#DEFINITION	Reference Metabolome for Salix chienii
#IDENTTFIER	RefMeta-Salix chienii.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Salix chienii
#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 Salix chienii 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	521.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03421	1.4
58.00583	2.9
59.01374	74.6
61.98824	19.2
68.88165	1.2
71.00985	2.5
71.01373	46.2
72.99307	4.2
73.02950	11.7
75.00896	1.3
79.86861	1.3
83.01377	3.5
83.04992	1.4
85.02940	8.8
87.00863	5.2
88.82336	1.3
89.02436	64.2
93.03439	5.8
95.01342	2.0
96.96004	7.2
97.02935	1.4
99.00867	19.7
99.04527	1.7
101.02432	31.4
109.02942	4.3
111.04467	1.1
113.02435	15.2
117.03384	1.8
119.03484	13.1
121.02959	2.7
123.04545	1.4
125.02411	5.7
130.02188	1.7
131.03494	10.5
135.04526	2.7
137.02385	3.1
143.03435	2.7
145.02927	7.1
149.04532	28.2
156.23802	1.4
161.04552	4.4
163.03949	3.2
173.04486	1.7
175.03993	1.8
179.05563	4.1
187.03920	1.4
191.05620	8.7
221.06569	2.5
251.07645	4.4
285.03903	1.4
293.08795	1.7
329.19397	2.1
337.09079	3.5
359.27930	3.0
461.23871	100.0
462.23926	8.4
521.24634	2.2
521.32367	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61130	0.3
55.01870	0.8
57.03431	0.7
58.00583	0.3
59.01374	20.2
61.98820	2.2
69.34073	1.3
69.34507	1.3
71.01376	8.9
72.99300	0.9
73.02943	2.6
74.76901	0.3
83.01378	2.1
85.02953	3.1
87.00867	1.0
89.02431	2.9
93.03434	0.9
95.01373	0.3
96.95994	0.8
97.03011	0.4
99.00857	0.9
101.02435	6.6
102.31641	0.3
108.02223	0.3
109.02945	1.1
111.00852	0.3
113.02438	3.1
117.03474	0.6
118.43719	0.3
119.03496	0.9
121.02934	1.1
123.04504	0.4
125.02411	1.3
127.04128	0.3
127.11208	0.3
133.02945	0.5
134.03720	0.8
135.04533	0.5
137.02428	0.9
145.02910	1.3
160.01666	1.9
161.02388	0.8
161.04491	0.7
163.03960	0.4
165.05446	0.4
167.03456	0.5
173.11826	0.3
175.03993	2.1
177.01942	1.0
179.03394	0.5
181.05048	0.9
183.10141	0.6
187.07603	0.8
192.05898	0.3
193.05009	0.7
211.18344	0.3
235.06126	0.5
257.08044	0.3
295.07983	0.4
311.22131	0.4
313.23904	1.6
337.09280	2.1
341.26849	3.2
357.26379	0.5
359.27957	17.0
360.28497	1.5
368.75253	0.4
373.29291	0.5
375.10709	0.5
461.24121	0.3
503.31943	1.2
521.33228	100.0
522.33624	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2018
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
52.71917	0.4
55.01855	0.5
59.01369	4.7
69.79810	0.4
71.01373	5.1
71.32217	0.6
73.02937	1.6
81.03427	0.4
83.01358	0.5
85.02943	2.6
87.03287	0.4
89.02429	1.8
93.03439	0.9
95.01399	0.7
96.95998	7.2
101.02424	2.9
104.67336	0.5
109.02955	1.3
112.28633	0.4
113.02428	2.0
119.03409	0.6
121.02947	3.5
122.03728	1.4
123.04534	2.0
125.02464	0.7
131.07098	0.5
136.05235	0.7
137.02422	1.9
143.05011	0.7
145.02994	0.6
145.06615	0.5
147.04517	2.3
149.02417	1.7
150.03230	5.2
151.03918	0.8
152.63676	0.5
158.03697	2.2
159.03171	0.7
159.04501	8.5
160.05283	24.3
161.04565	1.2
161.06032	6.0
163.03987	5.5
164.04764	5.1
173.06093	4.0
173.07431	0.6
175.07622	24.3
176.04755	0.5
176.07927	0.6
177.01956	0.6
177.05540	6.6
178.06322	6.7
189.05530	0.5
191.07092	0.7
192.07874	1.4
193.08708	2.7
193.69795	0.4
229.08641	0.8
241.05023	1.1
255.06569	0.7
273.07529	0.9
285.03915	1.2
299.09360	0.7
311.09149	0.5
313.10837	0.7
314.11755	0.9
329.13898	100.0
330.14291	5.3
341.13876	0.8
344.12592	2.9
359.14935	11.8
360.15216	0.8
466.94391	0.5
477.14594	0.5
521.20258	12.3
521.27759	0.9
522.20819	1.0
524.57935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18425	2.1
57.03450	3.6
58.00587	4.1
59.01372	100.0
61.98824	16.9
65.16495	2.0
69.03454	3.0
71.01377	92.2
71.63629	2.9
72.99308	4.9
73.02934	12.5
81.03450	4.0
83.01394	10.8
85.02955	17.0
87.00884	9.3
89.02438	99.9
93.03463	5.8
95.01392	5.8
96.96011	6.0
97.02952	5.4
99.00853	3.6
99.04526	3.3
101.02437	39.2
108.02156	20.4
109.02961	16.6
111.00876	4.7
113.02436	18.5
117.03458	21.1
119.03492	6.7
119.05016	20.5
120.99551	2.6
121.02953	4.1
123.04515	58.2
125.02432	25.6
127.04054	2.2
131.03499	26.7
134.03732	2.8
135.04536	2.9
136.52113	2.1
137.02425	8.3
143.03494	2.7
145.02940	84.3
145.49586	2.3
147.93480	2.0
149.04550	47.4
151.51117	2.2
152.01135	20.3
153.01938	13.0
153.05560	67.9
160.01643	4.1
161.04608	5.2
161.05991	4.1
163.04001	18.6
164.04781	5.2
167.03448	8.0
167.10765	99.2
168.11105	3.9
175.03909	2.5
177.01994	2.8
179.03459	5.2
179.07147	4.7
179.10762	7.2
191.05670	11.3
205.05060	4.1
218.35101	2.0
233.06728	3.7
255.06606	2.7
293.08780	64.7
294.09271	4.5
315.14792	2.1
315.18134	9.8
357.15723	4.1
359.27963	3.9
375.16586	37.4
461.24255	15.0
477.17322	8.3
477.22104	5.6
503.19345	19.7
521.19849	36.9
521.32330	19.2
522.10651	3.0
522.32001	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	521.2021
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
53.20345	0.2
59.01335	1.0
60.87791	0.2
64.62920	0.2
67.98180	0.2
71.01381	1.7
71.62810	0.3
73.02901	0.4
85.02901	0.9
87.88111	0.3
89.02420	0.4
92.11864	0.2
96.95972	0.6
101.02447	1.1
108.02165	1.1
109.02943	13.7
113.02390	0.7
120.99631	0.3
121.02890	0.3
123.04501	1.2
125.02387	0.4
137.02383	0.5
145.74452	0.2
147.04387	0.3
148.53729	0.2
158.03741	0.4
159.04489	5.6
161.04471	0.8
161.05962	0.6
171.04425	0.3
173.06071	5.0
177.01930	0.3
185.05911	0.3
188.04834	0.3
189.05559	4.4
190.06209	1.0
191.05637	0.3
191.07106	2.7
195.04536	0.3
201.05659	0.2
203.07140	2.6
205.08603	0.5
213.05511	0.8
219.06494	0.3
224.04858	0.3
225.05550	0.5
240.04214	1.9
241.05042	9.0
242.05374	0.6
251.07045	0.4
255.06610	6.7
256.07101	0.9
265.08655	0.9
267.06540	0.9
269.08182	1.7
271.09775	0.3
280.07202	0.2
281.08151	0.9
283.09528	0.6
295.09711	0.8
296.10455	0.4
298.08429	1.0
299.09207	7.9
300.09570	0.6
311.09695	0.3
313.10773	10.2
314.11304	0.4
326.11658	0.5
327.12384	0.7
328.09497	0.3
329.06400	0.3
329.10272	5.0
330.10699	0.4
343.11868	2.8
344.12592	35.6
345.12955	2.1
359.14957	100.0
360.15314	5.8
370.98602	0.2
431.14847	0.5
521.20288	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	521.2025
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01879	1.1
58.00587	4.9
59.01373	100.0
61.98817	0.8
69.39837	0.7
71.01376	71.9
71.62609	0.7
71.62984	0.8
72.01715	0.9
72.99308	4.1
73.02946	3.2
81.80415	0.7
83.01392	2.1
84.95354	0.7
85.02937	12.0
87.00862	4.3
89.02436	91.2
91.01839	0.7
93.03417	0.7
95.01392	4.1
96.96014	1.8
99.04511	0.8
101.02435	38.6
108.02168	1.2
109.02947	3.3
113.02441	27.0
116.10261	0.8
119.03493	41.3
120.03883	0.9
121.02975	2.6
122.03742	1.0
123.04524	1.9
125.02471	1.9
127.07714	0.6
131.03519	4.3
137.02432	1.3
137.06065	1.0
139.11301	1.0
143.03497	8.8
145.02956	1.0
149.04549	3.7
150.03232	1.5
151.04059	0.9
159.04544	3.2
160.05283	7.3
161.02455	0.9
161.04561	8.1
161.06071	2.2
163.04027	0.8
165.05566	1.0
171.04683	0.7
172.05275	4.3
173.06082	3.3
175.04025	0.8
175.07657	3.4
175.61621	0.7
177.01898	1.3
179.05594	22.8
179.07167	1.2
183.10291	2.4
187.07631	2.1
189.05556	7.7
190.06332	9.5
191.05559	1.0
197.11856	2.6
204.07870	1.0
205.08693	7.7
225.11284	1.9
256.07388	0.7
281.08273	2.9
295.09705	0.8
296.10571	4.1
297.91931	0.8
311.12817	5.1
329.13864	3.7
341.13910	31.2
342.14215	1.5
486.55060	0.8
521.20300	13.7
522.20978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
62.74008	0.3
69.09293	0.3
69.54694	2.4
71.01371	2.8
73.02932	0.8
74.99109	0.4
77.91817	0.3
83.01376	0.4
83.92503	0.3
85.02930	1.0
89.02454	0.4
91.01624	0.3
91.89592	0.3
93.03445	0.5
95.01372	0.4
96.95982	1.9
101.02462	1.6
108.02151	0.3
109.02956	0.7
113.02417	0.6
121.02942	3.8
122.03718	1.2
123.00829	0.9
123.04517	0.8
124.01580	0.6
135.04448	0.4
136.01581	0.5
136.05286	1.2
137.02438	0.5
137.06050	0.3
143.05009	0.7
145.02939	0.8
146.03723	0.5
147.04517	2.0
149.02405	1.3
150.03203	4.3
158.03728	2.4
159.03145	0.7
159.04491	7.8
160.05278	25.4
161.04543	1.3
161.06039	6.9
162.03151	0.4
163.03989	4.0
164.04770	4.3
168.04332	0.4
168.09175	0.3
173.06026	3.3
174.06770	0.7
175.07619	23.3
176.04810	0.5
176.08006	0.9
177.05545	5.8
178.06337	9.0
179.03427	0.4
183.10213	0.8
191.07179	0.4
192.07913	1.8
193.08673	3.0
236.85641	0.3
314.11493	0.6
329.13885	100.0
330.14218	6.5
359.15009	4.7
503.14352	0.3
521.19812	2.0
522.20490	0.4
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	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01870	1.7
57.03429	1.0
58.00579	1.1
59.01374	24.3
67.34422	0.3
71.01376	17.3
71.63192	0.5
72.99295	1.7
73.02943	3.8
73.13178	0.3
79.95715	0.3
83.01375	2.7
85.02941	8.5
87.00862	1.8
89.01899	0.6
89.02429	8.5
95.01382	1.9
96.96001	14.6
97.02943	0.4
98.95588	0.6
99.00848	1.2
101.02437	11.7
108.02169	1.4
109.02941	5.7
111.00832	0.7
112.02409	0.4
113.02428	5.3
117.03441	0.4
118.10920	0.4
119.03505	3.5
119.05000	0.7
121.02901	0.4
123.04503	1.0
125.02374	0.9
131.03499	0.4
131.07106	1.0
131.15781	0.4
136.99130	0.5
145.02945	1.5
147.04506	0.5
159.04521	2.8
160.05267	0.4
161.02414	0.5
161.04605	0.7
161.06039	0.6
163.04012	0.9
165.05455	0.6
167.07176	0.4
172.05231	0.7
173.06035	2.5
175.03877	0.4
177.01917	0.4
179.05537	0.6
183.10074	0.4
187.07581	0.9
189.05511	1.7
190.06404	0.3
191.05576	0.8
191.07150	1.1
201.05472	0.4
203.07063	1.1
205.08618	0.4
225.05453	0.5
225.11124	0.4
235.06126	0.4
240.04242	0.7
241.05025	4.9
241.10768	0.8
253.05017	0.7
255.06709	2.0
256.07214	0.5
267.06778	0.4
268.07339	0.9
269.07996	0.4
281.08139	1.7
283.09695	1.3
295.09808	1.7
296.10626	0.5
299.09216	2.6
311.09317	3.8
311.12579	0.9
312.09836	0.5
313.10825	5.2
315.06873	0.3
325.10556	0.5
326.11691	3.0
327.12012	0.6
329.10251	1.8
329.14035	1.5
337.07779	2.0
341.13943	2.8
343.11862	0.8
344.12579	17.1
345.13187	1.8
359.14957	41.7
360.15256	2.5
480.50641	0.4
503.15387	0.8
521.20209	100.0
522.20569	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	521.1655
Annotation	3,15-Di-O-acetylbruceolide
Peak:m/z	Relative Intensity
55.01861	1.2
55.47703	0.5
57.03439	0.8
59.01368	6.8
61.98814	0.6
69.03452	0.8
69.48602	3.6
69.49008	1.0
71.01376	8.6
72.99303	1.0
73.02929	3.0
73.96361	0.6
75.00917	0.7
81.03456	2.8
83.01353	1.4
85.02938	6.0
87.00871	1.3
88.27425	0.6
88.98812	0.6
89.02436	2.4
93.03448	2.4
93.04342	0.6
95.01382	4.2
96.95983	2.2
99.00877	1.1
101.02428	5.1
107.01337	0.8
108.02160	100.0
109.02943	68.5
110.03297	1.2
113.02434	3.1
119.03499	0.8
121.02943	1.6
123.00858	3.8
123.04526	1.1
125.02415	1.2
133.02939	1.5
134.03714	1.1
135.04530	1.1
135.11807	2.0
137.02409	0.8
145.02962	0.8
147.04541	0.7
151.04036	1.5
152.01129	96.3
153.01920	35.7
153.05544	0.7
160.01601	1.1
161.02435	0.9
161.04536	1.5
161.09706	1.6
163.04001	2.1
165.01955	1.3
165.05533	1.7
166.05942	0.8
167.06004	0.6
175.03944	1.8
177.01878	3.7
178.76210	0.7
179.10751	3.7
185.09343	0.6
209.33023	0.5
225.03931	0.6
259.55792	0.6
297.06104	0.8
315.07135	3.6
359.27890	2.0
416.63843	0.6
477.17578	66.5
478.18002	4.8
503.15518	3.4
509.08179	0.7
520.31757	1.0
521.16504	95.5
521.32990	12.5
522.16852	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	521.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65220	0.5
55.01885	0.9
57.03441	1.2
59.01373	8.3
60.51921	0.5
61.98819	1.5
69.03460	0.7
71.01373	10.9
72.99306	1.3
73.02937	3.7
75.00879	0.6
81.03459	2.0
83.01373	1.5
85.02945	10.0
87.00879	1.0
89.02430	3.9
93.03443	2.0
95.01398	4.0
96.96008	2.4
99.00890	1.4
101.02441	7.3
107.05016	0.8
108.02164	95.2
109.02945	64.6
110.03293	1.0
111.04491	0.6
113.02446	5.0
119.03496	1.3
119.05054	1.3
121.02956	2.4
121.05241	0.5
122.03735	0.5
123.00871	3.7
123.04520	1.6
125.02424	1.8
129.01900	0.6
132.02182	0.5
133.02950	1.1
135.00920	0.6
135.04446	0.9
135.11771	1.6
137.02460	1.4
141.13039	0.5
145.02943	1.3
147.04520	1.6
148.04883	0.7
151.04030	1.5
152.01135	100.0
153.01921	34.9
153.05542	1.1
154.02292	0.7
160.01637	1.4
161.02451	0.6
161.04530	1.8
161.05852	0.6
161.09676	1.3
163.03981	2.1
165.01935	1.5
165.05540	2.6
166.05882	1.2
167.03424	0.8
167.06122	0.6
169.04955	0.5
170.01050	0.6
175.04021	1.6
177.01888	3.9
179.05627	0.6
179.10762	5.0
187.12872	0.5
191.05655	1.3
193.05185	0.7
195.02905	0.7
201.14955	0.9
225.04025	0.8
278.95938	0.6
293.08777	0.5
297.06265	0.5
297.11450	0.6
315.07236	3.6
323.15057	0.6
358.26825	0.9
359.28143	3.1
459.16299	0.7
477.17587	64.4
478.17944	5.3
490.37027	0.5
503.15762	3.0
520.31964	1.7
521.16522	94.4
521.33069	25.2
522.16907	7.6
522.33649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03426	0.6
59.01088	0.3
59.01371	4.2
61.98820	1.5
69.03439	0.3
71.01377	4.8
71.72425	0.2
72.99307	0.5
73.02934	1.0
75.00848	0.4
78.95888	0.8
79.95729	2.8
82.48764	0.2
82.57496	0.2
83.01383	0.8
85.02943	2.2
86.75579	0.2
87.00863	0.7
88.98813	0.2
89.02429	1.6
89.53017	0.2
93.03423	0.3
95.01360	0.4
96.96001	100.0
99.00875	0.6
101.02433	2.8
108.02131	0.3
109.02942	0.4
113.02420	1.5
117.03467	0.7
119.03473	0.7
119.05008	0.6
121.02957	0.5
123.04481	0.4
125.02423	0.7
131.03508	0.2
131.07146	0.2
133.02956	0.6
134.03720	0.2
135.04527	0.4
137.02425	0.6
138.73277	0.2
143.03458	0.3
145.02934	2.2
152.01134	0.2
155.10735	0.2
159.02995	0.2
160.01674	0.8
161.02431	0.3
161.04477	0.5
163.03960	0.5
163.06085	0.3
167.03510	0.7
171.10258	0.8
175.03966	0.7
177.01880	2.2
178.02733	0.2
179.05539	0.3
181.05048	0.3
189.52336	0.2
191.05562	0.8
193.01364	0.3
193.05061	0.9
195.06606	0.2
201.14923	0.3
211.13435	0.2
249.06059	0.6
271.13760	0.5
273.07724	0.6
359.28000	2.4
375.16815	0.7
387.14099	0.2
503.19333	0.3
520.31622	0.3
521.20215	2.3
521.33301	14.4
522.33661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03426	0.6
59.01088	0.3
59.01371	4.2
61.98820	1.5
69.03439	0.3
71.01377	4.8
71.72425	0.2
72.99307	0.5
73.02934	1.0
75.00848	0.4
78.95888	0.8
79.95729	2.8
82.48764	0.2
82.57496	0.2
83.01383	0.8
85.02943	2.2
86.75579	0.2
87.00863	0.7
88.98813	0.2
89.02429	1.6
89.53017	0.2
93.03423	0.3
95.01360	0.4
96.96001	100.0
99.00875	0.6
101.02433	2.8
108.02131	0.3
109.02942	0.4
113.02420	1.5
117.03467	0.7
119.03473	0.7
119.05008	0.6
121.02957	0.5
123.04481	0.4
125.02423	0.7
131.03508	0.2
131.07146	0.2
133.02956	0.6
134.03720	0.2
135.04527	0.4
137.02425	0.6
138.73277	0.2
143.03458	0.3
145.02934	2.2
152.01134	0.2
155.10735	0.2
159.02995	0.2
160.01674	0.8
161.02431	0.3
161.04477	0.5
163.03960	0.5
163.06085	0.3
167.03510	0.7
171.10258	0.8
175.03966	0.7
177.01880	2.2
178.02733	0.2
179.05539	0.3
181.05048	0.3
189.52336	0.2
191.05562	0.8
193.01364	0.3
193.05061	0.9
195.06606	0.2
201.14923	0.3
211.13435	0.2
249.06059	0.6
271.13760	0.5
273.07724	0.6
359.28000	2.4
375.16815	0.7
387.14099	0.2
503.19333	0.3
520.31622	0.3
521.20215	2.3
521.33301	14.4
522.33661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03426	0.6
59.01088	0.3
59.01371	4.2
61.98820	1.5
69.03439	0.3
71.01377	4.8
71.72425	0.2
72.99307	0.5
73.02934	1.0
75.00848	0.4
78.95888	0.8
79.95729	2.8
82.48764	0.2
82.57496	0.2
83.01383	0.8
85.02943	2.2
86.75579	0.2
87.00863	0.7
88.98813	0.2
89.02429	1.6
89.53017	0.2
93.03423	0.3
95.01360	0.4
96.96001	100.0
99.00875	0.6
101.02433	2.8
108.02131	0.3
109.02942	0.4
113.02420	1.5
117.03467	0.7
119.03473	0.7
119.05008	0.6
121.02957	0.5
123.04481	0.4
125.02423	0.7
131.03508	0.2
131.07146	0.2
133.02956	0.6
134.03720	0.2
135.04527	0.4
137.02425	0.6
138.73277	0.2
143.03458	0.3
145.02934	2.2
152.01134	0.2
155.10735	0.2
159.02995	0.2
160.01674	0.8
161.02431	0.3
161.04477	0.5
163.03960	0.5
163.06085	0.3
167.03510	0.7
171.10258	0.8
175.03966	0.7
177.01880	2.2
178.02733	0.2
179.05539	0.3
181.05048	0.3
189.52336	0.2
191.05562	0.8
193.01364	0.3
193.05061	0.9
195.06606	0.2
201.14923	0.3
211.13435	0.2
249.06059	0.6
271.13760	0.5
273.07724	0.6
359.28000	2.4
375.16815	0.7
387.14099	0.2
503.19333	0.3
520.31622	0.3
521.20215	2.3
521.33301	14.4
522.33661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28543	0.7
58.00588	0.6
58.53437	0.7
59.01377	3.3
61.98822	4.4
71.62797	0.8
78.95895	43.8
83.79098	0.6
96.96966	6.0
113.05270	0.7
125.02392	0.8
150.97964	1.8
152.99568	100.0
153.99976	1.5
167.04926	0.7
171.00661	3.8
172.17064	0.9
236.92085	0.7
279.23401	1.5
433.23550	28.9
434.23895	2.1
459.60165	0.8
474.32651	1.0
519.33014	3.4
520.06738	0.8
520.26593	5.2
520.33569	32.1
521.33899	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
61.98825	100.0
67.51167	0.2
70.99479	0.5
76.76311	0.2
78.45120	0.2
81.52769	0.2
85.02432	0.2
96.64532	0.2
100.57689	0.2
122.62641	0.2
124.34798	0.2
156.11307	0.2
163.64865	0.2
222.57109	0.2
414.62842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.3
59.01372	2.6
60.66933	0.2
65.16890	0.2
69.03469	0.3
71.01374	2.0
71.62798	0.4
71.65710	0.2
73.02944	1.1
74.99084	1.1
78.95898	1.7
79.95731	3.6
83.01372	0.4
85.02953	1.2
87.00876	0.4
89.02441	1.2
96.96001	100.0
101.02441	1.6
101.36822	0.3
103.55011	0.2
109.02959	0.3
113.02441	0.7
117.03477	0.2
121.02957	0.2
123.04502	0.5
125.02413	1.2
131.03468	0.4
131.07120	0.5
136.01657	1.1
136.99130	0.8
137.02422	0.3
139.11293	0.3
145.02924	0.6
149.04588	0.4
151.00395	0.2
151.03966	1.7
157.67831	0.2
161.02446	0.3
161.04556	0.6
161.05959	0.4
165.02037	0.3
181.08699	0.3
183.10265	2.1
191.05545	0.6
195.06628	0.3
205.05159	0.3
208.70042	0.2
232.51085	0.2
235.08217	0.8
251.11382	0.6
265.07047	0.2
284.03333	0.6
285.03922	1.0
286.04242	0.3
287.04578	0.8
289.07315	0.3
299.41507	0.2
329.13739	1.8
359.14969	0.9
393.11713	0.4
401.89462	0.2
403.15894	0.4
447.09442	0.5
449.10016	0.7
461.20151	0.9
521.15332	0.4
521.21729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3319
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
52.11880	0.8
59.01377	1.5
60.86259	0.7
61.98829	2.0
71.42043	1.4
73.02918	0.8
96.95995	1.2
96.96953	0.9
96.99461	0.8
152.99573	2.0
215.92038	0.9
233.28494	0.9
296.54358	0.9
383.29422	1.2
409.31516	1.0
427.32278	1.4
473.32727	4.7
501.32745	1.2
509.76642	1.1
519.33234	100.0
520.33582	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52377	0.8
58.00575	1.0
59.01377	3.5
61.98819	3.2
66.67907	0.7
70.73556	2.4
72.99288	1.1
78.95891	10.8
96.95994	0.8
96.96924	1.3
101.27790	0.7
105.24960	0.7
122.09313	0.9
126.90461	0.8
128.75488	0.8
152.99571	23.0
153.99881	3.2
160.80690	0.8
171.00603	0.8
171.43547	0.7
329.21014	0.8
335.12817	0.7
413.30496	1.1
432.22162	4.8
443.31390	1.1
453.29938	1.3
473.32675	2.3
491.28824	0.8
501.32159	5.7
519.33173	100.0
520.33533	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	520.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42607	0.2
58.37798	0.2
59.01375	2.3
61.98824	100.0
63.74359	0.2
66.28216	0.2
70.16578	0.7
70.16977	0.3
71.01382	1.1
73.02940	0.5
85.02958	0.4
87.00880	0.4
88.98817	0.3
89.02441	1.0
93.03455	0.4
96.96017	1.2
101.02421	0.7
109.02977	0.3
113.02429	0.3
114.36959	0.3
120.99606	0.3
125.02437	0.9
126.02792	0.3
135.04553	0.5
137.02435	0.4
144.11484	0.2
151.00403	0.4
167.03482	0.4
191.03690	0.3
191.05626	0.7
260.06525	0.5
295.09814	0.4
299.05719	0.5
315.08856	0.5
325.09570	0.3
387.16714	0.4
405.69342	0.3
520.21509	1.0
521.21545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3318
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
56.35848	0.2
58.00588	2.1
59.01094	0.2
59.01374	3.3
61.98814	0.6
69.91932	0.2
71.05029	0.3
71.17200	0.4
72.99295	0.6
78.95901	1.0
81.25352	0.2
87.04488	0.6
96.56425	0.2
96.96017	0.2
107.03590	0.2
152.99577	2.3
170.02553	0.2
229.01871	0.2
233.15375	1.0
241.35806	0.2
245.40517	0.2
267.96780	0.2
279.23511	0.2
387.92883	0.2
401.30417	0.3
413.30600	0.2
433.23569	0.7
443.31433	0.8
453.29831	0.6
455.31375	0.3
459.35101	0.2
473.32764	1.9
474.32440	0.2
501.32187	4.2
502.32364	0.4
519.33179	100.0
520.33557	10.0
520.39832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19699	0.2
67.26802	0.2
71.05008	2.4
72.99279	0.6
73.02937	0.2
80.44335	0.2
83.05006	0.3
92.35445	0.2
97.06548	0.2
98.20704	0.4
108.93755	0.1
109.06562	0.2
111.08092	0.2
205.15865	0.2
209.38991	0.2
229.83807	0.2
283.20709	0.4
289.21732	1.5
303.23236	1.5
327.23203	0.4
360.11075	0.2
367.30072	0.3
369.27948	0.2
371.29404	0.3
373.31052	0.9
383.29486	1.1
385.31171	1.9
386.31821	0.2
387.29340	0.3
401.30566	3.4
402.30563	0.3
409.31403	0.3
415.31824	0.3
417.33267	0.3
427.32095	4.6
428.32346	0.7
429.34045	2.0
445.33115	2.1
473.32654	7.4
474.32999	0.6
501.32324	1.2
519.33179	100.0
520.33521	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	519.3169
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
51.36168	0.6
57.03439	0.9
58.00600	0.6
59.01371	16.0
61.98824	5.3
68.99807	0.6
71.01380	10.1
71.63380	0.8
72.99320	0.4
73.02937	2.4
83.01376	1.7
85.02937	3.5
87.00877	1.2
89.02435	4.0
95.01382	0.8
98.85505	0.5
99.00889	0.6
101.02433	6.9
103.88660	0.4
108.04563	0.4
111.00826	0.6
113.02439	3.6
117.03488	1.1
119.03487	1.4
121.02943	0.5
125.02435	1.1
137.02406	0.8
137.09799	0.5
145.02928	3.6
147.04507	1.3
152.01170	0.5
159.03006	0.5
161.02367	0.5
163.03978	0.6
165.72664	0.4
175.03960	0.7
179.10789	0.7
181.06989	0.7
187.07605	1.8
211.13322	0.5
215.07112	0.9
220.06322	0.5
257.08237	1.8
309.24252	3.2
321.24387	0.6
325.23740	0.5
327.25400	8.0
339.25336	10.9
340.25720	0.9
341.26892	1.4
355.24866	0.5
357.26437	30.7
358.26779	1.5
375.27866	1.2
399.27512	1.0
475.19434	1.0
483.22446	0.8
489.30692	0.9
501.30719	0.7
519.31671	100.0
520.32104	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	519.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	29.2
61.98818	39.9
68.99561	65.1
69.29063	54.1
69.29498	53.1
77.17760	12.7
90.77612	11.8
96.96000	24.5
98.20644	24.4
112.98560	100.0
163.01662	13.3
175.92326	11.5
217.68294	12.1
219.90726	11.1
234.45253	11.7
405.26132	23.9
519.33344	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2958
Annotation	C11300
Peak:m/z	Relative Intensity
51.05814	0.3
57.03428	0.3
59.01378	2.1
61.98818	0.7
69.03428	0.3
71.01368	0.9
71.04992	0.5
71.63228	0.4
72.99295	3.5
73.02948	0.4
75.00864	0.8
83.58252	0.3
85.02925	0.5
85.06558	0.3
87.04515	0.8
89.02435	0.6
93.03432	0.3
101.02428	1.0
111.97565	0.2
113.02465	0.4
114.23830	0.3
122.01332	0.3
125.02466	0.6
125.09727	0.4
131.07117	0.8
132.77989	0.3
139.11273	0.4
145.02937	0.7
151.00285	0.4
151.03955	0.5
178.99867	1.2
179.03540	0.3
195.13937	0.5
205.12346	0.4
217.15941	0.6
219.13918	0.9
223.13374	6.0
225.11299	0.9
235.17024	2.9
253.09204	0.9
275.14670	0.3
301.21872	0.5
355.26471	0.4
357.26538	0.9
371.25711	0.3
377.24573	0.3
385.27417	1.6
395.25842	0.8
399.28839	0.6
401.30673	0.8
409.27286	0.4
411.29086	3.5
427.28949	0.3
429.30228	2.0
439.28305	2.2
443.27695	0.4
457.29553	6.5
458.29782	0.7
459.22253	0.6
473.29053	2.9
475.30603	0.9
501.28555	6.2
502.28540	0.7
519.29584	100.0
520.22369	0.6
520.29944	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	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06758	0.5
57.03438	1.4
59.01374	22.6
61.98824	4.7
69.03449	1.6
71.01376	7.7
71.05003	0.9
71.63154	0.5
72.99311	1.7
73.02939	2.5
79.02349	0.6
83.01376	1.5
83.05045	0.5
85.02954	2.9
87.00859	1.0
89.02430	6.0
93.03441	1.5
95.01375	0.6
99.00861	1.6
101.02449	6.7
106.63890	0.6
107.01363	1.2
109.02914	1.1
109.06580	0.6
113.02422	3.0
116.92881	1.2
117.03489	0.8
119.03502	1.3
119.04966	1.1
120.99663	0.8
121.02901	1.0
123.04509	0.7
124.01595	0.7
125.02438	4.4
131.07135	1.2
135.04509	3.6
136.01686	1.2
136.07675	1.8
137.02454	1.3
145.02956	4.9
151.00375	4.6
151.03964	2.6
151.07649	1.0
152.01163	0.6
154.00929	0.6
160.01657	0.8
160.07843	0.5
161.02411	1.1
161.04521	2.5
163.03998	1.0
167.03528	0.9
167.10745	2.3
175.04036	1.1
178.99829	3.3
179.03503	1.6
179.05655	1.3
179.10748	1.6
179.14342	3.0
183.10196	0.7
191.03418	0.5
191.05499	1.1
195.06609	2.5
195.13863	9.4
205.12320	10.1
223.13365	100.0
224.13698	3.4
225.11284	0.9
235.08141	0.8
235.16862	0.9
253.09268	15.5
287.05630	3.3
305.04770	1.2
339.25366	0.8
357.26474	5.1
375.27548	1.0
411.28882	1.9
413.07004	2.3
439.28030	0.6
439.69217	0.6
444.19205	1.3
457.29651	1.9
459.22366	13.9
460.22964	0.7
473.29126	0.9
488.18060	0.8
501.08185	1.0
501.28580	2.0
512.83301	0.7
519.29968	34.1
520.30273	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	519.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56492	0.3
59.01375	8.6
61.98820	5.2
69.33364	1.3
69.33791	2.1
71.01376	5.7
72.99330	0.7
73.02999	1.1
80.30323	0.4
83.01418	1.0
85.02946	1.9
89.02426	2.9
93.03452	3.6
95.01421	0.8
96.96004	3.1
99.00909	1.0
101.02439	3.9
101.03029	0.5
108.02239	0.5
109.02969	0.6
113.02457	3.6
117.03461	18.5
119.03536	1.4
119.05016	11.5
121.02968	1.5
123.04485	0.5
125.02455	0.6
132.05830	0.7
133.06610	1.6
135.04532	0.5
136.01665	0.5
136.07689	1.1
137.02431	7.3
145.02943	100.0
146.03296	2.1
147.04477	0.6
161.04694	0.8
161.06036	6.4
163.02702	0.8
163.03999	12.6
169.12354	0.4
177.05563	3.1
179.03400	0.5
187.03944	0.7
193.12286	0.6
205.05025	6.6
235.06133	2.7
239.05438	0.4
249.03094	0.9
257.07986	0.7
265.07178	4.0
324.13232	1.3
339.15671	1.6
357.05112	0.8
357.26099	1.4
362.98669	0.4
373.18268	0.7
382.24219	0.4
412.47784	0.4
444.19101	0.9
488.17648	0.5
519.21484	32.9
520.22028	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	519.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07162	1.3
51.50634	1.2
56.98026	25.4
57.03426	4.4
59.01374	26.2
61.98803	3.4
63.96239	15.0
67.51611	1.2
71.01373	18.7
71.62449	2.5
72.99275	3.0
73.02926	3.9
73.98300	2.8
74.99090	100.0
78.37490	1.3
83.04998	1.6
85.02945	9.6
87.00871	42.7
89.02428	8.7
95.01402	2.3
96.03496	1.7
96.95995	9.4
99.00885	1.7
101.02435	9.8
108.94085	1.2
109.02888	2.0
113.02431	12.2
117.03455	1.5
117.97305	42.4
118.98084	13.8
119.03557	1.9
119.05014	2.3
120.99651	2.3
121.06564	1.5
125.02426	4.8
135.98328	6.7
136.98080	2.4
136.99133	48.4
137.02397	3.4
137.09718	10.8
138.03246	1.4
143.03519	1.7
145.02921	5.8
149.02385	1.5
149.09645	4.0
160.08971	1.5
161.04546	3.5
161.09627	2.4
163.03920	1.5
168.04294	1.5
177.12770	5.4
179.05487	2.2
187.11218	3.8
189.12830	12.6
191.05540	3.6
201.12801	9.6
203.14363	11.1
203.17413	1.3
204.11530	6.9
213.12752	2.7
215.14430	1.5
217.12416	1.7
219.13864	62.4
220.14201	2.2
221.09930	3.0
233.10031	2.5
237.04318	22.2
241.08632	2.0
245.03821	1.4
245.15442	1.5
247.11542	19.5
249.06113	45.5
250.06456	1.4
251.11053	6.5
265.12628	2.9
269.12082	1.9
277.12689	2.1
281.03363	3.2
284.03278	4.3
285.03989	9.0
298.03583	12.0
299.04391	29.0
300.04749	2.0
330.09528	7.6
339.12607	20.5
342.11075	1.8
357.13394	5.9
358.18695	1.3
445.73352	1.6
447.09369	9.6
472.57208	1.5
475.08615	2.4
483.14496	4.5
519.19037	85.1
520.19885	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
58.00581	4.1
59.01373	100.0
61.98811	2.6
69.33813	12.8
71.01375	66.4
72.99310	5.3
73.02931	3.2
73.25419	1.3
75.00875	2.3
75.57543	1.4
77.56197	1.5
83.01384	1.4
83.92043	1.4
85.02942	10.6
87.00861	2.9
88.98782	2.2
89.02438	86.9
95.01375	3.3
96.96000	10.9
101.02430	34.1
108.02156	2.0
113.02432	27.3
119.03487	34.1
123.04525	1.9
125.02386	1.8
131.03497	2.6
135.04518	1.7
136.01628	2.9
143.03513	8.3
145.02928	4.0
148.47766	1.6
149.04497	2.4
151.04021	7.1
161.02438	3.9
161.04579	7.3
161.09727	2.3
163.04019	4.1
179.05588	13.7
179.10764	4.0
191.08633	1.9
203.07092	3.1
207.08098	2.6
209.21489	1.5
217.14513	3.2
219.08119	2.3
221.05952	1.7
233.05968	2.4
235.07614	6.0
241.14388	3.7
247.07498	2.2
249.96225	1.4
253.08600	4.8
262.05988	1.7
263.07114	18.2
264.07782	2.1
268.10699	2.2
275.07233	2.1
279.06699	1.7
281.08160	24.7
285.04065	2.7
291.06693	8.3
292.07263	1.8
293.08142	8.4
294.08862	3.7
296.10434	5.5
308.10431	7.7
309.07678	98.6
309.11111	5.9
310.07907	6.2
313.11066	1.7
323.09167	11.0
324.06091	2.8
324.09946	46.6
325.10031	2.0
339.12302	94.5
340.12628	8.4
357.13446	3.7
483.18369	1.7
501.18265	1.7
519.12567	3.0
519.20599	6.8
519.25427	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.1
58.00571	3.7
59.01373	74.5
61.98817	1.4
64.82875	1.2
65.52831	1.0
66.43861	1.2
70.90320	1.4
70.90638	2.3
71.01376	57.8
71.79247	1.3
72.99300	3.7
73.02942	4.7
76.91849	1.1
79.29908	1.2
83.01385	2.1
85.02948	8.1
87.00866	2.9
88.98800	1.7
89.02437	76.7
93.03434	1.5
95.01370	4.6
96.96012	9.5
101.02434	27.3
108.02168	2.1
113.02435	25.6
119.03490	28.8
119.04948	2.0
121.02943	2.5
123.04505	2.2
125.02441	2.2
131.03445	3.2
132.96443	1.2
135.04547	2.0
136.01588	3.6
137.02396	2.2
143.03467	4.8
145.02916	6.2
149.04529	2.6
151.03990	5.6
151.06105	1.7
161.02361	3.7
161.04523	5.2
161.09653	1.7
163.03969	3.4
177.05501	1.2
178.02663	1.5
179.05586	12.3
179.10744	5.5
193.05042	2.3
203.07072	2.0
205.04907	1.9
207.08125	1.4
217.06787	1.4
217.14398	5.2
219.08038	2.0
221.11855	1.5
234.07021	1.2
235.07544	3.5
237.09137	1.3
239.07103	1.3
241.14494	5.7
245.06009	1.4
247.07535	1.8
253.08583	5.1
263.07019	11.4
268.11121	2.0
281.08167	25.4
284.03156	1.8
285.04016	4.3
291.06451	7.4
292.07266	3.5
293.08105	8.9
294.08740	2.9
295.10110	2.3
296.10419	5.3
308.10587	4.2
309.07645	89.5
309.11005	3.9
310.07886	4.4
323.09085	9.4
324.09967	39.6
325.10388	2.3
339.12311	100.0
340.12732	5.9
357.13205	5.0
483.18539	1.9
519.12567	3.0
519.20221	4.9
519.24231	5.0
519.31586	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	517.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01709	0.6
61.98842	1.8
69.24657	3.2
71.92300	0.3
77.05484	0.3
79.27621	0.4
84.89500	0.3
98.09497	0.3
99.46502	0.3
140.34180	0.3
330.02463	0.3
459.18576	0.7
517.39032	3.4
518.19727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.9
61.98825	100.0
71.01377	2.4
71.62196	0.8
73.02940	2.2
79.95745	0.8
85.02958	1.2
87.00893	0.5
87.70203	0.4
88.98820	0.5
89.02452	1.9
93.03457	0.9
96.96007	10.1
97.02952	0.5
101.02437	1.3
109.02919	0.6
113.02434	1.3
117.03435	0.5
117.54514	0.4
119.03535	0.5
119.05027	1.7
120.99645	0.5
123.04485	0.5
125.02466	1.4
137.02415	0.7
139.11328	0.4
143.03583	0.5
145.02919	1.2
147.04573	0.4
149.02402	0.7
151.00279	0.6
161.02451	0.6
167.04738	0.4
179.03528	0.6
183.10231	0.7
191.05545	1.0
193.01436	0.8
241.10896	0.5
271.06357	0.6
271.09525	0.5
285.04147	1.7
295.10059	0.4
313.07159	4.8
343.08295	1.3
380.15662	0.6
380.57413	0.5
428.28317	0.5
475.12515	0.6
518.11566	3.7
518.18030	0.6
518.62115	1.8
519.12817	0.7
519.20422	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	519.1862
Annotation	Tetracentronside B
Peak:m/z	Relative Intensity
57.03444	1.2
58.00592	3.0
59.01372	100.0
68.86387	1.3
71.01373	69.7
71.63102	1.9
72.99300	4.9
73.02945	4.1
77.57698	1.1
77.58169	1.3
83.01372	1.9
85.02938	10.5
87.00861	3.9
89.02435	83.4
95.01376	4.0
96.39239	1.3
96.96008	2.7
101.02428	36.3
108.02158	7.5
113.02431	28.4
119.03493	29.8
123.04510	10.1
131.03477	5.3
133.04999	1.4
136.01642	8.4
137.02458	1.3
143.03447	8.1
143.07115	4.3
145.18108	1.5
149.04559	2.6
151.04002	12.2
155.10728	1.5
160.05276	2.7
161.02425	3.2
161.04517	9.4
167.03508	1.5
179.05602	20.3
179.10725	5.5
187.03906	3.1
188.04814	2.8
197.11890	1.3
203.07146	12.7
217.10759	2.5
221.11790	2.4
263.07169	2.0
279.06589	4.9
294.08972	3.1
295.10196	1.9
309.11230	8.9
339.12375	19.7
340.12534	1.6
357.13419	12.9
381.13293	1.8
400.39340	1.3
404.43140	1.5
436.79367	1.3
501.17834	3.3
519.12701	2.7
519.20905	9.7
520.20660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2804
Annotation	Sativanine B
Peak:m/z	Relative Intensity
55.58472	0.3
56.38987	0.3
59.01091	0.5
59.01375	6.2
61.98817	2.2
66.78699	0.3
71.01374	2.2
71.63701	0.4
72.99295	3.8
73.02937	1.6
75.00871	0.7
85.02940	1.0
87.04485	0.9
88.04660	0.3
89.02440	1.0
93.03422	0.7
95.01375	0.3
95.32642	0.3
99.54204	0.4
100.41637	0.3
101.02435	1.2
101.05996	0.4
111.35458	0.3
113.02430	0.7
117.03449	0.3
119.03475	0.4
119.04968	0.4
120.77159	0.3
121.02963	1.1
125.02454	0.5
132.02196	1.6
133.02908	0.7
134.03746	3.3
135.04527	0.6
137.02428	2.6
145.02959	2.0
147.04495	0.7
149.06023	1.0
160.01637	7.5
173.05994	0.4
174.06906	0.3
175.03983	7.5
176.04825	0.9
177.01927	0.6
178.02658	0.4
179.03436	1.5
183.49088	0.4
191.07068	2.2
193.05023	4.6
203.10745	1.4
209.04689	0.4
216.11508	5.6
229.12260	3.2
231.13947	2.1
233.15372	0.5
235.06104	4.9
239.05602	1.0
245.15474	0.4
265.07132	2.9
269.96997	0.4
295.08197	5.6
355.24783	1.5
363.23196	0.9
367.22769	1.0
369.24268	1.2
373.25934	3.5
379.22681	1.8
384.26633	1.8
393.24042	0.6
394.25067	0.8
395.22214	1.1
407.22250	2.8
409.27484	4.3
412.26273	0.8
422.24554	0.7
427.29004	1.9
437.27057	2.5
455.27927	6.8
456.28299	0.5
471.27399	3.7
473.29135	1.4
479.22137	0.6
499.26971	5.7
500.27460	0.4
517.28015	100.0
518.28387	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	517.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03437	1.6
59.01373	100.0
60.01679	0.7
60.89461	0.6
61.41836	0.6
61.98829	3.9
65.36674	0.6
68.97211	0.6
69.54131	2.2
69.54546	1.9
71.01376	16.8
71.70887	0.7
72.99306	1.2
73.02940	11.3
74.80259	0.6
75.00847	0.8
78.54620	0.6
83.01389	4.4
84.16366	0.6
85.02939	4.8
87.00896	1.2
87.04502	0.6
89.02437	9.4
93.03480	1.2
95.01402	1.8
96.96004	7.1
97.02943	0.8
98.95608	4.8
98.96459	0.9
99.00873	1.4
99.04514	1.7
101.02428	16.7
101.03079	1.1
107.35520	0.6
109.02962	1.4
111.00900	1.0
113.02453	8.3
116.43288	0.6
119.03477	3.7
119.05019	1.1
120.99686	0.8
121.02970	1.8
123.04491	1.4
125.02431	3.8
128.82549	0.6
131.03519	1.1
135.04503	2.2
141.32127	0.6
143.03506	3.7
145.02940	2.5
149.04532	3.1
150.82806	0.7
161.02478	1.4
161.04584	7.0
163.03999	1.1
171.10257	3.9
177.02029	0.8
179.03442	1.1
179.05614	2.2
183.10260	1.7
191.03551	0.8
191.05612	1.6
203.03447	1.0
205.05096	1.4
217.05157	0.8
221.06561	1.3
225.11377	0.6
231.03191	0.7
246.05537	0.8
265.07330	1.0
268.03809	0.9
311.14951	5.1
363.92435	0.7
373.25903	2.2
393.08322	1.2
413.15964	0.7
457.20557	9.7
458.21225	1.1
517.17023	1.2
517.30121	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	517.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80718	0.7
57.03431	1.1
59.01376	52.6
61.98825	5.5
69.32889	6.3
69.33212	0.9
71.01383	10.5
71.01763	1.3
72.99296	1.4
73.02937	3.0
74.99097	8.2
76.15382	0.7
83.01366	2.1
85.02929	3.0
87.00858	2.7
87.04485	0.9
89.02419	2.8
93.03474	0.9
96.67234	0.7
96.95956	0.7
97.02968	1.0
99.00887	0.9
101.02440	5.9
101.06067	2.7
103.05522	1.2
109.02913	2.1
109.06545	0.9
113.02435	3.5
115.05539	1.4
116.21948	0.8
117.03471	4.5
118.03848	0.6
119.05017	3.5
120.53992	0.7
121.02911	1.9
125.02461	5.8
131.05022	4.4
132.02196	0.7
133.02946	1.1
133.06590	2.0
134.03656	0.7
136.07683	0.8
137.02425	2.3
139.03928	1.0
143.04997	0.8
145.02933	15.8
145.06560	2.5
146.03270	4.6
147.04507	57.4
148.04834	1.5
149.02432	1.1
149.09616	1.0
153.01921	0.9
160.01622	2.5
161.04729	1.2
161.06064	32.7
162.06488	0.9
163.03992	3.0
163.11273	47.8
164.04785	7.9
164.11592	1.6
173.06088	0.8
175.03964	2.9
177.01962	3.6
177.05495	0.9
179.07121	4.1
189.05508	6.6
191.16953	0.8
193.04970	0.8
207.02934	3.3
207.10300	1.1
209.11766	1.3
225.03944	0.7
237.04417	3.9
251.16547	1.3
265.07019	1.0
285.04105	5.3
299.04279	3.4
327.16553	1.0
337.09204	5.9
355.11768	1.9
355.24774	1.8
365.09998	1.2
369.15521	9.1
372.81561	0.8
373.25571	1.2
410.09967	1.7
479.21783	6.6
486.16452	0.9
517.20691	100.0
517.29590	5.8
518.21130	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	517.2071
Annotation	NPC
Peak:m/z	Relative Intensity
57.24636	0.5
59.01374	52.5
61.98812	2.2
65.19208	0.5
71.01029	0.8
71.01375	8.1
71.56824	0.6
72.99271	0.6
73.02914	2.3
83.00837	0.6
83.01344	1.0
85.02930	1.6
87.00848	1.9
89.02434	1.0
91.73080	0.7
99.00880	1.1
101.02423	4.5
103.05520	1.5
109.02927	0.7
113.02416	1.8
115.05489	1.3
117.03438	2.1
117.75835	0.6
119.04987	2.2
125.02359	0.6
131.05013	2.8
133.06548	2.1
145.01845	0.9
145.02931	12.6
145.06577	1.3
146.03268	1.4
147.04512	56.6
147.12587	0.6
148.04828	1.9
149.99527	0.8
161.04778	0.7
161.06061	22.0
162.06363	0.8
163.03932	0.8
163.11263	5.1
173.06084	0.9
189.05562	5.7
207.10245	12.5
208.10661	0.9
355.11734	3.6
355.24799	2.5
369.15482	9.5
373.26190	0.9
479.22818	4.6
481.23404	0.8
499.19888	0.6
517.20648	100.0
518.20898	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	517.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03460	1.3
58.00604	2.0
59.01374	75.5
61.98818	2.0
68.31092	1.1
69.03444	8.6
69.41436	2.7
69.41835	9.3
71.01376	77.9
72.99306	3.6
73.02935	12.4
75.00879	3.4
79.95722	2.3
81.03457	5.2
83.01393	3.4
85.02947	11.2
85.59270	1.4
87.00880	4.1
88.98803	4.0
89.02435	83.2
95.01392	1.3
96.95999	13.3
97.02964	11.4
98.20641	2.7
99.00869	16.1
99.04486	1.7
101.02433	19.5
108.02132	1.3
109.02909	1.5
111.00861	1.7
113.02420	10.1
115.04021	8.1
116.26688	1.3
117.03449	3.0
119.03513	3.3
119.05005	3.4
121.02966	1.8
125.02432	45.1
131.03471	10.4
134.03708	2.5
135.04507	86.4
136.04860	3.9
143.03474	4.0
145.02946	11.9
148.05290	46.3
149.04558	17.0
160.01636	2.8
161.02344	1.6
161.04507	1.3
163.04047	2.3
163.07642	10.7
175.04068	1.6
175.05952	1.1
179.03481	100.0
179.10806	2.7
180.03853	3.5
191.05565	12.1
209.08162	2.9
233.06630	33.7
238.28395	1.2
257.08124	1.8
293.08746	91.5
294.09167	3.7
306.07532	1.3
307.08322	9.2
337.09064	1.9
457.17032	4.9
518.11871	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65876	0.3
59.01373	63.2
60.01693	0.3
71.56129	0.8
79.31628	0.4
85.98636	0.4
90.97153	1.0
108.64450	0.4
116.16984	0.3
118.96585	0.6
120.33507	0.4
132.98195	2.0
154.18272	0.3
156.99948	0.6
157.03554	0.8
167.64346	0.4
174.99226	27.4
175.99615	0.5
198.65372	0.4
201.02522	8.2
202.02733	0.7
217.00267	100.0
218.00688	2.0
284.45215	0.4
292.96243	0.6
359.01425	14.2
360.01776	1.0
374.99167	66.4
375.99698	1.8
456.99683	0.5
516.54572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65486	0.2
59.01373	1.7
61.98819	1.0
63.02391	1.0
65.00014	0.3
65.00326	1.0
69.77216	1.3
73.02938	0.4
83.01370	1.1
85.02940	0.3
89.02399	0.4
96.96006	0.9
99.55474	0.2
101.02431	0.6
105.03437	0.3
107.01385	2.9
111.09962	0.2
113.02453	0.4
115.07630	0.3
121.02929	0.4
125.02425	0.5
132.02115	0.5
133.02934	4.1
134.03734	1.4
137.02429	0.7
145.02948	1.3
148.01654	0.7
149.02391	1.3
149.06010	0.2
149.99573	0.4
151.00343	4.8
160.01607	0.3
161.04561	0.3
171.04453	0.3
172.05409	0.2
174.03033	0.2
175.03960	1.8
177.01855	0.6
183.04414	0.5
185.06038	0.4
187.03928	0.3
188.04768	0.4
195.04539	0.3
197.06047	0.3
199.03958	1.6
200.04680	0.6
201.01955	0.5
211.03886	1.2
212.04738	0.5
213.05466	0.4
214.02646	0.4
215.03452	0.5
217.04971	0.7
227.03488	2.3
228.04185	0.5
239.03345	0.6
241.05009	0.7
243.02986	0.5
255.02867	1.1
256.03699	4.8
257.04321	0.4
267.02988	0.4
283.02408	1.3
284.03220	75.0
285.03992	91.5
286.04379	3.8
297.03979	0.4
327.05005	0.9
373.25955	1.7
389.81229	0.3
517.13434	100.0
518.13812	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	515.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02680	0.2
50.45483	0.2
61.98840	0.5
62.66490	0.2
64.73189	0.3
69.25894	1.0
69.26315	1.3
83.79635	0.3
90.96972	0.2
96.32800	0.3
98.19862	0.4
103.39811	0.3
106.04224	0.7
107.05029	0.9
121.03003	0.3
161.09732	0.3
163.11272	30.8
164.11545	0.8
175.11273	1.5
176.12010	1.2
177.09227	0.4
177.12825	3.3
190.09973	0.9
201.12785	0.4
207.10231	0.7
208.11037	3.4
210.43791	0.3
267.13828	0.4
281.15375	1.5
282.16211	4.5
283.17001	5.1
293.15411	2.0
294.16177	0.5
295.17200	0.6
297.14899	0.3
336.20944	0.3
339.23233	100.0
340.23560	6.2
349.21701	0.6
351.23221	6.7
352.23639	0.5
395.31604	0.3
416.21231	0.3
515.35248	77.9
516.35577	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	515.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26009	0.3
56.58575	0.4
59.01383	2.1
60.93516	0.4
61.98828	0.7
63.78805	0.4
70.63129	0.9
71.01378	1.1
73.02942	0.9
74.16578	0.3
78.95905	1.8
79.95739	3.5
83.01366	0.6
85.02927	0.5
86.78040	0.4
88.98808	0.5
89.02415	0.4
96.38582	0.3
96.96003	100.0
96.96886	3.7
101.02425	0.9
113.02440	0.6
115.00352	0.9
121.02951	0.6
123.04490	0.4
125.02419	0.9
145.02934	1.5
147.08188	0.3
151.04092	0.4
163.03996	0.5
173.02402	2.5
174.01694	2.5
175.02394	0.5
177.01903	9.5
179.10834	0.4
191.05663	0.4
200.65698	0.4
201.05571	0.8
204.11942	0.4
205.12601	0.5
217.01387	1.9
245.28224	0.3
249.11316	0.4
264.12366	0.3
291.10400	0.4
423.16547	0.4
515.14801	0.6
515.21637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.2
57.03456	0.1
58.00608	0.1
59.01372	4.5
61.98842	0.1
69.03486	0.1
71.01377	3.8
71.63099	0.1
72.99329	0.2
73.02940	0.8
83.01382	0.5
83.05056	0.1
85.02939	0.9
85.03355	0.1
87.00859	0.5
88.41685	0.1
89.02435	2.8
90.02757	0.1
91.04025	0.1
95.01402	0.3
97.02972	0.2
99.00895	0.2
101.02436	3.8
103.04041	0.1
106.74143	0.1
111.04556	0.1
113.02436	1.7
115.04021	0.2
119.03503	0.8
125.02473	0.3
125.09789	0.1
129.01929	0.1
131.03517	0.1
133.05067	0.4
143.03476	0.4
149.04509	0.1
157.04971	0.1
161.04547	1.4
179.05553	0.5
235.08215	1.0
253.09254	14.1
254.09506	0.3
261.22171	0.4
272.65833	0.1
279.23242	100.0
280.23596	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	515.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.1
59.01088	1.0
59.01373	16.9
61.98829	7.4
63.04869	0.5
69.03469	0.5
69.63198	0.5
71.01385	2.2
71.63429	0.6
71.63810	0.5
79.95770	0.7
81.03460	3.9
83.01376	17.1
83.01868	1.1
83.04963	0.5
85.02938	0.9
87.04514	1.9
89.02461	1.0
93.03460	0.8
93.11584	0.6
96.96001	22.3
97.02957	0.9
99.04490	1.0
101.02430	1.9
101.06091	0.7
103.03992	1.7
109.02923	0.8
113.02464	1.2
117.32439	0.6
120.31686	0.5
125.02432	100.0
126.02751	2.6
127.04056	0.8
137.02373	1.1
139.07634	0.6
139.11258	1.2
145.02922	1.7
149.02422	4.7
165.12839	2.1
179.10757	1.0
181.08589	0.6
181.15958	6.0
183.10263	2.8
183.13870	7.0
205.15900	1.0
207.13885	11.6
209.11749	1.6
223.17038	2.9
225.14920	6.4
247.16960	1.8
249.11328	0.7
249.14943	5.9
265.18024	5.5
291.16058	2.3
293.13928	9.9
294.14203	0.7
317.13828	2.6
333.06683	0.7
335.14932	2.8
349.18823	0.9
353.15994	92.1
354.16275	4.7
371.24420	0.9
377.16043	1.9
395.16943	5.3
396.17194	0.7
455.19089	0.7
477.21820	1.0
515.21240	38.3
516.21631	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	515.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98823	4.1
66.17445	0.2
70.63280	0.6
71.01379	0.7
73.02943	0.5
78.95885	1.4
79.95731	3.1
82.59374	0.2
85.02924	0.6
87.04500	0.4
89.02460	0.3
93.03430	0.5
96.95999	100.0
97.95956	0.2
101.02418	0.6
103.04021	0.7
107.03395	0.2
107.05060	0.3
109.02917	0.2
113.02429	0.5
115.04025	0.3
117.49466	0.2
123.04529	0.3
125.01577	0.2
125.02444	0.8
145.02905	1.3
151.03952	0.3
161.13371	0.5
173.02428	1.6
173.06046	0.7
177.01822	0.4
182.23297	0.3
191.05585	1.1
196.86015	0.2
201.05515	1.2
202.06316	1.0
205.12299	0.4
217.01421	0.9
246.05287	2.5
249.11229	0.4
286.56570	0.2
291.10172	0.5
311.28809	0.2
405.55994	0.3
471.23026	0.3
515.15027	0.7
515.21777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03439	1.6
59.01373	17.6
60.27072	0.9
61.98803	2.8
69.03433	1.2
69.71643	6.4
71.01375	5.7
72.99295	1.7
73.02933	11.8
79.95743	1.5
81.03411	1.5
83.01360	1.0
85.02942	6.3
87.00858	2.4
87.04510	1.6
89.02415	4.0
93.03423	2.2
95.01372	1.4
96.96002	38.6
97.02916	1.7
97.06575	2.4
98.95561	1.0
99.00848	1.6
101.02419	6.4
102.55025	0.9
103.03969	2.6
108.01437	1.9
108.02163	37.1
109.02951	33.3
111.12817	1.1
113.02461	2.5
119.03501	1.7
119.04984	1.5
120.86347	0.9
120.99652	1.5
121.02934	1.8
123.00857	2.1
123.04501	2.2
125.02431	10.4
125.06065	12.2
135.04489	1.3
137.02461	1.6
143.07115	13.7
147.04504	65.0
148.04839	1.4
151.07664	1.1
152.01131	46.7
153.01930	18.3
155.10750	5.6
161.04431	1.1
163.04030	2.6
163.06073	5.6
165.01857	1.5
167.57430	1.0
191.05568	5.3
197.40092	1.0
202.04419	1.1
205.07069	1.7
217.10738	1.3
259.97546	1.1
274.14914	1.0
287.40448	1.0
307.10303	2.1
418.88800	1.3
435.43060	1.0
441.13882	4.5
453.17499	4.7
455.15448	3.0
471.18234	7.0
479.11404	1.4
497.16275	1.0
515.17529	100.0
516.18134	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	515.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00139	0.6
51.34959	0.5
51.55585	0.5
57.03448	0.7
59.01373	100.0
61.98822	5.9
63.31622	0.5
68.99561	0.7
69.03455	2.5
71.01379	7.3
71.05014	4.0
73.02953	2.3
83.01407	1.1
85.02956	2.1
87.00857	0.7
89.02454	1.6
93.03476	0.9
96.95987	2.7
97.02920	1.1
99.00880	0.9
101.02420	3.1
101.06060	0.7
105.10214	0.5
106.08138	0.6
107.04964	0.4
109.02955	1.0
113.02465	2.1
117.03447	5.4
119.03565	0.6
119.05034	2.2
121.02948	6.2
123.04539	1.1
125.02474	1.3
131.38487	0.5
134.03769	1.0
137.02463	0.7
139.11293	0.8
145.02936	21.3
146.03294	0.8
147.00850	0.7
147.04506	19.6
147.50401	0.5
149.09685	0.9
151.11273	0.5
155.10800	1.0
156.11032	0.6
161.04616	1.4
161.06108	3.7
163.03975	2.6
171.10262	0.6
177.01854	0.8
177.09201	1.1
183.10251	3.4
189.05540	0.9
191.05600	1.2
205.05144	1.0
221.08159	14.9
221.10283	0.9
233.10323	0.6
235.06055	1.3
236.21027	0.6
237.07800	1.6
250.64262	0.6
265.07306	2.2
291.08813	1.6
349.18454	0.8
353.23532	1.0
371.24207	4.3
381.11929	9.6
381.16571	0.4
382.65988	0.6
477.21399	1.8
479.22290	7.1
515.21924	4.8
515.28662	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.5
61.98818	1.4
67.01879	0.7
69.65588	3.0
71.01364	0.9
71.62289	0.5
81.03452	0.7
85.02947	8.4
87.00874	1.9
87.40592	0.5
89.02426	0.5
93.03452	6.0
93.31640	0.4
96.96004	13.8
96.96944	0.7
99.04492	0.5
101.02426	0.5
104.58071	0.6
109.02899	1.2
111.04494	1.3
117.03449	1.5
125.02394	1.2
127.04004	2.3
132.02150	1.1
133.02945	6.2
135.04521	5.7
137.02357	0.7
148.83626	0.5
150.07147	0.5
160.01634	3.5
161.02435	48.0
162.02692	1.1
171.02983	0.7
173.04451	1.3
179.03490	4.9
191.05598	100.0
192.05925	2.2
232.01608	0.7
239.58417	0.6
289.69135	0.5
323.07678	37.6
324.07941	2.0
341.08646	2.7
353.08679	3.6
452.08395	0.6
515.14008	31.4
516.14478	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	515.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15077	0.4
57.03436	0.4
59.01377	2.3
61.98806	0.5
67.98981	0.3
71.01370	1.5
74.99812	0.3
78.95912	0.6
85.02943	10.6
87.00859	2.3
93.03444	4.1
94.57630	0.3
96.95998	1.5
99.04442	0.4
105.03448	0.4
109.02952	1.0
111.00889	0.5
111.04520	1.5
113.02432	0.5
117.03457	1.2
118.48831	0.4
125.02468	0.6
127.04021	2.6
132.02161	1.4
133.02007	0.7
133.02945	8.4
135.04515	3.0
145.74475	0.4
160.01634	3.3
161.02428	51.2
162.02766	1.5
167.03436	0.5
171.02937	0.7
173.04506	1.5
177.01923	2.4
179.03482	3.3
191.05589	100.0
192.05907	2.3
323.07669	38.4
324.08051	1.7
341.08685	1.9
353.08771	4.0
403.32224	0.4
515.13995	41.8
516.14227	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	515.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.01367	1.0
59.34202	0.3
60.99300	1.1
61.98828	0.3
67.01894	2.0
69.03442	0.5
70.17045	1.1
71.01369	1.0
72.82068	0.4
81.03464	0.7
85.02943	4.8
87.00860	4.6
93.03449	17.6
94.03773	0.4
96.96016	2.2
99.00871	0.5
109.02914	0.9
111.04510	2.3
111.05285	0.4
125.02424	0.4
127.04009	1.2
133.02942	1.6
134.03734	0.5
135.04515	15.6
147.59245	0.3
155.03436	0.8
161.02423	10.4
162.02705	0.6
171.02940	0.6
173.04515	4.4
173.67482	0.4
179.03476	14.2
191.05588	100.0
192.05907	2.6
194.12036	0.3
267.94540	0.3
316.15295	0.3
323.07712	0.9
353.08716	11.0
354.09000	0.5
395.09830	2.0
396.10223	0.4
443.60428	0.4
515.13977	60.9
516.14288	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	515.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70413	0.9
57.03444	1.7
58.00575	1.3
59.01375	45.6
64.06974	0.8
69.72369	5.4
70.92366	0.8
71.01379	39.1
72.99305	1.3
73.02943	1.5
75.00867	2.3
83.01371	2.1
83.05027	1.3
85.02935	6.7
87.00880	3.2
89.02438	40.2
93.03440	1.7
95.01367	2.0
96.96018	2.8
99.00867	4.9
101.02431	16.3
106.13322	1.0
111.00898	1.5
111.04505	1.2
112.98805	14.7
113.02448	14.6
115.00394	2.4
119.03491	14.3
124.98782	1.5
128.39920	0.8
129.01949	2.7
129.05554	2.9
130.05064	1.7
131.03482	2.1
135.04510	1.4
142.99855	13.1
143.03474	3.8
145.01405	2.3
147.02957	0.8
149.04549	1.5
159.52858	0.8
161.02428	1.0
161.04568	4.6
173.00909	9.5
173.04562	4.8
173.05867	1.1
175.02472	0.9
179.03445	0.8
179.03712	0.9
179.05588	22.1
191.05627	5.6
341.10846	100.0
342.11267	4.4
355.17828	0.9
515.13971	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63917	0.0
55.01877	0.3
56.42795	0.0
57.03452	0.1
58.00574	0.2
59.01372	5.1
66.05600	0.0
69.03454	0.1
70.76387	0.1
70.76714	0.1
71.01377	4.3
72.99298	0.2
73.02941	1.0
83.01374	0.5
83.05011	0.2
85.02938	1.0
87.00864	0.6
89.02435	3.2
91.04000	0.2
95.01377	0.3
97.02959	0.2
99.00871	0.3
99.04526	0.1
101.02434	4.1
103.04003	0.2
111.04535	0.1
112.01652	0.1
113.02440	1.9
114.02820	0.0
115.04032	0.1
119.03491	0.9
125.02464	0.2
127.07639	0.3
131.03516	0.2
133.05101	0.4
143.03473	0.4
145.05049	0.1
149.04538	0.1
157.05070	0.2
161.04541	1.5
179.05632	0.6
187.06221	0.1
205.19548	0.1
233.22696	0.4
235.08171	1.3
253.09251	14.8
254.09645	0.5
259.20703	0.4
275.20047	0.4
277.21677	100.0
278.22025	5.6
278.25214	0.1
339.23141	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54154	0.2
58.09972	0.2
59.01371	0.9
59.59513	0.2
61.01809	0.3
61.98825	100.0
71.01374	0.3
71.62660	0.2
73.02979	0.3
88.98810	0.7
89.78983	0.2
96.96015	0.7
97.06596	0.4
97.36572	0.2
108.02152	1.4
109.02962	0.8
110.03300	0.3
117.88923	0.2
121.03006	0.3
123.04539	0.3
123.38684	0.2
125.02473	0.3
135.04494	0.2
137.66592	0.2
145.02928	0.2
151.04033	0.2
152.01167	1.9
153.01935	0.8
161.89441	0.2
163.04016	0.2
191.05646	0.2
200.06810	0.2
212.11023	0.2
223.81610	0.2
227.50888	0.2
296.13284	0.2
305.46170	0.2
346.02206	0.2
382.25903	0.2
440.12982	0.3
452.33078	0.3
453.33505	0.4
454.23602	0.3
454.33597	1.4
514.16339	2.9
514.32629	0.5
515.17603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17396	1.5
57.03452	1.9
58.00589	1.6
59.01375	50.5
69.55611	9.5
70.14124	1.5
71.01376	45.1
72.99290	2.4
75.00874	2.8
83.05006	5.9
85.02946	10.3
87.00862	5.5
88.04041	2.3
89.02438	45.9
93.03448	7.3
95.01406	1.6
97.02950	1.4
99.00871	6.4
101.02436	19.5
111.00854	1.9
111.04502	7.6
112.58935	1.3
112.98794	14.2
113.02437	13.5
115.00350	1.9
119.03486	16.6
127.04009	1.5
129.01917	3.9
129.05598	9.4
130.05092	3.6
131.03476	3.2
135.04546	4.1
136.75542	1.5
142.99849	15.6
143.03511	3.8
149.04521	2.1
161.02409	8.2
161.04491	3.5
172.06145	1.8
173.00929	10.1
173.04526	28.4
174.07668	2.6
179.03487	4.2
179.05574	19.2
191.01865	1.5
191.05583	35.0
210.64119	1.6
323.07495	7.3
324.02783	1.7
341.10858	100.0
342.11163	3.4
353.08643	3.1
515.14020	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03456	0.1
58.00608	0.2
59.01373	5.3
61.98839	0.0
63.03105	0.0
69.03456	0.1
71.01375	4.0
71.58028	0.1
72.99290	0.3
73.02938	1.0
73.13655	0.0
81.03468	0.1
83.01377	0.5
83.01803	0.1
83.05013	0.2
85.02941	1.0
85.03435	0.1
86.00137	0.0
87.00867	0.6
89.02437	3.5
90.02779	0.0
91.04028	0.2
95.01379	0.3
97.02945	0.2
99.00880	0.3
99.04542	0.1
101.02433	4.2
102.02828	0.1
103.04024	0.2
111.00910	0.1
113.02440	2.0
113.06101	0.1
115.04007	0.1
119.03487	0.9
122.27283	0.0
125.02436	0.2
127.03986	0.0
127.07649	0.3
131.03505	0.1
133.05069	0.3
136.15593	0.0
138.05536	0.0
141.09279	0.1
143.03484	0.3
145.05035	0.1
149.04509	0.1
157.05029	0.1
161.04536	1.5
161.05843	0.1
179.05606	0.6
182.13264	0.1
205.19691	0.1
233.22716	0.3
235.08165	1.2
236.08128	0.0
249.74141	0.0
253.09250	15.3
254.09592	0.5
259.20648	0.4
275.20038	0.3
277.21674	100.0
278.22015	5.6
291.23184	0.1
520.12115	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	513.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69489	1.6
59.01365	4.7
61.98837	4.1
67.18910	1.6
67.43745	1.8
69.71377	1.5
71.62963	2.8
86.43000	1.5
96.96014	3.9
113.86287	1.6
115.88327	1.6
120.42609	1.5
163.11307	1.6
192.90457	1.6
223.42902	1.5
271.20627	5.2
315.19611	100.0
315.67133	1.9
316.19995	6.1
344.29587	2.0
423.42038	1.7
513.22266	10.2
513.28864	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13917	0.7
58.00583	1.0
59.01374	40.1
61.98824	30.6
63.46664	0.9
69.03448	3.3
71.01376	26.4
71.05001	0.9
71.63255	1.5
72.99306	2.0
73.02938	18.8
75.00854	1.5
79.95703	1.1
81.03440	1.0
83.01373	5.9
83.04993	1.2
85.02945	5.3
87.00858	1.6
88.98802	2.6
89.02438	7.2
93.03426	2.1
95.01388	1.2
95.05005	1.7
96.96000	11.7
97.02925	0.9
99.00867	1.3
99.04489	2.7
101.02442	10.0
101.65084	0.8
108.02116	1.0
112.77515	1.0
113.02448	7.7
117.03462	12.6
119.03478	2.7
119.05018	7.4
121.02927	4.4
121.06548	1.4
123.04520	1.8
125.02460	4.8
133.06586	1.6
135.11787	1.3
136.05307	1.0
137.02443	2.9
138.01968	8.3
139.02313	1.8
139.07643	1.8
139.11293	7.1
145.02945	61.2
146.03236	2.0
147.04475	1.0
148.26335	0.9
149.09683	3.0
151.11214	2.0
155.10744	2.3
161.02434	1.3
161.04509	4.7
161.06059	2.6
163.04001	8.7
163.11169	0.9
165.12846	12.8
166.13179	1.0
167.03442	1.2
167.10736	1.7
175.11214	1.3
179.05524	1.7
179.14401	1.3
183.08617	1.4
183.10245	27.3
185.11861	2.1
189.12799	3.0
191.05585	2.5
193.12291	1.7
195.06618	3.3
205.05022	3.0
207.13875	18.3
209.11882	1.5
211.13370	46.7
225.14943	37.3
226.15358	1.3
235.06058	2.5
235.13390	9.4
253.14395	24.5
254.14807	1.5
265.07220	7.2
283.15564	1.0
302.49423	1.0
347.17041	5.6
453.24713	3.0
475.19690	1.2
477.21259	43.2
478.21570	2.7
513.23297	100.0
514.11237	1.2
514.23523	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	513.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.6
59.90622	0.9
59.92054	0.8
60.57852	0.7
60.99299	15.9
61.98814	2.5
70.90038	2.0
71.01365	2.3
73.02921	3.8
85.02928	1.9
87.00853	2.6
88.98799	100.0
89.02432	11.6
89.99106	1.1
93.03452	1.6
95.01358	0.9
96.95979	3.0
97.06572	3.0
99.00823	1.0
108.02158	14.4
109.02946	10.8
123.00896	0.9
123.04509	2.9
125.02439	2.4
130.39261	0.8
137.02451	1.1
139.03969	1.2
141.05522	2.7
145.02956	0.9
151.03967	1.2
152.01134	20.2
153.01932	7.7
161.02286	0.9
163.03963	0.9
169.05006	2.0
179.03502	1.3
191.05605	3.3
192.06006	1.1
226.53392	0.9
285.03751	0.9
286.04410	1.3
287.04303	1.2
287.09213	2.7
298.08286	1.0
439.12357	3.4
450.09940	2.9
451.16003	1.0
469.16797	2.1
513.15991	30.3
513.23511	1.8
514.16339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01374	3.0
61.98819	2.9
65.03954	0.6
71.01369	2.1
71.62985	0.5
75.00862	0.4
78.95898	1.6
79.95736	3.4
80.91655	0.5
85.02943	0.6
87.00860	0.9
88.98798	4.1
89.02471	0.6
95.95226	0.5
96.96005	100.0
96.96992	3.3
97.01176	2.2
97.06622	0.4
98.01938	4.5
98.23030	0.4
101.02438	0.7
101.70083	0.5
102.98573	0.9
109.02943	1.7
113.02457	1.0
116.05045	0.5
117.03465	0.9
119.04999	0.6
120.99696	0.4
121.02939	1.6
123.02716	0.9
123.04481	0.6
125.00641	0.5
125.02444	1.6
126.98586	0.6
127.02231	0.8
133.02956	0.5
135.93764	0.5
137.02458	0.8
139.03999	1.5
141.00134	3.4
145.02942	4.6
155.01689	1.4
160.74692	0.4
161.02444	0.6
163.04007	0.7
172.02034	1.1
222.93576	0.4
233.06485	0.6
249.06155	0.8
252.56087	0.5
263.07428	39.9
264.07758	1.9
291.12381	1.4
351.14209	0.8
351.21658	0.7
397.27579	0.4
419.22977	0.4
451.64392	0.5
477.21683	2.5
513.19861	2.8
513.27728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98821	1.2
69.80723	1.3
71.01379	0.7
76.08669	0.2
78.95883	1.5
79.95731	3.4
83.05038	0.2
85.02914	0.3
89.02458	0.4
93.03479	0.2
96.96001	100.0
96.96989	2.5
98.20615	0.3
98.45044	0.2
101.02421	0.6
102.17976	0.2
112.98563	0.4
117.03466	1.5
119.05028	0.7
121.02923	0.4
125.02408	0.3
127.04005	0.5
130.82930	0.3
145.02934	6.8
146.03256	0.5
161.06049	0.2
163.03958	1.0
177.05731	0.2
205.05069	0.3
211.13324	0.5
211.83669	0.2
214.86807	0.2
225.14987	0.5
261.00748	0.8
265.07138	0.5
290.97644	0.2
445.41888	0.3
453.25168	0.5
475.19592	2.7
476.19705	0.3
477.20905	1.9
513.23132	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	512.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80889	1.9
57.03432	6.1
61.12450	1.9
61.98824	74.1
71.57922	4.5
73.65427	1.8
83.01384	6.9
89.60079	1.8
98.04707	1.7
125.02434	100.0
126.02776	3.7
157.70433	1.9
195.41740	1.9
270.71484	2.4
290.98892	2.3
323.25845	2.5
449.28928	35.3
450.29675	3.5
476.38589	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	511.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02110	0.2
54.48102	0.3
59.01374	38.5
60.01684	0.3
64.93561	0.3
69.45150	2.2
71.01387	0.7
74.29114	0.3
81.03455	2.5
83.05019	9.3
83.05523	0.5
85.28853	0.3
88.98839	0.6
89.02460	0.3
89.36172	0.3
90.87057	0.3
96.95979	0.4
97.19366	0.3
97.22077	0.2
98.20585	0.4
101.02454	0.5
107.06141	0.4
108.02173	0.7
108.04549	0.4
109.02945	0.7
119.03493	0.3
120.99701	0.3
121.03002	0.3
125.07212	1.2
140.19191	0.3
143.08238	0.7
152.01163	0.6
156.19556	0.4
168.15254	0.3
201.60089	0.3
207.14958	1.5
224.17615	2.0
225.16058	8.2
242.18745	1.0
249.11087	0.3
250.15723	0.4
277.44833	0.4
309.21820	0.4
319.11063	0.3
324.26511	1.0
333.22897	2.3
346.09589	0.3
351.24054	0.8
367.27185	1.2
372.63055	0.3
433.31836	4.8
434.31708	0.4
451.32843	100.0
452.33139	7.7
511.14252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
61.98824	100.0
63.02392	0.9
65.00316	5.2
67.92989	0.6
69.81226	3.9
71.01366	1.2
83.01386	2.8
83.04992	0.9
93.03473	0.9
96.95977	3.8
101.02486	0.8
107.01372	7.7
109.02946	1.1
120.99668	1.8
125.02452	4.3
135.04509	36.7
136.04866	1.1
137.02455	0.9
139.03964	1.3
145.02989	1.2
151.00349	69.0
152.00706	1.2
160.01616	0.7
161.02429	2.0
169.01407	0.7
177.01935	1.1
286.04749	0.8
287.05579	49.9
288.05942	2.5
289.07144	0.9
341.78360	0.7
449.10828	55.3
450.11035	3.6
512.22217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77795	0.3
52.91345	0.3
59.01368	3.2
61.98824	100.0
63.99643	0.3
66.13247	0.3
69.29186	1.2
69.29609	1.6
71.01387	1.0
72.61036	0.3
73.02950	0.6
75.00847	0.5
77.85503	0.3
79.95734	0.8
85.02949	0.6
89.02445	0.8
90.35245	0.3
96.96001	15.7
98.20621	0.6
101.02441	1.2
108.02185	0.5
117.03454	1.0
119.05034	0.4
121.02948	0.6
128.90161	0.3
137.02458	0.3
138.01950	1.0
144.75323	0.3
145.02924	5.1
146.03305	0.6
160.91870	0.3
163.04041	0.7
204.00562	0.3
452.24664	0.4
475.19830	0.6
476.20123	1.8
477.21130	2.8
512.19330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26552	0.3
57.93461	0.3
59.01371	3.6
61.98812	0.4
62.78496	0.2
64.07657	0.3
65.54443	0.3
71.01363	0.9
71.33231	0.4
80.02675	1.0
81.03432	1.0
83.01379	0.4
83.05019	5.4
84.02175	0.8
93.03450	1.3
95.05011	1.2
96.96029	0.3
97.06591	0.8
107.01353	0.4
107.04995	0.4
109.06598	0.9
111.04507	0.5
112.16550	0.3
117.03472	0.6
118.94962	0.3
121.02931	0.4
123.08153	0.9
125.06086	0.4
125.09713	2.1
127.11297	0.5
135.08141	1.2
149.09692	1.1
151.00366	0.7
154.24260	0.4
163.11276	3.5
165.12840	2.5
171.10248	26.2
172.10588	0.8
175.11246	0.4
177.12918	0.5
181.12347	1.0
185.11795	1.3
191.10713	1.2
203.14372	0.4
205.12294	0.5
209.11804	100.0
210.12132	3.4
216.19464	0.3
219.13847	0.5
221.11824	1.3
221.15311	0.5
223.13306	1.5
225.11272	0.4
227.12856	8.7
229.12230	0.5
229.26010	0.3
231.13829	0.7
239.03526	0.8
239.12939	0.4
240.04286	0.8
247.13356	7.8
248.13638	0.5
249.14859	0.4
265.14432	2.8
267.03055	0.4
268.03720	22.6
269.04419	5.2
270.04996	0.4
286.04266	0.4
304.91153	0.4
311.05429	0.4
321.16986	0.7
336.90515	0.3
339.18832	0.3
357.20621	0.5
375.21652	1.0
375.25607	0.7
391.24789	0.4
401.23456	1.1
419.24237	0.9
431.24384	0.4
437.25632	0.4
448.09177	0.7
449.25378	2.7
451.27170	0.4
457.25775	0.5
467.26627	0.6
475.26901	2.8
493.27994	2.4
494.28830	0.4
511.08731	20.8
511.28934	3.2
512.09052	2.1
519.60547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.55663	1.0
57.03436	3.5
59.01373	63.8
61.98822	12.1
65.15672	1.0
69.03431	1.0
69.48820	7.8
71.01374	30.0
72.87148	0.9
72.99302	2.1
73.02942	16.9
83.01382	12.3
83.05022	2.1
85.02946	17.6
87.00864	2.2
89.02430	5.8
93.03429	1.5
95.01374	2.8
96.95998	8.9
97.02907	1.3
98.19867	2.2
99.00870	5.0
100.30324	1.0
101.01763	1.9
101.02431	39.1
103.03949	1.7
111.00854	1.5
112.98533	1.7
113.02436	13.7
117.03445	1.5
119.03540	1.6
121.02914	2.3
123.04508	3.0
125.02413	3.5
127.03983	2.9
135.04425	1.8
137.02434	2.0
138.03177	1.7
141.48264	1.0
143.03476	2.4
145.02934	4.5
153.09200	2.8
158.69946	1.0
159.02921	2.1
161.04526	9.8
163.11250	1.5
165.12737	1.0
171.10283	7.5
175.03961	1.3
193.12230	1.2
195.06470	1.6
207.10327	1.2
209.11789	32.3
210.12111	1.6
225.11430	1.2
227.12781	3.6
239.03467	1.4
247.13258	3.1
262.62335	1.0
265.10745	3.7
268.03714	16.5
269.04410	4.2
284.03174	1.4
285.03769	4.2
286.04398	6.1
301.02594	1.5
305.19666	60.3
306.19992	2.0
319.20871	1.0
343.24771	2.1
400.96524	1.2
448.09531	6.0
451.25430	100.0
452.25870	5.3
472.76465	1.0
475.19754	2.7
493.27731	1.4
511.08771	15.2
511.26385	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	511.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
57.66498	0.5
59.01376	31.0
61.98517	1.1
61.98828	18.0
69.03463	0.5
71.01374	5.3
71.63076	0.7
72.01704	0.5
73.02936	1.3
83.01397	0.6
85.02927	1.0
87.00869	0.7
87.04528	0.6
89.02448	0.7
93.03448	13.1
96.95972	1.1
99.04506	0.5
100.64290	0.5
101.02434	1.7
101.06094	0.5
109.02972	0.7
113.02448	1.7
117.03446	0.9
120.99660	0.7
121.02944	39.3
122.03231	0.5
122.56168	0.5
123.04514	100.0
124.04828	2.4
125.02433	2.6
133.02887	0.8
135.04489	0.6
137.02484	1.1
139.11255	0.7
143.10751	0.8
145.02942	2.4
146.08240	1.1
147.04514	5.0
148.04825	2.4
153.09166	0.8
161.02437	1.7
161.04582	1.0
165.12715	0.6
167.03447	0.5
183.10246	5.5
191.10716	0.8
209.11768	1.6
225.11348	0.6
251.12872	1.0
285.03857	1.4
286.04431	1.3
327.14746	0.5
448.09680	2.3
451.29227	1.3
493.20367	0.5
511.20612	14.7
512.21423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58916	1.0
55.24694	0.9
57.03437	5.7
61.98823	73.7
64.92620	1.0
69.49337	6.4
72.22194	1.0
78.95883	9.7
81.03447	2.1
83.01374	9.0
96.96980	1.5
123.04549	1.2
125.02441	100.0
126.02765	2.4
149.02405	1.5
150.38762	0.9
152.99573	13.7
153.49190	0.9
166.49597	1.2
167.03520	3.0
171.00630	1.1
179.05635	1.0
227.03168	1.3
254.56099	1.0
279.23428	1.1
281.24823	15.0
282.25174	38.0
283.25473	1.2
284.03281	2.7
285.04074	6.0
306.04950	1.1
321.24283	1.4
429.34012	1.3
430.60181	1.2
447.09131	6.4
447.27457	29.9
448.27704	2.3
510.29016	29.6
511.29822	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	511.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83545	0.3
59.01366	1.0
71.01382	0.5
71.07028	0.5
71.07359	0.8
74.99100	0.6
77.34681	0.4
79.95734	14.3
80.96507	1.3
84.14306	0.4
85.02940	0.4
89.02443	0.4
93.03467	1.1
95.95232	0.8
96.96004	100.0
101.02457	0.5
107.04997	1.0
107.62557	0.3
117.05611	0.5
121.02927	3.8
123.04530	3.4
125.02413	0.4
134.80817	0.3
135.04495	1.4
136.99142	0.7
138.97067	2.6
150.03171	0.3
161.02385	1.4
165.01865	0.5
165.05522	0.3
190.20313	0.3
203.00218	1.7
209.96089	0.3
235.88164	0.3
288.13123	0.3
363.29440	0.4
372.11041	0.4
405.07077	3.4
475.14615	1.3
511.11191	91.8
512.11597	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	510.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99787	0.1
57.03460	0.2
59.01364	1.5
61.98822	100.0
71.01378	1.2
71.63059	0.3
72.36976	0.1
73.02943	0.6
80.96511	0.3
83.01411	0.3
85.02957	0.5
87.00880	0.2
89.02451	0.6
94.98060	0.2
96.96027	0.6
101.02440	0.6
113.02467	0.2
117.03466	0.4
118.03801	0.2
119.05000	0.3
121.02956	0.2
123.04629	0.2
125.02457	0.4
131.03450	0.2
135.04523	0.2
135.71025	0.2
137.02480	0.2
143.12119	0.1
145.02946	2.3
146.03305	0.7
149.04497	0.2
151.00410	0.2
161.02426	0.2
162.04808	0.1
163.03987	0.4
167.03459	0.6
179.03375	0.2
181.05086	0.2
214.15269	0.2
252.10205	0.1
284.03250	1.2
285.03998	2.9
286.04449	0.3
349.20169	0.2
365.18253	0.6
447.09164	2.4
448.09207	0.2
448.22861	0.4
449.22739	0.5
450.23099	1.8
472.13107	0.3
475.12607	0.3
510.19830	0.4
511.19409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
58.14883	0.2
59.01373	1.8
61.98825	100.0
66.87248	0.2
69.48997	1.0
69.49423	0.6
71.01379	0.9
74.00679	0.2
85.02892	0.2
89.02422	0.5
96.96024	0.8
98.19877	0.4
101.02414	0.5
108.02193	0.6
109.03008	0.4
117.03465	0.6
119.05006	0.4
120.44870	0.2
121.02957	0.7
123.00951	0.4
123.04542	0.5
124.01674	0.3
125.02455	0.8
137.02493	0.4
139.04031	0.2
145.02933	3.4
146.03278	1.3
151.00359	0.3
152.01138	0.6
153.01903	0.3
161.02376	0.4
161.04559	0.2
167.03535	0.4
175.04123	0.3
200.00581	0.3
269.20258	0.2
284.03226	1.6
285.04047	3.9
389.30264	0.3
405.13367	0.3
434.17145	0.7
447.09219	3.8
447.15207	0.3
450.23495	0.4
473.18353	0.5
474.18588	1.6
478.16284	0.7
510.19772	1.5
511.21405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36853	0.2
59.01372	1.5
61.98824	100.0
71.01371	1.0
73.02950	0.2
80.96506	0.3
82.97668	0.2
85.02949	0.4
89.02454	0.5
96.96023	0.5
98.20700	0.4
101.02444	0.6
108.44965	0.2
113.02443	0.5
117.03463	0.5
119.05072	0.4
121.02967	0.2
125.02430	0.4
129.75575	0.2
137.01088	0.2
137.02463	0.2
145.02948	1.9
146.03311	0.4
152.96155	0.2
163.04044	0.3
211.64667	0.2
223.63602	0.2
284.03247	1.2
285.04007	2.6
289.43018	0.2
365.18350	0.6
447.09244	2.2
448.22916	0.4
449.22876	0.4
450.23212	2.0
472.13287	0.3
510.20270	0.4
511.18390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98826	59.8
69.49337	2.8
71.01382	1.2
73.02959	0.6
83.01386	0.4
85.02974	0.5
89.02434	1.6
93.03464	0.8
96.96008	0.8
100.01611	0.3
101.02460	0.6
107.01402	1.0
113.02505	0.8
113.79198	0.4
117.03518	0.5
121.02947	1.2
124.01662	0.4
125.02448	0.9
128.19733	0.4
133.02945	5.0
135.04469	0.6
137.02458	0.8
145.03009	0.7
149.02434	1.3
151.00360	3.3
151.04018	0.5
155.00233	0.4
161.02440	1.4
163.03960	0.8
168.00639	0.6
168.86787	0.4
175.03990	1.6
176.17401	0.4
179.03450	1.0
180.03783	0.7
185.42815	0.4
199.03943	1.3
207.79951	0.4
213.05550	0.7
217.05032	0.8
241.05058	0.9
284.03287	2.9
285.04019	100.0
286.04364	4.1
339.14120	0.6
447.09262	19.7
448.09460	1.5
473.70325	0.4
510.13095	2.7
510.19843	0.7
511.21320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.8
61.98823	100.0
71.01378	24.6
71.05016	3.3
71.63503	0.6
73.02950	1.4
79.01021	0.6
83.01382	0.6
85.02943	2.1
87.04509	1.3
88.04036	4.2
89.02436	3.0
93.03441	0.7
96.95975	1.4
99.04489	0.7
101.02438	2.9
101.06072	1.9
103.05527	1.3
109.02919	0.8
113.02441	2.0
116.03552	1.0
117.03436	0.9
119.03493	1.1
119.05002	1.6
121.02947	1.7
123.04507	2.2
125.02397	0.8
128.07143	2.4
131.05058	0.9
145.02937	1.7
146.08228	11.9
147.04504	73.1
148.04805	2.2
161.02448	0.9
161.06004	6.0
163.03987	1.0
179.05524	0.8
189.05557	0.9
193.71228	0.7
195.06384	0.7
200.09210	1.2
200.69817	0.9
284.03128	2.7
285.03958	5.5
290.12393	2.5
330.17825	1.1
342.24661	0.7
347.18472	3.2
348.18915	7.7
362.14435	4.9
447.09244	6.1
474.19012	0.7
492.18433	1.0
510.19440	84.4
511.19693	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	510.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96539	0.5
61.18480	0.5
61.98821	7.8
63.98654	0.5
64.53513	0.5
69.35686	1.1
69.36099	3.7
87.32942	0.6
93.33630	0.5
107.01366	1.1
109.02961	0.6
123.86904	0.5
133.02937	2.7
149.02435	0.7
151.00343	2.9
175.03938	1.2
183.42448	0.6
199.04002	1.1
204.18817	0.6
211.03957	0.7
213.05557	0.8
217.05019	0.6
241.04935	0.7
256.03802	2.6
284.03223	47.6
285.04007	86.6
286.04285	3.6
327.05154	1.6
447.09268	100.0
448.09680	6.9
486.79733	0.6
528.74908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01110	0.3
56.76054	0.3
59.01371	2.0
61.98827	5.5
65.00312	0.4
71.01375	1.0
71.63029	0.5
73.02959	0.4
83.01381	0.3
83.90732	0.3
85.02975	0.7
89.02435	1.2
89.18723	0.3
96.96002	0.5
101.02430	1.0
107.01373	0.6
113.02411	0.8
117.03455	0.4
119.03503	0.4
120.99599	0.6
132.02075	0.4
133.02940	5.0
145.02921	0.9
149.02417	1.2
149.76192	0.3
151.00357	4.1
161.02426	1.5
171.04523	0.4
175.03925	2.7
178.20203	0.3
185.06027	0.4
199.04033	1.6
201.01935	0.8
213.05467	0.4
217.05032	1.4
241.05049	1.1
243.02940	0.4
249.11176	0.6
256.03751	1.9
257.04498	0.6
284.03256	4.8
285.04013	100.0
286.04404	5.2
339.14529	0.6
343.60382	0.3
447.09268	51.1
448.09601	3.7
450.27872	0.4
510.20383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48686	0.7
55.01868	0.8
57.03441	1.1
58.00578	2.0
58.32823	0.8
59.01372	100.0
61.98819	8.1
63.20891	0.8
69.03451	1.6
70.90168	2.2
71.01375	34.2
72.99311	3.4
73.02939	33.6
83.01379	3.2
85.02946	14.8
86.00078	1.5
87.00867	8.6
87.04513	5.3
89.02435	30.9
95.01405	0.9
97.02917	1.0
99.00890	1.3
101.02432	59.9
102.95038	0.8
103.03999	20.5
111.52200	0.7
113.02431	5.7
115.04002	10.4
116.04535	0.7
119.03492	13.3
123.04601	0.9
125.02439	3.5
127.04028	1.8
131.03482	12.3
136.05351	0.8
143.03493	16.4
145.02928	1.7
145.05051	8.0
160.01665	1.1
161.02344	3.5
161.04492	1.1
163.06105	90.2
164.06404	1.6
175.03879	1.6
176.04318	1.1
179.05614	2.6
195.06610	5.6
205.05196	1.5
205.07140	28.3
206.07486	1.2
235.08257	1.4
265.09265	7.8
285.04086	1.1
317.39737	0.9
325.11517	0.9
447.09717	1.5
449.23798	27.3
450.24243	1.2
473.17828	1.6
477.18271	1.2
487.15259	1.0
509.23615	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50850	0.3
70.86585	0.3
71.46125	0.7
78.95900	20.1
87.85398	0.4
95.56004	0.4
96.96950	1.6
103.06257	0.4
150.98010	0.6
152.99580	29.7
153.99814	0.4
171.00638	1.3
174.86885	0.3
181.73030	0.4
227.03262	3.7
244.00542	0.4
245.04343	0.8
281.24829	100.0
282.25168	5.9
290.83450	0.4
307.81253	0.4
408.75339	0.4
417.24301	1.2
447.09003	0.5
473.92108	0.4
509.28784	67.5
510.29138	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	509.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03433	0.8
58.00612	0.5
59.01372	8.8
61.98825	7.2
69.03439	0.4
69.56481	0.4
71.01375	8.6
71.63779	0.5
72.99318	0.5
73.02944	3.4
75.00863	0.4
78.98588	0.5
79.95724	0.5
80.96511	5.9
83.01389	2.1
85.02945	4.4
85.06746	0.3
87.00883	0.7
87.04508	4.8
89.02439	1.9
93.03455	0.9
94.98074	1.2
95.01373	1.0
96.96011	0.6
97.02911	0.6
99.00890	1.6
101.02437	7.7
105.03450	1.0
109.02970	0.6
113.02448	3.4
117.03438	1.3
119.03499	0.5
119.04976	0.6
119.08630	0.4
121.02945	1.2
123.04537	0.9
125.02432	1.9
131.03438	0.5
132.02153	15.0
132.03154	0.8
133.02962	5.4
134.03731	12.9
135.04491	1.3
136.05309	0.4
137.02428	2.9
139.04036	0.4
145.02936	2.1
148.99046	0.6
149.06125	2.1
152.98581	0.7
159.02962	0.5
160.01640	71.7
161.02139	3.1
161.04553	1.2
163.04121	0.5
163.06125	0.5
164.98608	1.2
167.03456	0.7
171.10226	0.4
175.03981	83.7
176.04341	3.3
176.05762	0.5
177.01881	1.1
178.02666	0.8
179.03506	1.5
192.04605	0.4
193.05028	11.5
194.05318	0.7
195.06590	0.6
225.00688	1.5
235.05994	0.4
247.36923	0.4
284.03241	1.5
285.04047	3.6
299.01682	0.5
300.02771	1.4
312.74908	0.4
317.19675	6.7
341.23233	1.8
352.51706	0.4
417.85010	0.4
437.18384	0.4
443.05115	0.4
447.09369	4.5
449.23877	12.7
450.23956	0.6
494.21533	1.2
508.36182	0.4
509.16998	8.7
509.23822	100.0
510.16815	1.1
510.24121	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	509.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
57.03440	6.2
59.01375	100.0
61.98826	47.0
69.03439	2.4
71.01376	51.9
71.22766	2.8
72.99313	3.4
73.02942	19.9
74.99088	14.1
75.00886	2.3
80.96513	6.2
81.00392	1.3
81.01921	1.4
81.03427	1.7
83.01380	10.1
83.05025	4.5
85.02925	24.5
86.90423	1.5
87.00875	4.3
87.04504	18.4
89.02435	22.9
93.03468	4.4
94.98068	2.3
95.01380	3.6
96.95991	5.5
97.02979	3.2
99.00861	7.4
100.13033	1.7
101.02434	53.9
103.03982	2.2
105.03411	1.6
107.05035	1.8
108.02168	2.6
109.02907	2.5
111.00872	3.3
113.02433	18.1
117.03466	12.8
119.03492	5.0
119.05042	6.0
121.02967	3.8
123.04524	3.4
125.02440	7.6
127.03965	1.8
131.03490	31.8
132.02180	4.2
132.03848	1.7
133.02963	2.2
133.05074	6.8
134.03735	4.8
135.04506	4.5
136.05280	6.7
136.99149	12.7
137.00079	2.4
137.02446	8.5
138.01947	3.5
143.03476	4.3
145.02946	50.1
146.03352	2.5
147.04616	1.5
149.04599	2.1
151.04015	1.6
155.10791	2.9
155.32974	1.8
159.02959	2.7
160.01649	20.4
161.02289	5.0
161.04509	13.5
163.04010	3.9
163.06104	11.0
165.09206	4.5
167.03458	1.7
175.03995	23.2
176.04338	3.9
177.01897	1.9
177.04311	2.0
177.05696	2.0
179.03502	2.4
193.05049	5.7
195.06606	30.2
195.08293	3.0
200.66464	1.5
205.07143	3.0
209.08113	1.8
225.00841	2.1
233.06630	2.3
233.29849	1.8
237.07588	2.3
257.04520	10.4
272.06781	4.1
284.03394	7.8
285.03998	17.7
287.09314	5.9
307.08008	1.9
317.19656	85.3
318.19839	4.9
335.39554	1.5
341.23282	6.3
357.25635	1.6
412.13675	1.7
421.20880	2.9
447.09225	17.6
449.23865	69.8
450.24277	5.1
473.18195	31.3
473.24542	1.2
491.17157	3.1
509.16949	9.8
509.23663	37.1
509.35934	5.8
510.17825	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14845	0.4
59.01371	15.8
61.98824	6.6
71.01370	2.2
71.62937	0.6
72.99321	0.8
73.02959	0.9
75.00879	1.2
81.03458	0.5
83.05072	0.5
85.02967	1.4
87.00874	0.7
89.02468	1.2
93.03465	1.4
95.05042	1.2
96.95997	4.4
99.00866	0.4
101.02445	1.2
107.05032	0.7
108.02176	0.5
109.02932	7.1
109.06564	3.6
113.02453	0.7
117.03484	2.8
119.05019	6.8
121.02940	6.8
122.03751	1.3
123.04530	0.7
125.02424	1.2
133.03000	0.9
135.04510	6.8
137.02470	0.8
137.06064	32.3
139.03995	1.1
140.04276	0.4
145.02933	10.2
157.05186	0.6
160.01624	0.6
161.02451	3.0
161.06052	0.4
163.04021	2.2
175.03932	0.8
177.01962	0.5
179.03487	0.6
181.05037	100.0
182.05360	2.4
183.10164	0.4
187.03873	0.8
187.07632	1.2
191.05646	0.7
257.08130	1.3
284.03210	0.7
285.04074	1.1
307.08124	1.0
325.09201	2.1
343.10294	4.5
447.09015	1.4
449.27853	0.7
465.17789	1.9
471.12686	1.3
509.19998	19.1
509.35107	5.2
510.20041	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.7
70.62859	1.2
75.05410	0.4
78.95893	18.7
96.96948	1.6
115.15274	0.4
118.71182	0.4
136.13542	0.4
152.99570	31.5
171.00624	1.6
227.03241	4.4
245.04248	1.0
254.08315	0.4
279.23248	100.0
280.23572	6.1
312.83594	0.4
334.94510	0.5
395.86246	0.4
415.22427	0.7
507.27203	68.8
508.27560	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	509.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06850	0.3
52.77357	0.3
59.01371	1.7
61.98818	1.0
71.01376	1.0
71.62978	0.3
73.02945	0.4
75.24197	0.3
77.79195	0.3
78.95905	0.7
79.95724	3.6
85.02941	0.3
87.00871	0.6
89.02453	0.6
89.49527	0.3
93.03452	0.7
96.96001	100.0
101.02471	0.4
109.02914	0.6
114.93384	1.3
117.03439	1.9
119.05012	1.4
121.02910	0.4
125.02419	0.3
137.06068	1.2
145.02937	7.9
146.03236	0.6
148.05302	2.2
161.02434	0.7
161.06075	0.5
163.03987	1.6
163.07607	2.9
165.05527	0.4
175.04016	0.3
181.05055	3.8
205.05008	0.4
209.90906	0.3
213.60580	0.3
265.06955	0.5
279.60919	0.4
285.04025	0.7
307.08246	0.9
449.27295	0.4
471.12878	1.9
473.13580	0.6
488.46048	0.4
509.19684	1.0
527.27515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.5
59.40131	0.9
61.98818	2.7
69.44438	7.4
71.01377	9.0
73.02927	2.4
75.53490	0.8
85.02988	1.8
87.00863	13.7
89.02457	2.4
93.03448	61.9
94.03770	1.6
95.05022	3.2
96.95987	1.3
98.20574	1.5
98.75361	0.9
101.02412	2.2
107.05019	0.9
113.02441	1.8
119.05025	2.2
120.99629	1.3
121.02935	9.9
123.04509	2.1
124.01670	1.5
125.02441	5.5
129.01923	1.6
131.04988	1.0
135.04521	20.5
136.01614	2.6
137.02425	69.0
137.17667	0.8
138.02779	1.1
139.03996	11.0
149.02385	1.8
149.99609	1.3
151.03990	35.3
157.05011	2.6
161.02402	8.5
163.03993	39.4
163.05362	2.0
168.00618	2.8
175.03926	1.7
177.05545	36.5
178.05893	1.3
179.03476	100.0
180.03790	2.3
205.05035	2.2
207.02972	12.9
209.02876	0.8
209.04515	5.4
239.05545	4.7
249.04027	7.6
279.05072	4.9
285.04062	1.9
299.09155	1.1
309.06165	11.8
319.10406	1.4
352.42068	1.0
369.08179	3.3
395.13092	1.2
421.11081	1.9
447.09216	1.9
465.14017	3.8
509.12939	93.2
509.19421	3.3
510.13245	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	509.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10913	0.6
57.03433	0.6
58.00575	0.6
59.01370	22.5
61.98822	22.5
71.01372	12.8
71.63642	0.6
72.99287	1.3
73.02947	2.6
74.99075	1.2
82.24246	0.5
83.01380	1.1
85.02946	3.7
87.00880	2.6
87.04519	0.5
89.02437	12.1
90.02785	0.7
93.03464	2.8
95.01394	1.2
96.96001	3.3
101.02428	10.6
113.02424	4.7
117.03477	1.6
119.03513	3.5
119.05012	6.1
120.99642	100.0
121.02944	3.5
121.99960	0.8
123.04543	1.1
125.02427	1.6
133.02933	3.1
134.03690	0.7
135.04518	1.3
136.99100	0.9
137.02420	2.7
139.00449	0.6
139.03981	0.9
139.07594	0.7
145.02940	5.9
149.99603	0.6
151.03938	0.7
161.02429	8.8
161.04561	1.9
163.03995	2.4
165.05563	0.8
167.03421	0.8
175.03926	0.9
177.01865	0.6
177.05594	0.6
179.03534	2.5
179.05582	0.8
181.03343	0.7
187.07635	1.1
193.03210	0.6
195.06627	0.9
208.48540	0.5
211.04373	1.9
246.77223	0.6
257.08191	1.0
257.37103	0.6
271.05841	0.6
284.03348	3.0
285.04004	10.0
387.23721	0.7
389.18210	1.2
421.19296	0.9
447.08942	6.0
449.27655	4.8
465.17645	0.7
509.12637	2.5
509.20575	41.3
509.29453	6.9
510.20651	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
57.03436	3.0
59.01373	87.1
61.98819	6.8
71.01376	61.0
71.08195	4.1
72.99284	2.8
73.02945	13.5
81.03429	2.8
83.01373	3.1
83.05000	9.2
85.02952	10.3
87.00849	2.9
89.02435	85.7
89.02988	4.1
94.53172	2.0
96.95986	2.3
97.02964	2.1
99.00877	24.0
101.02433	40.1
113.02442	16.9
117.03461	3.0
119.03496	16.5
119.05043	2.7
123.04558	2.3
124.01660	5.4
125.02422	7.0
131.03479	14.8
132.02124	5.4
134.03700	6.3
137.02441	3.5
139.04001	3.8
143.03453	3.0
145.02966	10.1
149.04532	48.7
155.03419	5.3
160.01639	24.1
161.04552	8.6
163.03957	4.5
175.03973	27.0
179.05566	7.1
179.10825	2.0
191.05580	11.0
193.05031	3.7
251.07600	3.7
267.19553	4.4
285.60239	1.8
293.08643	3.2
293.17471	2.5
315.17917	2.0
333.11752	1.9
387.56107	1.8
447.22299	100.0
448.22647	9.5
471.16330	2.5
477.19116	8.9
507.22510	28.7
508.22989	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	507.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31258	0.8
55.01868	1.7
57.03431	1.7
59.01376	43.7
60.99301	3.6
61.16044	0.7
61.91534	0.7
61.98816	1.7
69.03450	1.3
69.70998	3.8
71.00988	1.5
71.01378	30.3
72.99290	1.5
73.02941	7.3
83.01381	4.9
85.02945	13.0
87.00853	2.8
87.80803	0.8
88.98804	17.0
89.01907	1.2
89.02437	17.8
92.95074	0.6
93.03448	1.3
95.01357	2.3
96.96011	4.0
97.02944	1.5
99.00879	3.7
101.01759	1.3
101.02431	22.2
109.02957	1.0
111.00835	2.2
113.02450	11.7
117.03465	1.5
119.03494	1.3
121.02943	1.9
123.04476	1.9
124.01704	0.7
125.02390	2.5
131.03485	8.0
135.04478	2.4
137.02408	2.1
143.03499	1.9
145.02892	2.1
149.04544	4.0
159.02925	2.0
160.01668	1.0
161.04552	9.1
175.03973	0.9
179.03474	1.5
191.05600	1.7
206.58301	0.7
307.11606	1.0
315.18048	14.6
316.18549	0.9
341.62735	0.8
447.22180	100.0
448.22430	6.2
465.26898	2.9
507.21405	2.5
507.28436	10.2
508.28650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20796	0.8
53.21713	0.9
55.73031	0.8
57.03436	2.3
58.00583	1.1
58.04139	0.8
59.01374	41.1
60.29443	0.9
61.98545	0.8
61.98819	5.8
69.03441	2.4
71.01378	24.0
72.01716	1.0
72.99304	2.4
73.02929	5.0
74.99087	2.0
81.03450	1.3
83.01385	2.7
85.02951	7.3
87.00865	5.0
88.98773	2.3
89.02436	100.0
90.02789	1.4
93.03446	5.3
95.01373	3.2
96.95992	3.2
97.02934	2.5
98.19839	2.2
99.00876	1.4
101.02428	17.3
102.98564	1.7
107.01330	1.0
109.02919	1.5
111.00899	0.8
113.02444	10.4
117.03395	1.6
117.05486	1.0
118.98070	2.5
119.03498	10.5
119.04998	1.3
120.99676	8.2
121.02948	1.9
123.00873	5.1
123.04512	4.2
124.01651	12.2
125.02440	42.5
131.03487	2.0
132.02145	1.8
133.02957	1.6
133.05037	4.7
134.03712	4.1
135.04489	0.9
136.99153	1.4
137.02425	14.0
139.11282	1.1
143.03487	3.6
145.02927	3.5
149.02391	2.7
149.04517	1.4
149.99571	20.8
150.03236	1.9
151.00273	2.5
151.03970	1.3
153.05527	2.9
154.05933	1.0
160.01671	5.7
161.02393	3.6
161.04619	6.6
163.03992	2.2
163.11290	1.5
165.05539	2.1
167.03470	1.9
168.00635	40.0
169.01442	6.3
175.03967	8.3
179.03537	2.7
179.05605	12.7
183.10216	2.1
191.05586	2.6
193.05022	2.3
211.13379	1.9
224.45128	1.1
237.36180	0.9
239.05522	2.0
241.05325	0.9
313.05771	2.7
317.42728	0.9
331.06689	8.9
331.17520	13.3
332.17990	1.6
337.09088	1.2
345.22900	1.2
371.24396	1.0
385.22638	0.9
387.16260	2.1
389.25476	2.7
407.09784	1.2
419.79889	1.1
432.79425	1.2
490.16333	1.1
507.11407	72.5
507.22165	11.4
507.29364	9.4
508.11539	4.4
508.22766	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.6
61.98826	3.0
71.01375	6.5
71.34438	1.0
73.02937	1.7
83.01388	0.6
84.29324	0.4
85.02957	2.0
87.00894	0.4
87.23489	0.4
89.02434	5.1
93.03448	0.5
94.22430	0.4
99.00888	1.4
101.02446	4.0
105.03461	1.0
109.02914	0.6
109.66907	0.4
111.00882	0.4
113.02433	1.8
117.03468	1.0
119.03510	0.9
119.04973	0.6
121.02937	0.6
123.04522	1.3
124.01656	1.2
124.82009	0.5
125.02449	0.7
131.03479	0.5
132.02155	17.0
133.02943	5.2
134.03731	13.5
135.04459	1.2
137.02432	2.0
139.04004	1.7
145.02931	1.3
149.04535	2.0
149.06062	1.5
153.05588	1.0
160.01637	80.4
161.02060	3.1
175.03976	85.5
176.04343	3.2
177.01917	1.2
177.05577	0.9
178.02678	0.9
179.03505	1.8
191.07103	0.6
193.05028	10.7
194.23294	0.5
195.06638	0.9
211.13431	1.8
221.04376	0.6
235.06148	0.7
350.63449	0.4
379.18555	0.5
394.36130	0.5
447.22253	4.9
477.19431	0.5
492.20062	1.0
507.22281	100.0
508.22635	8.4
511.35733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09138	1.7
55.01880	4.7
57.03440	4.3
58.00580	1.8
59.01376	47.5
61.98824	31.5
69.76230	6.1
69.76654	3.4
71.01377	71.7
72.99303	2.4
73.02940	25.2
83.01396	8.2
85.02950	32.7
87.00888	3.6
89.02438	19.8
93.03446	2.6
95.01373	6.2
96.96014	2.1
97.02947	2.3
99.00871	13.4
101.02441	40.9
108.02162	4.2
109.02937	4.9
113.02448	31.8
119.03475	3.6
121.02979	2.0
125.02433	4.9
131.03522	3.6
133.02950	1.8
134.03699	1.8
135.04515	18.0
137.02383	2.5
139.04010	4.4
143.03471	3.7
145.02931	3.0
149.04550	4.5
152.01134	4.1
159.02931	4.6
161.02373	5.5
161.04568	41.7
161.33229	1.5
175.03995	2.2
177.01872	4.9
179.03517	16.5
183.13892	4.0
211.13383	46.9
253.09258	7.3
315.18088	93.0
316.18304	5.1
323.07709	3.9
381.08832	1.7
447.22281	100.0
448.22415	6.3
507.17746	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	507.1863
Annotation	Hypochoeroside E
Peak:m/z	Relative Intensity
57.03449	0.7
58.00575	1.0
59.01374	41.1
61.98810	0.9
69.03428	0.6
71.01377	12.5
71.17918	0.6
71.18238	1.1
72.99291	1.6
73.02921	2.3
75.00871	0.8
83.01376	1.6
85.02943	4.3
87.00842	1.7
87.04510	1.1
89.02435	12.3
89.35514	0.6
93.03452	21.5
95.01376	2.5
96.95995	5.7
99.00850	1.6
101.02436	10.7
107.04979	0.9
108.02162	0.7
113.02444	6.2
117.03446	3.9
117.05574	0.6
118.98034	0.6
119.03487	3.4
119.05032	3.4
120.99614	1.9
121.02895	1.8
125.02423	2.4
133.02924	1.0
135.04477	1.5
136.01651	6.2
137.02435	48.0
138.02795	1.1
139.00304	0.7
143.03455	0.6
145.02942	11.4
145.25131	0.8
147.04451	0.9
149.02411	1.4
151.03975	1.6
153.01884	0.6
160.01624	0.9
161.02405	2.1
161.04497	1.3
163.03970	4.3
163.11249	3.6
175.02379	0.6
175.03947	1.0
179.03482	17.5
191.05566	1.3
199.09784	0.7
205.04950	2.5
207.10237	6.6
209.04478	1.7
239.05576	9.0
265.07010	1.2
331.07288	1.3
345.22690	1.1
361.14825	1.7
369.15320	2.3
387.16550	47.7
388.16830	2.2
389.25247	2.1
407.64948	0.6
447.16559	4.4
489.17712	1.3
507.18558	100.0
507.27655	9.5
508.18924	7.1
508.27185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05529	0.3
59.01377	2.6
61.98833	3.3
66.07033	0.3
70.00320	1.1
70.00744	0.7
71.01369	1.9
72.99292	0.5
75.00883	0.6
79.38003	0.3
85.02932	0.6
88.59357	0.3
89.02437	1.4
94.06617	0.4
95.03760	1.1
96.96004	0.8
98.20576	0.4
101.02434	0.6
104.05064	0.3
106.06622	1.3
106.83054	0.3
107.05045	0.5
113.02429	0.6
117.03503	0.4
119.03424	0.4
120.99647	1.1
121.02952	0.6
122.06118	1.4
123.03322	0.4
124.07670	4.4
132.04539	22.3
133.05324	13.0
134.03690	0.3
134.06139	3.6
135.04524	1.9
137.02444	0.5
138.05586	0.4
145.02884	0.5
148.04042	1.3
150.03246	0.5
150.05592	0.9
161.04556	0.5
163.04039	0.3
165.04301	11.1
165.05516	0.6
176.03496	1.2
176.07135	0.7
177.04282	2.3
178.05032	2.1
186.09209	1.8
195.06532	0.4
198.09238	0.7
199.04990	0.3
209.03267	3.6
212.10661	0.4
213.06693	1.0
214.12332	3.3
215.11835	4.6
215.63495	0.3
216.98676	0.3
226.07379	0.6
227.08261	0.4
228.05424	0.4
229.09747	2.5
239.08200	0.4
240.10210	1.5
241.09789	2.4
255.11343	1.2
257.12915	18.6
258.13177	1.1
283.10831	8.6
287.06619	0.4
297.11209	0.5
301.11923	10.3
327.09799	0.9
345.10864	100.0
346.11200	6.1
387.11606	0.6
459.16425	0.4
507.15707	10.4
508.16251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51890	3.2
51.75368	3.2
53.57629	3.1
58.15196	3.0
59.01373	92.2
61.98822	49.0
65.09347	3.4
69.03454	4.6
71.01371	78.8
71.28303	4.9
72.99309	7.0
73.02925	6.0
77.12048	3.3
78.95895	4.0
83.01374	4.8
85.02955	18.0
87.00856	6.9
88.98802	18.0
89.02428	93.3
93.03442	23.0
95.01374	4.7
96.95993	86.8
96.96956	4.3
97.02985	5.2
98.95578	3.7
101.02428	65.7
112.55672	3.4
113.02447	40.3
118.94141	4.4
119.03500	44.5
121.02941	75.8
123.04505	100.0
123.05354	7.0
125.02439	36.3
131.03421	6.0
141.99246	3.2
142.61565	3.2
143.03485	15.9
161.04523	16.0
163.03931	5.9
165.05487	4.5
179.05603	50.4
214.35138	4.5
221.06610	12.9
263.07669	7.9
284.76123	4.0
285.09784	82.2
286.10080	3.5
323.09763	87.5
324.10223	4.2
447.15363	4.7
507.11545	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	507.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
66.02242	1.0
71.01378	4.1
71.45167	2.0
73.02949	1.2
74.99117	1.3
75.00887	5.7
85.02936	2.9
87.00867	12.7
95.01410	1.5
96.95993	4.9
97.80170	1.1
99.00880	2.3
99.07580	1.0
101.02464	1.9
105.01935	12.1
108.02164	49.5
109.02301	1.6
109.02956	16.7
120.99625	2.8
121.02930	1.9
136.99121	1.9
140.26173	1.1
140.36734	1.0
147.03041	2.2
150.70332	1.1
151.03964	1.6
152.01137	43.4
153.01923	15.9
163.04018	1.4
165.01872	3.8
165.04022	62.1
191.05577	1.7
315.07181	100.0
316.07397	3.1
364.98770	1.1
482.65494	1.2
507.15161	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46337	0.6
55.01874	0.6
57.03436	1.3
57.16503	0.6
59.01374	10.6
61.09389	0.5
61.98832	3.3
66.73782	0.5
69.03442	3.2
69.96117	1.4
69.96513	1.3
71.01373	6.3
72.99298	0.6
73.02939	4.2
74.99084	0.7
78.91862	1.8
79.01885	0.8
81.03458	0.9
83.01382	2.1
85.02949	3.1
87.00871	1.4
89.02437	16.7
91.05528	1.1
93.03453	5.3
94.11635	0.5
95.01357	2.8
96.95988	1.7
97.02954	2.8
99.00871	0.5
101.02426	4.9
107.01371	1.4
107.05022	0.9
109.02931	1.1
111.00867	0.8
111.08163	1.2
113.02460	3.8
117.03458	4.4
117.05560	0.6
118.98084	0.8
119.03513	1.0
119.05029	3.1
120.99616	1.7
121.02959	1.7
122.03711	2.0
123.00880	7.4
123.04530	2.1
124.01651	17.4
125.02439	37.3
125.09718	0.6
126.02782	0.7
131.03554	0.6
132.02139	1.8
133.02925	1.1
133.05058	1.0
133.06587	0.8
134.03735	6.9
135.04527	3.2
136.01624	0.7
137.02431	10.7
137.03477	0.8
137.06061	5.5
139.11407	0.6
145.02950	9.9
149.06058	0.7
149.99576	30.3
151.00385	2.9
151.03989	0.7
160.01657	7.7
161.02469	3.8
161.04550	1.3
161.06052	2.0
163.03995	3.9
165.01874	1.3
165.05603	1.1
167.03464	1.4
168.00629	58.1
169.01375	4.5
175.02502	0.8
175.03998	10.6
176.04646	0.5
178.02483	0.7
178.93835	0.5
179.03482	3.9
179.05650	0.6
181.04979	1.5
183.10263	3.0
191.05571	2.1
193.05045	4.0
195.06586	0.7
199.06090	0.9
205.05035	2.3
209.04538	0.8
235.06122	1.7
239.05630	2.9
265.07132	4.1
281.12427	1.6
299.07785	0.8
313.05548	3.3
325.09192	1.4
326.04846	0.7
331.06668	13.7
331.17572	6.7
337.09250	1.6
345.09644	1.8
387.23700	0.6
389.25348	1.8
419.08664	0.7
489.10220	1.1
492.20392	0.6
507.11353	100.0
507.28091	6.7
508.11584	6.8
508.18445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88113	0.4
56.11665	0.4
57.03450	0.5
59.01374	3.7
61.98826	100.0
67.54794	0.4
71.01382	3.4
72.99303	0.6
73.02959	0.4
74.99104	0.7
85.02971	1.2
89.02469	1.8
96.96019	2.0
97.47959	0.4
98.95634	0.5
101.02419	2.3
105.68996	0.4
107.05025	0.5
113.02466	1.1
118.59493	0.4
119.03519	0.7
125.02472	0.6
136.99155	0.4
137.00690	0.8
137.02507	0.5
151.04077	0.4
152.06989	0.4
153.03889	0.6
163.36514	0.4
169.99681	0.4
282.75449	0.4
338.51175	0.4
350.33109	0.4
387.07687	1.4
443.19171	20.2
444.19769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
60.62075	0.4
70.04562	1.0
70.04980	0.8
70.89490	0.4
71.01346	0.5
78.95898	25.2
79.07932	0.4
96.96937	1.6
98.19925	0.4
125.82478	0.4
150.98036	0.8
152.99573	43.4
171.00624	1.8
177.30850	0.4
227.03207	4.4
233.22743	0.6
245.04332	1.4
253.47145	0.4
259.20593	0.7
277.21692	100.0
278.22025	5.0
278.24875	0.6
291.70792	0.4
298.07938	0.4
413.20819	0.9
487.07852	0.5
505.25677	78.3
506.18411	0.3
506.25906	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	505.3529
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
59.01366	0.3
61.33622	0.2
61.98802	0.4
62.23343	0.2
63.26651	0.2
63.56200	0.2
68.99570	6.4
71.62488	0.2
83.40607	0.2
112.98554	6.8
279.23245	0.7
371.33353	0.4
391.24869	2.3
392.24994	0.2
399.32608	0.3
413.34778	0.3
415.35739	0.5
427.31915	0.3
445.33096	1.1
447.25119	0.3
459.34839	1.5
460.35229	0.3
461.36264	2.1
505.35294	100.0
506.35620	9.6
506.43152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3529
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
54.06531	0.2
61.98843	1.0
68.75021	0.3
70.57452	0.4
70.57800	0.6
72.99329	0.6
76.45036	0.2
83.52818	0.2
84.02188	0.3
84.13824	0.2
84.89866	0.2
95.64916	0.2
96.96017	0.4
110.56223	0.2
111.08121	0.3
111.28685	0.2
231.17532	0.4
233.19034	0.6
247.83424	0.3
255.23166	0.2
270.31573	0.2
271.20621	0.3
367.29922	1.0
369.31601	1.0
379.29996	0.4
381.31577	0.7
383.33136	6.7
384.33389	0.6
385.34662	2.1
395.33151	2.6
397.34659	8.2
398.34995	0.9
411.32559	0.3
413.34192	7.5
414.34714	0.8
415.35770	1.6
423.32306	1.4
425.34360	0.3
441.33633	2.0
443.35226	11.4
444.35535	1.1
445.33102	0.8
459.34732	38.2
460.35059	4.3
461.36261	1.6
487.34225	15.8
488.34665	1.9
505.35275	100.0
506.35617	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	506.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.4
57.41217	0.3
59.01371	1.3
59.81258	0.3
61.98822	100.0
68.36076	0.3
69.72653	1.8
71.01384	0.9
75.00866	2.3
85.02961	0.5
88.98780	0.3
89.02435	0.5
92.43385	0.3
93.03454	1.1
96.96001	2.1
98.20555	0.6
98.95559	0.3
99.00875	1.9
100.02276	0.8
107.05048	0.8
113.02425	0.5
119.05004	1.8
121.02986	0.4
123.04594	0.3
129.01932	0.4
133.02975	0.5
135.04471	0.6
137.00656	2.0
137.06165	0.7
144.01225	0.5
149.06085	0.4
163.04001	2.1
165.05576	1.3
177.05551	0.7
181.05043	7.0
182.05421	0.6
201.05444	0.6
216.73488	0.3
218.00282	0.3
219.06693	0.3
221.04478	1.5
265.53860	0.3
313.09097	0.4
325.09268	2.2
343.10297	1.8
344.10785	0.3
383.09799	5.5
425.11020	0.7
443.12027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59513	0.6
55.01875	0.9
57.03424	1.8
58.00572	1.0
59.01372	34.0
61.98802	1.8
66.92925	0.6
69.03422	1.1
69.66769	3.1
71.01375	39.0
72.01682	0.6
72.99284	1.7
73.02936	10.8
73.04359	0.6
75.00842	0.9
81.03429	0.8
83.01350	2.3
85.02950	10.8
87.00861	3.9
88.98792	1.0
89.02431	32.4
93.03437	1.2
95.01380	0.9
96.95979	1.3
97.02892	0.9
98.19818	1.2
99.00848	2.2
99.04492	1.5
101.02432	16.2
108.02055	0.6
111.00850	2.4
113.02428	6.1
118.98061	1.4
119.03457	2.7
120.99645	0.7
123.02388	0.7
125.02413	2.4
131.03487	15.6
135.04501	1.0
137.02388	2.2
137.09587	0.7
140.96713	0.7
141.20856	0.7
143.03432	0.8
145.02873	1.4
149.04538	11.1
152.01033	0.8
161.02373	1.6
161.04489	0.7
165.01872	1.8
165.05447	0.8
167.03479	0.9
174.01649	0.7
175.02458	0.6
175.03986	1.6
179.03481	1.1
180.04163	1.0
183.10205	1.6
191.05577	10.5
193.12367	1.2
195.06575	1.3
205.37511	0.6
211.13382	1.0
225.07425	0.7
225.11394	0.6
230.58780	0.9
244.22189	0.7
255.02676	0.7
373.18607	1.2
385.22174	0.7
387.23691	2.1
505.22745	100.0
506.23074	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	505.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
57.03432	3.1
59.01373	68.6
61.98827	10.8
69.03431	1.8
69.29233	9.2
69.29667	9.3
71.01373	59.7
72.97527	4.8
72.99307	2.2
73.02935	21.1
74.99084	2.8
83.01378	4.6
85.02930	20.7
85.28575	1.7
87.00859	5.8
89.02429	55.2
93.03454	5.7
95.01364	2.2
99.00883	13.4
101.02433	41.3
107.05095	2.1
109.02911	2.3
111.00849	2.1
113.02440	17.2
115.03957	2.1
115.07568	1.7
117.03468	2.7
118.98100	14.2
119.03479	3.9
119.04952	3.0
125.02425	7.6
131.03502	16.9
131.69426	1.7
137.02414	6.3
143.03462	2.1
145.02936	13.6
149.04526	44.8
151.00598	2.4
161.04544	13.1
163.03993	3.2
167.03427	4.7
177.01875	3.9
191.05571	13.7
213.09178	4.9
220.03534	2.0
225.11333	3.7
241.10739	4.2
293.08786	3.0
313.16522	17.5
385.22314	5.0
423.16949	3.6
445.20667	100.0
446.21002	6.4
461.14740	4.3
462.26099	1.9
505.20807	6.4
505.27563	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.3
58.00595	1.4
58.70155	0.7
59.01375	29.5
61.07211	0.7
61.98825	10.0
71.01378	8.7
73.02917	1.9
75.00890	1.1
78.16996	0.6
78.24681	0.6
83.01392	1.8
84.08350	0.7
85.02951	4.4
87.00863	1.3
88.98795	1.2
89.02452	5.9
93.03453	4.0
96.96009	2.0
97.02940	0.8
99.00855	1.7
101.02426	8.2
111.04510	0.7
113.02434	3.9
117.03474	1.0
119.03470	1.5
125.02426	1.3
131.07138	1.2
135.04509	5.4
137.02409	7.0
143.10760	1.0
145.02904	4.0
147.04497	4.7
161.04543	2.6
163.03973	0.8
175.03989	1.3
179.03511	1.8
179.05611	0.6
187.07657	3.5
189.05611	1.1
191.05586	4.8
209.11803	100.0
210.12109	4.2
235.08168	3.3
253.06667	0.7
253.09286	13.6
257.08112	3.3
309.20663	0.8
343.28607	1.6
445.20856	1.2
445.27072	0.9
461.18094	2.8
505.20569	6.0
505.33817	8.2
506.25705	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	505.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
58.47849	0.7
59.01378	5.6
61.98811	1.5
69.30470	1.5
69.30871	6.8
71.01374	3.1
72.99291	1.1
73.02947	1.8
75.00874	0.7
77.04002	0.7
83.01393	0.7
85.02947	2.6
86.00109	0.9
87.00861	10.6
88.98814	5.0
89.02437	3.3
93.03436	5.0
96.95994	2.8
101.02443	2.0
108.02144	1.1
109.02931	0.9
111.00867	0.9
111.78436	0.9
112.98803	5.1
113.02435	2.3
117.03432	1.3
118.98053	0.7
121.02942	100.0
122.03272	1.3
123.00895	1.4
124.28888	0.7
125.02444	3.7
129.01909	1.5
135.04498	1.3
136.01608	1.0
137.02425	10.6
138.03235	1.1
145.02943	2.7
147.03000	1.4
147.04483	1.2
151.00381	1.9
153.05556	1.1
159.04498	1.1
160.01537	0.9
161.02483	1.5
161.04379	0.7
163.03990	7.6
165.05624	1.0
166.02675	3.3
167.03545	0.8
171.04596	1.0
173.00865	2.7
173.02286	0.9
173.11772	4.2
175.03978	2.1
177.01871	1.8
178.06310	9.2
179.03490	3.2
179.07082	1.1
179.31758	0.7
181.05075	4.5
187.03964	2.1
189.05605	0.8
190.02628	1.0
191.01881	1.0
191.03432	3.0
191.05475	1.1
191.07138	1.9
193.05005	4.5
193.08659	8.9
197.02440	1.0
199.03958	3.4
202.06290	0.8
203.03468	1.9
204.04343	1.1
205.05016	2.1
206.05855	1.2
207.06416	1.3
208.07396	2.4
214.02641	0.8
215.03522	6.4
216.04257	0.9
217.05011	0.8
218.05705	1.2
219.02744	1.4
221.04529	1.0
221.08110	0.8
223.09747	6.9
225.02036	1.5
227.03481	10.0
230.05746	1.5
231.03024	1.1
233.04440	1.2
234.05251	1.1
239.05556	2.3
241.04893	0.9
242.02162	0.8
243.02908	14.5
246.05318	1.0
247.02472	1.8
247.06146	1.9
248.06682	0.9
249.07687	1.6
258.05228	10.4
261.07663	2.3
262.04788	2.9
273.04706	1.4
273.07651	23.1
274.07947	1.3
277.07074	5.8
279.08698	17.3
291.08710	10.9
301.03452	1.1
337.09250	14.8
338.09506	1.1
339.10580	1.3
365.08643	7.3
383.09775	4.3
435.02582	0.7
463.25354	0.9
505.13443	41.0
505.20926	11.6
505.26569	1.7
506.06747	0.8
506.13766	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01376	12.5
59.51685	0.6
60.99305	14.4
61.98826	5.8
71.01378	5.5
71.63039	0.7
73.02936	1.8
83.01358	0.9
85.02946	3.9
87.00885	1.2
88.98801	100.0
89.02419	3.0
89.99178	0.7
93.03459	1.6
93.60500	0.6
95.01425	0.8
101.02442	3.3
109.02946	0.9
113.02434	2.5
113.90453	0.6
117.03458	3.1
119.05009	1.4
121.02901	0.8
123.04533	1.2
125.02446	0.7
131.07124	6.1
132.02170	1.0
134.03770	2.7
135.04503	1.1
137.02400	1.4
144.56743	0.6
145.02936	12.7
146.03259	1.2
147.03497	0.9
153.05515	0.9
160.01610	3.9
161.02519	0.9
161.04515	1.3
163.04007	2.0
172.05289	1.0
174.50494	0.6
175.03996	4.9
177.09233	0.7
187.07640	3.8
189.05560	0.8
191.05615	8.8
191.07204	1.0
192.05894	1.2
193.05051	1.8
199.03987	0.9
209.11845	1.7
211.13391	1.6
213.09155	0.6
227.03255	1.1
228.04137	1.0
235.06088	3.9
257.08136	3.0
265.06995	1.6
277.12915	1.8
283.13422	1.3
295.08200	3.0
387.16632	2.0
415.14069	3.9
461.18002	2.2
467.24442	0.7
495.71188	0.7
504.71329	2.1
505.20352	8.2
505.26828	1.2
505.33771	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	503.3368
Annotation	weigelic acid
Peak:m/z	Relative Intensity
59.01370	2.4
61.98824	1.2
71.05027	0.9
71.62247	1.0
72.48315	0.8
73.02922	2.0
84.68162	0.8
94.95434	0.8
110.92364	0.6
128.78951	0.7
129.09230	0.7
137.02481	0.9
149.42003	0.7
174.69017	0.8
178.19754	0.8
191.14120	0.7
231.17484	1.1
233.19026	2.7
234.19191	1.0
256.96619	0.8
271.20578	1.9
273.22214	1.6
355.29889	3.3
357.31668	1.7
367.29608	1.0
369.31512	3.0
379.30252	0.9
381.27814	0.8
385.31503	1.0
409.30966	2.5
411.32733	1.1
413.30466	2.7
413.34955	1.6
415.32117	1.9
429.33545	16.0
430.34210	1.5
431.35278	2.6
439.32050	1.2
441.33978	0.9
443.22925	3.1
443.31763	1.2
455.31619	0.8
457.33231	15.7
458.33691	1.2
459.34756	1.0
503.33719	100.0
504.34125	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	503.337
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.26677	0.5
59.01366	1.1
61.98823	0.7
64.23348	0.5
71.04977	0.5
71.28668	1.1
72.99283	0.6
76.59624	0.4
79.84769	0.5
185.02213	0.7
191.09537	0.5
232.60451	0.4
250.82703	0.5
383.33063	0.8
432.34036	0.5
443.31180	0.6
457.33096	3.1
459.34729	5.7
460.35217	1.1
475.37769	0.5
485.32742	1.7
503.33722	100.0
504.34073	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	503.3374
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03448	0.3
59.01357	0.5
61.89624	0.2
61.98814	0.2
71.05016	0.5
71.86398	0.2
72.99302	1.1
72.99690	0.2
84.02146	0.3
94.87536	0.2
96.96001	0.5
110.98479	0.3
124.17632	0.3
158.00092	0.3
222.52040	0.3
262.14828	0.2
267.23297	0.9
277.21719	2.1
344.68890	0.2
369.31625	1.2
379.30026	0.3
383.33368	0.4
397.31375	0.3
413.34622	2.2
441.29517	0.6
445.23615	0.9
457.33286	1.0
459.34927	2.2
460.35040	0.3
485.33624	1.3
503.33777	100.0
504.34146	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	505.0982
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
50.90334	0.8
55.01874	0.9
56.75699	0.9
57.03432	3.3
57.83164	0.8
59.01378	11.3
69.61006	5.2
71.01374	11.4
72.99297	1.6
73.02930	1.6
75.00864	4.7
85.02944	21.0
87.00858	9.3
89.02445	1.7
93.77290	0.9
95.01374	6.4
96.96012	1.7
98.19861	1.5
99.00872	8.3
101.02402	1.0
103.00357	3.5
109.02949	1.2
111.00898	1.0
113.02437	36.1
115.00308	2.0
117.01929	2.3
121.02943	12.5
125.02377	0.9
129.01898	3.7
145.02917	1.4
147.02971	2.2
151.03981	1.4
152.01157	0.9
157.01418	1.3
175.02460	10.0
191.01929	2.2
227.03261	1.0
271.02432	28.9
271.05359	1.4
272.02759	1.2
284.03339	1.1
285.04007	1.9
299.01944	46.6
300.02487	2.5
301.03491	1.8
313.03485	4.8
314.04285	38.6
315.04434	1.1
329.06607	100.0
330.06870	6.1
343.11789	2.1
371.07486	1.0
505.09918	10.6
505.17267	1.7
505.27170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54858	0.4
55.01852	0.4
55.59916	0.4
57.03449	1.2
59.01374	100.0
60.01712	0.6
69.03454	1.7
69.74780	1.7
70.04939	0.4
71.01373	3.8
71.04993	0.4
73.02950	2.0
73.74672	0.4
83.01384	0.7
85.02948	1.8
87.00864	0.6
89.02493	0.7
93.03499	0.3
99.00908	0.5
100.02078	0.3
101.02423	3.6
111.08102	0.3
113.02455	1.6
113.06108	0.4
117.03473	1.7
119.05035	2.8
139.11269	8.1
145.02928	6.3
159.03041	0.6
159.04308	0.4
160.01709	0.5
161.04564	5.1
163.03986	4.0
183.10239	45.4
184.10559	0.9
195.06599	0.5
225.11304	1.2
240.78381	0.4
251.15245	0.4
277.12881	22.9
278.13077	0.7
284.03302	1.2
285.04019	1.3
402.59073	0.4
443.22754	0.6
496.84692	0.4
503.11990	1.5
503.20258	2.6
503.33102	2.2
504.21497	0.4
521.55389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3006
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
55.97892	0.3
59.01367	0.6
61.98796	0.4
71.62930	0.4
72.99298	3.2
75.00894	0.4
84.02090	0.4
85.02954	0.5
87.04488	0.9
95.05042	0.7
96.96002	0.8
116.06387	0.3
173.24638	0.3
203.14436	0.6
219.17500	5.2
231.17656	0.6
259.20734	0.4
339.27151	0.5
342.56888	0.4
351.26599	0.4
355.26236	0.6
355.30197	0.6
361.03516	0.4
363.26871	0.8
369.03201	0.4
369.27872	4.1
370.28174	0.4
379.26315	1.4
381.27719	0.5
383.29648	0.8
385.31131	2.2
393.27646	0.4
395.29611	4.6
413.30588	2.6
423.28943	3.8
441.29929	5.7
457.29364	3.3
458.30136	0.4
459.31070	1.2
485.29056	7.0
486.29349	0.7
503.30075	100.0
504.30420	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	503.337
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
56.47746	0.2
57.03444	0.2
59.01378	0.3
71.05003	0.5
72.99293	0.4
77.33478	0.2
97.06584	0.2
118.95317	0.2
150.18102	0.2
154.50661	0.2
159.24594	0.2
177.98235	0.2
233.15361	0.5
338.29892	0.2
343.26566	0.2
383.63040	0.2
413.30222	1.0
427.32001	0.6
457.33151	2.9
458.33444	0.2
467.31421	0.4
485.32458	1.2
503.33713	100.0
504.34088	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	503.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05191	0.4
57.03437	1.7
59.01373	100.0
60.01705	0.6
61.98821	0.6
65.29588	0.5
69.03448	3.3
69.37931	1.4
69.38342	2.8
71.01375	7.1
71.05037	0.7
73.02929	2.9
77.95153	0.4
83.01396	1.1
85.02946	3.1
89.02464	1.1
93.03448	0.9
95.01401	0.8
98.20639	1.0
99.00913	1.2
101.02425	6.9
113.02448	3.1
123.08163	0.5
135.04539	0.7
137.02434	3.1
139.11279	9.3
145.02916	2.2
159.03033	0.9
161.02483	1.7
161.04555	6.1
164.04807	0.8
173.99989	0.5
179.03560	0.5
179.07257	0.8
183.10239	55.7
184.10631	2.2
232.24284	0.5
245.04591	1.0
277.12881	40.0
278.13318	1.8
295.55191	0.5
383.11264	0.9
397.15063	1.8
424.37668	0.6
467.19330	2.2
503.19705	0.7
503.26184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03426	3.3
58.99606	2.0
59.01374	29.0
61.98807	1.9
64.53403	1.2
69.03445	1.7
69.38559	10.1
71.01372	36.8
72.99295	2.2
73.02934	13.7
73.15783	1.1
81.03423	1.3
83.01372	8.1
85.02940	15.8
87.00864	39.0
88.98775	1.3
89.02429	7.1
90.48628	1.0
95.01361	2.9
96.95998	4.3
97.02914	1.6
99.00854	5.3
101.02433	29.8
102.98569	9.9
113.02425	13.6
119.03502	1.7
119.05002	1.2
120.99648	8.6
121.02875	1.7
123.04477	1.4
123.08158	1.3
125.02419	4.6
137.02478	1.8
137.09674	4.3
143.03415	1.4
145.02940	2.7
147.04498	1.8
149.02386	1.4
150.03189	2.3
159.03000	2.6
161.02420	3.5
161.04544	10.6
163.04008	1.2
163.06111	1.7
164.04774	13.4
165.05489	3.0
165.09177	3.2
177.09138	1.3
179.01797	1.2
179.07100	16.3
179.98866	2.7
180.99597	7.1
181.03203	1.6
189.11333	1.4
189.12840	16.1
191.05617	1.9
195.01141	4.7
195.06644	1.5
196.01944	9.4
209.02753	2.7
209.08176	10.0
211.04312	13.6
219.13872	4.3
235.11499	4.5
249.06131	45.1
249.13193	2.1
253.12640	32.6
254.12953	2.6
277.25720	1.3
297.13361	32.4
298.13864	1.5
323.12994	4.0
336.50708	1.2
341.08600	1.4
341.12186	8.5
373.09680	7.3
408.61426	1.6
443.19159	56.0
444.19434	4.4
503.19461	100.0
504.19635	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	503.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98822	1.7
69.88123	0.9
69.88515	0.5
71.01382	0.8
72.91875	0.3
78.95907	2.8
79.95732	2.7
85.02943	0.5
87.00876	0.5
89.02438	0.5
90.10225	0.3
93.03407	0.4
96.96004	100.0
96.96887	4.5
98.20621	0.3
102.83049	0.3
113.02436	0.6
114.34772	0.3
123.04533	0.7
125.02405	0.3
135.02966	0.9
135.04596	0.4
145.03004	0.4
162.06340	0.3
167.03502	0.7
175.06061	0.9
177.01926	0.6
179.03474	0.9
195.03198	0.3
205.01315	0.6
221.04425	0.3
242.66922	0.3
253.44307	0.3
467.21945	0.3
471.47531	0.4
487.62000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03448	0.3
59.01371	5.6
60.11076	0.3
61.98811	0.5
70.93658	0.6
71.01372	3.6
72.99335	0.3
73.02930	0.6
83.01366	0.5
83.04972	0.2
85.02946	1.4
87.00894	0.6
89.02436	1.5
93.03440	0.5
95.01366	0.3
96.95982	0.5
99.00875	0.3
101.02419	2.2
109.02916	0.2
113.02431	1.4
117.03455	25.0
118.03764	0.7
119.03553	0.4
119.05009	6.6
121.02956	0.3
122.34102	0.2
125.02433	0.3
137.02553	0.2
145.02936	100.0
146.03281	2.6
147.04491	0.2
160.01675	0.3
161.04590	0.6
161.06042	0.3
163.03986	8.5
164.04285	0.3
165.05623	0.3
173.04565	0.3
173.11693	0.2
175.03989	0.4
177.09132	0.3
179.94769	0.2
183.10239	1.1
195.02977	0.4
195.10178	0.5
205.05020	0.6
221.67630	0.3
255.05031	0.4
265.07043	0.6
277.12729	0.5
411.36813	0.3
449.14682	0.4
503.19153	57.8
504.19443	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1191
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03436	0.8
59.01375	10.2
59.25692	0.4
59.92262	0.5
61.98822	1.8
63.02365	0.5
65.50558	0.5
69.03458	0.6
71.01376	6.5
71.62889	0.6
72.99290	0.6
73.02954	1.2
77.35854	0.4
80.15546	0.5
81.99838	0.5
83.01367	0.7
84.18086	0.5
85.02940	2.2
85.23339	0.4
87.00884	0.5
89.02435	6.4
93.03453	0.8
95.01377	0.7
95.49180	0.5
96.02058	0.4
96.96010	1.6
99.00877	0.6
101.02423	4.3
107.01405	0.8
109.32406	0.5
113.02464	2.7
113.03146	0.5
117.03457	1.5
119.03496	1.8
119.04980	0.7
123.04496	0.5
125.02444	1.0
129.09119	0.6
131.03477	0.6
133.02957	0.8
134.03748	0.5
135.04494	1.4
135.06633	0.7
135.11781	0.5
137.02426	1.6
139.03932	1.1
143.03471	0.5
145.02943	5.7
147.04594	0.7
149.04581	0.9
151.00322	1.2
153.01985	0.6
161.02475	1.1
161.04510	0.9
161.09679	0.7
163.03970	0.7
175.09761	1.7
179.05634	0.9
179.10764	2.7
191.05598	0.9
195.06613	1.4
225.11261	1.0
227.03355	1.0
255.02953	80.2
256.03418	4.9
269.04501	3.2
270.04745	0.6
283.02448	55.1
284.03189	23.3
285.03867	2.6
297.04025	11.7
297.11938	1.2
298.04776	10.7
299.05542	21.0
300.05917	0.9
307.08267	2.6
311.15015	1.3
313.03613	3.0
313.06628	0.5
327.14267	0.6
341.06595	1.2
378.26083	0.5
440.16232	0.6
443.19110	7.4
465.11789	0.9
467.19177	3.9
488.09525	15.9
489.09842	1.1
503.11862	100.0
503.24124	4.0
504.12198	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	501.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53753	1.2
57.91049	1.0
61.45860	0.9
69.74041	6.2
111.84750	1.2
149.09706	24.0
151.71873	1.1
163.11272	84.5
164.11583	3.3
325.21677	24.0
326.21924	1.9
337.21790	8.9
353.98154	1.3
501.33701	100.0
502.34070	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	503.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59789	2.5
59.01373	64.0
61.34365	2.5
61.98821	7.9
63.74636	2.8
71.01371	13.0
71.20889	5.5
72.99293	6.4
74.10426	3.7
81.69925	2.6
85.02959	4.2
87.00900	3.4
89.02428	17.5
96.95981	9.2
99.07958	2.8
101.02392	6.7
113.02421	4.6
116.89287	2.7
119.03488	3.4
119.04977	6.1
125.02412	9.2
133.05054	33.5
142.45584	2.6
147.04504	100.0
148.04877	2.8
163.11308	3.2
165.05554	96.3
174.95401	2.7
177.01891	18.2
177.48016	3.0
207.06616	60.3
208.45078	2.8
277.66977	3.8
329.31851	3.2
350.52924	2.9
369.15552	7.7
387.16418	15.5
424.29233	2.9
459.18661	6.3
503.21411	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14690	0.2
56.50846	0.2
70.89838	0.4
73.45120	0.2
78.95911	1.1
79.95731	2.7
82.71767	0.2
96.96004	100.0
96.96991	2.5
125.02419	0.3
191.05595	0.2
192.30737	0.2
200.04884	0.2
238.52940	0.2
332.76703	0.2
336.79999	0.2
434.16544	0.2
501.16257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12481	0.2
59.01358	0.2
61.98816	0.5
69.88939	0.7
71.01369	0.2
75.82049	0.2
78.95901	1.0
79.95737	2.8
85.02975	0.4
88.98801	0.7
93.03466	0.4
93.60011	0.1
96.96004	100.0
98.20541	0.2
101.02406	0.3
125.02463	0.2
137.02383	0.2
173.04517	0.9
179.03532	0.2
262.44165	0.2
441.19589	0.3
464.75073	0.2
501.16031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85820	1.3
57.03424	1.7
58.00579	3.3
59.01371	100.0
60.46296	1.3
61.11753	1.7
61.98824	4.7
69.03455	6.3
71.01376	59.4
71.63007	1.7
72.99303	5.8
73.02937	25.6
81.03455	5.2
83.01384	5.0
85.02925	22.1
87.00861	3.4
87.04514	2.3
87.35818	1.7
88.98808	3.5
89.02431	35.6
93.03449	2.6
95.01397	2.8
95.04997	1.5
96.95999	35.9
97.02933	12.1
99.00845	2.9
101.02428	41.3
103.03996	33.4
109.02910	2.1
113.02436	4.4
117.26188	1.4
119.03490	16.6
125.02425	45.0
127.04025	3.5
131.03439	1.4
133.06583	37.5
137.02425	3.2
143.03516	2.6
145.05045	7.5
151.00427	2.4
151.04077	1.7
161.04567	2.8
163.06104	41.0
167.03496	2.6
169.04805	1.6
177.01802	1.9
179.05334	1.6
179.10750	4.0
193.01427	2.9
199.09778	1.7
205.07126	1.5
209.08154	2.9
235.06285	1.8
237.07555	2.6
247.08186	10.6
265.10815	2.6
285.04218	1.7
289.09393	2.4
307.10306	43.3
322.98932	1.4
325.12994	1.8
357.44113	1.7
409.53116	1.7
432.56619	2.1
463.11935	2.2
501.19421	5.9
501.24689	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	501.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76973	0.8
57.03429	1.2
58.00574	0.8
59.01094	1.4
59.01371	20.6
61.98798	1.2
69.03406	1.1
71.01380	6.9
71.63351	0.7
71.63757	0.9
73.02942	12.6
83.01383	1.1
83.05006	1.3
85.02939	4.3
87.04501	6.9
88.98766	2.9
89.02427	3.7
95.05019	1.2
96.95966	1.3
97.02905	1.5
99.00885	0.7
101.02435	6.8
113.02415	3.0
116.90982	0.7
119.03488	1.4
125.02411	1.4
131.07155	1.2
134.06076	1.3
135.08109	1.8
135.11716	1.2
137.09703	18.8
139.03963	1.2
139.11255	2.2
142.03891	0.8
145.02910	1.2
146.72882	0.8
148.02548	0.8
149.06004	0.8
155.10759	88.9
156.11032	2.4
157.05121	4.1
161.04567	1.0
167.07120	1.9
169.12349	4.7
177.01854	1.5
179.10748	5.8
181.08629	4.5
183.10240	5.6
189.01793	1.2
197.11784	1.4
199.09732	49.8
200.10104	1.3
203.10860	0.9
213.11287	4.1
221.11758	1.7
223.09654	4.5
241.10791	19.1
265.10599	1.2
275.11218	1.1
301.12924	5.5
325.12875	2.0
341.06317	2.7
349.16229	0.7
385.15192	1.3
423.46402	0.9
457.20541	3.9
465.11710	4.8
465.17392	0.8
478.28027	0.8
501.19589	100.0
502.20050	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	501.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00084	1.3
55.08150	1.5
55.18037	1.3
58.00576	1.7
59.01373	100.0
61.98806	3.7
68.93127	1.3
69.03447	3.8
69.50746	10.5
71.01372	27.2
73.02940	25.5
75.00863	1.8
77.09281	1.3
82.95406	21.9
83.01370	4.1
85.02955	9.0
85.06555	1.8
87.00828	1.7
87.04494	3.1
88.71548	1.4
89.02435	17.7
93.03400	1.3
94.87535	1.3
95.01393	1.5
96.95983	1.8
97.02931	2.3
98.19877	2.2
99.00858	1.4
99.04517	1.2
101.02438	25.3
109.06606	1.5
113.02431	15.3
119.03520	7.9
119.04987	6.9
122.56346	1.3
125.02483	1.9
130.83597	1.6
131.03458	2.5
131.07109	4.4
133.02910	2.4
135.11739	3.2
139.11237	3.8
143.03517	1.5
145.02895	3.2
148.77551	1.6
155.10753	5.9
159.11740	3.5
160.01616	2.5
161.04552	7.5
161.09637	5.8
163.03966	3.1
164.07141	1.8
177.12810	4.1
178.04997	1.6
179.05560	5.3
179.10739	22.6
183.10229	20.5
184.10555	1.9
193.12299	3.3
199.09605	2.3
203.10774	1.9
221.06517	2.6
221.11803	8.3
221.64389	1.4
223.09714	6.6
253.83813	1.5
265.10672	2.7
275.11243	4.4
295.10065	1.5
323.07553	2.5
325.12717	4.0
340.10452	1.8
341.06470	1.7
427.15952	2.4
427.37161	1.5
457.20834	11.1
458.20932	1.7
501.19363	43.0
502.20178	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
58.00578	0.6
59.01375	17.0
64.70749	0.4
65.06486	0.4
69.03439	0.5
69.36475	0.4
71.01381	12.6
71.21567	0.4
72.99308	0.7
73.02939	1.8
74.36000	0.5
81.03448	0.8
83.01399	0.6
83.04991	0.7
85.02942	1.7
87.00851	1.2
87.61318	0.4
88.98774	0.5
89.02435	20.5
91.95691	0.5
93.03469	0.6
93.98583	0.4
96.95989	2.3
97.02937	0.5
101.02431	6.3
103.05527	1.9
109.02940	0.6
111.04514	2.1
113.02439	2.0
119.03499	1.0
119.05005	2.1
125.02442	4.4
131.03481	5.5
143.03474	0.7
147.04507	100.0
148.04802	2.4
149.04552	10.5
161.06042	0.6
164.43565	0.5
181.08614	0.9
189.05441	0.8
191.05606	3.6
199.09686	0.5
229.39726	0.5
229.74561	0.5
233.06735	1.0
241.10695	0.5
261.04776	0.5
283.46283	0.4
293.08768	12.0
294.09082	0.6
301.03445	0.5
441.13773	3.0
457.24356	0.5
501.19769	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	499.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10233	0.2
59.01365	0.3
78.95889	0.9
79.95730	2.9
82.22962	0.2
96.96001	100.0
120.59695	0.3
135.61795	0.2
161.02399	0.3
239.75122	0.2
249.59756	0.2
299.87311	0.2
333.47049	0.2
341.61606	0.2
499.14490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87245	0.9
57.03444	80.9
59.01378	16.0
61.98830	6.7
69.87029	0.9
71.01382	9.8
71.62682	1.0
73.02937	5.4
75.00884	5.3
80.91656	1.7
81.03465	1.8
82.95459	1.1
83.01371	1.7
85.02950	3.9
89.02435	4.2
93.03463	2.3
96.95988	2.6
97.35011	0.9
99.04510	45.4
101.02428	15.6
107.04972	0.9
108.02132	1.8
109.02946	3.2
113.02422	3.1
115.80608	1.0
119.03472	1.1
121.02935	3.3
123.04542	1.1
123.92574	1.0
125.02438	18.3
127.03999	1.0
131.03439	4.8
135.04535	7.7
135.08206	1.2
137.02411	1.7
143.03465	1.8
145.02989	5.3
147.04518	1.3
151.07686	1.6
152.01100	2.5
153.01910	1.0
153.09155	2.7
161.02521	1.2
161.04544	2.7
163.03998	68.1
164.04337	2.0
178.06342	69.3
179.06799	1.5
179.10783	5.0
181.05031	1.7
191.03493	1.1
191.05605	2.1
191.50526	0.9
192.71138	1.0
193.08675	100.0
194.08946	4.7
221.11708	1.8
293.08615	1.2
461.17850	1.2
463.17099	1.2
499.18350	13.4
499.33228	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	499.1819
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.01838	1.4
56.94188	1.1
57.03421	2.4
59.01377	31.2
61.98816	4.5
65.92503	1.2
69.89592	4.6
69.89999	2.5
71.01376	15.9
72.79668	1.1
72.99306	1.6
73.02937	4.4
74.11530	1.1
82.95384	2.1
83.01372	1.6
83.05007	1.3
85.02943	8.1
87.00881	1.7
89.02453	8.3
89.38557	1.1
93.03445	9.3
96.95986	8.4
97.02927	5.6
99.04467	1.7
101.02419	7.8
107.05005	1.3
108.02140	5.5
109.02950	9.6
109.06573	4.5
111.04485	2.0
113.02422	4.3
113.06118	2.1
119.03475	3.7
119.04954	1.2
121.02904	4.2
123.04475	4.6
124.01630	1.5
125.02438	8.0
125.06033	1.7
127.03969	3.3
129.17014	1.3
133.10236	12.4
135.08138	5.2
137.02446	19.9
137.09680	2.1
145.02931	2.8
147.04437	1.4
149.09608	1.6
149.99599	2.2
151.11229	2.9
152.01036	1.6
153.01707	1.2
153.09198	40.6
167.03427	1.5
167.10757	13.5
168.00569	5.8
177.09142	3.2
177.26791	1.3
179.07098	1.6
179.10840	1.3
187.06094	4.0
191.03491	2.5
195.10237	11.9
197.08168	17.4
213.09259	2.5
225.11215	2.0
239.09155	4.8
299.11249	5.0
303.10767	2.9
319.10300	1.6
319.33786	1.2
333.09201	1.3
339.09488	1.4
342.85281	1.3
381.15585	1.8
419.13281	5.1
423.16534	1.3
455.18936	7.1
499.17999	100.0
500.18420	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	500.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01369	4.8
61.98822	100.0
66.95904	0.5
71.01371	1.2
71.62548	0.5
71.62894	0.4
78.29144	0.3
82.95403	7.6
83.01397	0.7
84.00905	1.7
84.95102	3.5
85.02953	0.5
89.02434	0.9
96.96014	0.4
101.02438	0.9
109.02977	0.9
111.00886	1.0
113.02457	0.6
117.03488	0.8
118.64144	0.4
119.05048	0.5
121.02919	1.1
125.02429	5.1
126.02762	1.7
127.03965	0.6
137.02428	0.8
145.02916	2.8
161.02402	0.5
163.04018	0.4
190.64355	0.4
237.39648	0.4
267.06647	0.4
415.14169	0.9
500.20166	2.4
501.22809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
61.98824	100.0
69.32685	1.9
71.01379	0.7
76.41040	0.2
85.02960	0.3
86.47294	0.2
89.02440	0.2
96.96017	0.4
98.20697	0.3
101.02441	0.4
101.06090	0.5
104.27729	0.2
113.02436	0.3
125.02441	0.3
127.93735	0.2
137.02419	0.4
141.57593	0.2
145.66173	0.2
183.10211	0.3
357.26553	0.3
500.28329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31829	0.4
59.01373	74.4
60.01716	0.8
69.43773	2.7
81.05605	0.3
90.97127	0.8
98.20702	0.5
111.97358	0.3
118.04339	0.3
132.98190	1.6
134.97070	0.6
157.03540	3.5
158.03586	0.3
159.01466	1.2
174.97670	0.7
174.99220	21.7
201.02518	31.9
202.02670	2.1
217.00264	100.0
218.00623	1.4
270.94019	0.4
276.98291	1.0
343.03732	3.0
359.01410	68.1
360.01617	5.2
361.86917	0.4
400.04550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1553
Annotation	Schisandrene
Peak:m/z	Relative Intensity
51.59124	0.4
57.03440	1.5
59.01374	4.8
60.39207	0.4
61.98821	1.3
69.03455	0.5
69.52701	0.4
70.93529	1.2
71.01377	1.0
77.08565	0.4
81.03455	1.4
83.01377	3.7
83.05026	0.9
85.02949	0.4
89.02412	0.9
93.03454	20.8
94.03806	0.6
95.05019	5.4
97.02950	5.8
97.63966	0.4
101.02438	1.3
105.25593	0.4
107.05008	1.6
107.30987	0.4
108.02119	0.9
109.02946	18.4
113.02474	0.8
117.03444	0.7
118.82906	0.5
119.05024	4.0
121.02950	4.0
122.02972	0.4
122.03759	1.4
123.00865	0.7
123.04518	13.9
125.02459	5.1
127.19170	0.4
131.04990	0.4
133.02937	0.7
135.04506	1.9
137.01413	0.9
137.02440	14.1
139.03999	6.7
145.02930	1.5
145.06546	0.8
146.03816	0.9
147.04512	7.1
149.02435	17.0
150.03180	1.0
151.03998	10.9
155.04915	0.4
157.06604	0.9
159.04527	2.2
159.08086	0.6
161.02443	6.1
161.06052	5.1
162.03229	2.0
163.04012	2.4
163.07593	2.3
164.01094	1.0
165.01924	1.9
165.05539	0.9
167.03442	0.6
169.06541	0.5
169.62775	0.4
173.06136	0.7
174.03171	0.4
175.04021	3.0
175.07581	1.2
176.01147	1.3
177.01913	2.2
177.05574	0.7
178.02681	1.1
179.03505	4.1
183.08138	1.3
185.06009	1.8
187.03952	4.7
187.07561	0.9
188.04736	1.9
189.02008	0.7
189.05466	1.0
189.09172	1.0
190.02550	0.4
191.03479	3.1
197.05984	1.4
199.07536	1.0
201.05542	1.6
201.09200	6.1
202.06314	3.0
203.07120	18.1
204.07457	0.5
205.05051	7.0
211.04054	0.6
212.04663	0.6
213.05569	2.5
215.05165	0.9
215.07101	13.3
215.09203	0.7
221.08089	1.3
225.05769	0.5
226.06195	0.4
227.07030	2.8
229.05057	1.1
231.02931	1.2
231.06602	1.2
233.08064	0.5
239.07027	0.6
243.06651	3.8
245.08162	11.5
247.06068	4.8
251.06944	0.5
255.06584	1.8
255.10356	0.6
257.08163	2.8
259.06033	1.3
267.06506	0.8
269.08215	1.3
271.06100	1.2
285.07550	0.8
289.07156	19.4
290.07562	1.1
301.07126	8.5
307.13434	0.8
309.11255	2.2
313.07162	1.2
327.12314	1.8
333.11258	1.0
349.10788	7.1
350.11142	0.8
351.12363	4.3
353.10217	1.3
357.26544	0.5
363.12134	0.9
395.11288	33.9
396.11554	2.3
407.11319	13.0
408.11618	1.0
416.65500	0.5
439.15250	0.5
457.16483	3.5
501.15503	100.0
502.15842	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	498.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94523	0.2
53.67656	0.2
59.01377	1.2
61.98824	100.0
62.23127	0.2
69.69967	1.2
73.21073	0.2
82.95419	0.4
91.68663	0.2
98.20599	0.4
99.08176	0.4
101.02457	0.4
121.02960	0.3
125.02438	0.6
145.02975	0.6
145.08720	0.9
161.67485	0.2
221.06346	0.2
340.91293	0.2
399.82397	0.2
409.50571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.3
61.98828	18.9
70.30110	1.1
71.42421	1.9
78.95933	1.5
85.05240	1.2
90.55337	1.0
115.48989	1.1
125.02434	100.0
125.78442	1.1
126.02796	1.8
145.50107	1.0
166.24332	1.2
172.53745	1.0
242.10498	1.3
327.63083	1.1
341.97275	1.3
348.64502	1.2
406.58090	1.1
435.23706	13.8
440.32819	1.3
447.88864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.9
60.01680	0.6
61.16193	0.5
61.98823	100.0
63.58985	0.4
71.01361	0.9
71.62915	0.6
71.63332	0.6
96.96011	2.0
101.02414	0.7
101.06122	0.6
112.37682	0.4
137.02423	0.9
137.75482	0.4
142.78188	0.4
146.27512	0.5
149.02374	0.5
150.03209	0.7
151.00359	0.9
161.02440	0.8
161.04561	0.9
165.11902	0.5
183.10274	1.2
184.10654	0.5
241.18056	0.5
255.03041	0.7
275.00671	0.5
283.02417	0.8
288.00198	0.4
338.58533	0.5
351.98544	0.5
393.44098	0.6
498.26926	1.7
499.20367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54157	0.5
58.76823	0.5
61.98822	100.0
65.78107	0.5
71.61758	1.0
81.03435	2.7
104.55074	0.5
105.98537	0.5
107.03616	0.5
110.29399	0.6
118.51808	0.5
122.03766	1.1
125.02430	2.7
134.04544	0.6
204.33246	0.5
250.52972	0.5
270.25266	0.6
309.96619	0.6
344.76801	0.5
391.32169	3.7
435.31094	57.6
436.31445	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	497.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96756	0.4
57.03430	0.7
59.01374	100.0
60.01724	0.7
61.98835	2.0
69.48457	1.1
69.48865	1.9
71.01373	12.0
72.99329	0.4
73.02946	2.0
75.00876	0.4
83.01396	1.4
85.02957	3.2
87.00880	1.0
89.02438	14.2
95.01369	0.7
96.95999	3.0
96.96951	0.4
98.41897	0.4
99.00895	0.8
101.02441	10.1
101.03024	0.3
110.41148	0.4
113.02440	6.2
119.03483	6.7
125.02433	0.8
130.30988	0.4
131.03506	1.2
139.11281	1.2
143.03525	1.9
145.02983	1.9
149.04526	0.7
159.03036	0.4
160.01639	0.5
161.04543	3.1
167.03522	0.8
175.04005	0.7
179.05588	5.3
183.10255	4.9
188.84100	0.4
226.92482	0.4
284.53857	0.4
305.19791	1.2
309.17126	0.6
331.17725	1.3
409.04361	0.5
437.24777	11.1
438.25262	0.6
497.23340	2.0
498.27136	0.6
519.69482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60731	0.3
59.01377	1.3
61.98824	100.0
66.44952	0.3
71.01390	0.8
71.68459	0.2
81.03460	0.4
83.01376	0.3
83.55221	0.2
89.02448	0.5
93.03471	1.1
95.19354	0.2
96.96023	0.5
97.03660	0.2
101.02467	0.5
111.08085	0.3
118.03759	0.3
119.05033	1.1
123.04510	2.2
125.02435	2.1
137.02437	1.9
138.02747	0.3
139.03969	0.4
145.02985	0.8
149.02368	0.3
150.34206	0.3
151.00397	0.3
167.03476	5.5
179.03520	0.8
191.05675	0.3
273.07645	9.9
274.08145	0.5
297.40204	0.3
405.16324	0.2
435.12936	2.8
498.17825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
57.02167	1.6
57.03429	3.7
59.01374	82.1
61.98828	16.7
66.69358	1.6
69.03443	4.3
69.24882	8.0
69.25307	5.1
71.01375	36.0
72.99291	2.1
73.02943	15.4
78.95895	3.4
79.95744	1.9
83.01376	6.3
85.02943	16.6
87.00875	2.3
89.02429	14.4
93.03458	1.6
95.01387	3.3
96.96006	30.3
96.96650	1.7
97.02919	2.1
99.00880	7.5
101.02435	33.5
109.02909	1.5
113.02434	14.6
119.03464	5.8
121.02936	3.0
123.04496	5.2
123.08118	1.7
125.02413	5.8
135.08138	6.0
137.02397	2.4
139.03966	1.5
139.11263	4.8
143.03520	1.8
145.02917	3.5
149.04605	1.4
151.84303	1.4
159.03011	1.7
161.04549	12.1
167.03473	11.3
167.07129	3.0
179.05557	3.2
182.46669	1.4
183.10242	30.6
191.05576	2.0
266.59753	1.4
285.04007	1.5
305.19635	23.0
309.17126	11.3
420.22815	1.5
437.23880	100.0
438.24008	7.3
446.36356	1.6
497.23343	4.1
497.35120	2.9
498.27045	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	497.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
57.03443	3.1
58.00594	1.1
59.01375	46.4
61.98825	7.8
70.36661	0.9
71.01378	33.3
71.63146	1.2
72.99299	2.3
73.02945	19.2
83.01374	10.6
85.02950	19.3
87.00861	1.4
89.02447	4.2
93.03454	1.4
95.01398	2.0
96.96024	6.1
97.02937	2.0
99.00835	5.2
101.02435	40.0
103.04059	1.1
108.02185	3.3
109.02957	3.6
111.00876	1.0
113.02435	15.1
117.03484	1.4
121.02944	1.3
122.08855	0.9
123.04490	1.1
125.02433	5.0
125.48536	0.9
129.01973	1.2
134.03754	2.8
135.08160	1.0
137.02411	2.7
143.03464	1.7
145.02943	4.1
145.05064	1.1
147.04503	2.1
151.04030	0.9
151.07677	1.2
152.01186	1.9
156.56654	0.9
159.03000	2.1
161.02415	3.3
161.04533	12.2
162.02798	1.3
163.04054	0.9
167.03467	1.6
176.84605	1.0
191.03581	1.9
193.05003	2.9
291.18112	55.8
292.18506	2.6
369.87842	1.0
437.23862	100.0
438.24481	6.0
497.21893	8.7
497.29684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44495	0.3
55.01898	0.4
55.87803	0.3
57.03450	2.3
59.01374	5.2
61.98816	3.6
65.00314	0.8
65.22052	0.3
71.01375	4.0
71.05016	0.7
73.02942	1.2
74.15363	0.3
81.03448	6.2
83.01369	2.4
83.05003	0.8
85.02964	1.7
89.02418	1.0
95.01408	0.6
95.05016	0.5
96.96008	1.9
97.02962	0.5
97.06590	0.7
98.19801	0.5
99.00886	0.4
101.02445	2.6
101.06059	0.6
101.92832	0.4
107.01376	1.0
108.03765	0.3
109.02926	0.5
113.02439	1.6
117.03464	0.5
119.05003	0.7
121.02940	1.2
121.06572	0.4
122.03720	1.2
123.04511	0.7
125.02436	17.8
126.02767	0.5
126.69120	0.4
135.08167	0.5
135.11778	2.9
136.05299	0.4
137.02422	0.6
139.04002	0.9
143.09166	0.3
145.02936	1.5
149.02483	0.8
151.00386	1.0
151.07620	0.7
151.40253	0.4
160.01637	1.3
161.02434	0.5
161.04552	1.9
161.09622	0.4
165.12773	1.4
167.03465	0.7
175.03996	1.1
179.10747	10.1
181.15918	0.5
183.10231	0.4
201.11314	1.0
203.10634	0.4
205.03427	0.4
205.15945	2.2
207.13847	2.1
209.11775	1.1
227.12697	0.5
247.16924	1.8
249.14980	0.9
251.12909	2.5
265.10678	0.4
273.14798	0.9
291.10965	0.5
291.15982	8.0
305.19675	0.5
317.13953	0.4
335.14951	100.0
336.15302	6.9
359.14981	0.5
377.15930	0.5
395.14151	0.4
437.23944	2.3
439.27069	2.1
497.20264	3.7
497.31381	1.4
498.20749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43073	1.3
59.01371	8.9
61.91281	1.5
69.88622	7.2
71.01375	4.0
78.03481	2.0
79.95723	2.3
80.05052	7.2
84.49712	1.4
85.02940	1.7
88.98795	1.3
89.02464	3.6
94.02969	1.7
94.06615	10.3
96.08165	3.3
96.96004	24.3
97.01659	3.0
98.63128	1.5
101.02417	3.7
101.92001	1.5
104.05036	1.6
106.03012	6.8
106.06602	3.4
108.04549	5.1
109.02922	2.4
109.05332	3.0
117.05560	3.7
120.04571	11.5
121.02893	2.0
121.05361	7.3
122.06114	35.3
123.04501	4.3
123.06905	2.9
124.03999	2.7
124.07668	43.0
125.02443	1.9
135.04530	2.3
136.04028	14.7
138.05583	2.7
140.07193	2.1
148.04036	75.8
149.04543	3.8
150.03207	2.2
150.05597	33.0
152.03436	2.1
159.06621	2.4
161.02425	1.4
165.05513	2.7
166.05087	10.4
168.06665	7.7
171.09288	1.4
174.40042	1.3
179.03331	1.8
184.06229	1.9
191.05521	3.3
192.02977	1.4
194.04552	2.8
197.07127	4.5
198.07996	1.6
200.09445	2.9
210.04085	5.7
211.08614	2.0
212.09424	7.6
213.10335	2.7
215.08267	4.0
215.11830	8.2
216.10330	1.9
225.06741	8.1
225.10194	2.6
226.07520	2.5
226.11026	3.1
227.08270	3.6
227.11852	23.7
228.08894	3.8
229.09804	3.3
229.13432	3.9
230.10585	4.4
231.11371	22.6
240.09001	13.1
241.09692	10.4
242.10435	1.7
243.11305	17.5
244.12106	4.6
245.12863	2.8
255.11333	30.2
256.11633	1.7
257.09418	1.5
271.10764	1.8
272.11612	9.1
273.12415	62.4
274.09558	3.3
274.12717	4.0
275.10379	18.8
280.60162	1.4
287.10193	3.0
290.12708	2.7
291.13535	6.7
299.10388	16.0
300.10672	1.5
316.10590	25.0
317.11365	100.0
318.11700	5.6
334.11563	9.4
335.12433	26.8
356.09491	1.5
437.15570	31.9
438.15787	2.2
479.16675	82.6
480.16983	6.2
497.09698	20.9
497.17606	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25054	2.6
58.54018	3.2
58.96046	2.6
59.01383	18.2
69.79079	5.5
69.79487	15.0
71.01375	7.0
80.05055	6.2
85.02961	3.7
89.02467	4.9
94.06607	6.4
96.95977	24.8
101.02414	5.3
106.06586	4.4
109.02924	3.7
110.63812	3.0
113.02450	3.7
116.48248	2.6
120.04559	11.1
120.99655	9.1
121.02980	3.3
121.05293	6.5
122.06106	31.7
123.04523	4.4
124.07660	41.7
125.02418	3.6
127.78909	2.5
135.04489	3.0
136.04013	6.8
138.05574	4.3
140.07117	5.3
148.04028	74.5
148.07800	2.8
149.02382	3.2
150.03180	12.8
150.05571	24.5
151.03981	6.5
161.02415	4.5
165.05518	10.8
166.05112	9.3
168.06630	5.7
179.07048	2.9
181.05035	5.3
184.06250	2.9
191.05574	3.2
194.04605	3.5
195.06526	5.4
197.07022	8.0
200.09489	6.6
210.04015	3.8
211.08792	5.7
212.09576	8.7
213.10344	6.0
215.11884	27.1
216.12300	3.0
225.06688	29.0
225.10283	6.3
226.11162	4.3
227.11868	30.9
229.13405	4.1
231.11269	7.6
240.09021	23.2
243.11371	17.7
244.11987	3.2
255.11354	57.3
255.13885	5.1
257.09152	3.3
271.10727	4.2
272.11447	3.1
273.12396	92.8
274.12653	4.9
275.10370	4.3
287.10294	6.5
288.50662	2.9
291.13416	14.8
299.10461	21.9
316.10587	9.4
317.11392	100.0
317.15094	5.7
318.11734	6.4
331.46600	3.5
334.11685	5.5
335.12399	38.6
355.07526	3.4
437.15408	7.4
479.16626	96.4
480.16898	5.2
497.17502	25.6
510.76309	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	497.1662
Annotation	Globulusin B
Peak:m/z	Relative Intensity
58.96041	0.5
59.01376	3.6
61.98828	4.3
67.18958	0.5
69.03450	2.6
69.66417	3.1
70.64584	0.4
71.00888	0.4
71.01366	2.7
71.16097	0.5
72.99302	0.6
73.02956	1.1
81.03434	0.5
82.25723	0.5
83.01367	0.9
85.02914	1.1
87.26125	0.5
89.02419	1.3
93.03452	3.5
95.01355	1.5
96.96021	5.1
97.02949	2.4
99.00893	0.7
101.02425	1.2
106.06609	1.7
107.01346	1.4
107.06965	0.8
108.02113	0.8
109.02923	1.5
113.02403	1.1
117.03429	0.9
121.02917	0.7
123.00884	5.9
123.04478	1.1
124.01657	20.7
125.02442	46.4
126.02768	1.0
135.04443	0.7
135.52676	0.5
137.02425	9.1
143.10741	2.0
145.02914	2.4
149.99576	25.2
150.05580	1.0
151.00377	2.6
151.03963	0.6
151.05884	0.7
152.01088	0.6
161.04453	0.6
164.07094	0.9
165.07523	0.8
167.03427	1.8
168.00626	52.5
169.01399	4.1
171.10233	4.9
177.03955	0.6
179.03470	0.6
179.05600	0.5
183.10193	0.9
190.02554	0.5
191.03487	0.8
191.05513	0.8
192.06573	1.2
193.06900	0.8
219.06668	0.7
237.11086	0.8
243.88846	0.6
261.07623	1.7
307.86313	0.5
313.05615	1.1
335.47751	0.5
408.06918	0.5
497.16443	100.0
498.16827	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
61.61747	0.4
61.98819	4.4
62.46410	0.5
67.22398	0.4
69.03447	2.8
71.01382	3.1
71.62710	0.8
72.99299	0.6
73.02921	0.6
79.01888	1.0
81.03440	1.2
83.01375	1.1
85.02924	1.1
89.02427	1.9
90.27134	0.5
93.03444	4.4
95.01353	1.8
95.95226	0.5
96.95435	0.6
96.96004	7.3
97.02967	2.5
97.03452	0.4
101.02416	0.9
102.93948	0.4
103.00393	0.5
106.06577	1.2
107.01357	1.9
107.06950	1.1
108.02134	1.3
109.02908	1.8
113.02422	1.3
115.53358	0.4
119.05003	0.7
119.44564	0.4
123.00873	7.0
123.04466	0.6
124.01653	21.5
125.02437	50.7
126.02708	0.8
135.04460	0.9
137.01453	0.6
137.02422	9.3
138.97078	0.5
143.10760	2.6
145.02931	2.3
149.04446	0.9
149.06058	0.6
149.99568	29.7
150.05563	1.3
151.00398	3.4
151.03946	0.9
151.05893	0.9
153.01849	0.7
163.03973	0.9
164.07156	0.6
165.07433	0.7
167.03456	1.4
168.00624	59.5
169.01346	4.9
171.10226	3.1
175.03960	0.9
179.03491	0.6
183.10202	1.0
191.03340	0.5
191.05540	1.0
192.06506	0.9
198.99036	0.7
211.02263	0.6
261.07516	2.0
293.08652	1.0
313.05502	1.4
497.16379	100.0
498.16547	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	496.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34530	1.0
55.69429	1.1
61.98825	100.0
62.33630	1.1
81.03436	4.6
97.12757	1.1
123.44093	1.2
125.02423	3.7
125.09691	1.9
156.98360	1.0
185.04520	1.3
187.09706	1.2
269.24759	4.4
298.63605	1.1
317.70325	1.0
347.29752	1.2
361.88074	1.1
389.30377	3.8
433.29520	52.4
434.30011	6.1
497.28671	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.00606	0.5
59.01373	100.0
59.17670	0.4
60.01689	0.7
60.93759	0.5
61.98827	7.2
65.00332	1.4
71.01382	6.4
71.05021	0.5
71.63042	0.8
73.02946	1.0
75.00867	0.4
79.71582	0.4
83.01405	1.2
85.02966	2.1
89.02433	5.6
96.95984	0.9
101.02444	4.6
107.01366	2.2
108.02191	1.6
113.02450	3.2
117.03430	2.5
119.03484	2.3
119.05043	1.2
121.02970	2.0
125.02441	2.0
133.02963	0.5
134.03729	1.5
135.04538	3.9
136.01631	0.9
137.02405	0.6
143.03543	0.6
145.02942	9.8
151.00360	6.1
159.03049	0.6
161.02435	1.7
161.04541	2.0
163.04041	1.7
164.01199	1.3
165.01903	0.5
169.12292	0.6
174.03242	0.6
175.04005	1.0
179.05588	0.9
187.04114	0.5
189.05508	0.5
191.05685	0.7
194.05847	0.8
196.00128	1.5
199.03903	2.9
200.04643	0.4
201.01993	0.7
209.08102	1.0
213.05562	0.7
215.03438	0.7
240.04176	0.5
241.05052	0.9
241.51994	0.5
257.04504	1.6
285.04025	14.3
286.04688	2.7
287.05615	0.5
296.52960	0.5
435.23929	8.3
435.29550	1.0
436.24155	1.0
446.50024	0.5
465.11960	1.2
477.12119	0.9
495.12927	3.3
495.21396	3.0
496.13412	0.7
496.21609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80938	0.4
59.01376	5.0
61.98819	3.2
70.01978	0.6
70.02377	1.4
71.01376	4.0
71.77846	0.3
73.02924	0.6
80.28081	0.3
82.95403	0.7
83.01365	0.5
85.02965	1.9
87.00867	0.5
89.02434	1.8
93.03459	1.0
96.95999	2.0
98.19927	0.5
101.02438	2.6
109.02924	0.9
113.02438	1.2
117.03453	26.1
118.03767	0.7
119.05011	11.3
120.05360	0.5
120.99618	0.6
121.02930	0.9
123.04517	1.3
125.02433	2.5
133.02942	0.8
135.04462	0.6
137.02402	1.1
143.03496	0.5
145.02934	100.0
146.03258	3.8
147.04517	1.0
149.02377	0.4
149.06076	0.6
151.00406	0.5
152.01091	0.5
153.05521	0.6
159.03011	0.4
160.01660	0.7
161.02420	0.8
161.04575	0.6
161.06059	1.1
162.02827	0.4
163.03986	16.6
164.04326	0.5
167.03438	0.8
169.20358	0.3
174.46364	0.3
175.03934	0.6
177.04016	0.5
177.05484	0.6
187.13429	0.4
190.04851	0.4
191.03645	0.4
191.05550	0.8
193.04816	0.3
195.19072	0.4
205.05020	2.4
217.01604	0.5
235.06076	1.0
265.07117	1.9
267.29498	0.4
267.32663	0.3
267.35587	0.3
289.17032	0.4
303.18018	0.4
307.08209	0.5
325.09021	0.4
341.06796	0.6
353.23346	0.4
389.09100	0.4
435.22198	1.0
447.14355	0.5
451.19522	1.1
459.16434	0.8
495.22379	67.5
496.22592	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	495.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	0.5
59.01376	5.8
59.27130	0.3
61.98824	2.6
71.01372	4.1
71.63128	0.4
73.02921	0.8
75.00817	0.8
75.09804	0.3
75.42874	0.3
83.01382	0.4
85.02943	1.6
87.00858	0.6
89.02435	1.7
93.03473	0.7
95.01426	0.7
96.55340	0.4
96.96001	2.2
99.00883	0.7
101.02410	2.2
108.02161	1.3
109.02943	1.6
113.02441	1.6
117.03453	27.7
118.03738	0.6
119.03600	0.5
119.05012	13.3
120.05413	0.6
120.99634	1.8
121.02946	12.5
123.04495	1.6
125.02417	1.5
128.86745	0.4
129.01877	0.4
134.03712	0.4
135.04518	0.6
137.02434	1.5
145.02933	100.0
146.03246	3.2
147.04459	0.6
152.01160	0.9
153.01906	0.6
161.04591	0.7
161.06084	1.4
163.03992	16.3
164.04289	0.5
169.73489	0.5
177.04051	1.1
177.05505	0.4
183.10159	0.9
191.03500	1.0
191.07225	0.5
193.05005	0.4
205.04990	1.3
235.06177	0.9
241.07275	1.0
243.08817	0.6
265.07135	0.6
269.70129	0.4
277.99838	0.4
297.07590	1.0
307.08292	0.4
369.03394	0.4
377.14508	0.4
415.19705	0.4
435.26440	0.4
460.45508	0.4
477.21140	2.1
495.22354	66.0
496.22522	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	495.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69215	0.4
57.03461	0.6
59.01371	100.0
61.98823	4.3
63.02399	0.7
65.00323	4.3
65.08620	0.4
66.90033	0.5
70.04104	2.1
71.01379	4.8
72.99300	0.5
73.02951	0.6
78.71699	0.5
80.02688	0.5
83.01366	3.0
85.02945	0.7
88.60696	0.4
89.02435	4.4
95.01369	1.3
96.96056	0.9
101.02429	2.9
107.01373	6.8
108.02180	2.7
113.02408	2.2
119.03518	1.3
119.05039	0.6
121.03002	1.0
123.04480	0.5
125.02443	2.7
133.02899	0.9
134.03734	3.8
135.03471	0.8
135.04503	15.0
136.01653	3.0
137.02428	0.6
143.05019	0.8
145.02937	1.0
147.04492	0.8
149.02466	0.9
149.51561	0.5
151.00348	19.5
155.05051	1.9
159.04601	0.7
160.01611	0.9
161.02449	1.7
161.06116	0.7
164.01126	7.1
164.04782	0.7
165.01941	0.9
171.04512	1.4
174.03195	2.5
175.03963	2.6
176.04820	1.0
177.01936	1.2
179.03568	1.4
179.07141	0.8
185.06111	0.9
187.04016	0.9
189.05627	1.0
194.05893	1.6
195.04549	0.6
195.06436	0.5
196.00075	4.8
197.06097	0.6
198.03200	0.9
199.03967	9.9
199.05711	0.7
201.01935	2.9
207.06584	0.6
209.08180	2.4
211.03986	0.6
213.05629	1.7
215.03490	2.7
216.04163	0.7
217.05154	1.2
229.04964	0.6
239.03574	0.5
240.04129	0.4
241.05063	2.9
242.05826	0.7
243.03014	0.6
257.04471	4.7
258.05371	0.8
284.03030	1.1
285.04004	42.5
286.04654	8.6
287.05490	1.5
299.05573	0.8
301.07187	1.1
338.85342	0.5
435.23785	43.4
436.24136	3.0
436.52866	0.5
452.20450	0.6
465.11810	3.1
477.11896	2.5
495.12912	10.4
495.20032	0.7
496.13434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01373	4.2
59.93705	0.2
61.98826	1.6
65.00325	0.5
67.01881	0.3
69.03456	0.3
69.41601	1.8
71.01372	1.1
72.76096	0.2
73.02981	0.2
74.23337	0.2
81.03444	4.1
83.01366	2.6
83.40231	0.2
85.02956	0.6
89.02448	0.5
93.03471	0.7
95.01376	0.2
95.05029	1.0
96.95986	1.5
97.02948	0.8
99.04526	0.2
101.02446	0.3
107.01382	0.6
109.02943	0.7
113.02436	0.4
117.03464	0.5
119.05022	0.3
121.02942	0.5
123.04507	35.2
124.04888	0.6
125.02426	5.9
131.01306	0.3
134.03729	0.3
135.04494	0.9
137.02437	1.5
137.05995	0.2
139.04001	0.7
145.02954	1.0
147.04480	0.7
149.02380	1.3
149.06079	0.3
150.06831	0.4
151.00330	1.2
151.03958	1.0
152.03519	0.4
153.05547	0.3
160.01619	0.4
161.02429	0.5
163.03951	1.6
165.01869	0.5
165.05502	0.4
166.02678	0.6
167.03468	100.0
168.03813	2.5
175.00317	1.3
175.03960	0.4
179.03456	1.1
180.04228	0.3
181.05037	2.3
191.03470	26.5
192.03793	0.8
193.05074	0.4
205.04999	0.3
209.04523	8.7
221.04489	1.6
233.04611	0.5
238.68462	0.2
311.07474	0.3
457.32214	0.2
461.15533	0.2
495.18384	13.6
495.36652	0.3
496.18509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80938	0.4
59.01376	5.0
61.98819	3.2
70.01978	0.6
70.02377	1.4
71.01376	4.0
71.77846	0.3
73.02924	0.6
80.28081	0.3
82.95403	0.7
83.01365	0.5
85.02965	1.9
87.00867	0.5
89.02434	1.8
93.03459	1.0
96.95999	2.0
98.19927	0.5
101.02438	2.6
109.02924	0.9
113.02438	1.2
117.03453	26.1
118.03767	0.7
119.05011	11.3
120.05360	0.5
120.99618	0.6
121.02930	0.9
123.04517	1.3
125.02433	2.5
133.02942	0.8
135.04462	0.6
137.02402	1.1
143.03496	0.5
145.02934	100.0
146.03258	3.8
147.04517	1.0
149.02377	0.4
149.06076	0.6
151.00406	0.5
152.01091	0.5
153.05521	0.6
159.03011	0.4
160.01660	0.7
161.02420	0.8
161.04575	0.6
161.06059	1.1
162.02827	0.4
163.03986	16.6
164.04326	0.5
167.03438	0.8
169.20358	0.3
174.46364	0.3
175.03934	0.6
177.04016	0.5
177.05484	0.6
187.13429	0.4
190.04851	0.4
191.03645	0.4
191.05550	0.8
193.04816	0.3
195.19072	0.4
205.05020	2.4
217.01604	0.5
235.06076	1.0
265.07117	1.9
267.29498	0.4
267.32663	0.3
267.35587	0.3
289.17032	0.4
303.18018	0.4
307.08209	0.5
325.09021	0.4
341.06796	0.6
353.23346	0.4
389.09100	0.4
435.22198	1.0
447.14355	0.5
451.19522	1.1
459.16434	0.8
495.22379	67.5
496.22592	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	495.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70877	0.2
57.03444	0.6
59.01374	1.9
61.98827	2.2
63.67218	0.2
65.00334	0.7
67.01890	0.2
69.52293	1.2
71.01385	0.8
73.02948	0.2
81.03453	4.1
83.01375	2.3
85.02940	0.3
85.12470	0.1
89.02464	0.2
89.82595	0.2
93.03458	0.3
95.01373	0.3
95.05019	0.6
96.96014	0.9
97.02943	0.2
98.20560	0.3
99.04530	0.3
101.02457	0.3
107.01396	0.7
108.02168	0.2
109.02979	0.2
113.02467	0.3
117.03440	0.4
119.05049	0.2
120.99680	0.7
121.02936	0.4
123.04515	26.7
124.04831	0.5
125.02431	5.4
133.02957	0.4
135.04492	0.3
137.02437	0.5
139.04013	0.6
145.02960	1.1
147.04532	0.4
149.02440	0.6
151.00365	2.1
151.03967	0.2
160.01633	0.5
161.02470	1.1
161.04494	0.2
162.02814	0.5
163.02844	0.2
163.04031	0.8
165.05569	0.3
166.32970	0.2
167.03479	100.0
168.03831	2.8
175.04001	0.4
177.01999	0.2
179.03609	0.2
184.54391	0.2
191.03430	0.6
209.04501	1.1
281.06714	0.2
303.18320	0.2
313.77734	0.2
337.97992	0.2
357.01453	0.2
435.23212	0.3
435.29617	0.2
459.22125	0.5
465.11191	0.3
477.12012	0.2
495.19778	3.5
496.20364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.49784	0.6
59.01374	6.6
61.98824	25.6
63.92867	0.7
69.03436	1.2
70.97433	1.7
71.01383	6.8
73.02937	2.9
78.91869	4.5
81.03452	2.4
83.01362	1.2
83.79388	0.6
84.06515	0.6
85.02940	6.4
87.00857	1.6
89.02432	2.9
93.03445	2.3
95.01386	3.9
96.58887	0.7
96.96002	5.1
97.02959	1.0
101.02424	4.2
107.04894	1.0
108.02166	90.1
109.02950	56.3
109.04018	1.1
110.03312	0.8
113.02428	3.9
117.03456	8.5
119.05015	3.8
120.99628	2.7
121.02947	15.8
123.00867	3.0
123.04489	1.8
123.50141	0.6
125.02409	5.4
126.02654	0.8
129.39336	0.7
133.02943	2.0
134.03767	1.2
135.00841	0.8
135.04500	1.9
136.99193	0.9
137.00481	0.7
137.02428	1.9
140.78212	0.8
145.02939	32.1
146.03259	2.9
151.03944	2.2
152.01137	80.3
153.01926	27.0
153.09175	5.1
157.35320	0.8
159.02962	0.8
160.01619	1.5
161.02484	3.5
161.04543	1.6
161.05913	0.8
163.04019	6.5
167.07057	0.8
169.01385	1.4
175.03902	1.9
177.05530	0.8
179.03610	1.0
181.05069	2.2
187.07669	2.0
191.05621	1.8
193.05072	1.0
235.06131	1.0
253.07024	0.9
257.08276	1.2
301.03339	1.2
315.07220	3.0
326.36902	0.7
435.22037	1.3
451.16003	26.6
452.16333	1.7
459.16699	1.6
477.14362	1.2
477.21326	1.8
495.15009	100.0
495.21979	15.7
496.15271	7.8
496.21994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.49784	0.6
59.01374	6.6
61.98824	25.6
63.92867	0.7
69.03436	1.2
70.97433	1.7
71.01383	6.8
73.02937	2.9
78.91869	4.5
81.03452	2.4
83.01362	1.2
83.79388	0.6
84.06515	0.6
85.02940	6.4
87.00857	1.6
89.02432	2.9
93.03445	2.3
95.01386	3.9
96.58887	0.7
96.96002	5.1
97.02959	1.0
101.02424	4.2
107.04894	1.0
108.02166	90.1
109.02950	56.3
109.04018	1.1
110.03312	0.8
113.02428	3.9
117.03456	8.5
119.05015	3.8
120.99628	2.7
121.02947	15.8
123.00867	3.0
123.04489	1.8
123.50141	0.6
125.02409	5.4
126.02654	0.8
129.39336	0.7
133.02943	2.0
134.03767	1.2
135.00841	0.8
135.04500	1.9
136.99193	0.9
137.00481	0.7
137.02428	1.9
140.78212	0.8
145.02939	32.1
146.03259	2.9
151.03944	2.2
152.01137	80.3
153.01926	27.0
153.09175	5.1
157.35320	0.8
159.02962	0.8
160.01619	1.5
161.02484	3.5
161.04543	1.6
161.05913	0.8
163.04019	6.5
167.07057	0.8
169.01385	1.4
175.03902	1.9
177.05530	0.8
179.03610	1.0
181.05069	2.2
187.07669	2.0
191.05621	1.8
193.05072	1.0
235.06131	1.0
253.07024	0.9
257.08276	1.2
301.03339	1.2
315.07220	3.0
326.36902	0.7
435.22037	1.3
451.16003	26.6
452.16333	1.7
459.16699	1.6
477.14362	1.2
477.21326	1.8
495.15009	100.0
495.21979	15.7
496.15271	7.8
496.21994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82416	0.7
59.01371	12.8
61.98824	14.1
70.38809	0.9
71.01374	12.1
72.99307	0.8
73.02961	1.1
83.01368	1.3
85.02950	1.9
89.02425	6.6
89.03969	1.3
93.03468	1.4
95.01401	0.7
95.05028	1.0
96.96001	1.0
97.02985	0.8
98.19891	1.5
101.02435	5.4
108.10565	0.7
108.95068	0.7
109.02947	1.7
109.12550	0.6
113.02435	4.8
117.03439	3.5
119.03497	1.8
119.04972	0.8
120.99672	1.9
121.02962	1.2
123.04494	0.8
125.02444	1.9
132.02147	0.9
133.02962	7.2
134.03729	61.7
135.04544	7.3
136.01614	1.9
137.02415	2.3
139.03986	1.3
145.02951	3.1
147.04507	9.6
148.05298	7.6
149.06062	11.5
151.04004	2.4
153.05547	1.0
156.30132	0.7
157.05130	1.3
158.03700	4.0
160.01663	14.9
160.05220	0.8
161.02415	2.8
161.04510	0.9
162.03139	1.4
162.06888	1.1
163.04027	2.3
163.07639	1.7
164.04752	1.4
173.06059	6.1
174.03215	1.0
175.03992	22.0
176.04773	33.4
177.01923	6.3
177.05389	1.9
178.02722	7.2
178.12897	0.7
182.40776	0.7
183.41331	0.7
191.07138	47.0
192.04285	4.3
192.07480	1.4
193.05046	70.0
194.05397	2.8
207.04649	0.9
207.06609	17.5
208.06931	0.8
209.11842	4.3
217.05077	1.9
220.03722	6.4
235.06090	100.0
236.06442	3.6
253.09306	1.3
265.07135	17.3
269.04086	0.9
271.10751	0.9
295.08179	18.7
296.08728	0.8
319.10300	30.4
320.10675	1.8
355.10315	1.1
432.09741	1.6
451.16028	1.1
495.14996	91.8
496.15433	8.3
523.85443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29414	0.6
55.96702	0.7
57.03440	0.9
59.01374	44.3
61.98819	1.9
63.02402	1.7
65.00317	10.7
71.01379	2.7
71.63032	0.9
80.02665	1.9
80.93221	0.6
83.01373	5.2
83.62951	0.7
85.02948	0.8
89.02428	1.5
94.75456	0.6
95.01379	1.7
101.02414	1.4
107.01373	15.4
107.05055	0.7
108.02176	9.3
113.02419	1.3
117.67168	0.7
119.05067	0.7
120.16215	0.6
121.02955	1.2
123.00825	1.1
123.04440	1.0
124.01639	1.3
125.02448	5.2
133.02937	2.7
134.03745	9.5
135.04512	37.4
136.01648	7.0
136.04770	0.8
137.02359	1.2
143.05080	1.2
145.02905	1.4
147.04523	3.1
149.02417	1.0
151.00352	44.0
152.00922	1.5
155.05049	3.7
158.03763	1.5
159.04594	0.9
160.01656	2.5
161.02438	4.0
164.01129	15.9
164.04732	1.4
165.01907	2.8
167.04991	0.7
169.01411	0.7
171.04501	2.8
173.02449	1.4
173.06085	0.9
174.03200	7.0
175.03969	6.4
176.00998	0.8
176.04747	1.9
177.01924	3.1
179.03520	3.3
179.07126	2.2
185.06062	2.7
187.03981	3.1
189.05559	2.3
191.07144	1.8
192.04257	0.9
194.05835	4.1
196.00121	11.2
197.06053	1.4
198.03242	3.1
199.03990	27.6
200.04459	2.2
201.01921	8.6
209.08150	5.1
209.11909	0.8
211.03976	1.1
213.05588	4.0
215.03476	5.4
216.04158	0.9
217.05057	2.7
223.04030	0.7
229.05019	1.5
239.03523	2.3
240.04218	1.4
241.05029	8.1
241.15532	0.7
242.05717	2.8
243.02985	0.9
244.70665	0.7
256.03470	0.8
257.04526	11.2
258.05154	3.0
285.04016	100.0
286.04727	18.6
287.05380	4.1
295.06143	0.8
299.05664	1.6
301.07135	2.3
369.09988	1.5
435.23764	19.1
435.29688	1.0
465.11905	8.7
466.11716	0.8
477.11850	5.8
495.12915	32.5
496.13220	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39937	0.3
57.03427	0.5
58.39236	0.3
59.01376	4.5
61.98824	100.0
63.95930	0.3
71.01376	2.5
71.63297	0.5
73.02944	0.9
75.00889	0.7
79.95720	0.4
85.02941	0.9
87.04504	0.6
89.02430	1.0
89.31657	0.3
93.03445	0.9
95.01418	0.4
96.58138	0.3
96.95998	7.1
101.02441	1.8
101.06087	1.2
105.03475	0.4
108.02158	2.3
109.02937	1.6
113.02451	1.0
117.03440	3.1
118.03730	0.3
119.05012	1.0
120.99639	0.4
121.02955	1.4
123.00805	0.5
123.04529	1.0
125.02420	0.9
132.02165	0.6
133.02939	13.2
134.03262	0.6
135.04514	5.9
137.02425	1.8
139.02919	0.4
139.04007	0.6
145.02933	7.8
146.03294	1.4
147.04515	0.9
150.46298	0.3
152.01166	1.6
153.01926	0.6
157.05089	0.3
161.02425	50.4
162.02750	3.5
163.03999	1.6
165.05516	0.5
167.03500	0.7
172.75166	0.4
177.01872	0.5
179.03477	3.6
180.99419	0.3
203.10660	0.4
210.90031	0.3
265.07230	0.5
289.05399	0.7
295.43256	0.3
375.27359	0.5
431.13388	42.1
432.13782	3.6
435.22263	0.4
493.20328	0.8
493.30023	2.0
494.11417	1.5
494.21344	6.8
494.30356	2.0
495.18472	2.1
495.22180	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1293
Annotation	Cadensin F
Peak:m/z	Relative Intensity
54.10236	0.5
57.03435	0.5
59.01374	47.0
61.98817	3.8
63.02400	2.0
65.00313	8.0
71.01376	4.1
71.22786	0.9
75.27821	0.6
80.02647	1.1
83.01375	4.3
85.02943	1.0
89.02436	4.5
95.01390	1.1
101.02448	2.7
101.12653	0.5
105.50989	0.4
107.01380	13.1
107.02116	0.7
108.02168	7.4
112.94238	0.5
113.02440	1.9
114.07087	0.4
119.03500	1.4
119.05007	0.9
121.02954	1.3
122.99226	1.0
123.00057	0.5
123.00893	0.8
124.01636	1.0
125.02431	5.4
131.04971	0.8
132.02130	0.7
133.02979	2.4
134.03726	7.8
135.04512	31.3
136.01654	6.3
137.02443	0.8
143.03555	0.5
143.04993	1.3
145.02950	1.3
147.04501	2.9
149.02397	1.2
151.00354	37.7
152.00880	0.7
155.05032	3.4
156.05386	0.4
157.02989	0.7
158.03755	1.0
159.04439	0.9
160.01653	1.6
161.02417	3.9
161.04521	1.5
161.05948	1.0
163.00455	0.4
164.01132	13.9
164.04770	1.9
165.01875	2.4
171.04485	2.5
173.02448	1.1
173.05991	1.0
174.03212	6.7
175.03992	5.8
176.04718	2.3
177.01929	2.7
179.03548	2.8
179.05684	0.9
179.07059	2.2
185.02380	0.7
185.06059	1.8
187.03996	2.9
188.04660	1.0
189.05553	2.6
191.07152	1.4
193.08646	0.9
194.05827	3.7
195.04480	0.8
195.06497	0.7
196.00113	9.4
196.05276	0.5
197.06046	1.8
198.03215	1.9
199.03984	22.2
200.04491	1.3
201.01886	5.5
201.05537	0.7
202.02524	0.8
209.08072	4.5
211.03989	0.9
212.04721	0.5
213.05550	4.3
215.03450	5.3
216.04094	0.9
217.04997	2.9
224.04530	0.7
229.05135	1.3
239.03438	1.4
240.04175	1.0
241.05003	7.5
242.05840	2.7
243.02954	1.5
257.04526	11.2
258.05176	1.8
268.03860	0.7
284.03195	0.7
285.04016	100.0
286.04700	17.8
287.05576	3.2
299.05487	0.8
301.07159	3.0
369.09732	1.1
435.23618	2.1
465.11804	8.7
466.12225	0.6
477.11826	7.0
495.12872	26.3
496.13150	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	494.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.6
60.22949	0.8
61.98822	41.3
71.01355	6.0
71.63127	1.3
72.57679	0.9
73.02944	1.1
74.99090	1.0
75.00835	1.1
79.57635	1.0
85.02938	2.3
89.02427	2.5
93.03417	0.9
95.73110	0.9
96.96003	24.3
98.95583	1.2
101.02393	2.6
108.02161	1.0
109.02921	1.8
113.02474	1.8
117.03452	26.5
118.03783	4.0
119.05006	10.7
120.05328	2.1
120.99583	1.5
121.02930	2.7
123.04482	1.6
125.02454	4.5
132.02162	1.8
133.02939	25.7
133.03966	1.4
134.03745	1.2
135.04530	10.2
137.02397	1.5
145.02933	100.0
146.03262	16.9
154.27553	1.0
159.97504	0.9
161.02425	87.6
162.02798	2.8
163.03992	14.9
164.04309	3.4
165.05510	1.3
167.03552	1.0
179.03439	6.5
190.02187	1.0
205.04982	1.6
269.04138	1.3
298.77930	1.0
353.23669	1.0
431.13373	76.1
432.13623	7.2
493.20770	4.4
494.15039	0.6
494.21024	32.6
495.22318	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96093	1.2
55.01872	2.3
57.03416	2.7
58.00592	2.3
59.01376	100.0
61.98835	3.1
69.82696	6.9
71.01376	51.9
72.99291	3.2
73.02941	7.5
75.00854	3.1
83.01374	4.6
83.04964	1.4
85.02956	15.2
87.00864	7.8
87.04499	3.4
89.02440	49.9
93.03432	1.5
95.01395	3.1
96.95985	3.1
98.04046	1.2
98.19893	3.0
99.00889	2.5
101.02437	33.9
105.01918	3.3
111.04478	2.0
113.02430	24.5
119.03501	17.6
120.99652	1.7
125.02418	5.9
131.03453	3.0
133.02917	2.2
135.04416	2.7
139.04012	3.1
143.03493	6.4
145.02930	2.1
149.04570	2.5
150.03209	1.5
151.00389	3.0
159.02994	1.9
161.02402	5.8
161.04543	15.9
163.03874	1.7
165.01926	4.4
165.05559	2.6
168.00592	2.9
169.05008	5.8
171.32751	1.4
179.03450	1.5
179.03941	1.5
179.05612	18.3
179.07021	2.8
180.04219	1.9
195.06635	3.1
221.06563	1.7
225.07475	1.4
229.05020	2.4
271.19104	4.8
273.03931	3.5
291.84915	1.4
323.07776	1.6
331.06567	8.0
331.10098	2.6
332.07642	2.8
357.13492	3.5
411.55649	1.4
433.24374	82.0
434.24500	6.6
493.10300	1.9
493.17847	4.0
493.23926	2.9
493.30789	2.5
494.12766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87065	4.9
64.14661	4.4
69.39077	45.8
77.05208	4.6
77.95406	4.8
81.35849	5.3
85.19671	4.6
114.24207	5.1
128.65509	5.1
132.44817	5.0
244.39862	4.7
295.48871	5.7
316.84854	5.4
393.63181	5.8
493.34293	100.0
494.34647	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	494.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01378	2.9
61.98824	100.0
71.01375	2.1
71.63113	0.3
73.02940	0.9
83.01384	0.4
85.02946	1.1
89.02436	1.3
95.01362	0.3
96.95995	1.3
101.02438	1.1
108.02166	3.0
109.02936	2.2
113.02444	0.4
116.79216	0.3
117.03458	5.6
118.03762	1.8
119.03561	0.3
119.05006	1.8
120.05330	0.4
120.93002	0.3
120.99648	1.9
121.02937	1.7
123.04475	0.5
125.02425	2.0
133.02980	0.3
135.04547	0.4
137.02437	0.3
145.02942	19.9
146.03275	7.8
151.04010	0.4
152.01167	2.4
153.01906	0.9
161.02422	1.4
161.04680	0.4
161.06030	0.4
163.04022	2.6
164.04343	1.2
167.03404	0.4
169.01450	0.5
170.01581	0.3
180.90909	0.3
181.05013	0.4
187.04117	0.3
187.07629	0.5
189.74815	0.3
197.11917	0.6
198.12099	0.5
205.04945	0.5
257.08130	0.8
265.07031	0.5
301.03510	0.5
307.08127	0.6
404.34372	0.3
431.13397	0.4
434.24915	0.4
451.15939	1.2
457.58441	0.4
493.20477	1.7
494.21072	15.7
495.14240	2.5
495.22592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2433
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
57.03444	0.5
58.00584	0.6
59.01087	0.5
59.01373	10.2
61.98800	1.0
64.08604	0.4
69.26704	3.0
69.27130	0.6
71.01379	6.8
72.99278	0.6
73.02932	0.4
75.54690	0.3
79.05567	0.3
80.02657	1.4
81.03448	1.0
81.40667	0.4
83.01361	0.7
83.05021	4.7
85.02943	1.6
87.00865	0.6
89.02440	8.4
93.03432	0.5
95.01369	0.5
95.05007	1.2
96.96018	0.6
97.06560	1.1
101.02415	3.6
104.30744	0.3
107.01307	0.3
109.06581	0.8
113.02433	3.1
117.03450	0.8
119.03479	3.7
119.04954	0.4
121.02946	0.4
121.06535	0.5
123.08158	1.2
125.02454	0.5
125.06129	0.4
125.09697	3.5
129.25108	0.3
131.03491	0.5
133.02930	0.5
135.08136	1.2
137.02406	0.3
139.60544	0.4
140.76947	0.3
143.03522	0.7
145.02939	1.7
146.31018	0.3
149.04402	0.4
149.09700	1.7
154.95808	0.3
161.04578	0.9
161.09805	0.5
163.11264	3.2
165.12840	2.2
171.10249	35.1
172.10551	0.9
179.05559	3.0
181.12341	0.7
185.11809	1.6
185.34778	0.4
191.10780	1.1
194.45107	0.4
197.11646	0.4
199.17012	0.5
201.12764	0.8
203.10608	0.4
203.14426	1.7
209.11800	100.0
210.12126	4.2
211.13351	0.6
219.13869	1.0
221.11809	1.0
221.15448	0.6
227.12852	3.4
229.12299	1.4
231.13962	1.1
235.13387	0.4
237.14905	0.6
247.13361	13.4
248.13710	0.3
249.14923	1.2
259.54269	0.4
265.14395	4.6
269.19131	1.9
283.02258	0.6
287.20065	1.9
303.15955	0.5
313.14651	0.7
313.18063	5.7
321.16965	1.3
328.29291	0.4
331.19095	39.8
332.19406	2.9
345.20581	0.7
357.24585	0.4
373.20020	1.9
375.21414	1.8
375.25500	1.5
383.22205	1.7
391.24820	0.9
396.14063	1.0
401.23221	3.5
419.24396	2.9
449.25555	1.1
457.19299	0.6
457.26053	1.3
475.26947	9.8
476.27515	0.7
493.24576	19.7
494.23779	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	493.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39059	0.3
59.01379	2.7
60.99302	14.1
61.98815	0.9
62.62159	0.3
67.30661	0.3
71.01379	1.7
85.02948	0.4
87.00860	1.1
88.00390	1.3
88.98798	100.0
89.02433	10.7
89.99120	0.8
96.96004	5.2
96.96942	0.4
101.02433	1.0
101.66766	0.4
117.00693	0.3
119.03500	0.8
125.02415	1.2
125.83246	0.4
130.37489	0.4
135.02893	0.4
145.02940	0.7
149.99660	0.3
161.02475	0.6
161.04573	0.5
163.04019	0.7
168.00626	1.0
234.62991	0.3
259.02533	0.4
267.88449	0.3
331.06653	2.1
379.21158	0.3
383.15100	0.4
458.81708	0.3
493.94168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39059	0.3
59.01379	2.7
60.99302	14.1
61.98815	0.9
62.62159	0.3
67.30661	0.3
71.01379	1.7
85.02948	0.4
87.00860	1.1
88.00390	1.3
88.98798	100.0
89.02433	10.7
89.99120	0.8
96.96004	5.2
96.96942	0.4
101.02433	1.0
101.66766	0.4
117.00693	0.3
119.03500	0.8
125.02415	1.2
125.83246	0.4
130.37489	0.4
135.02893	0.4
145.02940	0.7
149.99660	0.3
161.02475	0.6
161.04573	0.5
163.04019	0.7
168.00626	1.0
234.62991	0.3
259.02533	0.4
267.88449	0.3
331.06653	2.1
379.21158	0.3
383.15100	0.4
458.81708	0.3
493.94168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01381	5.1
60.97502	0.3
61.98820	0.6
69.60722	0.3
71.01375	4.4
73.02966	0.5
75.00867	3.1
83.01402	0.6
85.02943	1.3
89.02446	2.4
93.03458	0.3
94.58482	0.3
96.96040	0.4
99.00880	0.5
101.02448	2.0
101.06072	0.3
102.98588	1.4
113.02437	1.3
115.25488	0.4
117.03458	26.3
118.03790	0.6
119.03618	0.4
119.05016	10.0
120.05359	0.3
120.99622	0.4
121.02971	0.9
123.04462	0.3
125.02471	0.4
125.09711	1.1
131.03481	0.5
132.02174	0.5
133.02948	6.7
133.06587	0.6
135.04503	2.2
145.02940	100.0
146.03279	2.5
147.04491	0.6
149.04541	0.8
149.09705	2.8
161.02429	17.6
161.06078	1.3
162.02695	0.6
163.03992	14.7
165.05589	0.7
167.10799	0.5
177.05501	0.5
179.03485	0.8
179.05434	0.4
185.11821	0.9
198.22339	0.3
205.05025	1.2
213.05617	0.3
235.06099	0.7
265.07178	1.1
307.08295	1.0
366.20551	0.3
475.19379	0.5
493.20737	72.3
494.09601	0.3
494.21039	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	493.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11111	0.3
51.72572	0.3
55.01879	0.5
57.03441	0.6
59.01373	8.6
61.98822	2.6
68.99809	0.4
69.03474	0.3
71.01374	6.9
71.04984	0.3
71.63763	0.5
72.99297	0.7
73.02934	2.2
75.00812	0.3
82.23457	0.3
83.01388	1.2
83.05033	0.6
84.63025	0.3
85.02942	2.9
87.00846	0.4
89.02439	3.2
93.03452	11.2
95.01384	0.7
96.96011	2.9
99.00891	0.6
101.02434	4.6
107.05038	0.5
109.02906	0.4
111.00857	0.4
113.02444	2.9
117.03457	26.1
118.03819	0.6
119.03528	1.0
119.05013	10.4
120.05357	0.6
120.99636	1.9
121.02948	1.5
123.04531	0.8
125.02433	1.7
132.02148	0.4
133.02945	4.5
134.03699	0.7
135.04526	6.1
135.05489	0.6
136.01642	3.6
137.02432	24.4
138.02797	0.7
145.02939	100.0
146.03285	3.7
147.04507	0.6
149.02415	0.5
149.06059	1.2
151.04012	1.5
153.00113	0.6
153.05583	0.5
160.01636	0.6
161.02435	13.7
161.04510	0.7
161.06038	0.6
163.03995	14.8
163.05377	0.7
164.04311	0.6
177.04117	0.4
177.05548	1.7
179.03474	18.8
180.03824	0.8
185.11885	0.6
193.05051	0.3
203.03403	0.4
205.05113	0.7
209.04515	2.3
221.04533	2.8
235.06226	0.7
236.30553	0.3
239.05559	8.1
247.33096	0.3
251.05594	3.1
265.07141	1.0
266.07309	0.5
267.89053	0.3
281.06613	5.4
287.22122	0.3
306.86844	0.3
307.08191	1.0
308.08539	0.7
309.08771	1.1
325.11035	0.9
341.08682	1.8
347.16986	0.5
373.18433	1.7
423.16595	2.4
475.19498	2.1
493.20706	85.1
494.21057	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	493.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03445	0.7
58.00582	0.4
59.01373	11.7
61.98824	3.6
69.03449	0.7
71.01370	5.6
72.99306	0.7
73.02935	1.9
75.00858	2.6
81.03458	0.4
83.01370	1.2
85.02937	1.6
87.00877	0.6
89.02437	2.8
93.03444	1.2
95.01398	0.4
96.96004	1.2
97.02953	1.1
99.00885	0.6
101.02440	3.2
101.06065	0.6
105.03462	0.7
107.01360	0.5
108.02146	0.6
109.02939	0.8
113.02445	2.1
115.01953	0.3
117.02618	0.5
117.03452	8.9
118.03807	0.3
119.03473	0.4
119.04991	3.0
120.99639	0.9
121.02937	1.0
121.06599	1.0
123.00863	0.4
123.04499	0.7
125.02431	22.0
126.02768	0.8
131.03479	0.4
132.02167	1.6
133.02945	33.2
134.03644	0.4
135.04514	8.8
137.02461	2.0
139.03990	0.6
145.02936	19.8
146.03261	0.8
147.04518	1.1
149.04642	0.5
149.06015	0.5
151.03889	0.4
152.83350	0.4
153.09167	0.5
161.02425	100.0
162.02779	3.5
163.03966	2.9
165.05547	11.8
167.03592	0.4
177.05582	0.3
179.03502	3.3
179.10756	0.9
183.10231	0.9
205.05048	0.7
213.15044	0.5
213.59277	0.3
218.79948	0.4
231.06558	1.5
255.06667	0.6
375.27490	3.5
383.29956	0.4
393.11713	1.8
431.13538	0.4
433.24539	0.7
435.16425	0.5
447.22345	3.4
449.18231	1.0
493.20746	83.7
493.29703	3.5
494.21054	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	493.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
61.98817	1.6
69.71847	3.1
71.01374	1.4
71.36632	0.6
72.99310	1.0
75.55888	0.6
85.02929	0.6
87.00864	1.4
88.98797	1.7
89.02433	2.1
92.76233	0.6
96.96004	9.6
98.20568	0.7
101.02423	1.0
108.02155	0.9
109.02943	100.0
110.03299	1.9
120.99602	0.8
121.02907	0.7
123.04485	1.1
165.05550	1.4
191.07208	0.6
205.04930	1.3
209.08150	2.1
271.08188	37.4
272.08466	1.6
295.99731	0.6
343.42416	0.6
493.13702	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1136
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
59.01374	4.4
59.89580	0.5
60.26113	0.5
61.98801	2.4
63.02402	0.8
63.70192	0.5
65.00311	1.1
69.30157	5.7
83.01389	1.3
85.02927	0.9
86.28029	0.5
89.59519	0.5
98.19893	1.3
101.02435	1.3
107.01377	3.7
109.02954	0.6
113.02430	0.9
123.04559	0.8
125.02423	1.7
132.02190	1.3
133.02002	1.1
133.02940	11.3
137.02505	0.6
143.04942	0.7
145.02980	1.3
148.77092	0.5
149.02415	2.2
151.00360	8.6
158.03604	0.6
175.03963	3.1
183.04456	1.3
187.03931	1.0
199.04042	3.7
201.01897	1.4
209.11882	0.8
211.03885	0.9
215.03352	0.9
217.04980	1.5
227.03577	2.6
241.04900	1.4
242.02162	0.7
243.02834	1.2
255.02942	64.6
256.03705	39.3
257.04160	2.3
283.02444	86.2
284.03204	100.0
285.03986	95.9
286.04282	4.1
289.06921	0.7
326.04211	1.0
395.11166	0.8
433.27853	2.9
435.10986	0.6
475.10303	2.4
493.11487	15.0
493.18652	1.5
494.11520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79119	0.5
59.01372	4.4
61.98824	2.1
63.02370	1.0
65.00287	1.6
70.85062	0.9
73.02898	0.7
83.01344	1.0
85.02917	0.7
89.60648	0.4
101.02392	1.2
107.01373	3.2
109.02937	0.5
113.02409	0.7
119.87175	0.4
121.02933	0.4
125.02395	1.4
129.51399	0.4
132.02124	1.0
133.02943	10.9
135.04533	0.5
137.02408	0.6
143.38251	0.4
145.02954	0.9
147.04500	0.5
149.02455	2.9
151.00368	8.8
159.04471	0.7
161.02411	0.5
161.04454	1.0
175.03973	3.4
183.04449	1.4
185.02412	0.5
187.03900	0.6
187.80367	0.4
188.04764	0.7
197.06056	0.6
198.03117	0.7
199.03957	4.1
201.01851	1.0
211.03967	0.5
213.05417	0.5
215.03432	0.8
217.04956	1.6
227.03468	3.4
239.03348	0.5
241.04904	0.8
243.02873	1.3
245.08090	0.4
255.02950	64.9
256.03702	38.9
257.04138	2.4
269.04639	0.7
283.02438	85.6
284.03201	100.0
285.03986	90.0
286.04333	4.4
289.07196	0.6
298.04779	0.7
299.05356	0.4
326.04404	0.9
327.05215	0.7
395.11365	1.4
421.09048	0.5
433.27921	3.2
435.10803	0.5
463.10599	0.9
475.10043	2.4
476.10483	0.4
493.11475	14.6
493.18607	1.7
494.11707	1.4
494.18283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2659
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.97829	0.4
59.01373	1.3
61.98835	0.9
62.90650	0.6
65.08784	0.5
65.22112	0.5
66.03478	0.9
66.86188	0.5
70.08126	1.3
70.08538	1.2
71.02496	3.2
81.49054	0.6
81.49493	0.5
81.64722	0.5
82.01715	0.9
97.00462	0.6
99.02035	0.8
99.61850	0.6
110.03604	1.3
113.07188	0.6
115.08765	10.2
116.05058	2.2
118.06644	3.9
125.07227	3.0
126.05603	1.6
132.61827	0.6
141.06696	3.5
146.06107	8.6
152.08250	1.3
153.06715	1.0
153.09090	0.5
163.08810	1.0
168.07732	1.1
169.13365	0.8
170.09351	2.6
173.07156	1.2
174.05563	0.6
179.11879	3.3
194.12956	1.0
196.14513	1.0
197.12885	0.9
200.10847	1.1
202.12283	0.6
214.08319	0.6
214.15559	3.5
217.13422	1.5
227.11868	2.5
228.10324	2.0
240.07802	0.9
240.13512	0.8
245.12941	3.7
248.10834	0.8
262.15552	2.4
269.16049	1.0
298.91129	0.6
299.17712	0.8
326.18677	5.7
344.19791	2.6
491.26611	100.0
492.26990	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	493.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.8
59.01370	23.0
61.98815	3.0
71.01376	15.7
72.67489	0.6
73.02941	6.2
75.00861	2.4
77.97964	0.7
81.03452	2.8
83.01390	6.4
85.02940	3.3
85.59022	0.8
87.00861	0.9
89.02427	19.3
93.03449	10.0
95.01367	1.5
95.42974	0.7
96.96014	1.3
97.02915	1.6
99.00851	4.7
101.02431	9.3
101.06126	0.8
106.40343	0.7
107.11395	0.7
109.02917	1.8
113.02456	4.7
115.03943	0.8
117.03457	17.2
119.03481	3.4
119.05012	3.6
120.99633	1.5
121.02956	1.9
123.04491	2.2
125.02428	100.0
126.02728	1.3
131.03459	2.2
133.02954	3.0
135.04533	1.5
137.02420	44.9
138.02795	1.4
139.04024	4.7
143.29799	0.6
145.02940	28.3
145.04095	1.6
145.06592	1.6
147.04482	3.2
149.02432	16.5
149.04501	10.5
151.03986	1.9
155.47676	0.7
161.02426	33.6
161.04556	2.8
161.06042	0.8
162.02812	1.3
163.04013	2.8
163.06134	0.9
163.07623	2.1
165.05554	2.3
167.03459	4.8
179.03476	4.8
179.05620	1.7
185.23279	0.7
187.06084	1.3
187.07620	13.4
188.07962	0.8
191.03490	1.9
191.05591	3.2
213.05486	1.2
213.14946	1.4
231.06589	49.6
232.06982	1.1
255.06570	23.7
256.06958	1.4
271.19162	1.2
273.07602	1.5
281.06516	0.8
285.07681	2.8
301.16522	1.4
333.09830	1.4
375.10806	0.9
375.27429	7.6
393.11853	71.2
394.12216	4.7
420.10489	0.8
423.16644	2.3
433.20032	9.7
434.20880	1.0
435.16412	1.2
493.13589	1.8
493.20755	26.3
493.30014	3.9
494.21094	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24753	1.2
52.82701	1.3
54.74276	1.4
57.03433	3.6
59.01376	99.1
61.98824	19.4
69.03445	1.9
69.71230	8.2
71.01376	24.4
71.04992	1.6
72.99314	3.2
73.02938	12.2
74.99105	2.0
75.00861	28.3
83.01369	3.4
85.02943	10.8
87.00860	3.1
87.04507	42.1
89.02430	10.6
93.03449	6.6
95.01380	2.6
96.95994	7.0
99.00838	2.4
99.04502	2.1
101.02441	15.0
101.06092	2.4
109.02932	2.8
113.02434	13.0
113.99545	3.5
115.00302	1.9
117.03466	15.5
118.98069	4.2
119.03466	3.5
119.05006	11.4
120.99626	3.9
121.02956	2.2
123.04491	4.1
125.02422	5.6
125.06097	1.3
131.03487	1.6
133.02924	2.1
135.04485	4.1
137.02414	9.5
145.02942	69.8
146.03247	3.4
151.03922	1.6
160.01656	1.7
161.02435	3.6
161.04550	11.2
161.05928	2.5
163.04007	15.5
167.03427	1.7
175.03975	3.4
179.05530	2.8
183.10251	3.2
191.05573	3.4
193.04947	1.9
203.03459	2.0
207.13914	1.5
207.17532	3.8
209.15202	1.3
211.13445	1.6
215.96263	1.3
220.52727	1.6
230.25754	1.4
251.16553	1.9
265.07269	2.1
269.17551	100.0
270.17819	4.5
284.03098	4.0
285.03827	7.4
286.03915	6.4
287.04517	5.9
287.22339	1.7
293.17502	3.5
300.02615	2.2
307.08179	2.6
315.04996	3.5
325.09225	4.2
329.06494	2.3
373.25790	2.7
413.21506	1.5
431.22263	10.8
433.14886	14.3
491.10071	6.5
491.19064	24.5
491.25189	2.3
491.29285	1.9
492.31668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56833	0.4
57.03430	0.6
59.01377	6.8
61.98821	3.2
67.56549	0.3
69.03456	1.8
69.51759	2.6
71.01373	4.9
73.02931	1.1
75.00877	0.4
83.01407	1.1
83.01948	0.3
85.02949	2.0
87.00876	0.5
89.02435	1.6
93.03459	1.4
94.97590	0.4
95.05021	0.5
96.95989	2.7
97.02908	0.5
98.20574	0.6
99.00892	0.6
101.02427	3.3
109.02901	0.4
113.02453	2.2
113.49645	0.4
117.03456	18.9
117.05555	1.1
118.98073	1.3
119.05019	27.0
120.05373	0.7
121.02945	1.7
123.04498	1.0
125.02465	2.3
131.05061	0.5
132.05823	0.5
133.06561	2.8
137.02425	2.4
138.92453	0.4
139.11278	2.6
145.02939	100.0
145.61176	0.5
146.03265	2.4
147.04529	1.1
159.04527	0.6
161.04695	0.6
161.06047	7.5
163.03992	29.5
164.04381	0.7
171.10152	0.5
177.05513	1.5
177.48552	0.4
183.10242	5.1
187.04077	2.3
189.01834	0.6
189.05515	0.5
205.05035	10.4
217.01465	0.5
217.04985	0.5
223.06024	1.2
227.07060	0.4
229.04948	0.5
235.06100	8.8
247.06155	1.0
259.06039	0.4
265.07138	20.8
266.07489	0.6
285.03949	0.4
286.03802	0.5
307.08188	61.9
308.08490	3.1
315.05042	0.6
325.09323	3.0
329.10239	0.8
329.13950	0.6
329.23343	1.0
341.06638	1.3
431.17123	1.2
491.09943	1.5
491.18771	3.3
491.29108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
56.71206	0.4
57.03448	1.1
57.29060	0.3
58.00610	2.0
59.01373	78.6
60.01735	0.6
60.72190	0.4
61.98824	18.4
63.02399	1.4
64.02714	0.5
65.00327	0.9
70.14326	1.6
71.01373	30.2
72.01710	0.4
72.99300	2.5
73.02952	1.2
75.60734	0.3
83.01357	2.0
85.02940	6.5
87.00866	1.8
89.02435	35.6
95.01392	2.4
96.95982	0.6
98.20531	0.4
99.00876	0.7
99.04501	6.0
101.02424	16.9
103.12399	0.4
107.01377	2.3
108.01698	0.9
109.02954	1.0
113.02432	12.1
117.03461	0.8
119.03487	15.7
119.04871	0.7
120.99648	1.8
121.02940	1.4
125.02491	0.9
131.03490	1.4
133.02943	3.6
134.03276	0.7
135.03304	0.5
137.02470	0.5
143.03473	4.1
145.02953	2.2
148.01633	0.5
149.02383	0.8
149.04500	1.1
149.99608	0.4
151.00366	3.1
152.00671	1.6
153.00795	1.2
153.01933	0.6
161.02486	0.5
161.04539	4.1
166.05052	0.4
175.03987	1.2
176.04410	0.6
179.05579	15.8
179.07153	0.8
180.05864	0.7
183.04422	0.4
187.03958	0.6
189.12862	1.1
199.03984	1.1
200.04356	1.0
201.04668	0.8
207.13864	67.4
208.14221	3.1
209.11841	0.5
211.03958	0.6
212.04417	0.5
213.04977	0.4
215.03584	0.4
218.05357	0.5
225.14964	0.5
227.03432	1.1
228.03836	0.5
229.04091	0.9
241.04486	0.5
243.05705	0.4
251.12843	27.5
252.13155	1.4
255.02974	0.5
256.03613	2.6
257.03964	1.9
258.04184	2.6
269.13895	1.5
283.02451	0.5
284.03220	24.1
285.03809	47.2
286.04022	56.9
287.04526	44.5
288.04709	1.4
311.14969	13.8
312.15271	0.8
315.05157	0.6
329.05573	0.9
329.15790	0.5
361.18509	0.6
369.99905	0.4
373.18466	1.7
387.20200	21.4
388.20471	1.4
431.19119	19.3
432.19540	1.7
449.09882	0.6
474.13675	0.5
491.10822	100.0
491.21225	28.1
492.10983	5.5
492.21320	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	491.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.4
59.01374	23.8
61.98817	1.4
69.03450	1.2
71.01379	13.3
71.62007	0.8
72.99313	1.0
73.02939	5.7
76.52578	0.5
81.03470	0.8
83.01368	1.8
85.02945	3.5
87.00876	1.8
88.98830	1.1
89.02435	7.9
89.13999	0.5
93.03449	15.1
96.96012	2.1
97.02934	1.9
99.00910	0.8
100.02290	0.6
101.02434	11.6
103.03999	8.5
113.02452	2.4
113.58809	0.6
119.03481	4.1
120.01236	1.1
121.02943	53.8
122.03304	1.0
123.04512	100.0
124.04837	1.8
125.02427	9.9
127.03957	0.8
135.04509	0.6
137.02504	0.8
143.03511	1.7
145.05078	2.0
161.04564	1.4
163.06102	11.4
165.05525	0.7
167.03413	1.1
179.05603	0.8
179.95888	0.6
201.07661	1.5
201.11331	1.4
209.04601	1.4
216.35825	0.5
239.05579	1.1
247.08269	1.9
251.05666	1.0
267.07040	0.6
269.10458	0.7
281.06818	1.6
286.83612	0.5
289.06870	0.8
303.84500	0.6
307.10278	18.2
308.10629	0.7
311.07828	0.7
380.58026	0.6
391.10788	0.6
403.10794	0.6
431.10538	0.7
431.15454	4.1
491.13437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.43394	0.2
57.03436	0.6
58.80555	0.2
59.01371	4.6
59.68793	0.2
61.98815	0.6
62.12843	0.3
64.60543	0.3
69.03450	0.7
69.51845	2.1
71.01371	3.0
72.32782	0.3
72.99284	0.4
73.02940	1.0
75.00882	0.6
78.84272	0.2
83.01385	0.4
85.02973	0.9
87.00874	0.3
88.45661	0.3
88.98795	0.3
89.02440	0.7
93.03464	0.7
96.96035	0.3
100.37478	0.3
101.02444	1.4
101.06062	0.7
111.08179	0.4
113.02442	1.0
117.03453	22.6
118.03749	0.6
119.05009	21.6
120.05412	0.4
120.99599	0.3
121.02946	1.2
122.03736	0.3
123.04553	0.6
125.02500	0.4
127.07645	0.4
128.26239	0.3
129.54500	0.2
131.05022	0.2
132.05814	0.4
133.06586	2.3
137.02576	0.4
137.06049	0.8
139.11253	1.0
145.02936	100.0
146.03270	3.3
147.04424	0.4
150.95320	0.3
159.04485	1.0
161.02448	0.5
161.04694	0.3
161.06055	6.8
162.06355	0.4
163.03990	24.4
164.04309	0.7
165.05685	0.3
166.69212	0.3
173.06006	0.3
177.05573	1.9
183.10217	3.1
187.03970	3.3
189.05591	0.3
195.47813	0.3
205.05022	8.0
206.05466	0.3
217.04948	0.6
225.11391	0.3
229.04973	0.6
235.06058	6.0
247.06044	0.7
265.07126	14.1
266.07489	0.8
289.06970	0.4
307.08179	38.4
308.08606	1.9
325.09305	2.3
326.09756	0.3
329.23148	0.4
431.16965	0.9
491.10251	0.8
491.19156	5.6
491.28571	0.8
492.19553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17028	0.5
59.01374	5.7
60.99304	16.4
61.98814	1.2
67.79818	0.5
70.38393	1.8
71.01371	1.7
72.99312	0.7
75.75330	0.5
85.02973	0.7
87.00854	0.8
88.00415	0.9
88.98800	100.0
89.02443	9.0
89.99145	1.1
93.03474	1.0
96.96017	0.8
101.02442	1.2
103.00386	1.8
112.07320	0.5
113.02434	1.0
119.05014	1.2
121.02975	0.8
123.04485	0.5
125.02448	1.6
129.02013	0.5
134.95551	0.5
135.04517	0.8
139.04016	0.7
163.03993	1.2
167.03439	0.9
287.08908	0.6
410.63095	0.5
431.23282	0.7
491.13980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10206	0.5
55.01880	0.4
59.01371	5.9
66.47090	0.4
69.46744	3.3
71.01363	2.8
73.02942	3.4
75.00869	4.0
81.70254	0.4
85.02956	0.8
87.00872	1.0
89.01900	0.9
89.02438	14.1
101.02462	0.6
103.03997	1.2
131.03497	7.3
149.04541	100.0
150.04932	1.0
433.62189	0.5
457.20926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50566	2.6
55.90761	3.2
57.03450	7.0
59.01373	40.1
61.98831	16.9
66.47744	2.9
68.99563	11.9
71.01382	12.9
71.62781	3.7
73.02911	4.3
75.00859	7.0
79.42636	2.9
81.03452	3.4
82.95409	3.8
83.01398	8.3
83.05034	3.0
85.02930	5.1
89.02429	6.6
90.54631	3.4
93.03451	40.7
96.95995	3.8
97.02934	11.2
99.60099	3.1
101.02442	8.0
107.05042	6.8
109.02953	11.8
112.98559	15.1
113.02419	4.3
117.03431	28.2
119.05006	21.4
121.02975	7.6
123.04500	3.5
125.02438	38.6
126.43276	2.9
130.28679	2.7
133.02933	4.6
135.04526	8.4
137.02443	97.0
138.03055	2.8
139.04019	3.5
145.02945	100.0
146.03729	14.1
147.04570	18.6
148.01677	2.9
149.02432	40.1
150.03142	4.0
151.04018	8.7
159.04515	5.4
161.06061	6.5
163.03996	18.5
163.07582	4.5
164.01166	11.7
165.01917	37.5
167.03516	7.4
172.05278	3.6
173.06026	13.9
174.03279	6.8
174.06841	4.8
175.03990	5.8
175.07628	28.6
176.04842	6.6
177.01891	15.4
178.02754	4.1
179.03490	17.3
183.08156	3.2
185.06097	4.0
187.03979	5.5
187.07660	11.7
188.04768	3.5
189.09206	6.1
191.03487	30.8
201.05515	8.8
201.09164	6.9
203.07201	14.9
204.04295	4.8
205.08525	4.3
215.07095	5.1
217.08679	10.5
229.04982	4.3
229.08632	13.0
231.06636	13.2
235.06114	4.0
239.07066	3.9
241.08571	4.6
241.18068	9.9
243.06563	44.1
244.07396	5.3
247.09740	9.0
255.10204	10.1
257.11838	4.5
271.06125	5.4
273.07690	8.3
281.11859	9.3
283.09717	8.6
285.04236	4.2
285.07681	10.2
287.04718	5.1
297.11365	6.7
299.12805	5.8
307.08182	43.2
323.12781	22.8
367.11804	51.1
368.11935	5.7
379.11865	16.3
385.12946	8.9
394.10687	7.7
397.12817	12.9
429.16953	7.1
455.13867	10.5
473.16031	42.6
491.10562	6.5
491.17062	97.5
491.23010	20.6
492.17218	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	491.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20046	0.8
58.16636	0.7
58.81954	0.7
59.01375	6.5
61.98819	1.3
69.03440	1.3
69.42302	5.8
71.01382	5.3
73.02946	2.0
81.03468	4.8
83.01370	8.2
85.02954	3.0
87.00848	0.8
88.98793	4.7
89.02439	2.5
93.03457	5.2
95.01369	1.1
95.04996	2.6
96.95990	2.9
97.02936	3.6
99.04531	1.6
101.02449	3.8
103.03979	1.7
105.31908	0.8
107.05012	1.4
108.02149	1.1
109.02926	1.2
109.06597	0.9
111.04490	1.7
113.02410	1.5
114.87119	0.8
119.03491	1.6
121.02113	1.4
121.02946	15.8
121.06574	0.8
123.04514	35.8
124.04819	0.9
125.02439	9.4
135.04497	3.3
135.98329	1.0
137.02422	3.0
137.06056	5.6
139.03999	5.8
141.05559	1.2
149.02448	1.2
149.06042	1.5
151.04004	2.4
151.07523	0.7
153.05656	1.2
155.03488	0.8
161.06035	1.0
162.03011	0.7
162.77652	0.7
163.04031	3.6
163.06134	2.4
165.01907	2.0
165.05499	3.9
167.03482	25.2
177.05545	1.8
179.03452	5.6
179.07150	1.0
180.04297	1.7
181.05028	2.9
191.03539	1.2
193.05005	5.2
195.06622	1.2
197.04532	3.2
205.04912	0.8
207.06583	1.3
208.97516	0.7
209.04526	39.1
210.04826	1.4
219.02988	1.2
221.04524	8.9
223.06108	1.8
233.04510	1.5
235.06163	2.4
239.05597	14.3
247.08209	1.6
248.03275	1.1
249.03899	0.9
251.05579	100.0
252.05954	3.0
263.05542	5.9
264.49786	0.8
265.07199	1.5
269.06558	1.9
281.06635	62.7
282.06982	2.6
293.06540	3.5
307.10379	4.2
311.07712	18.3
323.07553	1.3
335.07758	0.8
341.08624	0.9
353.08740	6.5
371.09778	18.6
383.09607	4.0
401.10965	2.8
431.14664	0.8
473.13370	0.8
474.59711	0.9
491.13889	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	491.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.0
59.01374	69.2
61.98837	15.2
65.00302	3.2
69.80581	12.4
71.01363	36.5
73.02952	8.2
74.96867	2.5
83.01384	3.4
83.05014	16.6
85.02943	17.0
87.00887	6.7
89.02444	20.5
93.03452	12.7
95.01360	4.9
96.96000	6.5
101.02428	20.5
109.02912	8.2
111.04512	66.8
113.02464	23.1
117.03472	4.1
119.03497	7.5
120.99622	6.5
121.02946	9.4
123.04509	24.8
135.98389	3.7
136.98788	7.2
137.02432	10.7
143.03412	3.6
145.02994	5.3
155.03494	16.5
160.01595	5.5
161.02446	3.4
161.04527	20.4
174.12605	2.8
175.04028	3.6
179.05550	4.1
187.06084	14.9
191.05562	3.7
197.02219	15.0
199.70399	2.7
227.03430	3.7
228.04262	5.3
251.09027	3.3
255.02798	3.2
263.11298	2.9
285.09891	4.3
299.01730	4.3
300.02728	50.2
315.05057	100.0
316.05359	6.5
317.08636	6.0
329.06522	9.2
371.21027	3.0
413.63208	2.9
423.12949	37.5
431.22861	17.7
455.15741	5.0
463.50482	2.7
491.12567	13.4
491.24136	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	491.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98801	0.4
70.36364	0.6
70.36746	0.7
71.01376	1.0
76.38280	0.4
80.90302	0.4
81.03456	5.7
83.01366	4.7
93.03452	1.3
95.05019	7.9
96.96058	1.9
97.02937	1.8
99.03927	0.4
99.04510	2.2
101.02396	1.1
108.02179	0.4
109.02942	0.6
113.02413	0.6
119.05024	0.6
119.38287	0.3
121.02956	1.6
121.06596	0.7
122.03714	1.1
123.04520	9.7
125.02442	13.5
127.04018	0.4
135.04486	0.9
135.98370	1.9
137.02475	2.3
137.06073	11.0
139.04024	2.4
141.05566	1.7
145.02965	0.5
147.04501	0.6
149.02426	1.6
150.03226	0.5
151.03976	1.1
161.04582	0.5
163.03981	1.7
165.01956	1.2
165.05571	3.8
167.03479	30.9
168.03844	1.0
175.00369	0.6
177.05594	0.6
179.03482	5.1
179.05032	0.4
179.05681	0.5
180.04222	1.7
181.05042	2.4
189.01840	0.9
191.03496	8.2
191.05327	0.8
193.01401	0.6
193.05022	0.8
205.05045	4.2
206.02161	0.4
207.02931	1.2
208.03802	0.5
209.04520	100.0
210.04871	3.5
221.04495	1.9
223.06088	0.9
233.04504	20.0
234.04863	0.7
239.05583	3.5
251.05569	4.3
263.05557	1.7
264.11176	0.4
265.15503	0.5
275.05484	0.7
281.06702	1.3
301.20712	0.4
311.07605	1.5
329.08810	1.2
348.43384	0.4
353.08777	0.8
371.09772	84.9
372.10159	4.5
381.28003	0.4
401.10901	2.1
491.13922	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	491.1193
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
55.05776	0.4
59.01379	5.0
61.98812	1.4
69.66365	2.9
69.66744	0.9
71.01374	2.7
73.02942	1.0
81.03439	0.9
85.02947	1.8
89.02431	0.9
93.03443	1.1
95.01373	0.9
96.95988	1.0
100.78006	0.4
101.02444	0.7
107.01382	1.0
108.02170	44.1
109.02953	29.0
110.03279	0.6
111.30580	0.5
113.02431	0.9
120.99654	3.6
121.02949	2.9
123.00867	0.7
123.04453	1.2
132.02184	4.7
133.02931	3.9
134.03745	6.8
135.00905	0.8
135.04523	2.2
137.02438	0.5
139.09422	0.5
145.02936	0.6
149.06094	1.2
151.00351	0.6
151.03984	1.0
152.01143	54.4
153.01930	24.3
159.04671	0.4
160.01648	23.9
161.02446	13.2
163.04034	1.0
165.01982	0.9
167.03479	0.9
171.06696	0.7
175.03979	19.4
176.04425	0.8
178.02708	0.7
179.03484	1.5
183.10222	0.8
193.05040	3.1
225.11307	1.1
227.03362	0.5
229.56018	0.5
243.06499	1.0
284.03259	2.3
285.03833	4.7
286.04172	5.4
287.04471	3.6
313.03629	1.0
315.07254	16.5
316.07730	0.7
323.07635	2.8
337.09326	0.7
431.22745	1.0
447.13010	0.9
459.09521	0.9
491.11853	100.0
492.12140	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52465	0.5
55.66943	0.6
57.03434	1.4
57.78299	0.5
58.34415	0.5
59.01372	18.3
61.98808	1.6
69.03443	0.8
69.15515	0.6
70.97157	0.6
71.01373	10.2
71.62686	0.7
72.97523	1.0
72.99287	1.3
73.02941	3.1
74.99083	1.1
83.01398	1.2
85.02945	8.0
87.00867	2.6
89.02439	4.7
93.03442	6.7
95.01364	2.0
96.95988	3.4
99.00887	2.8
101.02416	4.0
103.00363	1.1
107.01360	0.8
113.02444	10.0
115.00389	1.2
117.01911	0.8
117.03447	0.7
117.97295	0.6
119.03468	1.8
119.05000	6.4
120.99642	36.1
122.99242	1.2
123.17790	0.6
135.04501	0.7
135.98299	1.2
136.99103	0.8
139.11285	0.6
143.03487	0.6
145.02983	3.3
147.04506	1.0
150.03247	0.7
151.00357	1.7
161.04488	1.6
163.03979	1.8
163.06082	1.5
175.02431	2.0
175.03842	0.7
178.83781	0.6
179.05542	1.6
183.10229	1.1
205.05154	0.6
225.09204	6.8
243.02849	0.9
269.08060	1.4
271.02481	0.7
272.03168	5.9
285.03885	1.5
287.09161	1.6
295.82138	0.7
299.01923	0.7
300.02701	65.9
301.03140	4.1
315.05057	100.0
316.05331	4.8
329.10159	2.0
331.89932	0.6
337.03101	0.7
357.06192	1.1
387.07053	0.9
431.13492	1.5
431.22659	3.2
447.29932	0.8
449.14297	0.6
490.30399	3.5
491.08347	14.3
491.20343	3.2
491.30164	1.5
492.08066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10677	0.2
57.55151	0.2
59.01369	2.8
61.98823	100.0
63.02409	0.4
65.00314	0.2
66.02288	0.2
70.90826	0.2
71.01366	0.8
71.63570	0.4
72.99330	0.2
73.02945	0.6
75.00873	0.2
83.01384	0.3
85.02943	0.7
87.00881	0.4
89.02433	1.0
96.96013	0.3
101.02454	0.7
107.01381	0.6
108.01663	0.2
109.02923	0.3
113.02441	0.6
115.02998	0.2
118.98061	0.7
119.05011	1.8
120.99670	1.1
121.02942	0.5
122.99275	0.3
123.04490	0.2
124.19383	0.2
125.02449	0.5
133.02948	0.9
134.03729	0.3
134.24005	0.2
135.04445	0.7
145.02933	0.6
149.02422	0.4
151.00346	1.2
152.00742	0.6
153.01929	0.3
160.01627	0.4
161.02397	0.4
163.03984	2.0
164.10309	0.3
175.04016	0.6
176.04305	0.3
179.10727	0.5
180.04039	0.2
181.05035	0.6
199.03967	0.4
200.04453	0.6
211.03773	0.2
223.06100	0.5
227.03403	0.3
228.03857	0.4
256.03574	1.0
257.04068	1.0
268.33200	0.2
270.01697	0.2
284.03220	9.8
285.03732	27.7
286.04324	18.8
287.04581	0.9
299.05515	1.5
300.05887	2.6
313.03433	0.5
315.04532	0.3
328.05481	0.4
380.72098	0.2
461.07245	0.4
490.10651	31.2
491.10733	3.7
491.21707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19814	0.7
55.01877	0.7
57.03431	1.0
58.00594	2.2
59.01371	100.0
60.01711	1.2
61.98816	1.0
69.03441	1.3
69.31625	6.1
71.01374	28.2
72.99279	3.1
73.02939	34.7
83.01385	1.6
85.02943	11.6
86.00084	1.2
86.96920	0.6
87.00862	9.4
87.04482	4.4
89.02434	28.0
95.36872	0.6
96.96031	4.0
97.02924	1.9
99.04504	0.9
101.02428	56.4
101.32902	0.7
102.02785	1.2
103.04000	25.9
113.02438	3.0
115.03990	8.5
119.03484	13.3
125.02457	3.5
127.03968	2.4
131.03488	12.9
143.03491	14.3
145.05048	8.2
163.06100	97.4
164.06474	2.4
179.05569	1.9
205.07138	25.3
206.07468	1.1
235.08220	1.4
243.13126	0.7
248.88391	0.7
265.09238	10.6
285.03995	0.7
327.05444	0.7
429.17584	13.7
430.17804	1.0
457.32681	0.8
489.10135	0.8
498.69232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96946	0.7
57.03439	1.4
58.00588	1.5
59.01373	90.7
60.01693	1.2
61.98835	3.3
63.02396	1.4
65.00336	1.6
69.03453	1.7
71.01373	9.6
71.05009	1.2
71.62717	0.6
72.99307	2.5
73.02938	3.1
74.99079	0.6
75.00871	1.8
83.01385	1.8
83.05019	0.6
85.02948	3.1
85.96410	0.5
87.00861	1.1
87.04492	0.7
88.98834	0.8
89.02451	4.5
93.03433	0.6
93.07114	1.3
95.01407	1.3
96.96000	4.7
97.06569	0.9
99.00887	1.7
101.02442	5.5
101.06081	1.9
107.01393	2.7
109.02970	1.0
109.06584	1.7
111.08162	2.1
113.02415	2.8
115.00339	0.8
117.01997	0.6
117.03468	7.2
118.98075	2.1
119.03510	2.2
119.04986	3.6
120.99653	2.1
121.02956	1.8
121.06502	0.6
123.04501	1.8
123.08118	1.4
125.02448	1.9
125.06086	1.1
127.07643	5.9
131.03514	0.8
133.02927	5.9
134.03734	1.9
135.04526	1.7
135.98409	2.0
136.05260	2.8
137.02428	1.1
137.06056	5.0
139.11284	3.8
143.03419	0.7
143.07130	2.7
145.02936	25.6
146.03261	1.1
147.04497	0.8
149.02451	2.3
149.06061	0.9
150.06824	0.9
151.00368	4.9
151.03990	1.1
151.07623	1.3
153.09187	0.7
155.07118	5.5
159.04492	1.3
160.01636	0.8
161.02441	4.2
161.04539	1.7
162.02919	0.8
162.06808	1.5
163.03952	3.6
163.07661	1.2
165.05565	1.5
165.09163	1.7
169.08646	0.7
175.04010	3.7
177.01842	0.7
179.03555	0.9
179.10783	0.9
180.07893	2.4
181.08702	4.7
181.12389	1.2
183.04488	0.8
183.10242	15.6
187.09758	0.7
191.05573	1.3
191.43236	0.7
195.04443	0.7
197.11792	8.6
199.03998	2.3
200.04773	0.8
203.03554	0.9
207.10239	1.0
211.04074	1.5
217.05087	1.5
217.89891	0.7
225.11295	17.6
226.11635	0.6
227.03400	1.5
241.05133	1.2
255.02994	1.5
255.12329	2.3
256.03726	4.9
268.03720	0.7
269.04520	1.7
274.79971	0.6
277.12936	1.1
283.02289	0.8
284.03217	68.7
285.03992	100.0
285.13477	2.0
286.04385	5.4
297.03833	0.9
307.08252	7.7
323.13458	2.2
327.04959	1.3
327.21823	0.9
369.09662	1.7
399.10736	1.5
429.08182	1.6
429.21005	1.6
447.08966	0.7
447.36761	0.6
472.15372	0.6
489.10477	81.7
489.17307	7.9
489.23169	41.2
490.10870	9.2
490.17679	1.2
490.23471	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
50.21785	0.3
61.98819	0.5
70.94389	0.8
79.10126	0.4
106.35495	0.4
127.95653	0.3
139.05017	0.3
164.62537	0.3
250.29938	0.4
383.33249	0.5
397.34821	0.7
399.36166	2.7
427.35880	0.9
429.33801	1.4
443.35223	1.0
445.36740	3.6
489.35788	100.0
490.36124	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	489.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	1.9
59.01373	33.1
61.98814	4.7
64.02106	1.0
66.04835	1.0
70.81242	2.2
70.81573	1.3
71.01375	25.9
72.99293	2.1
73.02934	3.1
83.82199	1.3
85.02935	6.7
87.00851	4.8
89.02444	23.3
93.03465	2.8
96.96014	8.4
97.02930	1.2
98.95560	4.3
99.00846	1.7
101.02435	15.4
113.02435	8.3
116.92839	2.3
117.01924	1.2
117.03452	5.1
118.98066	1.4
119.03498	6.0
119.05029	2.7
121.02938	1.8
123.04531	2.5
125.02408	4.7
131.03448	3.1
131.07059	1.2
132.02159	18.1
133.02943	4.8
133.05013	1.4
134.03728	45.4
134.97017	1.2
137.02428	1.4
145.02882	2.7
147.04514	3.3
148.05272	3.0
149.04539	1.9
149.06021	8.5
151.06122	5.9
158.03783	1.6
160.01643	85.2
161.02051	2.6
161.04517	3.3
161.06018	1.4
163.03983	3.1
173.06006	1.9
175.03983	100.0
176.04752	13.7
177.01857	2.1
177.05513	1.4
178.02676	3.4
179.03496	1.5
179.05557	2.3
191.05554	4.7
191.07095	19.3
193.05035	75.5
194.05328	2.7
195.06546	1.7
207.06612	6.4
211.07622	35.7
217.04813	1.6
219.06810	1.4
220.03784	2.2
235.06082	65.1
236.06395	3.4
265.07114	14.6
284.88489	1.2
285.03949	1.3
295.08124	13.8
327.08545	3.2
337.09186	3.4
355.10291	5.7
357.15555	1.4
453.06750	1.2
471.16599	2.0
482.00238	1.4
489.15973	95.1
490.16202	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	489.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.8
59.01374	100.0
59.01674	5.5
61.98824	5.0
63.28841	2.5
67.12525	2.7
69.38821	18.2
71.01372	34.2
72.99308	3.6
73.02937	23.0
83.01360	3.9
85.02949	9.7
87.00865	7.6
89.02443	27.9
96.96004	34.0
98.19864	4.6
98.95636	2.9
99.04545	2.6
101.02428	44.3
103.04006	13.7
106.53867	2.5
113.02448	7.2
115.04002	3.4
115.52708	2.8
119.03490	11.4
120.99644	93.7
125.02415	4.3
131.03491	8.0
143.03456	12.5
145.05055	4.0
161.09673	6.2
163.04024	3.7
163.06104	66.1
165.05486	3.2
166.02605	2.4
174.01729	3.1
179.05609	4.0
195.06493	3.8
196.05576	2.7
205.07156	20.5
221.09984	10.7
235.01837	2.5
241.10747	2.8
265.09235	7.3
284.03281	12.6
285.03958	16.6
351.35007	2.7
359.11652	4.8
429.17523	11.9
489.10251	11.1
489.17944	20.2
489.30200	13.2
490.30112	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	489.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30809	0.6
53.77213	0.7
57.03423	0.7
57.46759	0.6
59.01372	17.2
61.98814	2.3
63.02398	0.8
65.00331	1.7
71.01047	0.7
71.01370	4.6
71.62991	0.9
73.02937	3.8
81.03448	0.9
83.01386	1.5
85.02960	2.1
87.00846	0.9
87.04548	0.8
89.02448	1.9
92.96865	0.7
93.03441	2.1
96.95995	1.9
97.06571	1.2
101.02413	4.2
102.98587	3.2
107.01379	2.1
107.05053	1.2
108.02191	0.9
109.02970	5.2
109.06580	4.0
113.02441	1.7
117.03454	18.5
117.04254	1.3
118.98078	0.7
119.03545	1.1
119.05015	13.3
120.99656	3.7
121.02943	7.1
122.03724	1.4
125.02437	8.2
125.09698	9.1
132.02155	2.7
133.02953	7.2
134.03729	3.7
135.04512	7.6
137.02429	1.4
137.06067	26.7
137.07138	1.5
145.02937	100.0
146.03265	3.6
149.02432	1.4
151.00357	5.2
160.01631	15.5
161.02377	3.7
161.04565	1.1
161.05972	1.2
163.03987	9.0
167.10703	1.3
175.03972	24.9
176.04420	0.8
177.94385	0.7
179.03503	1.1
181.05040	73.1
182.05368	2.6
187.03941	1.2
187.09727	10.1
191.05556	1.2
193.04950	4.1
199.03967	2.3
200.04578	0.9
201.11403	1.4
211.09749	2.8
217.04999	1.1
227.03410	1.4
229.10797	1.0
241.05054	0.8
243.02943	1.0
255.03036	1.2
256.03745	3.5
268.03833	0.8
269.04407	1.0
283.02274	0.9
283.05026	3.4
284.03226	52.1
285.03992	90.9
286.04324	5.5
307.08197	41.3
308.08572	2.8
325.09406	1.2
327.04907	1.8
343.10260	35.1
344.10574	1.6
429.08044	1.7
447.09143	0.8
453.17609	33.5
454.18039	2.9
489.10583	57.2
489.20462	5.4
490.10373	3.7
490.15405	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58189	0.9
59.01371	17.5
60.88875	0.8
61.98820	2.4
63.02382	0.9
64.25632	0.8
65.00313	1.3
68.46074	0.9
69.66888	5.2
71.01370	5.6
71.87744	0.8
73.02941	2.0
83.01389	1.2
85.02945	1.8
87.00865	1.5
89.02426	2.0
90.81391	0.9
96.95997	1.8
97.02990	0.9
97.06576	0.8
101.02435	2.6
102.98568	1.9
103.03950	0.8
107.01389	1.7
109.02950	7.4
109.06581	4.0
109.83263	0.9
113.02423	1.8
117.03459	16.4
118.98071	0.9
119.05013	11.8
120.99647	2.2
121.02948	7.1
125.02428	4.9
125.09714	5.6
132.02176	1.5
133.02924	5.4
134.03737	3.0
135.04539	5.9
137.02483	1.7
137.06062	28.6
145.02937	100.0
146.03304	3.6
149.02438	1.5
151.00339	5.2
159.04539	1.0
160.01653	11.0
161.02408	3.6
161.06004	1.4
163.03947	9.9
163.04944	0.8
169.08626	0.9
175.03972	17.8
181.05046	71.9
182.05432	1.8
187.03926	0.9
187.09726	6.5
193.04997	2.8
199.04018	2.0
201.01913	0.8
211.04010	1.6
211.09659	1.9
221.04425	0.8
227.03464	1.1
229.10588	1.0
241.04858	1.1
247.06213	1.1
255.02948	1.2
256.03760	3.5
266.64529	0.8
269.04535	1.4
273.54364	0.8
283.02121	1.6
283.04749	1.8
284.03226	50.4
285.04010	85.5
286.04398	4.5
307.08194	35.6
308.08609	2.3
327.05283	1.0
343.10266	31.2
344.10690	1.5
355.13412	1.0
446.97009	1.1
453.17618	20.0
454.17740	1.6
489.10510	52.2
489.20596	2.2
489.27280	1.4
490.10904	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	489.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01936	0.2
54.71813	0.2
58.99592	1.0
59.01089	0.3
59.01373	4.5
63.02390	1.7
65.00320	1.4
72.99268	0.2
73.02923	0.4
74.41955	0.2
80.31783	0.2
83.01369	1.2
85.02943	0.6
87.00854	0.7
89.02415	0.9
93.03414	0.3
96.96015	1.9
98.19878	0.6
101.02428	0.7
102.38898	0.2
102.98586	4.7
103.40662	0.2
107.01378	3.1
109.02921	0.5
113.02411	0.5
119.03503	0.2
119.05034	0.2
121.02965	0.9
123.00861	0.3
125.02409	0.5
126.31728	0.2
132.02147	0.3
133.02943	5.4
134.03732	1.3
135.04497	0.3
137.09676	0.2
145.02948	0.3
147.04427	0.4
148.01624	0.5
149.02461	1.5
149.99567	0.5
151.00351	5.9
152.00749	0.2
161.02425	0.5
161.04506	0.6
163.00459	0.3
163.03992	0.4
165.05536	0.2
169.06525	0.2
171.04446	0.4
173.06033	0.3
174.01665	0.6
174.03053	0.2
175.03989	1.9
183.04503	0.8
185.06049	0.3
187.04013	0.5
188.04758	0.3
195.04448	0.2
197.05989	0.6
198.03159	0.5
199.03995	2.2
200.04762	0.9
201.01903	0.7
211.03949	1.4
212.04703	0.5
213.05539	0.4
215.03496	0.4
217.04961	1.0
223.03966	0.2
226.02669	0.3
227.03497	2.3
228.04131	0.4
229.04922	0.3
229.36879	0.2
239.03418	0.7
240.04088	0.2
241.05040	0.7
243.02896	0.6
255.02916	1.5
256.03717	5.2
257.04260	0.5
267.02850	0.4
269.04419	1.0
281.04352	0.2
283.02393	0.7
283.04962	5.1
284.03214	85.5
285.03986	89.2
286.04343	4.2
297.03873	1.2
299.05646	0.4
313.03464	0.4
327.05057	2.4
359.19534	0.2
399.07245	0.4
411.07602	0.2
429.08200	15.5
430.08563	1.2
439.33231	0.2
447.09082	1.6
489.10300	100.0
490.10678	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	489.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.3
63.02385	1.3
65.00335	0.7
70.39531	0.1
73.10701	0.2
83.01391	0.9
96.45882	0.2
98.20626	0.7
101.86833	0.2
105.03419	0.3
107.01387	2.7
109.02943	0.4
121.02924	0.3
132.02144	0.5
133.02011	0.3
133.02940	3.7
133.03957	0.2
134.03758	1.1
148.01672	0.5
149.02454	1.2
149.99576	0.3
151.00349	4.9
169.01421	0.2
171.04419	0.3
171.38820	0.2
174.03099	0.2
175.03989	1.5
177.01909	0.2
183.04535	0.5
187.03987	0.5
188.04863	0.4
195.04550	0.2
197.02451	0.2
197.05933	0.2
199.03966	2.0
200.04710	0.8
201.01942	0.4
211.03970	1.2
212.04745	0.5
213.05490	0.4
214.02655	0.3
215.03406	0.4
217.04977	0.9
227.03477	2.1
228.03972	0.2
239.03505	0.5
240.04294	0.3
241.05025	0.4
242.02112	0.2
243.02820	0.5
255.03018	1.2
256.03717	4.6
257.04327	0.4
262.06345	0.2
267.02930	0.4
269.04462	0.2
277.88730	0.2
283.02515	0.7
284.03226	76.6
285.03992	100.0
286.04346	5.6
286.07663	0.3
297.04050	0.9
327.05045	1.3
447.09119	0.3
489.10315	73.6
490.10638	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	487.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58720	0.7
69.59135	1.4
72.99269	0.8
92.52054	0.3
93.34215	0.3
107.49979	0.3
111.08116	0.7
133.77483	0.3
153.49002	0.3
159.11139	0.3
174.96556	0.4
274.94702	0.3
297.56888	0.3
397.34671	11.2
398.35077	1.4
425.34283	1.2
435.27155	0.4
435.81030	0.3
441.33804	0.5
443.35226	10.2
444.35602	1.2
469.32620	0.5
476.80698	0.4
487.34210	100.0
488.34613	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	487.3423
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01362	0.7
61.98816	0.5
69.60724	2.1
79.34064	0.4
83.29399	0.4
90.65411	0.4
102.23186	0.4
105.69714	0.4
179.03534	0.4
330.97147	0.5
343.64597	0.4
354.32916	0.4
365.28000	0.5
369.31833	0.6
381.31479	0.7
399.32645	1.9
409.31030	0.4
413.33810	0.5
427.32095	2.3
487.34213	100.0
488.34583	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32116	0.3
59.01368	0.3
61.98808	0.4
71.62677	0.3
72.99316	0.7
73.30120	0.3
103.35837	0.2
179.36345	0.3
193.65700	0.3
298.37732	0.3
381.31537	0.5
394.09219	0.4
395.33258	0.3
397.34647	10.1
398.35217	1.5
417.30283	0.3
425.34183	1.1
427.32492	0.4
441.33661	1.1
443.35278	3.2
458.83679	0.3
469.33194	0.8
487.34219	100.0
488.34528	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	489.1033
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.41645	0.1
59.01363	0.3
61.98820	0.2
63.02398	0.4
64.31540	0.1
65.00310	0.8
65.65571	0.1
66.22990	0.1
66.30604	0.1
69.59595	0.9
70.81216	0.1
73.02925	0.3
79.58824	0.1
83.01363	0.6
96.95992	0.1
97.17759	0.1
105.03428	0.2
107.01382	1.9
119.03505	0.1
120.88490	0.1
121.02932	0.5
126.08042	0.1
132.02208	0.2
133.02939	8.9
133.94836	0.1
133.95901	0.1
134.03302	0.3
145.02919	0.4
148.01668	0.1
149.02414	1.7
151.00346	5.1
162.33603	0.1
169.06548	0.2
171.04500	0.3
175.03978	2.7
181.05034	0.3
185.06030	0.3
189.05550	0.2
197.05966	0.3
198.03214	0.5
199.03975	2.4
201.01933	1.0
211.03964	0.2
212.04765	0.1
213.05524	0.5
215.03493	0.4
217.05022	1.4
223.03973	0.3
227.03445	0.2
229.05022	0.2
239.03438	0.2
240.04088	0.1
241.05011	0.9
242.01996	0.2
243.02994	0.7
256.03824	0.7
257.04498	0.5
265.16489	0.1
267.02841	0.2
284.03250	4.4
285.04007	100.0
286.04352	5.5
307.08063	0.1
343.10443	0.1
353.68094	0.1
360.47873	0.2
489.10321	5.7
490.10776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.305
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
59.01366	2.4
61.98834	4.1
69.55929	4.4
79.24610	0.6
79.95728	1.2
90.20392	0.7
91.17873	0.7
91.35276	0.6
93.03422	1.1
96.96004	33.0
117.81268	0.7
121.08710	0.7
121.56587	0.7
125.02364	0.7
153.01929	0.8
167.84541	0.8
207.06577	1.0
235.06009	0.9
250.08569	1.3
373.14249	0.8
433.74512	0.7
451.32880	1.2
481.52267	0.7
487.30527	100.0
488.30908	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75604	0.4
57.03424	0.4
58.25218	0.4
59.01372	3.5
61.98823	0.7
62.22128	0.4
67.30560	0.4
71.01378	2.6
71.62609	0.5
75.00859	0.4
80.91718	0.6
85.02961	1.0
87.00824	0.4
88.98800	0.7
89.02448	2.3
93.03457	1.0
96.96009	3.1
101.02440	1.8
109.02947	1.3
111.00878	0.6
113.02440	0.7
113.55503	0.4
115.00359	1.4
117.03465	4.4
119.05016	100.0
120.05340	2.9
121.02919	0.5
123.04521	1.0
125.02412	1.8
131.07117	0.5
133.01418	1.2
135.04509	0.6
137.02449	1.4
143.03447	0.5
145.02939	17.0
146.03328	0.8
148.05316	0.5
149.06075	0.5
151.03987	0.8
161.06093	1.0
162.56586	0.4
163.03995	70.6
164.04349	1.8
165.01978	0.5
175.03893	0.8
176.04756	1.0
179.03455	0.9
179.05655	0.7
187.04050	0.6
191.05595	1.7
191.07170	1.0
193.05057	0.9
197.68701	0.5
203.07127	1.3
205.05035	1.3
221.08241	0.7
235.06104	3.8
245.08173	1.5
247.06076	0.6
265.07135	1.0
289.07156	3.9
307.08179	0.6
349.01334	0.4
409.22809	0.4
451.12436	4.9
487.14539	39.9
488.14938	2.8
503.27032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01376	11.2
61.33496	0.5
61.98496	0.9
61.98809	4.3
69.37008	1.7
69.37425	3.0
71.01369	5.1
73.02951	1.2
79.84303	0.6
83.01371	1.0
85.02941	1.2
87.00891	0.7
89.02430	2.9
93.03442	2.1
95.01418	0.7
96.96028	1.0
97.02965	0.8
99.04492	0.6
101.02434	2.1
113.02435	2.3
117.03454	33.5
118.03808	0.9
119.03648	0.9
119.05019	24.3
121.02995	1.5
125.02489	0.9
132.05794	1.0
133.06590	5.1
135.04486	0.8
135.08134	0.7
137.02464	1.6
145.02934	100.0
146.03305	3.8
147.04474	0.9
161.06064	18.9
161.09697	0.9
162.06461	0.7
163.03990	35.9
164.04309	1.2
175.03932	0.6
177.05554	7.1
179.03500	1.1
179.10785	1.2
185.11833	1.3
187.03970	1.6
205.05032	28.8
206.05385	1.5
209.11166	0.5
224.76512	0.6
235.06068	12.2
236.06619	0.7
251.05348	0.9
265.07117	26.2
266.07452	1.0
319.47241	0.6
325.09262	2.0
339.03229	1.7
367.02792	3.7
397.03748	0.9
451.19583	1.9
487.19629	50.7
488.19995	6.2
506.86014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74220	0.3
59.01369	9.9
61.98831	2.8
65.31915	0.5
71.01373	4.6
71.63111	0.8
72.99299	0.6
73.02924	0.5
76.25247	0.4
78.95763	0.4
80.76963	0.5
83.01430	0.8
85.02943	1.8
87.00864	0.6
89.02437	3.2
93.03445	1.3
96.96021	0.8
101.02427	2.9
113.02434	1.7
117.03454	32.1
118.03784	0.5
119.05011	31.2
120.05320	0.5
121.02966	2.1
123.04554	0.5
131.04991	0.6
132.05809	1.9
133.06598	6.2
145.02933	100.0
146.03227	2.8
147.04488	0.7
159.04475	0.9
161.06061	19.9
162.06471	0.6
163.03986	38.5
164.04301	1.1
166.57115	0.4
177.05542	5.7
179.10768	4.4
187.03972	3.1
205.05023	30.8
206.05345	1.3
235.06078	31.3
236.06419	1.3
265.07126	70.8
266.07379	2.3
307.08084	0.9
325.09171	7.1
326.09500	0.5
384.63150	0.5
427.19757	0.6
487.19687	10.4
487.25287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1243
Annotation	venturamide A
Peak:m/z	Relative Intensity
57.03447	1.0
59.01377	9.5
61.98825	5.9
62.50478	0.5
71.01382	5.8
71.63010	0.9
73.02957	1.0
83.01407	0.8
83.98100	0.5
85.02950	3.0
87.00840	0.8
89.02435	3.6
93.03470	1.2
96.96001	4.6
99.00854	0.7
99.07764	0.7
101.02441	4.7
109.02957	1.1
113.02453	2.7
117.03450	9.2
118.03832	0.6
119.03520	1.0
119.05018	6.9
121.02953	1.3
123.04544	0.7
125.02424	2.2
126.21619	0.5
131.05006	1.1
132.02155	2.3
133.02945	29.3
133.06625	0.8
134.03725	2.7
135.04514	47.8
136.04877	1.2
137.02440	1.7
140.31514	0.6
145.02940	26.4
145.04094	1.3
146.03296	1.0
147.04503	1.1
148.05299	1.0
149.06081	5.5
153.01924	0.8
160.01627	2.3
161.02426	100.0
161.06088	2.6
162.02779	3.1
163.04001	5.8
168.00560	0.6
173.04483	0.7
175.04012	4.9
177.01949	4.0
177.05550	9.8
178.02298	1.7
179.03484	59.9
179.10846	0.6
180.03786	1.3
183.10419	0.7
184.10834	0.7
189.05489	0.7
191.05580	1.6
193.56645	0.7
201.11043	0.6
203.03435	2.2
205.05019	1.0
221.04523	12.8
235.06033	0.8
251.05560	15.5
252.05910	0.8
255.02826	0.9
265.07135	1.0
281.06631	18.4
282.06818	0.7
307.08157	2.2
323.07611	20.8
324.08026	0.9
337.09094	1.7
341.08698	28.2
342.09052	1.2
427.10294	0.9
451.15564	1.3
468.15332	0.7
487.12183	25.4
487.18820	1.6
487.26202	1.3
488.12396	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	486.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04118	0.2
59.01365	1.0
61.98823	100.0
62.20111	0.2
65.01266	0.2
66.85588	0.2
69.29712	2.4
71.01384	0.7
74.17534	0.2
85.06609	0.3
93.03444	0.6
105.21500	0.2
115.94341	0.2
117.03505	0.4
121.02959	0.6
122.03258	0.4
125.02433	0.3
131.07143	1.1
132.07481	0.3
132.43227	0.2
135.04573	0.2
137.02446	1.3
145.02951	1.1
148.70531	0.2
160.10999	0.3
163.04044	0.4
179.03487	0.3
179.07123	0.4
205.05186	0.3
339.40009	0.3
423.16376	0.5
449.18591	0.3
451.19754	2.0
471.69492	0.2
486.16812	0.4
487.22607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98822	100.0
67.73343	0.2
69.26109	0.9
69.26535	1.2
70.53627	0.2
71.01360	0.4
87.00820	0.2
89.02435	0.3
93.03481	0.5
96.96034	0.3
108.26781	0.2
111.04506	0.4
117.03471	0.8
119.05036	0.8
137.04694	0.2
145.02939	3.6
163.03957	1.1
177.01947	0.6
178.02258	0.2
185.11749	0.3
191.05550	1.8
192.06010	0.4
205.05054	0.7
232.10750	0.2
235.06064	0.3
265.07239	0.7
423.16736	0.6
428.08432	0.3
448.85446	0.2
449.14270	0.3
450.15149	0.7
486.20871	0.5
487.19632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78586	0.4
61.98811	2.0
71.53876	0.5
81.75052	0.5
83.01398	0.4
88.04031	52.0
89.04370	1.1
96.96075	0.5
107.02860	0.4
138.81842	0.4
147.08153	1.7
149.09715	1.4
161.09718	1.3
163.11253	2.7
187.11278	2.4
265.12149	0.6
279.13855	0.7
280.14621	1.3
281.15216	0.5
307.17041	0.7
309.22119	1.8
321.18619	0.4
324.23715	0.4
337.21677	100.0
338.21997	7.3
382.27689	0.5
405.26505	0.6
441.33755	0.5
486.26813	15.3
486.33179	0.9
487.26965	1.5
487.34299	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	486.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.98825	100.0
62.53709	0.2
69.35799	1.0
69.36218	1.4
69.42313	0.3
69.47649	0.3
71.01392	0.5
72.06767	0.3
77.74851	0.3
80.68307	0.3
83.05027	0.4
89.02430	0.4
93.03460	0.7
93.37451	0.3
96.96035	0.3
101.02438	0.4
111.04533	0.5
119.05052	1.0
120.89269	0.3
123.04531	0.6
125.02483	0.6
133.02960	0.4
135.04491	0.5
151.00377	0.8
155.03455	0.3
157.04059	0.3
162.01311	0.3
175.03946	0.3
176.04530	0.3
191.05643	0.5
216.50766	0.3
284.03174	2.0
285.03741	9.2
286.04355	10.5
287.04965	1.0
288.05423	0.5
448.09576	13.9
449.09998	1.3
450.10367	1.2
468.16318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10331	0.3
59.01376	4.1
61.98823	100.0
69.03473	0.3
71.01379	1.9
73.02943	0.7
76.59180	0.3
85.02946	1.0
88.98785	0.4
89.02453	1.4
89.03947	0.5
95.05032	0.5
96.95997	2.2
99.00901	0.4
101.02431	1.1
105.03469	1.0
108.02157	0.8
109.02910	0.4
113.02470	0.7
113.06052	0.7
117.03493	1.3
119.03480	0.6
119.05034	1.2
121.02924	0.5
123.04510	0.4
125.02460	1.2
133.02924	2.3
134.03296	1.3
135.04501	0.4
145.02943	3.8
147.04570	1.7
148.04892	0.5
151.04004	0.6
161.04605	0.4
161.06039	0.9
163.03999	0.8
167.03488	0.9
168.00702	0.5
177.01907	26.5
178.02258	15.5
179.02394	0.6
179.05592	0.6
179.10767	0.5
191.05580	0.5
214.84592	0.3
235.05916	0.3
285.04044	1.0
286.04327	0.9
291.16522	0.4
295.09076	0.3
339.07132	0.9
340.07700	0.9
423.16449	1.7
448.09802	0.7
451.10315	0.6
486.11108	4.5
486.19940	1.1
487.11032	0.3
487.19431	0.7
487.26111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98824	100.0
62.98539	0.3
69.26006	1.9
71.01384	0.4
74.00976	0.2
83.75330	0.2
85.02917	0.4
87.00840	0.2
93.03479	0.6
96.95999	0.3
98.20574	0.4
101.02454	0.3
117.03451	0.7
119.05008	0.5
125.99573	0.2
140.87781	0.2
145.02946	3.2
155.28734	0.2
159.39381	0.2
163.04001	0.7
177.01967	0.2
178.02275	0.3
179.07094	0.3
185.11900	0.3
191.05585	1.4
192.05923	0.4
205.05101	0.5
265.07062	0.5
337.29840	0.2
423.16772	0.4
449.14566	0.4
450.14752	0.5
487.19635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	48.1
61.98812	43.2
63.00378	9.6
68.99564	60.7
69.77316	42.4
71.01394	13.3
78.15221	8.9
87.00858	12.7
89.02438	12.9
93.03458	22.1
96.96003	100.0
101.02434	19.6
109.02914	10.9
112.98553	58.6
138.01947	18.8
177.01770	11.4
181.12170	10.8
183.91249	8.8
193.01357	29.5
195.26224	8.3
214.19810	8.5
241.00208	35.0
243.06540	13.8
246.15073	9.6
260.12711	11.3
262.35760	9.3
285.04050	33.6
301.97318	9.4
337.47330	9.2
447.09222	23.0
449.14459	20.1
485.07785	36.8
485.21545	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
59.54702	0.3
61.98818	1.4
67.01875	0.6
70.76080	0.3
71.01366	0.7
71.62701	0.4
73.02942	0.3
78.95901	1.0
79.95734	2.7
81.03435	0.3
85.02957	1.5
87.00859	1.6
93.03450	4.8
93.25558	0.3
96.96002	100.0
97.95975	0.3
98.95602	1.3
101.02409	0.7
111.04514	0.8
113.02460	0.5
117.46794	0.3
123.04520	0.6
134.03711	0.5
135.04507	0.4
136.01625	0.5
137.02428	1.9
155.03444	0.5
161.02469	0.5
163.04024	0.9
173.04512	1.7
179.03493	1.2
191.05592	6.3
191.07324	0.4
201.59508	0.3
261.39206	0.3
361.57394	0.3
362.62628	0.3
369.08420	0.3
411.47592	0.3
449.14706	0.5
467.15598	3.0
468.15961	0.5
485.17026	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	485.2022
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
52.55685	0.2
55.01865	0.9
57.03442	2.6
58.00587	2.7
59.01374	16.9
61.98825	0.4
69.03450	6.1
69.66209	1.6
71.01376	15.2
71.04998	1.5
72.99301	1.0
73.02940	1.9
75.00867	1.0
81.03413	0.3
81.07076	1.2
83.01392	1.3
83.05058	0.4
84.02174	0.2
85.02943	4.5
86.03743	0.8
87.00884	0.3
87.04508	1.0
89.02440	3.3
91.05495	0.2
93.03436	0.5
93.07092	3.8
95.01353	0.4
95.05019	1.9
96.95989	0.3
97.02949	0.8
97.06590	1.0
99.00847	0.6
99.08166	1.2
101.02422	3.5
105.03419	0.2
107.05029	0.6
109.06580	4.8
110.06915	0.3
111.04555	0.4
111.08153	4.2
113.02421	1.3
113.06110	0.6
119.03479	0.5
119.04986	0.6
121.02947	2.0
121.06590	0.3
122.03276	0.5
123.08158	3.1
125.02433	2.0
125.06071	2.1
125.09676	0.2
127.07636	19.0
127.69739	0.2
128.07965	0.4
133.02945	0.5
135.04515	0.3
137.02463	0.4
137.06071	14.2
138.06361	0.5
139.03975	0.8
139.07622	0.4
139.11270	6.3
141.09187	0.4
146.08096	0.3
147.04510	2.6
151.11249	0.6
155.07123	13.4
157.05003	0.5
158.85660	0.2
161.04602	0.4
161.06087	1.1
161.09715	0.3
163.04018	0.8
163.11295	0.8
165.09158	3.3
165.10449	0.3
167.07153	0.2
169.12300	0.5
177.01910	5.7
178.02284	0.3
179.10757	0.8
181.12337	0.6
183.10237	25.7
184.10600	1.0
187.07594	0.4
189.05553	0.5
197.11795	16.0
198.12175	0.5
199.09802	0.2
200.23138	0.2
207.02954	0.8
207.10251	2.4
225.11287	29.9
226.11748	1.3
237.11214	0.3
255.12436	1.1
279.12305	0.4
284.03491	0.3
285.03925	0.6
285.13422	0.9
319.10349	0.5
339.07324	0.5
447.09161	0.5
485.20248	100.0
486.20609	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29603	0.5
59.01370	3.6
67.01891	0.9
71.01039	0.5
71.01373	3.5
71.33604	1.2
73.02968	0.6
78.95901	2.7
79.95741	3.0
85.02936	3.1
87.00864	2.5
89.02428	0.8
93.03452	10.7
96.96002	100.0
96.96886	4.3
97.95943	0.7
98.95586	1.4
99.04514	0.9
101.02442	1.5
109.02905	0.9
111.04507	1.2
113.02422	1.0
115.00355	12.8
120.99685	0.5
125.02473	0.7
127.04002	0.6
135.04504	1.2
137.02440	3.0
145.02957	0.6
151.03973	1.4
161.02371	0.6
163.02733	0.6
163.04085	1.2
173.04579	2.8
173.05867	0.6
175.03989	0.6
176.04785	1.2
177.05515	0.9
177.09125	1.4
179.03477	4.7
183.02977	1.2
184.06168	0.7
187.07587	0.7
191.05592	30.1
192.05873	0.6
203.07132	0.9
205.08672	2.0
207.02908	0.6
225.04095	2.0
233.06560	1.2
249.11357	2.1
285.06281	1.0
293.10300	0.7
309.06146	1.8
369.08395	2.1
441.73337	0.6
467.15552	5.4
485.16830	16.0
486.16891	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	485.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
70.11590	0.7
71.49292	0.3
78.99834	0.2
79.95731	2.3
85.02945	0.3
93.03425	0.5
96.96002	100.0
97.95940	0.5
98.20504	0.5
115.00308	0.3
133.91298	0.3
173.04550	0.3
191.05658	2.1
387.16443	1.9
422.27765	0.3
485.16904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.1
60.99302	0.8
66.19924	0.9
69.63293	6.1
80.37563	0.9
83.05024	1.7
87.00849	1.7
93.03448	9.4
95.05015	27.2
96.95982	3.5
98.95564	1.5
111.04490	1.3
112.40690	1.1
119.90019	0.9
121.02948	24.2
122.03244	1.2
123.04508	100.0
124.04810	2.7
136.01640	1.3
137.02492	1.7
139.04045	1.1
144.46793	1.1
157.05037	98.3
158.05359	3.1
166.13266	1.2
173.04512	2.2
175.04039	1.0
191.05634	5.3
203.88992	1.0
249.16788	1.0
285.09714	9.9
309.11975	1.8
385.64990	1.0
397.82977	1.1
420.46277	1.4
467.15549	4.7
485.16342	4.5
486.16943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04787	0.2
59.01382	1.0
69.98236	0.4
69.98597	1.0
71.01367	0.4
71.06875	0.2
72.65144	0.2
78.95908	0.3
79.95734	2.7
82.95404	3.3
85.02949	0.4
87.00874	0.2
89.02441	0.3
91.32812	0.2
93.03445	0.7
96.06773	0.2
96.96000	100.0
97.95981	0.5
98.20506	0.4
101.02437	0.3
129.93976	0.2
142.37576	0.2
161.07066	0.2
170.20958	0.2
173.04498	0.5
189.06625	0.4
191.05594	3.5
198.57320	0.2
205.08673	0.4
284.68030	0.2
287.99136	0.2
303.48004	0.2
387.16531	1.6
388.37018	0.2
467.15634	0.6
485.17050	0.9
492.31186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
59.01376	0.4
60.99304	1.4
61.98818	0.2
65.70355	0.2
66.57110	0.2
68.06487	0.1
69.40191	0.2
70.25983	0.3
71.01366	0.2
79.95733	2.4
87.00873	0.2
88.98803	10.2
89.02435	0.7
93.03458	0.4
96.96004	100.0
97.95924	0.2
98.20656	0.2
113.02431	0.2
121.02914	0.5
125.02442	1.7
125.55174	0.2
149.02466	0.3
171.95387	0.2
175.04016	0.2
191.05614	1.8
207.45900	0.2
259.06030	0.2
287.05600	0.5
387.16815	0.6
453.26874	0.2
467.15317	0.2
485.16455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28649	0.1
58.94590	0.1
59.01373	0.4
61.98828	3.4
69.54936	1.2
71.01376	0.4
77.03960	0.2
79.96587	0.1
81.03466	0.4
83.57334	0.1
85.02940	0.6
87.14709	0.1
89.02433	0.2
89.03966	2.1
93.03446	0.4
95.05036	0.2
96.96013	0.4
101.02417	0.2
104.02689	0.3
105.03460	3.4
106.03751	0.2
107.01365	0.2
108.02196	0.3
109.02951	0.2
113.06049	0.2
117.03457	0.3
118.36395	0.2
119.05011	1.6
121.02875	0.2
125.02418	0.3
133.02945	8.8
134.03268	0.2
137.02414	0.3
145.02948	1.0
147.04546	0.8
147.52284	0.1
148.01631	0.4
149.02403	0.8
151.03920	0.2
161.06073	0.3
163.03983	1.5
176.01106	1.1
177.01907	100.0
178.02234	3.6
183.10239	0.3
272.06061	0.1
285.03998	0.5
291.61575	0.2
299.04443	0.2
339.07153	6.7
339.11273	0.4
340.07306	0.4
447.09317	0.5
449.09741	0.2
485.10837	12.6
485.19702	0.8
486.11133	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86229	0.3
54.56043	0.3
56.01311	0.2
59.90018	0.2
62.01755	0.3
71.38762	0.6
78.03580	0.2
78.95898	7.1
78.96362	0.4
83.49718	0.2
96.04179	0.2
96.96967	0.8
152.99579	14.4
171.00606	1.4
227.03258	2.6
245.04298	1.6
255.23257	100.0
256.23608	5.6
285.03894	0.4
408.79309	0.3
466.90500	0.3
483.27197	34.9
484.27554	2.2
485.65704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61456	0.3
57.88412	0.3
61.55001	0.3
70.20694	1.2
72.33315	0.3
73.02751	0.3
78.95896	17.8
85.04101	0.3
96.96954	1.5
97.51792	0.3
101.28355	0.3
124.46075	0.3
129.54727	0.3
152.99574	29.5
171.00612	1.1
227.03273	4.5
245.04303	0.8
255.23267	100.0
256.23605	5.9
285.04144	0.8
354.71518	0.4
391.22275	1.0
434.14600	0.4
447.09174	0.5
471.62784	0.4
483.27237	65.0
484.27570	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	484.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.2
61.98825	74.4
66.72249	0.9
67.15548	0.9
68.77589	1.0
69.46276	5.7
81.03474	1.5
83.01378	9.9
90.88997	0.9
98.19849	1.2
113.74564	0.8
123.04530	1.4
123.64451	0.9
125.02439	100.0
149.02441	1.6
167.03426	1.2
177.71155	1.0
285.03790	2.5
286.04407	1.3
295.22870	2.5
337.25815	1.1
421.25934	35.2
422.26334	4.0
448.09354	1.5
484.33136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82318	5.0
56.90894	5.4
59.01369	59.0
61.98821	29.3
70.63475	12.2
70.63806	9.7
71.01397	34.9
73.02917	8.8
85.02959	7.0
89.02440	47.9
89.35426	4.9
96.96004	6.2
99.00858	13.2
99.42025	5.3
99.95261	5.2
101.02426	29.1
109.02917	30.9
113.02448	5.8
119.03506	10.7
120.99696	5.2
121.02898	5.5
123.04514	7.0
125.02424	10.9
131.03427	8.9
135.08177	27.4
149.04530	31.4
151.00330	15.6
160.01649	20.0
161.02386	5.9
167.03267	6.3
175.03914	24.7
179.10721	6.5
183.21208	5.4
191.05576	5.9
193.05013	8.6
196.45830	6.7
251.53688	5.5
284.03174	24.4
285.03979	63.8
309.09497	6.9
329.23016	7.6
337.09216	21.1
445.14642	10.6
447.08752	52.1
447.22220	100.0
448.22696	12.3
483.20105	95.4
483.33002	40.5
486.52924	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	483.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	12.8
61.98825	2.1
71.01371	3.4
72.99306	3.5
75.00867	50.7
89.02460	4.9
96.95985	7.1
98.19798	3.1
99.00865	4.4
117.01887	2.6
121.10214	17.4
127.04017	1.9
128.43689	1.6
135.01959	3.5
135.02985	61.3
160.91879	1.9
163.02435	4.4
171.10237	41.8
172.10692	2.8
172.87999	6.3
236.09674	2.1
275.20117	84.5
276.20364	3.9
284.03125	11.8
285.04013	35.0
285.06989	3.4
286.04315	2.2
293.21194	100.0
294.21420	5.2
298.22574	1.8
302.98157	1.9
307.02286	2.9
316.84537	1.9
447.09216	24.3
448.09778	2.2
483.05267	6.8
483.28867	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	483.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14982	0.3
57.03439	1.5
59.01373	4.4
71.01388	2.8
71.63185	0.7
72.99267	0.4
73.02935	1.4
78.95891	2.1
79.95737	2.1
81.03423	0.5
83.05012	2.0
85.02941	1.2
87.00900	0.9
89.02455	1.1
93.03438	1.5
96.96001	100.0
96.96881	3.4
101.02424	2.2
109.02946	1.3
111.04489	2.1
113.02437	0.9
115.00352	0.5
117.03450	1.3
117.36025	0.3
119.05008	1.3
120.99596	0.4
121.02926	1.1
123.04568	2.3
125.02435	0.6
127.35593	0.3
133.02963	1.3
135.04471	0.4
137.02425	1.1
145.02933	5.3
147.04440	0.4
149.02287	0.4
155.03500	1.7
161.04533	1.3
161.05960	0.4
163.03934	1.9
173.18193	0.4
175.02438	1.2
175.06114	0.7
176.01140	1.5
177.01901	24.0
178.02316	0.8
191.03773	0.6
191.05602	2.9
193.01324	0.7
210.17395	0.3
219.07744	0.5
265.07306	0.5
273.03247	0.4
284.03259	1.3
285.03952	0.7
297.04050	1.1
298.04776	0.6
299.05511	1.1
318.02829	0.5
327.05035	6.2
328.05673	0.4
337.11377	0.9
339.07227	6.1
339.11322	0.8
357.06140	1.5
381.08194	1.8
430.71140	0.4
445.15814	0.7
447.09164	6.8
448.09900	0.5
475.67352	0.4
483.15546	4.4
483.27838	0.3
500.53357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08265	1.8
57.03426	2.0
59.01373	20.3
61.98821	22.2
69.71288	11.5
69.71657	3.5
71.01378	19.5
71.05011	3.3
72.99291	2.8
73.02930	4.6
83.01362	5.0
83.05016	2.9
85.02943	6.5
87.00851	1.9
87.04510	1.8
89.02422	6.6
89.45452	1.8
93.03450	3.7
95.01406	2.7
95.05025	2.6
96.95988	6.4
99.00847	2.2
101.02431	6.4
107.04996	1.9
109.02911	2.1
113.02419	4.5
117.03460	4.9
119.03487	3.0
119.05006	11.5
119.08672	5.3
121.02905	5.4
121.06583	12.5
123.04517	13.7
124.01654	15.9
125.02448	13.6
132.05740	2.3
133.02954	2.6
133.10266	1.9
135.08141	3.9
137.02449	4.0
137.06052	2.4
137.09676	8.1
139.03973	8.0
145.02939	22.0
147.04489	7.4
149.06053	3.9
149.09700	2.3
153.05534	8.8
155.10753	13.7
161.04520	2.2
161.06010	2.2
161.09682	18.9
163.03987	4.8
163.07660	8.5
165.05486	9.1
175.04036	3.0
177.09189	2.7
179.10822	9.1
181.08656	17.7
191.05530	8.3
191.07185	1.8
195.10257	5.5
199.09692	4.9
200.72459	1.7
201.49796	1.9
205.08742	2.2
207.10193	3.9
223.09660	11.2
245.06703	1.8
283.11859	4.9
283.47556	1.8
284.03192	7.4
285.04016	15.7
291.06598	2.0
319.10376	6.6
328.41431	1.8
404.21637	2.0
423.16818	11.8
423.21814	3.4
447.09344	12.1
447.15204	2.2
483.18625	100.0
484.18939	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	483.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.8
61.98803	0.7
70.08749	1.8
71.01367	3.5
73.02935	2.4
78.95915	1.1
79.95734	2.6
83.01382	1.6
85.02930	1.5
87.00856	0.8
89.02450	1.2
93.03470	0.8
96.96001	100.0
101.02423	3.0
108.02184	0.4
109.02914	0.7
113.02454	1.7
117.03480	0.9
119.04217	0.8
119.05016	10.9
120.05354	0.7
121.02944	71.8
122.03263	2.1
123.04511	0.4
125.02415	1.0
133.06586	1.7
137.02446	0.6
145.02946	8.0
155.26527	0.4
157.05086	0.6
159.04419	0.8
161.02348	0.5
161.04669	0.5
161.06042	5.2
163.03993	11.6
177.05533	1.7
181.05049	6.1
187.03998	0.7
188.69368	0.4
191.05544	3.2
191.06969	0.4
205.05060	6.0
212.63710	0.4
223.06085	2.0
230.05658	0.5
235.06068	4.2
265.07117	8.1
265.09753	0.5
266.07401	0.5
283.08286	0.8
291.12564	0.4
294.95224	0.4
319.10303	2.9
347.11392	0.4
353.95087	0.4
361.11383	1.3
387.85562	0.5
440.95065	0.4
465.13934	5.1
483.15015	45.1
484.15356	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	483.1517
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
56.16800	0.3
59.01372	4.2
69.59098	2.5
71.01388	3.2
73.02947	1.8
75.00874	0.6
78.95897	1.0
79.01369	0.3
79.95734	2.6
83.01372	0.8
85.02946	1.0
87.00869	0.8
89.02473	1.0
93.03418	0.6
96.96002	100.0
101.02402	1.9
109.02943	0.4
110.56534	0.4
113.02440	1.4
117.03455	1.4
119.05019	8.0
120.24284	0.4
121.02946	52.3
122.03262	1.1
125.02428	0.5
133.06557	1.1
135.04526	0.5
137.02423	0.4
145.02945	6.5
151.03967	0.4
153.01869	0.6
161.06052	4.1
163.03987	9.6
163.39000	0.4
177.05518	0.6
181.05028	5.0
187.03960	0.9
191.05583	2.8
197.67464	0.3
203.30832	0.3
205.05019	3.5
207.79387	0.4
222.49074	0.3
223.06107	1.8
226.54153	0.4
235.06110	3.2
246.09126	0.4
253.07095	0.6
265.07144	5.6
283.08170	0.9
301.03421	0.4
305.87897	0.5
319.10428	1.9
356.47003	0.4
361.11383	0.7
445.05386	0.4
465.13828	4.2
483.15021	35.2
484.15384	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	483.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16800	0.3
59.01372	4.2
69.59098	2.5
71.01388	3.2
73.02947	1.8
75.00874	0.6
78.95897	1.0
79.01369	0.3
79.95734	2.6
83.01372	0.8
85.02946	1.0
87.00869	0.8
89.02473	1.0
93.03418	0.6
96.96002	100.0
101.02402	1.9
109.02943	0.4
110.56534	0.4
113.02440	1.4
117.03455	1.4
119.05019	8.0
120.24284	0.4
121.02946	52.3
122.03262	1.1
125.02428	0.5
133.06557	1.1
135.04526	0.5
137.02423	0.4
145.02945	6.5
151.03967	0.4
153.01869	0.6
161.06052	4.1
163.03987	9.6
163.39000	0.4
177.05518	0.6
181.05028	5.0
187.03960	0.9
191.05583	2.8
197.67464	0.3
203.30832	0.3
205.05019	3.5
207.79387	0.4
222.49074	0.3
223.06107	1.8
226.54153	0.4
235.06110	3.2
246.09126	0.4
253.07095	0.6
265.07144	5.6
283.08170	0.9
301.03421	0.4
305.87897	0.5
319.10428	1.9
356.47003	0.4
361.11383	0.7
445.05386	0.4
465.13828	4.2
483.15021	35.2
484.15384	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	483.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74063	1.3
59.01376	41.5
61.88160	1.3
61.98820	4.6
63.35410	1.3
63.83973	1.3
69.61098	6.7
71.01369	17.8
73.02939	5.7
81.03444	11.0
83.01386	2.9
83.05016	86.0
84.05331	1.2
85.02959	9.3
89.02406	2.0
93.03452	25.4
95.01402	1.6
99.00886	2.7
101.02442	9.6
109.02946	28.9
110.03298	1.5
111.04507	99.7
112.04814	2.0
113.02442	10.4
121.02941	33.8
122.22543	1.3
123.04512	100.0
127.04004	4.2
137.02432	33.4
155.03488	81.7
156.03827	1.8
158.54166	1.4
159.02908	2.4
161.04530	26.9
162.04832	1.6
163.35063	1.6
199.09732	1.4
201.96315	1.5
284.03253	6.1
285.03995	15.4
285.09506	2.1
299.07690	1.5
317.08722	5.9
328.68851	1.4
423.12888	28.8
424.13440	2.6
447.09229	15.2
483.05441	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	481.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75330	0.6
69.88791	0.6
71.32872	1.8
78.95892	35.9
91.93371	0.8
96.96928	3.0
111.38877	0.7
122.64667	0.7
125.88151	0.7
138.70699	0.6
150.98010	0.9
152.99567	56.4
171.00613	17.8
205.95084	0.6
227.03268	3.9
245.04265	100.0
246.04614	2.1
253.21683	64.9
254.22095	3.8
266.47409	0.8
278.64438	0.8
307.79782	0.6
350.90335	0.7
354.12085	0.7
364.51352	0.9
479.46469	0.7
481.25647	57.1
482.26031	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92960	0.8
63.64037	0.8
69.30460	7.2
69.30866	1.8
72.98838	0.9
78.95898	40.6
79.67770	0.8
95.08495	0.9
96.96930	3.9
98.20655	1.3
109.31261	0.8
152.99576	64.6
171.00652	19.3
202.42604	0.8
227.03165	4.3
245.04288	100.0
246.04601	2.0
253.21698	70.1
254.22116	4.2
453.94763	0.9
481.25668	57.7
482.25943	5.0
485.08267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22282	0.8
59.01374	11.9
61.16675	0.9
61.98817	1.1
69.33865	4.9
69.34292	2.5
71.01371	7.3
73.02950	4.5
79.95731	2.2
81.03455	2.4
83.01374	1.4
83.05019	12.6
85.02956	3.9
87.00883	2.6
89.02435	2.1
93.03442	4.7
95.04995	1.0
96.95999	72.2
97.06554	1.0
101.02423	4.5
104.86333	0.8
105.03493	1.2
108.93961	0.8
109.02955	6.2
111.04500	11.7
111.92500	0.9
113.02437	3.8
115.00382	1.9
117.03437	1.1
119.05016	1.7
120.99629	1.0
121.02955	6.4
123.04511	15.0
125.02449	2.7
133.02930	10.2
135.04500	2.5
137.02437	8.8
145.02937	3.7
147.04584	1.3
149.02414	2.9
151.03935	1.3
155.03488	10.7
161.02455	2.2
161.04564	4.2
163.00406	1.5
163.03986	4.0
165.01973	2.1
175.02419	4.1
175.04018	3.0
176.03477	1.3
177.01903	4.5
177.03896	0.9
178.84784	1.0
191.03522	2.6
191.05589	5.1
193.01382	1.1
199.03957	1.5
201.01944	1.4
206.99286	1.0
269.04544	1.1
284.03210	8.0
285.04083	8.8
289.07001	1.1
297.03958	13.6
298.04660	9.3
299.05548	16.9
300.05994	1.0
302.12314	1.7
303.05164	1.0
309.04205	1.1
311.05542	2.7
320.13062	1.5
325.03787	1.1
327.05051	100.0
328.05322	5.1
339.05069	3.7
341.06439	1.0
349.33826	1.1
357.06082	23.8
358.06284	1.6
369.05914	2.4
423.12860	4.5
447.09253	86.4
448.09604	8.2
482.26758	1.8
483.13818	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40430	1.1
57.03430	1.4
59.01367	4.1
61.98815	3.5
62.29644	1.2
69.34569	10.9
71.01369	4.7
73.02937	1.5
74.91229	1.2
85.02924	4.4
89.02412	2.1
92.22940	1.0
93.03448	1.8
95.01400	1.7
96.95988	1.7
101.02406	2.9
104.42076	1.1
108.02173	54.8
109.02950	42.2
113.02431	3.8
123.00856	2.8
123.04491	2.4
125.02435	2.8
135.04541	1.3
137.02417	2.5
139.11253	2.7
145.02934	6.5
151.03905	1.3
152.01146	63.5
153.01942	17.1
157.82356	1.3
163.03993	2.1
175.04108	1.6
178.99716	1.5
183.10275	2.1
191.05614	3.4
194.71364	1.4
315.06882	1.3
349.92529	1.3
421.20636	2.7
481.17102	100.0
482.17325	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	481.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90064	0.4
52.61911	0.4
54.91938	0.4
57.03444	1.0
59.01377	2.6
60.99302	3.8
61.98820	5.1
63.64901	0.5
67.01885	10.6
68.46127	0.5
69.03458	3.0
71.01378	4.5
71.63085	0.6
72.87703	0.4
73.02946	0.5
81.03431	2.5
83.05002	1.3
85.02939	1.2
87.00869	13.7
89.02452	0.6
93.03449	69.6
94.03806	1.2
95.01402	0.5
95.05038	1.1
96.96024	0.9
97.02939	0.5
99.00847	1.4
99.04519	0.6
99.67622	0.4
101.02437	1.4
108.02183	0.8
109.02959	1.1
111.04510	9.5
113.02431	2.0
115.03980	0.6
117.03420	1.1
119.04964	0.7
121.02971	0.5
122.03722	1.0
123.04510	75.1
124.01614	0.7
124.04832	2.0
125.02374	0.6
129.01910	1.9
133.02950	1.1
134.03722	13.9
135.04527	2.4
137.02405	1.9
139.03964	0.9
143.03462	0.8
145.02959	3.2
153.05556	100.0
154.05885	2.5
155.03462	2.3
161.02423	1.2
163.03972	0.9
173.04526	40.8
174.04933	0.7
175.03996	0.6
177.01961	0.8
178.02669	1.4
179.03455	0.8
183.10210	1.1
190.14830	0.5
191.05559	1.0
195.06598	0.8
275.09180	0.7
289.15936	0.4
307.11713	2.0
362.46826	0.5
421.20367	0.9
445.14844	1.4
449.14438	10.3
450.14847	0.7
481.16837	33.0
482.17209	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04749	0.7
50.18536	0.8
57.03445	0.7
57.27713	0.6
59.01373	4.3
61.98825	7.0
71.01379	5.8
72.99301	1.0
73.02943	1.0
75.00867	15.5
85.02959	1.9
89.02456	2.2
93.03453	8.2
95.01408	0.8
96.96004	10.2
97.71657	0.7
98.95584	1.8
99.00865	6.3
101.02435	2.5
107.05058	5.1
109.02926	1.7
113.02435	1.6
117.01938	1.1
117.03443	1.2
119.03531	1.1
119.05028	14.8
120.05367	0.9
121.02945	1.1
121.06539	0.8
123.04559	0.9
125.02436	4.6
129.01915	0.9
133.02965	3.6
135.04520	5.8
136.01660	3.3
137.02415	2.9
139.04053	3.5
145.02895	2.0
147.04506	1.6
149.02455	1.0
149.06055	4.2
150.03050	0.9
151.04051	4.1
153.01921	1.9
157.04993	1.2
161.02380	2.3
163.03993	14.2
164.04306	1.4
165.01900	2.4
165.05557	5.2
175.00349	1.0
177.05501	5.2
178.99927	0.8
181.05054	25.7
182.05417	1.0
185.06029	0.8
189.05626	0.9
191.03696	0.9
191.05479	1.0
193.01413	2.1
195.04482	0.8
197.04469	1.3
197.06128	0.8
201.05524	2.5
201.65483	0.9
212.04710	0.9
213.05548	10.5
219.06639	1.6
221.04568	5.5
223.03906	1.5
224.04773	1.5
233.04651	0.9
241.05043	55.2
242.05399	2.8
256.07391	41.0
257.07718	1.7
259.02402	1.4
271.09729	100.0
272.10120	5.3
283.09799	0.8
301.12000	0.8
319.04419	0.9
319.11792	20.7
320.12170	1.9
325.09341	5.8
343.10168	4.3
345.08069	1.4
355.06216	0.9
383.09830	14.7
384.10257	1.7
385.10294	1.6
392.75256	0.9
421.20578	0.9
425.10760	1.3
443.19171	1.2
463.08740	1.3
481.09531	5.7
481.15173	1.5
500.56580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44582	0.5
57.03449	1.7
59.01369	2.6
60.99297	5.5
61.98827	9.0
65.03950	0.6
67.01885	12.9
69.03445	4.1
69.53662	3.3
71.01369	5.3
72.99264	0.4
81.03468	2.8
83.05018	2.1
85.02937	1.3
87.00866	18.7
88.01208	0.4
93.03449	100.0
94.03793	1.5
95.33806	0.5
97.02889	0.6
97.06564	1.0
99.00858	1.9
99.04527	1.7
101.02435	1.5
108.02135	1.7
109.02960	2.7
110.93105	0.5
111.04514	13.0
113.02425	2.1
115.03967	0.6
121.02979	0.7
123.04490	1.8
125.02465	0.6
129.01952	3.1
133.02921	0.8
134.03735	17.9
135.04485	2.1
137.02390	2.4
139.04053	0.5
143.03487	0.8
145.02922	0.9
152.01118	1.6
153.01952	1.3
153.05518	2.0
155.03516	3.5
161.02354	1.0
161.04576	0.6
163.04056	0.7
173.04524	60.8
174.04892	1.1
177.01881	1.3
178.02696	2.8
179.03444	0.7
191.05505	1.8
225.45064	0.5
231.10356	1.0
307.11853	2.8
333.13474	0.6
421.20728	1.1
449.14481	12.7
450.14389	0.7
463.16290	0.9
481.17059	51.8
482.17386	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	481.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01376	5.5
60.99302	6.0
61.98824	13.5
65.03974	0.6
67.01885	15.2
69.03440	4.6
70.57744	0.9
70.58122	1.1
71.01377	5.0
73.02921	0.9
81.03448	2.7
82.21777	0.5
83.05030	2.2
85.02912	0.9
86.07845	0.5
87.00869	19.7
87.93196	0.5
89.02432	0.9
93.03452	100.0
94.03790	1.8
96.96015	2.8
97.02995	0.6
99.00871	2.3
99.04507	1.9
101.02454	1.3
108.02145	0.5
109.02914	1.7
111.00879	0.5
111.04509	14.5
112.04808	0.6
113.02441	2.1
115.04050	0.6
119.00488	0.5
119.04931	0.5
120.99664	0.6
121.02917	0.7
123.04528	0.7
125.02461	1.3
129.01936	2.6
133.02965	2.8
134.03738	9.0
135.04546	3.4
137.02452	3.2
139.03969	1.2
143.03503	0.7
145.02939	1.4
149.04465	0.8
150.03133	0.5
153.01904	0.6
155.03435	2.9
160.01620	1.4
161.02417	0.9
162.03239	0.6
167.03423	1.3
173.04536	54.4
174.97144	1.6
175.03943	1.5
177.01860	1.6
178.02698	7.8
179.03392	2.0
179.18817	0.4
187.94397	0.5
191.05542	1.7
201.84042	0.5
223.26830	0.5
225.39136	0.5
275.09018	1.8
281.09082	0.6
285.03918	0.6
288.17474	0.6
308.08942	0.7
352.07898	0.8
449.14481	49.8
450.14920	4.5
481.16711	24.8
482.17136	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	481.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
61.98811	2.3
69.54659	1.6
69.55073	0.7
71.01366	2.4
73.19578	0.4
75.00863	5.2
87.86518	0.4
89.02403	1.1
93.03443	1.9
95.01395	0.4
96.95999	8.4
98.20648	0.4
98.95565	0.7
99.00851	1.1
101.02408	0.8
107.05000	1.6
109.02982	0.4
113.02435	0.4
119.05006	3.4
121.02912	0.4
125.02441	1.3
133.02904	1.0
134.03700	0.5
135.04480	1.3
136.01640	1.9
137.02399	1.6
139.03957	1.5
145.02930	0.7
147.04498	0.7
149.02359	0.4
149.06041	1.3
151.04002	2.0
153.01868	0.8
155.03352	0.4
163.03970	4.5
165.01849	0.6
165.05516	1.5
177.05508	1.6
181.05037	8.4
182.05397	0.8
185.06047	1.3
191.05490	0.5
195.04465	1.1
197.06053	0.7
201.05545	0.6
207.81300	0.5
211.04211	0.5
212.04729	0.5
213.05530	9.3
219.06618	0.4
221.04498	1.5
223.03938	1.8
224.04718	0.7
239.03380	0.5
240.04333	0.7
241.05020	57.3
242.05382	3.0
256.07367	41.0
257.07599	2.7
271.09714	100.0
272.10034	6.1
319.11792	23.2
320.12219	1.6
325.09216	1.7
343.10101	1.8
371.06583	0.4
383.09747	4.0
384.10269	0.5
386.50763	0.4
395.10199	0.5
399.08423	0.4
427.81735	0.4
441.07648	0.4
481.09113	0.7
481.15851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33683	0.3
57.03439	0.9
59.01371	5.2
60.99296	5.6
61.98823	15.2
65.03948	0.4
67.01884	15.5
69.03445	4.7
69.44141	1.4
69.44568	1.8
71.01374	5.7
73.02946	0.5
81.03450	3.1
83.01374	0.5
83.05032	2.0
85.02935	1.2
87.00867	19.5
89.02464	1.0
91.86842	0.4
93.03448	100.0
94.03800	1.8
96.95999	2.2
98.95628	0.4
99.00870	1.7
99.04491	1.9
101.02416	1.3
108.02157	0.6
109.02893	1.9
111.04510	14.8
113.02438	1.8
115.03977	0.9
117.03412	0.5
117.05257	0.4
119.04964	0.6
120.99620	0.5
123.04480	0.8
125.02424	0.8
129.01944	2.6
131.03479	0.5
133.02946	2.5
134.03725	9.2
135.04549	3.0
137.02438	3.5
139.03975	0.9
143.03462	1.0
145.02959	2.5
149.04471	0.4
153.01921	0.7
155.03485	3.0
160.01630	1.3
161.02383	1.4
162.03207	0.5
167.03514	0.8
173.04536	47.9
174.04889	0.9
174.97148	0.5
175.03932	1.3
177.01927	2.1
178.01164	0.6
178.02708	9.5
179.03453	1.9
191.05539	1.3
275.09134	1.0
275.11954	0.4
285.04019	0.6
307.08038	0.6
308.08774	0.7
351.07141	1.1
352.07559	1.1
384.10272	0.4
421.27856	0.8
449.14474	48.8
450.14706	3.6
481.16745	22.9
482.17163	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91148	1.0
59.01375	41.7
69.61801	6.6
69.62208	2.2
71.01380	26.8
72.99291	1.3
73.02933	2.2
75.80802	1.2
85.02935	9.2
87.00860	3.3
89.02433	30.4
93.03455	7.9
95.01382	1.9
95.04979	1.2
96.95980	3.2
98.20647	1.9
101.02446	17.2
109.02937	1.5
111.04500	1.2
113.02441	12.3
117.03471	10.5
119.03505	11.7
121.02876	1.3
127.04008	1.1
133.02943	7.8
134.03719	2.5
135.04517	35.8
137.02414	2.9
143.03551	1.4
145.02911	1.4
149.04510	1.2
149.06032	6.7
161.02429	43.5
162.02704	1.4
173.04477	1.4
174.77046	1.2
177.05560	11.3
179.03482	36.0
187.04073	1.6
187.07637	2.2
191.05597	64.2
192.05940	2.2
203.03494	2.1
213.09238	1.2
216.45772	1.0
221.04539	14.0
234.48660	1.0
251.05647	5.5
257.08151	3.3
275.09021	1.2
281.06635	10.2
289.10724	2.0
313.93488	1.3
319.10281	100.0
320.10718	5.7
408.09692	1.6
437.14575	4.5
449.14349	5.5
481.13406	94.9
481.26443	4.6
482.13577	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	481.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	38.3
61.98792	1.1
69.93839	4.4
69.96956	1.2
71.01376	22.7
72.99294	1.6
83.01372	1.3
85.02944	6.3
89.02435	24.9
90.02776	1.0
93.03427	1.6
95.01373	1.2
95.04978	1.3
96.95998	10.5
101.02433	19.2
104.27249	1.0
109.02934	2.3
113.02444	10.2
119.03486	11.2
120.99609	1.5
133.02934	16.0
134.03702	2.9
135.04509	50.1
136.04837	1.5
137.02441	2.6
137.06110	1.0
145.02995	1.3
148.05322	1.9
149.06055	10.1
157.04996	1.6
161.02426	54.1
161.04549	2.3
162.02757	2.7
177.01749	1.0
177.05559	19.4
179.03481	41.0
179.05125	1.9
191.05579	8.3
203.03441	1.1
221.04500	17.6
251.05643	6.9
281.06647	10.8
319.10269	95.1
320.10541	3.0
341.08917	1.3
437.14432	5.8
481.13425	100.0
482.13681	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	481.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
60.80776	0.2
61.98840	0.5
62.95272	0.3
67.01883	0.5
69.03455	0.3
70.93533	0.8
71.01385	3.1
71.64538	0.3
72.99287	0.6
73.02943	0.7
85.02949	7.7
87.00869	2.1
89.02452	2.0
93.03452	4.9
96.95981	0.7
99.04499	0.4
101.02424	2.1
103.37025	0.3
109.02931	0.9
111.00896	0.4
111.04510	1.4
113.02419	1.4
117.03453	0.5
119.03484	1.0
120.99596	0.3
123.04468	0.3
125.02438	0.9
127.03988	2.4
133.02988	0.7
135.04523	3.4
137.02454	0.6
143.03528	0.3
145.02933	1.3
149.06067	0.7
161.02434	3.8
171.03021	0.4
173.04594	2.1
177.05551	1.0
179.03459	2.5
187.03978	1.1
187.07631	2.1
191.05595	100.0
192.05956	2.4
201.05539	0.3
202.06308	2.1
203.06969	0.4
213.09200	0.8
215.07121	1.3
221.04529	0.9
231.10219	1.0
245.11810	0.7
247.09702	0.4
257.08191	1.3
275.09280	0.7
281.06717	0.6
289.10748	2.1
290.10864	0.3
307.11786	0.9
319.10300	7.0
332.26773	0.3
358.00217	0.3
445.24237	0.3
449.14478	4.9
450.14883	0.4
481.13156	6.1
481.26410	4.0
482.14362	0.5
500.89236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24488	1.2
56.02362	1.2
57.03221	1.2
57.03448	13.5
59.01365	3.7
61.98809	1.6
63.02385	1.5
65.00315	4.2
70.04490	5.2
71.01392	1.6
71.14390	1.0
74.99072	1.2
75.00858	4.1
81.03444	3.2
83.01402	6.0
89.02412	1.8
93.03439	2.8
95.01369	4.6
96.96017	2.6
107.01391	10.8
109.02956	6.1
111.00911	1.3
111.04551	1.8
119.04984	3.5
121.02949	2.9
123.00900	9.3
123.04519	1.4
124.01691	6.0
125.02441	100.0
126.02798	1.6
131.07138	3.0
137.02438	12.2
138.03188	2.1
139.04033	10.8
145.02898	1.5
147.00822	1.7
147.04451	1.3
149.02405	2.1
151.00362	39.9
152.01167	8.5
153.01942	19.1
155.03473	3.4
159.04449	2.6
161.02400	1.8
161.89008	1.3
163.00325	2.0
163.03975	3.5
164.01077	1.7
165.01933	23.1
166.02652	3.4
167.03491	22.3
169.01436	1.5
171.04643	1.3
175.00294	4.7
175.06107	1.8
177.01909	3.6
178.99846	28.6
181.01416	2.3
185.06093	1.3
187.03951	2.8
189.01849	1.8
190.02695	3.6
191.03535	12.1
192.00620	2.8
193.01405	90.2
194.01691	3.4
203.03372	1.4
205.04979	3.3
209.04489	3.1
211.03926	1.8
214.02623	1.8
215.03500	5.4
227.03583	2.6
229.04965	2.5
231.03125	1.7
231.06396	1.4
233.04559	7.2
235.02455	1.8
239.03377	3.3
247.06053	1.6
255.02945	13.0
256.03680	2.7
257.04529	7.0
274.04718	2.4
275.05685	7.2
275.10226	1.3
283.02451	33.5
284.02927	1.7
291.05154	1.8
300.02716	3.0
301.03558	11.5
319.04565	4.4
327.07199	2.2
329.08710	3.4
337.05573	2.2
353.08850	1.7
355.06674	35.9
412.19067	1.3
437.10779	3.4
453.10236	5.5
463.08780	66.2
464.09076	6.6
481.09787	72.4
482.10147	6.1
509.55359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0982
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
50.48043	1.1
57.03439	15.9
63.02376	2.9
65.00303	4.3
71.28607	2.1
81.03466	2.1
83.01386	7.9
85.02926	1.4
93.03420	1.6
95.01373	2.9
107.01375	9.2
109.02943	5.4
121.02946	2.5
123.00851	6.2
124.01649	4.7
125.02434	99.7
126.02793	2.0
137.02431	16.6
138.03246	2.3
139.04022	10.3
149.02391	3.6
151.00352	34.7
151.04030	1.2
152.01141	9.3
153.01930	22.2
155.03493	2.7
157.83231	1.2
159.04514	2.8
161.02357	1.4
163.00319	2.0
163.04010	2.2
164.01091	1.7
165.01918	25.4
166.02574	2.0
167.03479	26.2
173.02487	1.9
175.00356	6.0
175.03969	1.5
176.01073	2.2
177.01968	3.5
177.05551	1.6
178.98410	2.5
178.99857	35.5
179.03299	1.3
181.01338	3.7
183.04384	2.1
185.06093	1.3
187.03964	3.4
189.01997	2.8
190.02699	3.2
191.03496	13.4
192.00652	4.0
193.01390	100.0
194.01740	3.4
197.02289	1.3
203.03413	1.5
204.04243	1.7
205.05048	4.1
207.02876	1.5
211.03940	3.2
213.05540	1.2
215.03409	5.8
227.03404	1.8
228.04282	1.4
229.05025	4.8
231.03050	1.4
231.06549	2.0
232.03716	3.3
233.04562	10.4
235.02438	1.8
235.81029	1.4
239.03537	3.8
246.05310	1.6
255.02959	15.4
256.03683	3.6
257.04431	4.4
273.04022	1.9
275.05554	10.2
283.02451	47.0
284.02588	2.5
300.02780	3.5
301.03485	12.7
319.04608	4.7
327.07343	3.3
329.08710	1.7
337.05408	2.8
353.08521	1.6
355.06671	41.5
356.06949	2.3
395.64352	1.2
407.25235	1.2
437.10596	3.8
453.10297	7.4
463.08780	75.5
464.09204	5.5
481.09827	80.0
482.10065	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	481.0982
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
51.00504	1.5
57.01728	1.5
57.03434	6.7
59.01372	7.4
61.98829	11.2
65.00320	5.2
71.01364	5.6
71.61590	2.4
75.00859	3.8
81.03460	5.0
83.01373	8.1
85.02909	2.3
89.02444	4.2
93.03425	3.5
95.01389	4.7
95.05010	3.8
96.96010	12.2
97.02926	3.2
98.95542	1.8
103.01854	1.5
107.01382	7.9
107.05024	3.8
109.02937	12.9
111.04535	4.7
113.02471	3.2
115.13432	1.6
119.05052	2.2
121.02955	3.0
123.00871	2.6
123.04529	6.6
125.02438	100.0
125.23521	1.5
126.02709	1.6
133.02959	3.6
135.04497	6.5
136.01614	2.2
137.02432	23.7
139.04001	7.1
147.00880	5.2
147.29285	1.9
149.02441	12.1
149.06062	1.8
151.00366	41.6
151.04007	12.0
152.00975	1.7
153.01930	21.3
157.99760	1.7
161.02435	4.5
163.00362	3.7
163.03981	4.4
164.01126	4.0
165.01936	12.1
165.05598	2.5
166.02599	1.7
167.03525	13.8
169.01515	1.8
173.06078	1.5
173.40024	1.8
175.00362	39.8
177.01892	16.0
178.99863	15.9
179.03470	13.1
181.01401	11.8
181.05029	6.1
187.04030	2.3
191.03496	9.3
191.05251	1.4
191.05534	1.4
193.01395	83.3
194.01732	4.3
195.03050	3.6
197.04524	85.5
197.35248	1.6
198.04762	1.7
205.01439	2.8
209.04475	7.2
213.05492	3.1
215.03453	5.7
229.01421	2.0
233.04572	2.8
239.03482	2.2
241.05051	9.9
245.08035	1.8
256.07361	5.9
257.04507	4.8
269.06641	3.2
271.09802	14.5
287.07648	5.3
289.07135	16.9
291.05078	3.2
299.05466	2.1
301.03494	17.9
313.05576	3.6
319.04605	38.5
319.11731	3.1
320.04764	3.5
329.06586	8.8
341.05118	17.2
343.06509	4.2
382.41748	1.6
419.09515	1.7
445.13434	4.4
463.08722	12.9
481.09186	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	16.3
59.01378	9.9
61.98819	3.7
65.00304	6.1
67.14890	1.9
69.47203	4.9
69.47621	10.4
71.01354	6.6
74.99097	2.9
75.00861	2.4
78.22895	1.8
78.91885	21.4
83.01383	9.3
85.02924	3.7
89.02425	8.0
95.01311	3.7
96.95989	4.8
97.03033	2.1
98.20618	3.6
101.02428	3.8
107.01371	7.7
109.02920	7.3
113.02406	3.2
117.03423	1.8
119.04994	4.3
121.02908	5.0
123.00862	6.6
123.04451	1.9
124.01623	6.2
125.02439	100.0
126.02781	3.3
136.99130	1.9
137.02470	15.9
139.03976	7.8
145.02876	4.4
149.02443	4.8
150.03180	2.9
151.00352	33.0
152.01027	6.1
153.01936	26.1
154.05046	4.0
155.03430	2.6
159.04442	2.5
161.02344	2.1
162.03185	2.2
163.00273	3.2
163.03960	4.1
164.07031	4.1
165.01939	23.1
166.02682	2.2
167.03459	26.3
175.00305	4.7
175.03981	1.9
177.01875	6.5
177.05434	2.4
178.99879	32.2
179.05553	1.9
181.01334	3.2
185.02440	2.3
187.03981	2.7
189.01920	3.2
190.02716	5.4
191.03447	14.1
191.05554	10.1
193.01393	91.4
194.01756	4.6
203.03520	2.4
205.04962	5.2
209.04588	4.0
211.03996	2.8
213.01987	2.0
215.03410	5.4
227.03349	3.5
231.02974	2.9
231.06567	7.1
232.03664	3.3
233.04498	8.3
239.03458	3.9
255.03014	13.3
256.03714	3.5
257.04584	4.7
271.06042	2.5
275.05597	12.5
283.02457	40.6
291.05103	3.6
300.02618	4.0
301.03680	9.4
319.04434	5.7
319.10770	3.4
326.12640	3.0
327.07251	4.5
329.08667	2.5
337.05600	2.1
355.06650	40.0
437.10785	4.5
453.10187	6.3
463.08792	72.9
463.15915	2.6
464.09079	7.4
481.09717	74.7
481.16708	3.2
481.30121	5.6
482.10114	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	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07220	0.2
50.66593	0.2
57.00549	0.3
58.29523	0.2
59.01367	0.4
61.98822	100.0
69.39923	1.4
71.01381	0.2
80.84810	0.2
86.54914	0.2
93.03451	0.2
100.55293	0.2
109.02951	0.6
146.65968	0.2
146.88742	0.2
173.04506	0.2
241.92958	0.2
322.32928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
61.98824	100.0
69.25835	0.5
69.26254	2.1
71.01381	0.3
73.44069	0.2
85.02991	0.2
88.35124	0.2
96.96020	0.3
98.20578	0.4
103.25787	0.2
114.59567	0.2
121.02920	0.3
137.66373	0.2
161.02480	0.3
188.70284	0.2
188.98538	0.2
191.05626	0.5
419.26053	0.2
420.25739	0.3
481.16989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37271	0.1
53.75166	0.1
57.65770	0.1
59.01386	0.1
61.98834	0.1
62.96402	0.1
65.77034	0.1
71.63120	0.1
78.95896	18.7
96.96921	0.3
122.98547	0.1
134.98535	0.2
140.11687	0.1
152.99577	2.6
168.04300	3.1
171.00616	0.4
194.05835	0.2
211.13417	0.1
224.06898	7.9
225.07225	0.2
228.28795	0.1
237.22182	0.2
242.07959	2.0
245.04280	1.3
253.21683	0.9
255.23259	100.0
256.23593	5.4
283.25482	0.2
373.62857	0.1
391.22427	0.1
480.30872	30.2
481.25406	0.7
481.31299	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25239	1.4
52.38892	1.5
54.34760	1.8
54.45194	2.0
56.58547	1.4
59.01373	9.5
61.98819	4.5
71.01396	3.8
71.62636	2.1
85.02944	2.3
93.03476	4.2
95.01400	2.6
96.95990	4.6
97.02939	6.9
101.02448	3.2
101.49194	1.8
103.00802	1.9
105.03421	2.2
107.05015	3.9
109.02943	5.0
111.04502	3.1
113.02457	1.6
119.05016	5.9
121.02973	6.3
123.04507	7.5
125.02440	6.9
131.04990	2.4
133.02937	7.7
135.04533	10.8
137.02420	13.1
137.06039	2.6
139.03973	11.6
145.02960	5.9
147.04515	6.4
149.02441	17.4
149.06041	2.1
151.03995	8.9
153.05576	8.7
159.04417	1.9
161.02397	5.7
163.03993	100.0
164.04324	2.8
165.01917	2.9
165.05536	7.6
167.03488	5.2
175.03946	11.6
177.01904	2.0
177.05545	2.3
178.02664	15.2
179.03494	3.0
181.05051	28.1
187.03925	2.7
191.03508	2.2
193.05043	62.5
195.13910	11.6
205.05051	13.1
209.04504	2.4
217.00345	3.2
217.05078	4.4
223.06053	4.5
235.06029	5.1
247.06175	4.5
265.06943	3.3
283.08185	53.2
284.08612	2.8
397.67380	1.6
430.74741	2.0
479.22189	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2281
Annotation	Ineupatolide
Peak:m/z	Relative Intensity
50.24284	0.2
55.01867	0.2
57.03444	0.3
59.01374	2.0
61.98823	5.4
71.01379	2.0
71.63660	0.3
73.02940	0.7
83.01390	0.3
85.02947	1.4
87.00881	0.2
89.02437	0.5
89.03931	0.2
93.09552	0.2
96.96000	0.3
99.00884	0.3
101.02450	1.3
109.02943	0.3
113.02433	0.7
117.03456	25.2
118.03779	0.9
119.05014	6.0
137.02530	0.4
139.50032	0.2
145.02939	100.0
146.03271	3.6
147.04527	0.5
163.03983	6.5
164.04288	0.3
205.05000	0.3
242.06021	0.2
257.08197	0.4
357.03842	0.2
383.05618	0.2
410.77966	0.2
419.26337	0.4
443.11041	0.2
479.22803	60.0
480.23181	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55140	0.4
55.01862	0.4
58.80973	0.3
59.01383	2.7
61.98799	1.5
64.96746	0.3
69.33302	3.5
71.01365	1.6
73.02943	0.7
85.02945	1.5
87.00869	0.7
89.02410	0.4
96.95994	0.8
101.02439	1.4
103.04002	0.7
113.02425	0.9
117.03458	27.6
118.03809	0.9
119.04218	0.6
119.05017	7.1
145.02940	100.0
146.03246	3.8
147.03481	0.4
147.04524	0.8
163.03983	6.8
163.05197	0.6
208.05136	0.4
267.19635	1.1
283.06088	0.4
293.17706	0.6
311.18607	1.1
479.22833	61.2
480.23077	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	479.2281
Annotation	Ineupatolide
Peak:m/z	Relative Intensity
59.01385	2.9
61.98818	1.0
71.01373	1.9
71.63963	0.5
73.02935	0.7
78.74811	0.4
83.01362	1.0
85.02943	1.3
89.02444	0.5
96.95999	1.5
99.00840	0.5
101.02423	1.8
101.32056	0.4
103.03998	0.5
113.02447	0.7
117.03455	25.0
118.03773	1.2
119.05008	6.6
121.02937	0.5
125.02457	0.6
137.02419	0.5
145.02936	100.0
146.03299	4.3
147.04536	0.8
163.04002	7.0
165.09242	0.4
212.69963	0.4
230.82552	0.4
231.60049	0.4
267.19608	1.6
311.18793	0.5
316.02469	0.4
324.12589	0.4
479.22842	62.5
480.23206	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	479.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.5
61.01828	1.3
61.39415	1.2
61.98822	100.0
64.01193	1.3
69.79359	6.2
71.01379	8.3
72.99265	1.3
73.02950	3.2
76.15028	1.4
83.01374	1.7
85.02940	3.8
89.02444	3.1
93.91584	1.2
96.95985	3.8
101.02431	6.1
102.02763	1.5
108.35730	1.4
109.02969	2.7
113.02436	2.9
117.03471	3.3
119.03468	2.5
119.05027	1.5
123.04522	1.8
125.02441	1.6
135.17839	1.4
137.02475	2.7
145.02927	14.7
146.03293	1.5
151.07655	1.5
161.04480	3.4
163.19885	1.5
175.03973	2.3
177.01849	2.9
193.05057	1.6
212.97606	1.2
217.01392	2.3
323.05396	1.4
419.25543	9.6
446.24887	1.4
479.18695	10.0
480.19882	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	479.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03447	8.4
58.00580	2.5
59.01372	32.9
61.80583	0.5
61.98830	4.6
69.03451	10.1
69.44664	4.0
71.01377	28.0
71.05021	2.3
71.05866	0.5
72.99313	4.8
73.02939	5.8
75.00860	2.0
81.03432	1.2
81.07082	0.8
83.01369	3.5
83.05027	1.7
85.02948	8.9
86.03738	0.6
87.00865	1.9
87.04494	2.0
87.81472	0.7
88.98821	0.8
89.02436	25.2
93.03451	1.8
93.07081	2.2
95.01388	2.3
95.04995	1.4
96.47979	0.5
96.95984	0.6
97.02937	2.0
97.06557	1.0
98.93136	0.5
99.00865	1.0
99.04540	0.6
99.08186	0.9
99.53416	0.6
101.02433	16.3
105.03438	1.0
107.05038	0.9
108.02169	1.0
109.02920	1.8
109.06606	2.7
110.21198	0.6
111.04523	5.2
111.08141	2.9
113.02440	12.5
113.06068	0.8
115.03983	1.3
117.03477	1.3
117.34969	0.5
119.03500	8.5
119.04955	2.8
123.04524	1.4
123.08116	1.7
124.01628	1.3
125.02434	21.0
125.06049	1.6
127.07642	11.1
131.03462	2.1
133.02997	0.9
133.05074	6.4
133.10204	0.8
135.04561	0.7
137.02426	14.0
137.03465	0.8
137.06073	7.1
138.03282	0.6
139.04004	0.7
139.11279	26.0
143.03497	2.6
145.02946	4.6
149.02486	0.7
149.04527	1.5
149.06197	0.6
150.03242	2.6
151.00374	1.4
151.04131	3.4
151.06105	17.2
151.11223	0.6
152.01147	2.2
155.07149	7.3
159.86754	0.6
160.01596	1.0
161.02455	6.0
161.04538	5.8
161.05923	1.3
163.04001	3.3
164.01065	0.7
165.01898	0.9
165.05551	1.1
165.09161	2.1
171.10205	1.0
175.03955	0.8
175.06097	3.6
177.05524	1.3
178.99786	1.2
179.03467	0.6
179.03781	0.7
179.05571	11.8
179.07123	0.7
179.10878	0.9
180.05792	0.7
181.12373	0.6
183.10237	100.0
184.10588	4.3
191.03459	0.8
191.05507	0.7
193.06972	0.7
195.06602	0.9
197.11804	21.7
198.12186	1.1
205.05070	1.7
207.10260	1.3
214.02681	1.1
217.07166	5.1
225.11288	22.0
226.11671	1.0
227.03418	0.6
235.06079	1.2
242.02199	1.6
243.02907	0.8
255.12387	2.5
259.02612	1.2
265.07111	2.7
270.01700	1.6
271.02448	7.2
285.13278	3.1
287.01956	3.8
287.05573	3.1
288.03134	0.7
288.06311	3.9
289.07016	2.1
295.10306	22.7
296.10611	1.2
313.11356	29.0
314.11694	1.1
315.07147	1.0
316.02191	20.1
317.02820	3.2
317.06662	3.3
317.19373	0.6
325.09070	0.9
345.15546	0.7
347.17099	0.9
367.10297	0.8
381.11676	0.9
389.13730	1.0
427.47623	0.6
433.15582	0.7
441.13992	0.7
443.15622	3.3
461.07477	0.9
479.08136	17.3
479.25876	7.7
480.08731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98827	14.2
71.01389	2.6
71.23055	1.1
73.02956	0.8
73.56020	0.5
77.49205	0.5
79.95739	0.8
83.01445	0.6
85.02975	1.8
89.02468	1.2
91.01888	0.7
93.03450	2.6
95.01411	0.6
96.07021	0.5
96.96004	16.1
101.02479	1.9
107.05067	2.1
108.02160	7.0
108.02753	0.6
109.02963	1.9
113.02448	1.3
117.03456	8.2
118.03761	1.0
119.05040	3.0
120.99703	1.2
121.02950	9.8
123.04517	7.6
125.02488	2.0
135.00966	2.2
137.02498	0.7
145.02940	34.5
145.05112	1.3
146.03273	4.4
147.03590	1.1
151.04066	2.2
161.04642	1.3
163.04016	3.3
167.03487	1.2
178.99927	0.5
213.15007	1.2
223.08409	0.7
224.05014	0.8
225.05534	5.7
257.08157	43.8
258.08734	2.0
299.13513	1.0
316.02441	0.6
355.72031	0.6
479.23148	19.6
479.33194	0.8
480.24042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78603	1.1
58.00580	1.4
59.01376	39.0
59.42042	1.1
61.98818	6.6
63.33592	1.1
66.43076	1.2
67.83538	1.1
68.55751	1.1
71.01380	20.3
71.95364	1.1
72.97507	1.4
72.99308	3.4
73.02946	5.0
74.99097	13.2
75.58497	1.2
80.77839	1.0
83.01383	3.7
85.02946	8.5
87.00859	3.0
89.02442	16.5
94.06658	1.7
95.01393	1.5
96.96003	4.9
98.20660	2.4
99.00877	2.7
101.02437	13.7
109.02946	1.8
111.00887	1.8
111.04551	1.1
113.02436	9.1
115.00359	2.5
119.03481	7.6
124.01619	1.4
124.07671	1.9
125.02438	3.3
136.99117	14.7
137.02403	1.7
139.00493	1.2
143.03500	1.6
148.04047	5.3
150.05675	2.1
159.21042	1.5
161.04549	3.3
175.02466	5.7
175.03825	1.4
177.01831	1.4
179.05559	4.0
183.06584	3.2
187.60339	1.5
231.02905	1.5
255.11514	2.3
260.08218	1.4
273.04071	5.1
273.12485	4.1
287.09265	3.8
303.04749	1.5
316.10336	1.5
317.02649	1.4
317.06815	1.3
317.11172	6.9
386.31970	1.4
443.19162	100.0
444.19446	5.5
449.66849	1.3
464.81625	1.3
479.08331	4.4
479.16992	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1553
Annotation	Paeoniflorin
Peak:m/z	Relative Intensity
52.40621	0.8
54.04712	1.0
59.01372	5.7
61.98822	3.8
65.00302	1.2
67.01883	2.0
71.01380	3.6
71.62093	1.7
72.99300	1.4
73.02957	1.4
74.99085	2.2
75.00867	2.4
75.48476	0.8
83.01398	2.5
85.02943	1.8
87.00880	1.8
88.98795	4.5
89.02456	2.1
90.99200	0.9
92.46155	1.0
95.01382	3.5
96.95989	2.7
101.02423	1.9
107.01407	1.3
108.02164	26.0
109.02972	5.7
111.00867	5.4
113.02431	2.0
117.03441	1.1
120.99633	2.2
121.02959	4.0
123.00882	31.5
123.04512	19.7
124.01674	17.1
125.02414	4.0
134.90645	1.0
136.01643	1.3
136.99103	2.8
137.02431	1.4
138.50514	1.0
139.00403	1.3
145.02922	4.7
147.00883	4.9
148.01649	2.8
149.02429	1.9
151.00311	4.3
151.03995	2.4
152.01129	3.3
153.01944	1.8
153.05531	2.3
161.02437	1.9
161.04469	1.1
162.03238	3.6
163.00385	1.2
163.04021	10.2
165.01869	1.2
175.02426	1.1
177.01910	1.2
178.99799	2.1
194.10814	1.0
229.04915	1.0
243.06339	0.9
253.09099	1.0
256.03778	1.1
257.04510	3.5
271.06085	3.5
272.06876	21.5
273.07443	2.0
286.08359	1.3
287.09229	82.6
288.09631	4.7
289.07123	3.9
303.04263	1.6
317.02805	3.2
317.10251	100.0
318.10583	6.1
359.20816	1.2
389.09210	1.8
443.15628	4.9
449.14435	2.4
461.10571	1.2
479.07813	3.2
479.16229	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
61.98808	1.1
63.02376	2.0
65.00319	12.5
74.49996	0.7
80.02659	1.9
83.01372	6.5
88.42519	0.8
95.01366	1.5
98.20721	0.7
107.01381	20.3
108.02168	9.7
109.02940	1.1
121.02944	1.5
123.00844	1.5
124.01636	2.1
125.02444	7.3
133.02930	2.3
134.03723	10.1
135.04514	55.9
136.01625	9.0
136.04817	2.0
143.04987	1.6
147.04492	2.4
147.27602	0.9
151.00356	66.1
152.00743	1.2
155.04961	2.7
158.03706	1.6
159.04477	2.8
160.01628	2.1
161.02405	4.5
163.04004	2.5
163.43616	0.7
164.01137	17.0
165.01865	3.1
171.04477	3.0
173.02444	1.5
173.06053	1.1
174.03201	9.5
175.03969	4.3
177.01932	2.4
178.06310	6.3
179.07092	1.5
185.02431	1.0
185.06081	2.3
187.03961	2.6
188.04788	1.8
189.05522	1.7
193.08698	7.0
195.04399	1.7
196.00124	15.7
197.06100	1.6
198.03166	1.9
198.44615	0.8
199.03989	21.5
200.04610	1.9
201.01958	9.3
201.05321	0.7
212.04729	0.9
213.05472	2.5
215.03499	5.1
216.04315	1.7
217.04938	3.7
229.04930	1.2
239.03503	1.5
240.04251	2.5
241.05008	9.1
242.05830	4.4
242.95279	0.8
243.06514	2.2
255.06587	2.6
257.04504	6.4
258.05249	3.3
269.04645	1.2
285.04007	49.4
286.04767	20.1
287.05505	6.0
290.92880	0.8
299.05527	3.4
301.07117	2.6
326.02560	0.9
353.10150	1.1
430.54813	0.9
444.67355	0.8
479.13409	100.0
480.13766	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	479.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67421	0.7
57.03444	0.7
59.01369	1.3
61.98820	0.7
63.02388	2.5
65.00317	12.6
71.28546	1.5
80.02664	1.9
83.01377	7.3
93.03485	0.8
96.95989	1.0
107.01379	21.9
107.02110	1.1
108.02158	7.7
109.02963	1.5
123.00851	1.6
124.01617	1.2
125.02433	8.1
133.02969	1.9
134.03731	8.9
135.04512	58.1
136.01637	7.0
136.04852	2.3
145.02885	0.9
147.04504	1.8
151.00352	72.0
152.00699	2.5
155.04984	2.6
158.65862	0.6
159.04478	2.2
160.01657	1.7
161.02487	3.6
161.06004	0.7
163.03967	4.4
164.01143	16.1
165.01881	3.2
167.04883	0.7
169.01402	1.4
171.04477	1.7
173.02373	2.0
174.03217	6.7
175.04024	3.9
177.01900	2.8
178.06346	6.2
179.07144	1.2
185.02451	1.0
185.06099	1.2
187.03944	2.6
189.05585	1.4
193.08713	6.5
196.00121	16.5
197.00517	0.7
197.06067	1.4
198.03186	2.4
199.03981	19.9
200.04567	1.9
201.01915	9.1
201.05545	1.9
211.03952	0.9
212.99326	0.6
213.05492	2.2
214.93196	0.6
215.03549	5.2
216.04201	1.9
217.05054	3.2
227.03537	0.8
229.05002	0.9
240.04247	1.9
241.05009	7.6
242.05789	4.6
243.02934	1.2
243.06528	2.6
255.06642	1.7
257.04517	8.1
258.05203	2.1
267.02869	1.2
285.03995	50.9
286.04709	20.1
287.05487	7.4
299.05560	3.0
300.06180	1.2
301.07074	1.6
353.09940	0.8
479.13403	100.0
480.13666	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	479.0826
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
64.49334	0.6
71.19333	1.6
85.94917	0.6
87.97301	0.6
89.89960	0.7
94.93104	0.7
96.26610	0.6
107.01379	1.6
109.02946	1.0
113.07569	0.7
115.46422	0.6
117.03449	0.8
124.01641	2.5
125.02389	1.0
136.01674	0.8
137.02402	3.0
145.02902	4.6
150.03209	0.8
151.00356	5.8
152.01126	0.8
161.02396	0.7
163.00449	1.4
163.03989	0.9
164.01157	1.4
178.99834	6.3
203.03529	1.1
214.02705	6.0
215.03412	1.1
220.65158	0.7
226.80449	0.6
227.03398	0.7
231.03175	0.7
242.02151	6.4
243.02881	2.5
259.02435	5.6
270.01645	7.3
271.02444	36.4
272.02661	1.8
287.01950	22.3
288.02545	2.4
316.02197	100.0
317.02847	18.9
443.15558	3.8
479.08267	78.0
480.08633	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	479.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	19.9
61.98824	51.6
69.89151	10.5
71.01380	23.9
72.99309	5.7
73.02936	3.7
75.00864	49.6
75.84496	2.1
83.01384	4.5
85.02932	4.2
87.00876	4.6
89.02419	10.9
93.03455	27.1
94.03796	2.1
96.96004	50.2
96.96958	2.1
98.95590	5.0
99.00866	20.9
101.02445	7.4
107.05038	17.3
108.02149	1.9
109.02921	2.2
113.02451	4.9
115.00351	4.4
116.92869	2.3
117.01897	3.8
117.03456	3.2
119.03515	1.8
119.05009	46.2
120.05349	2.1
120.99626	2.0
121.06569	4.3
123.04533	2.3
125.02435	7.3
129.01915	2.6
133.02914	10.7
135.04515	12.9
137.02435	10.9
145.02965	6.9
147.03020	2.4
147.04483	6.6
149.06070	12.8
152.01254	2.3
153.01816	2.6
163.03975	42.7
165.05556	17.2
175.02499	5.8
177.01971	2.2
177.05568	22.6
181.05043	100.0
182.05368	4.1
191.07068	3.1
195.06523	1.9
201.05583	11.1
219.06624	3.8
221.04556	22.6
229.05301	5.3
234.99135	2.3
273.04236	3.2
313.09033	2.7
317.07126	2.3
317.10574	2.6
325.09222	23.1
329.05011	2.1
343.10229	21.1
381.11594	2.9
383.09705	58.5
384.10162	2.7
395.09677	4.2
399.13101	3.7
419.19354	4.1
425.10873	3.6
443.12338	2.7
443.19168	12.1
479.18024	4.3
480.17181	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	479.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04741	0.8
55.82667	0.8
57.03454	4.6
59.01376	14.2
60.10546	0.9
61.98817	7.0
69.39192	0.8
69.98083	3.8
71.01375	18.1
72.99301	3.2
73.02933	1.5
75.00861	6.6
76.24767	0.8
83.01379	1.6
85.02962	2.0
87.00867	32.2
89.02442	4.2
93.03439	2.2
96.96009	20.8
96.96951	1.3
98.20572	1.2
99.00878	7.3
101.02431	2.2
103.00328	1.1
107.05060	1.2
109.02940	4.3
111.04514	0.9
112.98797	1.3
113.02431	2.8
115.00367	51.9
119.05006	2.7
120.99653	2.3
121.02929	2.5
123.00869	1.3
123.04485	1.3
125.02438	52.7
126.02784	1.5
131.03474	1.5
133.02924	1.9
135.00873	1.0
135.02991	5.5
135.04509	1.1
137.02455	7.6
139.03983	3.6
142.99847	2.6
148.01689	2.3
149.02437	3.2
151.00342	2.2
151.04060	1.3
159.03046	4.4
161.02483	1.5
163.00339	4.0
163.03973	3.1
164.01135	1.7
165.01932	6.1
165.05609	1.1
167.03462	2.6
173.00847	1.1
174.01706	2.5
175.02469	100.0
176.02805	1.8
177.01912	32.3
177.03479	1.6
177.05437	1.4
178.02379	1.7
179.03436	3.4
181.05074	4.3
189.01923	1.2
191.03546	3.0
193.01245	2.0
195.02864	1.1
200.57077	0.9
201.05542	1.2
202.99858	6.7
203.03468	1.3
205.01410	1.4
215.03497	1.0
217.01411	9.1
219.02946	1.1
219.06635	1.6
221.04483	2.0
234.98984	1.0
235.02499	1.0
243.02371	0.9
261.03726	1.1
287.05551	1.5
297.03967	0.9
298.31430	0.9
299.05493	1.9
303.05072	7.0
305.06616	12.6
323.04086	6.1
343.04581	13.4
344.04938	1.3
361.05820	4.4
371.03922	5.2
383.09818	1.4
443.19333	1.7
479.07843	1.3
482.40906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.6
60.99303	0.6
61.98827	100.0
69.01515	0.5
69.03456	0.9
71.01368	3.6
72.99306	1.0
73.02937	0.8
85.02968	1.9
88.98805	4.8
89.02437	2.4
90.02767	0.6
95.01402	1.6
96.96011	0.9
97.02952	0.7
101.02453	1.9
107.01383	0.6
108.02196	0.6
109.02953	1.0
111.04528	1.1
113.02441	1.4
117.03466	0.6
119.03528	0.4
119.05029	2.0
120.05330	1.0
120.99699	0.6
123.00871	6.5
123.04541	1.1
124.01799	4.1
124.04865	0.5
125.02483	12.1
126.02776	4.4
137.02470	0.8
145.02940	3.5
146.03304	1.6
146.08232	1.2
149.04553	0.6
149.99562	6.3
150.99892	2.4
151.06163	0.5
161.02477	0.7
161.04582	0.7
161.06081	0.7
163.04024	1.8
164.04323	0.8
167.03474	1.4
168.00626	15.4
168.03795	0.9
169.00977	8.4
179.03503	0.6
179.05606	0.6
183.10207	3.6
191.03679	0.5
191.05518	0.7
197.11716	1.0
200.48508	0.4
225.11301	0.8
265.07166	0.8
266.07660	0.9
271.02612	1.5
287.02097	1.1
295.10443	0.7
301.03656	1.6
302.03760	2.2
313.05753	1.6
313.11459	1.1
313.59378	0.4
314.05969	3.2
315.06888	0.6
316.02170	3.6
317.03040	0.6
331.06671	23.0
332.07013	31.5
333.07022	2.1
381.12332	0.7
382.12323	0.9
418.17032	0.8
478.11108	4.1
478.20355	0.6
479.07736	3.1
479.25244	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	478.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05969	0.2
59.01378	0.2
60.14186	0.2
61.98823	100.0
68.91091	0.2
69.76445	0.9
101.02451	0.2
117.03484	0.3
145.02930	2.0
146.03299	0.4
184.42041	0.2
204.86784	0.2
320.09283	0.2
477.21231	0.2
478.21640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69818	0.2
52.23611	0.3
56.75063	0.3
59.01377	2.7
61.98825	100.0
69.36870	2.2
71.01382	0.9
73.73220	0.3
75.00872	0.3
85.02940	0.5
88.23549	0.3
89.02431	0.4
101.02432	0.7
113.02462	0.5
117.03466	3.2
118.03786	0.8
119.03550	0.3
119.05011	1.0
120.05369	0.4
127.33022	0.3
130.28992	0.3
145.02946	12.3
146.03276	3.9
151.04004	0.8
155.13379	0.3
161.04520	0.4
163.04037	1.6
168.92841	0.3
311.16431	0.3
415.13998	1.3
417.24759	0.8
418.25623	0.5
477.21106	1.6
478.21677	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	477.358
Annotation	Clathriol
Peak:m/z	Relative Intensity
53.49387	0.7
56.07631	0.7
59.01377	8.8
69.26487	1.7
69.26885	6.9
87.89162	0.8
89.15235	0.7
96.95993	0.9
162.79462	0.8
226.26759	0.8
318.03149	0.8
373.34885	5.6
380.11414	0.8
389.34262	2.2
397.34601	1.9
399.32599	1.1
415.35745	34.5
415.41342	1.8
416.35953	3.8
417.33652	39.9
418.34021	4.2
445.58191	1.0
458.24503	0.9
459.34860	2.2
477.35809	100.0
478.01230	0.8
478.36197	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	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42327	0.5
54.92598	0.5
55.01878	3.9
57.03443	2.7
58.00600	0.6
59.01377	28.1
61.98827	2.6
62.80616	0.5
68.99783	0.5
69.03470	0.5
70.77223	1.1
71.01381	36.7
72.99306	1.0
73.02941	11.4
75.00885	1.0
83.01371	6.4
83.94159	0.5
85.02951	16.1
87.00874	1.7
89.02441	11.0
95.01386	3.8
97.02956	1.6
99.00882	4.5
101.02436	37.8
108.02245	0.7
109.02953	2.0
113.02443	15.7
113.39710	0.5
117.03460	30.8
118.03822	1.4
119.03529	4.0
119.05032	7.3
125.02427	0.6
143.03528	1.4
145.02943	100.0
146.03285	3.4
159.02982	2.3
161.04544	18.0
161.05907	0.6
162.04803	0.5
163.03986	6.2
179.05589	2.1
196.75433	0.6
206.99806	0.6
257.81589	0.6
315.18103	16.4
468.60129	0.6
477.21631	68.2
478.21799	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	477.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03442	2.1
59.01374	100.0
60.01723	2.9
61.98826	15.9
69.53151	10.4
71.01376	33.7
72.99319	2.1
73.02934	8.8
81.03450	2.4
83.01373	4.4
85.02944	12.7
87.00874	1.8
87.04494	1.4
89.02431	13.1
93.03474	2.0
95.01384	1.9
96.96011	2.9
97.02962	1.7
99.00863	4.1
101.02432	24.2
108.33717	1.2
113.02415	13.5
117.03428	8.0
119.03496	4.1
119.05009	3.1
120.99625	2.0
123.04497	2.5
125.02458	2.6
128.72768	1.5
131.03430	1.4
137.02452	3.4
143.03479	2.1
145.02937	30.6
146.03247	1.4
159.02962	3.9
161.02429	1.6
161.04570	18.1
163.03958	3.3
164.94998	1.4
167.03520	6.6
168.03888	2.1
179.05695	2.2
255.19702	1.6
273.07562	4.8
301.03232	1.8
417.24899	63.1
417.30585	3.0
418.25262	4.8
477.13916	4.0
477.21439	15.9
478.22159	1.6
503.77444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2124
Annotation	Divaricin B
Peak:m/z	Relative Intensity
51.32894	0.2
57.03433	0.3
59.01373	4.5
61.98823	2.9
67.01682	0.2
67.55965	0.2
70.28503	0.2
70.47746	0.8
70.48130	0.2
71.01373	3.6
73.02934	1.4
75.00837	0.3
83.01375	0.4
85.02932	1.8
89.02444	0.6
95.01392	0.2
96.96062	0.3
99.00875	0.5
101.02433	2.0
113.02453	1.8
113.07133	0.3
117.03452	22.9
118.03783	0.6
119.05004	5.5
120.99620	0.5
138.01945	0.5
145.02934	100.0
146.03267	3.0
147.04471	0.5
161.04604	0.6
161.06091	0.3
163.03989	7.2
165.89090	0.3
172.18352	0.3
204.95016	0.3
205.05104	0.3
255.06621	0.6
309.44662	0.3
417.24826	0.5
477.21240	63.4
478.21518	5.3
488.60910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2126
Annotation	Divaricin B
Peak:m/z	Relative Intensity
54.98652	0.2
59.01378	3.3
61.45369	0.2
61.98828	1.4
69.36044	1.2
71.01374	2.3
72.99315	0.2
73.02942	0.7
83.01373	0.4
85.02959	0.9
87.37480	0.1
89.02447	0.7
95.01402	0.3
96.95998	0.2
99.00841	0.3
101.02435	0.9
109.23370	0.1
113.02454	0.7
113.96233	0.2
114.07189	0.2
117.03461	28.2
118.03809	0.9
119.05019	7.0
121.02981	0.6
129.02121	0.1
145.02950	100.0
146.03299	3.1
146.04457	0.2
147.04601	0.3
161.04651	0.2
161.06078	0.5
163.04002	7.8
164.04303	0.3
172.05290	0.2
205.05061	0.7
235.06064	0.3
244.86754	0.2
265.07095	0.7
301.03519	0.2
442.73795	0.2
477.21243	55.1
478.14645	0.3
478.21539	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2124
Annotation	Divaricin B
Peak:m/z	Relative Intensity
54.54502	0.2
59.01374	3.3
60.46659	0.2
61.98828	0.6
64.66576	0.2
67.31554	0.2
70.90841	0.4
71.01368	2.3
72.99316	0.2
73.02926	0.3
75.89927	0.2
77.36044	0.2
78.00319	0.2
85.02949	0.9
89.02440	0.8
93.03512	0.3
95.01387	0.2
97.09834	0.2
99.00874	0.2
101.02441	1.4
113.02454	0.8
116.02707	0.2
116.82465	0.2
117.03456	26.6
117.54839	0.2
118.03800	0.6
119.05016	6.7
121.03005	0.3
122.88451	0.2
145.02937	100.0
146.03265	3.3
161.06065	0.4
161.50861	0.3
163.03987	8.9
163.05383	0.5
164.04305	0.3
205.05009	0.6
217.43813	0.2
250.47266	0.2
265.07129	0.4
272.11505	0.2
289.94763	0.2
290.82101	0.2
292.47449	0.2
334.03107	0.2
477.21231	58.1
478.21545	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	477.2124
Annotation	Divaricin B
Peak:m/z	Relative Intensity
55.01872	0.2
55.06222	0.2
59.01089	0.3
59.01372	3.4
61.98817	1.1
69.58270	1.2
69.75571	0.2
71.01380	2.7
72.99257	0.2
73.02932	0.5
83.01384	0.6
85.02950	1.5
87.00898	0.2
89.02436	1.2
89.03947	0.2
92.71052	0.2
95.01385	0.3
99.00866	0.4
101.02434	2.1
108.02171	0.8
109.02937	1.9
109.13542	0.2
113.02429	1.1
117.03450	29.2
118.03791	0.6
119.03589	0.5
119.05009	7.0
120.05386	0.3
121.02951	0.4
123.04548	0.2
126.15855	0.2
145.02933	100.0
146.03275	2.9
147.04491	0.4
159.02855	0.2
161.04564	0.6
161.06039	0.2
163.03987	7.2
179.10768	0.5
205.05025	0.5
238.75223	0.2
265.07141	0.6
315.18204	0.5
382.34521	0.2
417.24960	0.5
443.89877	0.2
477.21243	57.2
478.21591	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	477.2126
Annotation	Divaricin B
Peak:m/z	Relative Intensity
52.59597	0.3
54.24518	0.3
55.01884	0.4
57.03430	0.5
57.05767	0.3
59.01374	14.9
61.98824	80.3
69.47915	0.8
69.48329	1.4
70.89072	0.3
71.01376	8.7
72.99295	0.5
73.02938	2.9
75.00896	0.4
83.01385	1.1
85.02942	3.9
87.00867	0.6
87.04504	0.5
89.02445	3.3
89.06037	0.3
93.03465	0.4
95.01380	1.0
96.31287	0.3
96.96039	0.5
99.00879	1.3
100.80316	0.3
101.02441	5.3
101.06105	0.3
108.02177	1.0
109.02959	2.0
113.02427	3.4
117.03455	27.6
118.03775	0.6
118.98075	0.4
119.03510	1.4
119.05013	10.6
120.05315	0.4
121.02953	0.7
123.04538	1.0
125.02433	0.6
129.01936	0.6
131.03485	0.3
133.02930	0.5
135.11752	0.4
137.02406	0.7
143.03453	0.5
145.02939	100.0
146.03287	3.1
148.69313	0.3
159.02977	0.9
161.02423	0.4
161.04532	3.5
161.05920	0.7
163.03995	11.0
163.05379	0.7
167.03452	3.5
177.04063	1.1
177.05516	0.4
179.05605	0.9
179.10823	0.8
191.03464	0.5
205.05011	1.9
235.06102	0.8
237.98099	0.4
265.07138	1.4
301.03513	0.8
315.18170	1.0
323.07687	0.7
415.13837	1.2
417.24893	6.2
418.25461	0.4
477.21252	58.9
478.21689	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	477.2121
Annotation	Divaricin B
Peak:m/z	Relative Intensity
52.63831	0.2
57.03432	0.7
59.01087	0.3
59.01372	3.9
59.63269	0.2
61.98825	0.8
65.29097	0.2
65.36362	0.2
65.76103	0.2
69.03463	0.3
70.52810	0.6
71.01376	3.1
72.99305	0.4
73.02927	0.5
75.00868	1.3
83.01376	0.5
85.02934	2.1
87.00860	0.5
89.02431	0.5
89.03923	0.3
93.03474	0.2
95.01334	0.3
97.02967	0.4
99.00884	0.9
101.02425	1.4
105.03448	0.6
107.05052	0.3
108.02174	0.8
109.02942	0.6
111.00890	0.3
113.02422	0.8
114.69660	0.2
117.03454	1.6
123.04485	0.3
125.02428	0.4
129.01932	1.3
132.02135	1.8
133.02940	34.2
134.03665	1.3
135.04507	19.1
136.04840	0.4
137.02443	0.8
139.03999	0.3
139.59721	0.2
145.02950	2.1
148.19257	0.2
149.06053	0.6
152.01099	0.5
153.01874	0.3
159.02965	0.8
161.02425	100.0
162.02759	3.0
163.04053	0.3
165.09245	0.4
171.10208	0.2
173.65973	0.2
177.04071	4.0
177.05579	0.5
179.03473	13.6
180.03844	0.3
197.11832	0.4
203.07147	0.3
209.08145	1.6
209.67191	0.2
221.04538	0.6
221.08121	0.5
225.14951	0.3
291.19687	0.3
301.03494	0.2
309.20682	0.8
315.12473	0.7
321.06119	0.3
339.07123	2.2
343.25006	0.5
448.05377	0.2
477.21292	84.1
478.21600	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72498	0.6
55.74829	0.7
59.01377	7.6
60.99300	12.9
61.98817	1.1
69.64341	0.7
71.01382	3.7
73.02887	0.7
74.99040	1.2
75.00870	22.4
83.01376	0.9
85.02921	1.3
87.00898	0.8
88.98799	100.0
89.02436	2.7
96.96007	3.2
98.19898	1.8
99.00847	0.8
101.02424	2.1
107.01377	0.8
113.02460	1.7
116.19974	0.6
120.99641	1.0
121.02953	4.4
125.02412	0.7
134.06088	0.7
135.04514	2.5
139.02179	0.7
149.02444	3.9
151.00368	2.9
155.51112	0.7
155.52440	0.7
187.04066	0.8
191.03450	1.3
227.03542	1.2
264.28299	0.8
301.03485	53.8
302.03900	3.2
315.06885	0.7
343.04517	0.9
373.05725	1.2
387.16522	9.1
392.28979	0.8
401.14493	1.8
405.10147	0.8
477.06723	15.4
478.06754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2124
Annotation	Divaricin B
Peak:m/z	Relative Intensity
59.01096	0.4
59.01378	6.2
61.98826	5.9
69.13366	0.3
71.01373	3.9
71.42780	0.5
73.02938	1.2
73.71829	0.3
75.00863	0.6
83.01385	0.5
85.02957	2.0
89.02439	0.7
93.03444	2.3
96.95988	0.7
100.66194	0.3
101.02444	2.5
109.02951	3.3
113.02426	1.4
117.03456	27.5
118.03783	0.8
119.03566	0.4
119.05015	7.0
121.02965	0.6
123.04565	0.6
125.02438	0.5
133.02930	5.2
135.04498	1.8
137.02431	4.5
145.02939	100.0
146.03296	2.9
147.04501	0.7
148.36342	0.3
161.02431	17.0
161.06062	0.7
161.93701	0.3
162.02820	0.4
163.03998	10.4
179.03477	0.6
205.04977	0.4
229.99300	0.3
235.06125	0.7
239.10132	0.3
265.07144	1.9
286.03992	0.3
301.03479	1.2
417.24875	1.0
446.59985	0.4
477.21252	68.5
478.21567	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	477.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
57.62107	0.5
59.01374	45.9
59.95794	0.5
61.98820	2.2
69.24165	5.6
69.24574	1.2
71.01379	6.9
73.02945	2.4
73.18645	0.6
81.03461	0.9
83.01394	1.1
83.05009	0.8
85.02952	4.0
87.00871	1.4
88.98790	1.4
89.02444	2.8
93.03455	1.0
95.01370	1.5
96.96016	1.0
97.02943	0.7
97.06576	0.6
99.00884	1.8
101.02428	4.5
108.02165	34.6
109.02950	31.3
110.03270	1.0
111.04536	2.3
113.02443	2.7
117.03466	0.9
117.90464	0.7
119.03445	0.8
119.05034	0.9
121.02921	1.0
123.00867	1.4
123.04493	1.8
125.02441	3.5
132.02182	0.7
133.02943	16.3
134.03696	0.9
135.04510	10.0
135.13943	0.7
137.02437	1.2
145.02969	1.5
147.04564	0.8
151.00404	1.7
151.03970	1.2
152.01143	48.1
153.01923	40.3
154.02245	1.2
154.03548	0.7
155.03493	1.0
155.07059	0.6
157.04996	0.8
161.02429	47.9
161.04390	5.0
162.02785	1.9
163.03993	1.7
165.01907	1.5
167.03555	1.3
168.00615	2.0
177.01950	0.6
177.05460	0.7
179.03497	4.4
225.03928	0.9
255.02780	0.7
301.03479	2.7
315.01508	1.3
315.07172	49.6
316.07587	3.2
323.07553	1.8
330.13269	0.8
331.06747	4.2
357.09711	0.7
372.08600	0.7
416.23575	1.0
417.24841	4.1
433.11496	2.9
441.17844	3.9
477.10342	100.0
478.10574	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	477.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03431	0.8
59.01373	28.6
60.01696	1.2
61.01789	0.8
61.98822	11.1
67.93546	0.5
71.01379	9.6
71.62682	0.6
72.01719	0.7
72.71678	0.5
72.99291	0.7
73.02938	5.4
75.00848	1.3
83.01339	1.6
85.02940	5.1
87.00883	1.4
89.02434	4.6
93.03420	0.5
94.16647	0.5
95.01369	1.5
96.95983	1.4
97.02940	0.8
99.00865	2.1
101.02430	5.5
108.02135	0.5
109.02931	0.6
113.02438	5.3
114.02732	1.1
115.02848	0.5
117.03447	1.7
118.07391	0.5
119.03492	2.1
119.04977	1.3
120.99648	2.1
121.02938	0.9
123.00875	9.9
123.04503	0.8
124.01649	24.3
125.02505	2.3
132.02156	19.6
132.03154	1.1
133.02962	3.2
134.03728	15.8
135.04488	1.7
135.98358	0.8
136.01781	0.6
137.02415	1.7
138.03217	3.4
139.03993	9.6
142.72757	0.5
145.02945	5.0
145.08688	0.7
147.04547	1.0
149.02385	0.9
149.04544	0.6
149.06076	3.0
150.03238	0.7
151.00360	1.3
153.01921	1.0
155.10735	0.6
160.01637	89.0
161.02426	8.9
161.04477	2.2
163.00478	0.5
165.05551	0.8
167.03444	0.6
175.03976	100.0
175.78354	0.5
176.03056	0.5
176.04289	2.9
177.01814	0.9
177.05458	0.7
178.02678	1.1
179.03476	1.9
179.05626	1.1
189.05501	0.7
191.05569	0.7
191.07130	0.9
193.05034	13.5
205.05035	0.8
211.04332	2.7
229.04974	2.3
245.04596	0.7
255.03172	0.7
271.02515	0.8
272.03290	1.0
284.03192	1.6
284.28326	0.5
285.03741	1.9
286.03854	2.7
299.02243	1.0
299.05627	2.2
300.02762	7.9
300.05899	1.5
301.03131	2.5
301.06348	2.5
307.08185	0.5
314.04288	2.1
315.05048	7.2
315.08435	0.9
315.12421	0.9
323.07797	1.8
325.03564	1.5
337.09250	24.9
338.09698	1.4
374.10663	0.5
389.12903	1.2
417.25076	2.5
439.16241	1.0
441.17072	0.5
477.14075	66.4
478.14285	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07241	0.4
54.13322	0.4
59.01367	1.4
69.03444	0.8
69.82931	1.5
69.83343	1.1
71.01364	1.0
79.01913	0.6
81.03419	0.7
95.01409	2.3
97.02940	1.3
98.19944	0.7
101.02428	0.7
104.02415	0.4
107.01362	0.9
108.02130	0.5
111.04497	0.5
113.02393	0.6
117.03427	0.7
119.05012	3.8
121.02908	0.7
123.00869	12.7
123.04539	0.5
124.01665	10.0
125.02431	32.9
126.02732	0.9
130.06621	0.5
133.02937	0.6
137.02414	0.8
139.04004	1.4
145.02980	2.0
149.02359	0.5
149.99568	15.7
151.00314	2.2
153.01862	0.4
161.02406	1.7
162.98082	0.4
163.02109	0.4
163.03970	1.8
167.03468	3.6
168.00620	42.4
169.01407	3.8
169.05040	1.5
179.03532	0.6
183.91559	0.4
193.01399	0.5
214.21559	0.4
222.07022	0.5
233.58574	0.4
269.06653	1.7
271.02649	2.0
299.01920	1.3
300.02612	1.1
313.02109	0.8
313.05646	11.7
315.04987	2.1
331.06656	100.0
332.06989	5.4
339.44580	0.4
460.85071	0.5
477.10202	12.5
478.10449	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00841	0.4
59.01373	2.6
61.98830	0.5
69.03439	0.9
69.88690	1.0
69.89104	0.8
71.01364	1.5
81.03462	0.8
81.41766	0.3
83.01413	0.6
85.02953	0.6
89.02434	0.7
93.03467	0.3
95.01362	2.3
97.02951	0.9
98.20534	0.4
107.01373	0.6
108.02158	0.5
108.62470	0.3
109.02956	0.8
117.03431	0.5
119.05000	3.0
122.99967	0.7
123.00874	17.2
124.01650	11.4
125.02431	29.7
126.02768	0.6
137.02432	0.6
138.85124	0.3
145.02939	0.9
149.56641	0.4
149.99565	17.2
151.00201	1.3
152.01074	0.7
163.04022	1.9
167.03438	3.5
168.00621	41.3
169.01375	3.6
179.03374	0.6
191.03424	0.7
196.64241	0.4
209.99506	0.4
211.02544	0.4
269.06531	1.2
287.69180	0.4
301.03412	1.0
313.05594	10.1
314.05875	0.4
315.06995	0.5
331.06656	100.0
332.07019	4.9
386.40683	0.4
417.24857	0.5
477.10437	7.5
478.10394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12662	0.2
52.60656	0.2
59.01373	0.3
70.12999	0.7
71.01391	0.2
72.70657	0.1
78.95898	5.2
83.47997	0.2
93.01696	0.1
109.02432	0.1
109.08386	0.2
122.00117	0.2
125.02393	0.3
140.01180	2.0
152.99565	0.6
196.03798	1.2
214.04817	2.7
230.10611	0.2
261.22134	0.3
267.04572	0.1
279.23242	100.0
280.23578	6.3
355.38007	0.2
476.27756	11.4
477.28214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59618	0.3
60.62928	0.3
60.64645	0.3
70.76988	0.6
75.49152	0.3
78.95895	100.0
96.96952	8.7
124.97662	0.3
134.90804	0.3
140.01149	0.4
150.97992	0.5
152.99565	18.4
171.00621	21.0
173.16606	0.3
279.23303	0.3
359.77521	0.3
385.67355	0.4
402.23969	1.6
471.18954	0.3
476.27759	64.2
477.28079	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	476.2775
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.87958	0.4
59.01366	0.5
62.96386	0.5
66.68259	0.3
69.27348	1.6
69.27773	1.7
73.59130	0.3
74.24662	0.4
78.95898	71.0
96.55803	0.3
96.96959	4.6
102.31171	0.4
122.00103	0.8
127.00392	0.4
133.57315	0.3
134.98561	0.4
137.79294	0.3
140.01181	5.7
152.99585	11.3
153.99811	0.3
171.00638	9.4
196.01985	0.7
196.03777	9.7
197.04121	0.5
214.04839	2.3
215.41621	0.4
261.22025	0.3
279.23254	100.0
280.23587	6.2
402.24326	0.8
420.89542	0.4
476.27759	63.5
477.28088	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	477.0669
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
59.01374	3.3
63.02386	0.8
65.00324	0.6
69.53396	0.3
71.01369	2.6
72.99281	0.6
75.00844	0.4
82.88618	0.3
83.01362	0.5
85.02927	1.3
87.00871	1.0
88.98801	0.7
89.02431	0.9
98.20589	1.5
99.00851	0.6
101.02442	0.4
105.03467	0.4
107.01379	1.6
113.02417	1.1
119.05049	0.4
121.02933	0.9
125.02399	1.2
149.02428	8.2
151.00337	3.7
154.04201	0.3
159.04498	0.6
168.00639	0.5
177.01903	0.4
187.03969	0.6
191.03494	1.9
193.01234	0.4
199.04042	0.7
211.03925	0.5
215.03468	1.6
227.03523	0.7
229.01399	0.5
233.04568	0.5
238.79654	0.4
239.03445	0.8
251.50288	0.4
255.02974	1.7
261.52036	0.4
283.02362	0.6
300.02747	1.1
301.03497	100.0
302.03879	6.2
313.03467	0.4
343.04538	1.4
373.05643	1.4
441.17694	1.6
477.06689	25.0
478.07162	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
58.99598	0.8
59.01376	37.8
69.52079	0.5
71.01377	4.0
71.62425	0.7
72.99313	1.2
73.02946	1.0
74.99091	8.8
75.00869	0.7
80.82044	0.6
83.01374	1.5
84.95209	0.5
85.02939	2.1
87.00876	6.1
88.98779	0.7
89.02426	4.1
95.01393	0.8
96.95985	3.2
101.02433	3.1
101.93234	0.6
102.98611	1.2
107.05046	2.4
111.00873	7.4
113.02439	2.6
117.58033	0.6
117.97300	0.7
118.98076	2.2
119.03475	1.5
119.05074	0.6
120.99675	1.2
125.02438	1.2
135.04536	0.8
137.00662	10.4
137.02380	0.7
139.02231	10.9
140.02554	0.6
146.03729	30.7
147.04448	1.9
153.03793	2.1
161.04684	1.3
161.06056	11.8
161.67290	0.7
163.04001	1.4
164.04785	19.9
165.05075	0.7
175.07697	1.4
179.07123	100.0
180.07448	3.3
181.03265	2.2
189.12897	1.2
195.39079	0.7
225.02316	1.0
233.11827	3.6
277.10715	1.7
296.24414	0.6
299.01950	1.2
301.07510	0.9
304.25308	0.6
387.07550	24.4
388.07892	1.5
415.16135	1.5
431.10278	2.0
457.17194	0.7
479.39551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68311	0.4
56.38058	0.4
57.03456	0.4
58.00583	0.7
59.01373	100.0
59.91652	0.4
60.01719	0.7
63.32676	0.4
69.59189	2.3
71.01376	17.3
72.99309	0.7
73.02927	0.8
83.01382	0.6
85.02949	2.7
87.00880	2.1
89.02433	30.1
93.03452	1.1
95.01389	1.0
98.72829	0.5
99.00916	0.6
101.02435	8.8
101.03066	0.6
103.00379	0.4
113.02435	9.7
119.03490	11.7
120.99690	0.7
121.02954	1.6
123.04498	3.3
131.03516	1.4
137.02463	1.3
143.03438	3.3
149.04559	1.2
161.04529	4.2
179.05586	14.0
192.20302	0.5
205.94537	0.4
284.03116	2.6
299.05731	1.8
313.10632	0.5
415.23157	2.4
475.22214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
58.00594	1.4
59.01373	100.0
64.56100	0.8
69.49963	2.2
69.50391	3.3
71.00983	1.7
71.01376	32.1
72.49323	0.8
72.99292	1.7
73.02938	2.1
75.00869	0.8
75.92544	0.8
83.01405	1.0
85.02944	7.5
87.00872	3.4
89.02432	41.7
90.02763	1.0
95.01375	2.9
99.00830	1.5
101.02438	15.2
113.02435	23.1
119.03489	14.0
123.04494	1.3
125.02446	1.2
131.03513	2.0
143.03508	3.7
145.02910	1.6
149.04498	1.6
159.03337	0.7
161.04533	7.9
167.03459	3.4
175.02386	1.4
179.03963	1.1
179.05573	12.4
240.56392	0.7
253.18060	2.2
284.03214	8.0
299.05496	9.2
415.23169	4.9
475.19196	0.8
490.48236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03447	0.6
59.01375	100.0
60.80997	0.5
61.98825	8.1
69.03425	0.5
69.50866	2.1
69.51264	1.2
70.74770	0.4
71.01378	16.2
72.70921	0.5
72.99306	1.4
73.02936	5.4
73.03281	0.6
73.67520	0.5
75.00851	3.2
75.98829	0.5
83.01392	2.5
85.02946	10.5
87.00876	1.8
89.02435	6.8
93.03445	2.5
95.01402	2.1
99.00867	3.0
101.02431	13.5
101.03067	0.7
113.02435	11.3
117.03484	1.4
119.03500	2.2
119.05035	0.7
121.02946	6.8
123.04512	16.1
125.02464	0.8
129.02000	0.5
143.03477	1.6
145.02953	3.8
159.03006	2.0
161.02525	2.9
161.04547	11.1
175.02483	1.1
179.03702	0.5
179.05638	2.0
209.11700	2.8
213.20329	0.4
227.03418	0.6
251.16432	0.6
253.12422	0.6
253.18187	0.6
256.03671	0.9
284.03214	9.9
299.05569	11.9
299.08630	0.9
300.06073	1.0
320.28082	0.5
402.46878	0.6
415.23154	26.6
416.23456	2.5
433.27933	2.6
437.23767	0.9
475.08719	1.3
475.19882	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
58.99598	0.8
59.01376	37.8
69.52079	0.5
71.01377	4.0
71.62425	0.7
72.99313	1.2
73.02946	1.0
74.99091	8.8
75.00869	0.7
80.82044	0.6
83.01374	1.5
84.95209	0.5
85.02939	2.1
87.00876	6.1
88.98779	0.7
89.02426	4.1
95.01393	0.8
96.95985	3.2
101.02433	3.1
101.93234	0.6
102.98611	1.2
107.05046	2.4
111.00873	7.4
113.02439	2.6
117.58033	0.6
117.97300	0.7
118.98076	2.2
119.03475	1.5
119.05074	0.6
120.99675	1.2
125.02438	1.2
135.04536	0.8
137.00662	10.4
137.02380	0.7
139.02231	10.9
140.02554	0.6
146.03729	30.7
147.04448	1.9
153.03793	2.1
161.04684	1.3
161.06056	11.8
161.67290	0.7
163.04001	1.4
164.04785	19.9
165.05075	0.7
175.07697	1.4
179.07123	100.0
180.07448	3.3
181.03265	2.2
189.12897	1.2
195.39079	0.7
225.02316	1.0
233.11827	3.6
277.10715	1.7
296.24414	0.6
299.01950	1.2
301.07510	0.9
304.25308	0.6
387.07550	24.4
388.07892	1.5
415.16135	1.5
431.10278	2.0
457.17194	0.7
479.39551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03431	3.1
59.01376	45.4
59.97940	0.8
61.98838	0.8
69.03460	1.9
69.79182	1.3
69.79510	5.2
71.00985	1.9
71.01378	39.2
72.99297	2.1
73.02943	18.0
83.01389	12.6
85.02946	17.7
87.00862	5.7
87.63346	0.8
88.98808	3.1
89.02433	5.8
95.01370	2.3
96.95967	1.0
97.02953	2.4
99.00888	7.6
101.02437	40.6
103.03998	4.4
113.02441	16.8
119.03475	0.9
125.02460	4.4
129.01959	1.3
143.03506	2.5
145.05057	1.5
159.02972	3.9
161.04556	21.7
163.06090	2.0
166.85507	0.9
195.06631	1.6
211.52956	0.9
247.08331	1.2
269.10260	53.5
270.10678	2.1
272.17252	1.0
299.01904	1.4
299.05396	1.1
307.10532	1.4
343.77325	0.9
346.85861	1.0
415.16037	100.0
416.16409	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16828	1.4
55.02912	1.2
57.03462	1.4
58.00580	2.5
58.80494	1.3
59.01373	94.3
61.98822	2.9
69.50546	2.9
69.50955	7.9
71.01375	54.4
72.99324	2.5
73.02943	10.0
83.01409	2.5
85.02960	7.1
86.57192	1.4
87.00838	7.5
88.98804	8.8
89.02433	98.6
99.04529	1.4
101.02431	44.6
108.48304	1.4
113.02436	13.3
115.00348	2.0
119.03464	7.2
125.02406	3.3
131.03485	42.2
149.04532	100.0
153.05566	3.8
161.04558	3.1
176.04807	1.8
191.05595	18.5
191.07144	3.2
192.71027	1.7
225.05951	7.1
251.07608	1.9
269.10544	1.4
293.08719	2.2
415.15970	38.5
415.23703	1.6
475.11932	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93840	1.1
65.33717	1.3
66.13863	1.1
69.54469	4.1
69.54892	4.0
71.01377	14.4
72.99297	6.0
89.02419	3.3
107.94628	1.1
115.00353	38.7
133.01418	100.0
187.93214	1.1
191.05536	1.5
224.16631	1.3
224.68761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	1.0
58.30414	0.8
58.97221	0.9
59.01365	1.6
69.64732	5.4
71.01382	16.6
72.99313	4.8
78.51944	1.1
79.74821	0.8
87.00879	2.9
87.04505	1.2
89.02444	4.1
98.20632	1.2
115.00365	39.5
123.35186	1.1
133.01419	100.0
133.05054	36.2
134.01819	1.4
135.36548	0.9
138.91930	1.2
145.00114	1.0
187.10901	0.9
191.05464	1.1
308.07449	1.0
342.14676	1.2
346.16226	0.9
346.95538	1.0
383.51154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	16.8
59.01374	100.0
61.98820	4.0
68.89349	2.4
69.93671	6.2
69.94081	8.0
71.01375	32.2
71.27153	2.4
72.99294	7.7
73.18646	2.2
74.99070	6.4
83.01393	19.7
83.05030	2.8
85.02941	10.8
87.00882	5.0
88.98775	3.2
89.02430	39.2
93.03411	2.6
96.96003	7.1
99.04504	9.2
101.02428	22.3
102.98601	5.7
111.00896	2.7
111.04538	2.5
113.02442	12.0
119.03455	11.8
119.64547	2.2
120.99607	3.4
121.02926	4.9
121.06561	3.6
122.03751	3.1
131.03357	3.2
137.02345	3.5
139.02171	12.9
146.03670	10.6
147.08157	3.9
147.11749	9.6
149.02425	8.7
150.03194	21.6
161.04623	5.1
161.06032	5.3
163.04054	2.7
164.04715	7.2
165.01875	11.1
165.05533	42.0
171.11751	6.0
173.09653	5.0
175.07617	33.0
179.05602	8.7
179.07123	23.4
180.04245	12.3
181.03368	2.7
181.05008	4.3
189.12805	23.7
191.10796	5.6
195.06609	91.1
203.10909	3.1
215.10661	5.6
233.11806	53.8
243.08725	8.0
257.65753	2.6
271.02396	3.3
277.10803	52.9
295.11987	2.7
331.11835	4.7
387.07327	6.2
391.14001	25.3
409.11005	3.1
431.10098	7.4
439.16006	45.4
440.16391	5.0
457.16946	20.2
475.13742	5.1
503.81049	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	475.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03434	2.4
58.98463	0.3
59.01374	24.6
61.98834	1.9
65.63191	0.4
67.62122	0.4
69.03444	0.5
71.01379	10.8
71.01761	0.9
71.05022	0.5
72.99294	0.7
73.02943	3.2
75.00874	0.8
77.53239	0.4
81.03455	4.7
83.01379	3.3
85.02942	7.0
87.00862	1.1
87.04511	0.6
89.02431	3.4
93.03431	0.5
95.01377	1.6
95.05032	1.2
96.94057	0.4
96.96014	0.5
97.02925	0.7
99.00872	1.8
99.04515	0.6
101.02431	5.3
107.01372	0.6
107.05016	0.6
109.02985	0.5
109.06616	1.1
113.02434	8.8
115.04077	0.4
117.03452	6.4
118.98047	1.4
119.03486	1.3
119.05041	2.9
121.02986	0.7
123.04516	34.9
124.04838	0.8
125.02442	6.2
125.09689	1.3
135.04515	0.5
137.02402	0.9
139.04004	0.5
143.03568	0.5
145.02939	22.8
146.03253	0.9
147.04521	1.2
149.02426	1.2
150.75922	0.4
151.00337	1.2
151.03983	0.6
153.05600	0.4
155.06917	0.4
159.02975	1.3
161.04549	6.6
161.05977	0.5
163.04016	3.7
165.05554	0.7
166.05164	1.0
167.03481	100.0
168.03790	2.9
175.00327	0.7
175.02496	1.0
179.03511	1.0
179.05612	0.6
181.05037	1.7
181.12386	0.6
183.13905	2.0
191.03482	16.7
192.03888	0.6
205.05055	1.0
209.04529	5.8
210.04895	0.4
211.17001	0.4
216.19444	0.4
221.04599	1.4
233.04536	1.6
235.17014	5.9
253.18129	2.4
256.03714	0.6
265.07303	0.8
284.03259	8.8
285.03589	0.5
299.02139	0.4
299.05539	9.9
300.05927	0.7
306.44736	0.4
307.08194	1.5
345.19269	0.6
415.23340	7.1
425.92230	0.4
457.11157	0.5
475.12408	11.7
475.19803	10.8
476.12738	1.4
476.19873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
70.89992	0.9
70.90358	0.7
78.95895	100.0
93.04045	0.4
96.96950	7.5
152.98334	1.0
152.99577	16.2
154.00027	0.5
171.00626	18.8
171.02086	1.0
196.03722	0.5
274.89664	0.5
277.21671	6.4
284.03259	1.4
299.05493	1.2
365.90741	0.4
376.46115	0.6
400.22504	1.4
474.26184	59.7
475.26593	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	475.0874
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
51.12256	0.3
52.03904	0.3
55.01857	0.7
57.03440	2.4
58.00576	0.5
59.01373	11.2
59.63659	0.4
63.02385	0.4
65.00312	0.5
67.01865	0.5
69.20196	0.3
69.51781	2.3
71.01375	9.7
72.18667	0.3
72.99292	1.6
73.02912	1.0
75.00869	4.9
83.01353	1.0
84.02139	0.7
84.07526	0.3
85.02941	20.5
86.03284	0.5
87.00384	0.3
87.00870	3.7
89.02436	2.1
95.01378	6.3
98.19894	0.7
99.00238	0.5
99.00863	8.3
102.99782	0.4
103.00369	3.5
107.01363	0.9
111.00850	0.5
113.02437	38.3
114.02743	1.2
115.00359	1.9
117.01931	2.7
118.53985	0.3
121.09667	0.3
125.52575	0.3
129.01974	1.5
133.02986	0.5
134.03699	1.1
136.60808	0.3
142.41924	0.3
148.01646	0.4
151.00366	2.1
157.01402	0.8
168.27365	0.4
174.03242	0.3
175.00954	0.7
175.02452	10.8
176.02870	0.3
185.09340	0.3
186.06799	0.3
200.04744	0.5
211.03952	0.9
212.04865	0.5
227.03387	1.3
228.04308	0.3
255.02910	0.8
256.03751	6.3
257.04211	0.5
283.02243	0.6
284.03223	95.2
285.03580	6.2
298.04892	0.6
299.05563	100.0
300.05905	7.7
313.90054	0.4
341.06561	0.6
371.07755	0.5
407.14267	0.3
452.25394	0.3
475.08746	9.2
476.09167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98832	1.4
65.76731	0.5
69.85947	1.1
69.86337	1.5
73.42491	0.5
84.89326	0.4
115.45345	0.4
138.89427	0.5
162.83929	0.7
473.32785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2311
Annotation	XMD8-92
Peak:m/z	Relative Intensity
56.04533	5.4
59.01374	100.0
60.82449	5.8
61.98821	30.8
67.71330	5.7
69.42573	13.9
69.42982	28.3
71.01371	13.4
73.02943	9.7
75.72331	5.1
76.86653	5.0
82.74438	7.4
90.38412	5.7
91.26178	6.0
101.02391	6.0
101.06103	10.8
110.93139	6.3
125.02434	7.0
145.02879	9.1
200.32085	5.9
251.16573	12.1
257.08701	5.5
437.23761	13.5
461.32800	5.9
473.22903	57.8
474.22919	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	473.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	94.3
59.01674	6.0
61.98823	2.9
69.82891	10.9
69.83297	6.5
71.01374	97.6
72.99313	7.2
78.95895	16.1
85.02949	9.1
87.00916	3.1
89.02438	100.0
89.02990	6.2
95.01372	3.5
96.96008	11.1
98.19875	3.4
101.02444	22.3
113.02443	21.2
119.03461	17.7
121.10210	12.9
127.53728	2.8
143.03461	5.4
161.04547	7.9
171.10248	29.4
179.05574	31.4
275.20102	47.3
276.20572	3.7
277.21747	4.0
293.21194	66.5
391.18027	12.1
473.28802	5.2
474.26025	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	474.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.1
59.74879	0.4
61.98824	100.0
69.60155	0.4
71.01379	1.7
73.02945	0.7
85.02940	1.1
87.47108	0.4
89.02445	1.4
93.03457	1.3
98.19884	0.8
101.02441	1.1
113.02441	0.9
117.03390	0.5
119.03513	0.8
119.05031	0.5
123.04543	0.8
137.02435	2.7
145.02963	1.3
146.03191	0.7
147.04552	0.5
148.05290	24.1
149.05707	0.6
163.07631	33.9
164.07933	2.0
167.03464	2.0
175.02423	0.6
268.03662	0.5
269.04242	1.2
284.03284	2.1
297.08167	0.4
299.05518	2.6
324.29309	0.4
415.23349	1.0
457.06381	0.4
474.11145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76561	0.2
55.13971	0.1
57.50492	0.2
59.01378	1.1
61.98825	0.2
62.05637	0.1
62.13578	0.2
69.97320	0.4
69.97714	0.4
71.01370	0.3
78.95892	12.1
83.05022	0.2
93.28904	0.1
96.96950	0.5
99.09665	0.2
112.86407	0.2
127.07625	0.4
140.01158	2.3
152.99521	1.7
162.83870	0.3
163.75337	0.2
171.00630	1.1
196.03764	1.2
213.29224	0.2
214.04825	3.4
233.22726	0.3
259.20605	0.5
275.20071	0.4
277.21667	100.0
278.22012	6.8
278.24268	0.2
284.03238	0.6
299.05457	0.5
342.01166	0.2
422.45749	0.2
436.08807	0.3
438.08783	0.2
457.26025	0.2
474.26169	15.5
475.09512	0.2
475.26465	1.5
485.24060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84705	0.3
59.01373	100.0
60.01714	0.7
63.14532	0.3
71.01358	0.4
72.82903	0.3
73.02937	0.7
75.00879	0.3
81.99059	0.3
85.02953	0.4
89.02461	0.3
109.00361	0.3
112.46393	0.3
113.93349	0.3
145.02917	0.4
154.44507	0.4
229.65602	0.4
378.73627	0.3
436.00146	0.3
473.27661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.3
57.03428	6.4
57.34083	1.4
59.01373	91.2
60.42101	1.7
61.19135	1.5
61.98819	11.0
69.03425	1.8
69.49979	6.5
69.50411	6.2
71.01376	95.2
72.01705	2.3
72.99290	6.3
73.02937	19.1
75.00877	2.3
83.01383	14.8
85.02943	60.1
87.00859	9.5
88.03452	1.5
89.02437	54.7
91.21289	1.8
93.03436	5.0
95.01394	9.0
96.95967	2.5
97.02932	4.9
97.06554	5.1
99.00237	2.4
99.00870	30.6
101.02432	76.0
101.06071	2.9
102.02779	1.8
109.02928	2.6
113.02438	65.0
115.07582	3.6
117.03472	8.1
119.03482	20.7
119.04980	5.0
121.02990	1.5
123.04485	2.9
125.02396	6.9
131.03436	2.4
135.04521	2.5
136.30495	1.5
137.02414	7.7
143.03470	24.3
145.01842	2.7
145.02946	40.3
146.03223	2.3
149.02383	2.3
149.09709	70.4
155.03500	2.7
159.02962	5.0
161.04541	70.7
161.05899	3.1
163.03947	13.1
163.11328	1.7
165.05574	11.8
179.05617	13.2
203.05562	1.9
209.05980	1.8
221.06610	7.1
245.06586	2.1
268.03683	7.0
269.04623	2.2
304.92404	1.7
307.08142	6.7
311.14929	2.4
323.09781	100.0
324.10037	6.5
353.94498	2.2
413.21780	3.7
473.10281	3.9
473.18286	7.9
473.22916	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	473.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01374	23.9
60.38269	0.7
61.63610	0.8
61.98833	3.7
67.58123	0.6
71.01376	9.9
72.99305	0.8
73.02941	3.3
83.01374	1.0
85.02943	2.3
87.00883	1.5
87.10973	0.7
89.02435	5.3
96.96007	3.7
101.02456	5.8
103.05526	1.7
113.02439	3.3
117.03452	2.1
119.03487	2.5
119.05008	1.2
121.02991	0.6
121.05092	3.3
125.02425	2.5
127.07673	3.7
131.05011	0.7
133.06651	0.7
135.04509	0.8
135.98355	1.6
145.02948	1.3
147.04509	100.0
148.04840	2.7
159.04485	0.6
161.02422	1.7
161.04565	2.9
161.06085	6.4
164.04765	4.1
169.08696	0.9
171.06557	1.2
179.05643	1.5
179.07137	5.1
187.07570	0.7
189.05502	1.3
239.06987	0.8
265.09192	4.2
269.04391	1.0
281.04532	1.5
283.06125	9.0
284.06342	1.2
295.06171	2.3
311.05569	18.3
312.05881	0.8
323.05597	2.7
341.06631	4.2
353.06705	0.7
376.07755	0.7
413.08777	1.9
413.14578	5.4
413.21597	2.2
473.10739	6.0
473.16714	5.5
474.11514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
59.01371	17.2
59.99447	0.4
61.98821	5.0
69.30980	3.2
69.31390	0.8
71.01369	4.0
72.60860	0.3
73.02937	2.8
75.00861	0.9
75.24209	0.4
77.73081	0.3
80.64202	0.4
83.01362	0.7
85.02961	1.9
87.00864	0.6
89.02439	1.7
93.00256	0.4
96.95972	0.4
98.19898	0.8
99.04508	0.7
101.02454	1.7
101.06078	0.7
107.05058	0.4
107.41927	0.3
109.02953	4.1
109.06594	1.0
109.53395	0.3
113.02406	1.7
113.06098	0.6
113.81520	0.4
115.07587	0.4
117.03451	27.7
118.03751	0.7
119.03553	0.4
119.05009	8.3
120.99619	2.5
121.02927	2.8
122.03708	1.5
125.02449	0.7
135.04494	2.8
137.05058	0.6
137.06070	7.5
139.02200	2.7
145.02934	100.0
146.03268	3.9
149.06041	2.4
151.07649	0.8
161.02359	0.5
163.03986	7.7
164.08405	8.5
165.09177	4.5
175.04057	0.5
179.07149	0.9
181.05057	24.7
182.05379	1.1
183.10403	0.6
187.03961	0.4
227.03815	0.8
240.33740	0.4
247.11659	0.4
251.16502	1.1
252.49211	0.4
286.62338	0.4
307.08197	9.3
308.08740	0.5
325.08698	1.1
337.09506	0.5
403.15176	0.4
437.18292	0.4
473.18210	45.0
474.18588	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	473.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
59.01373	6.8
61.98818	3.1
69.24729	3.2
71.01375	3.5
72.99297	0.4
73.02927	1.5
75.00862	0.4
80.59222	0.3
83.01395	0.4
85.02943	1.7
87.00905	0.3
89.02429	2.0
93.03445	0.5
95.01434	0.4
96.96007	0.4
101.02443	1.8
105.31200	0.3
107.05000	1.0
113.02430	1.9
117.03451	25.2
118.03741	0.6
119.03559	0.6
119.05002	7.5
121.02954	0.8
122.03727	1.0
125.02408	0.4
133.02901	0.4
135.02925	0.3
137.38000	0.3
145.02931	100.0
146.03279	3.3
147.08145	0.7
149.06052	3.1
151.07616	0.5
155.10751	1.1
159.04486	0.3
160.04094	0.3
161.02420	0.7
161.04559	0.8
161.06085	0.4
163.03986	6.6
164.04451	0.3
164.08392	6.3
165.05519	1.1
165.09181	12.3
179.05569	0.5
179.07115	0.9
179.10568	0.3
187.03992	0.5
188.03497	0.7
191.05579	0.8
235.06250	0.3
247.06099	0.4
268.03827	0.4
293.17310	0.3
307.08176	15.5
308.08578	0.8
318.13263	0.7
324.94070	0.3
336.06900	1.4
413.21643	0.7
473.18073	45.5
474.18481	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	473.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	4.6
59.01375	79.7
64.42173	2.4
69.84119	14.5
69.84523	5.1
71.01371	17.3
73.02949	17.0
83.01365	3.7
85.02918	3.2
87.00810	3.9
89.02426	10.9
89.57253	2.5
101.02444	15.7
113.02416	5.8
119.03473	4.9
122.07968	2.6
125.02419	4.6
132.02165	18.5
134.03716	24.7
145.02933	4.8
149.06038	6.8
160.01642	84.2
161.02095	3.5
163.11278	3.9
175.03990	100.0
176.04356	5.2
191.07030	3.7
193.05029	50.9
207.10229	11.0
235.06200	13.6
281.76932	3.0
369.15643	3.4
387.16702	7.8
429.17599	72.9
430.17593	5.5
473.10840	4.2
473.16577	98.4
474.16971	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	473.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.5
61.98830	2.2
71.01356	1.8
71.61138	0.5
73.28672	0.3
78.95896	3.8
79.95727	2.4
85.02943	1.1
87.04508	0.4
89.02435	1.1
96.96001	100.0
96.96894	6.9
98.02445	0.4
98.95594	0.5
99.59401	0.3
101.02422	0.6
108.02154	0.5
109.02995	0.3
112.17166	0.3
112.37212	0.3
113.02422	0.9
118.96661	0.4
121.02994	0.3
125.02402	0.4
131.03419	0.7
137.02448	0.4
151.06076	0.6
160.89803	0.3
161.02455	0.4
173.04509	0.6
179.03468	0.4
191.05624	0.8
197.04462	0.5
197.80582	0.3
201.75476	0.4
208.97638	1.1
223.99979	1.0
246.99297	0.4
249.98001	0.5
250.98625	1.6
259.01172	0.5
270.11087	0.4
274.57059	0.3
277.04001	0.4
278.98087	0.3
294.00436	0.4
299.79089	0.3
353.01822	2.9
356.91086	0.4
413.04016	3.5
437.46951	0.3
455.08826	1.6
473.15512	1.5
495.25684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46650	2.0
57.03447	2.3
59.01374	100.0
61.98830	11.0
67.77351	1.9
71.01376	25.5
71.62879	3.5
72.99284	2.7
73.02948	25.5
79.95728	2.1
83.01389	5.4
84.95115	7.7
85.02954	7.8
87.00881	6.9
87.04520	3.6
88.98794	2.4
89.02436	11.8
93.03446	6.1
94.79722	2.0
96.96005	19.2
97.02956	3.9
99.00867	3.0
101.02425	17.6
107.42136	2.1
108.02186	3.1
109.02962	5.3
111.00891	6.8
113.02440	10.6
115.04034	4.5
117.03470	8.0
119.03505	9.2
119.05025	7.1
121.02966	4.3
123.04505	7.4
125.02419	13.7
132.02153	4.3
133.05086	6.2
133.06607	2.6
134.03749	7.0
135.04477	3.5
137.02441	4.3
143.03510	4.4
145.02933	30.3
150.03227	6.2
151.03998	2.4
153.01904	3.4
160.01642	25.1
161.04564	2.5
161.06076	2.8
163.04019	12.3
163.11302	4.4
165.05638	6.3
169.01445	6.7
175.03995	30.0
179.03499	2.8
183.94394	2.0
191.03572	2.6
191.05598	5.2
193.05019	11.8
194.30072	1.9
195.06670	8.7
205.05118	4.9
207.10155	9.8
235.06062	4.5
237.07756	3.9
245.01372	3.1
265.07135	2.3
295.10437	2.4
369.15381	3.0
387.16766	8.6
429.11499	4.1
429.17581	82.4
430.18195	9.5
437.11224	3.6
473.16684	74.9
474.16882	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	Kuguacin R
Peak:m/z	Relative Intensity
59.01364	0.7
61.98833	2.8
63.99252	0.4
65.68509	0.5
69.40540	3.0
71.05023	3.7
73.28388	0.4
78.64825	0.4
85.80338	0.4
95.05000	0.6
98.19911	0.9
118.19071	0.4
121.06544	0.5
123.08147	2.2
130.68149	0.4
152.03615	0.4
231.17484	0.5
273.18588	0.5
313.06992	0.4
327.26950	1.1
340.06808	0.4
377.28610	0.8
393.31653	3.7
395.29657	0.6
407.29422	7.7
408.29932	0.5
409.30948	3.2
409.34833	3.4
410.31055	0.6
423.32614	27.1
424.32877	3.5
425.34195	17.5
426.34259	2.3
427.35645	3.1
437.30301	0.5
443.35544	0.6
449.65594	0.5
469.33151	6.9
470.33676	0.9
471.34735	100.0
472.35126	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14198	0.3
55.91809	0.3
57.03177	0.6
57.03441	7.6
59.01082	0.5
59.01372	4.1
61.98825	1.6
65.45419	0.4
69.53249	0.9
69.53657	1.9
70.43330	0.3
71.01378	1.4
72.99334	0.3
73.02929	1.0
75.00787	0.4
77.45924	0.3
81.03439	1.4
83.01374	5.3
85.02945	1.1
87.00857	1.3
89.02440	0.8
93.03440	0.8
95.01395	0.4
95.05026	1.0
96.96013	1.5
97.02943	3.5
99.00902	0.9
101.02422	0.9
105.57974	0.3
108.02164	1.2
109.02940	1.5
113.02430	0.6
117.03487	0.9
118.95969	0.4
119.05019	2.3
121.02957	0.9
123.04494	0.7
123.71217	0.4
125.02433	100.0
126.02741	2.3
133.05026	0.7
134.03748	0.7
135.04532	0.6
137.02467	0.6
137.06059	3.4
139.03973	2.5
145.02939	3.7
149.01250	0.6
149.02428	8.0
150.03107	0.5
151.03961	0.7
152.01147	1.6
153.01920	1.3
160.01640	1.3
163.04001	3.8
163.05264	0.6
165.05562	1.6
167.03516	2.6
175.04024	1.9
177.01828	0.4
177.05537	0.7
179.03519	1.8
181.05006	4.5
187.03946	0.5
191.03467	0.8
191.05623	0.5
193.05058	0.9
195.06630	2.0
205.05063	1.3
223.06203	0.6
225.03989	5.7
237.07666	0.7
238.37854	0.3
245.01251	0.6
249.04065	2.4
262.59601	0.3
267.05014	0.8
275.02234	0.5
315.06964	0.4
329.08813	1.7
421.93134	0.4
429.10306	33.3
429.16995	1.1
430.10645	2.9
450.70514	0.4
473.07437	0.8
473.16995	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	471.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04033	11.4
57.25705	10.4
59.01371	100.0
61.98833	54.1
65.88978	11.1
70.52832	39.2
71.01363	17.8
78.85612	10.9
78.95892	69.0
85.02927	13.0
89.02402	13.4
96.96034	24.6
125.02465	16.5
145.02924	20.1
149.73549	11.0
164.75504	11.1
222.25031	12.8
274.37509	12.5
309.20581	11.9
314.49625	10.5
471.20627	24.3
471.25897	37.3
472.25754	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69406	0.5
55.01858	0.9
57.03425	0.9
58.00571	0.8
59.01373	51.4
61.98818	4.6
69.29222	0.9
69.29625	5.4
71.01373	10.2
72.99278	1.1
73.02925	1.5
83.01361	1.9
85.02927	2.2
87.00867	1.5
87.04485	0.8
89.02425	2.9
93.03414	0.7
95.04986	0.7
96.95997	1.9
97.02949	1.1
99.00850	1.3
101.02428	4.8
101.06071	41.2
102.06387	1.0
107.05064	0.6
109.02933	1.2
109.06608	0.7
113.02431	2.7
115.07632	35.7
116.07981	1.2
117.03442	4.1
119.05023	4.4
121.02939	1.2
125.02415	6.1
133.06596	1.0
134.03693	0.8
135.04507	27.7
135.11827	1.0
139.03995	3.9
143.07106	3.5
145.02946	13.9
146.03282	0.9
147.04489	1.7
147.08116	1.1
149.02403	0.7
153.09213	3.2
161.02345	0.8
161.04573	1.6
161.05928	0.7
163.04001	7.7
163.11264	41.3
164.11522	1.6
177.09183	0.7
179.03470	27.8
179.10725	1.0
180.03802	1.1
187.03920	0.7
205.04904	0.9
207.02989	8.2
209.11795	0.7
243.04825	1.3
249.15068	1.0
278.24420	0.7
278.92801	0.7
288.21851	0.6
307.08136	2.2
369.08154	1.4
369.15439	2.7
387.16589	1.7
427.19052	0.7
440.69672	0.6
471.22284	100.0
472.16241	1.0
472.22650	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	471.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.3
59.01374	51.8
61.98829	18.9
71.01374	34.5
71.63912	4.2
73.02930	13.4
74.22368	3.7
74.39165	3.8
74.96208	3.7
85.02956	5.8
89.02431	46.4
96.95997	29.0
99.00867	17.5
101.02420	30.1
101.06104	9.1
113.02440	14.5
117.03471	3.7
119.03497	5.2
119.47184	3.2
125.02412	11.8
131.03500	10.0
145.02846	3.9
149.04532	28.8
151.00374	7.6
161.02350	3.6
161.04570	5.3
179.05573	3.8
179.10760	4.3
191.05565	8.2
251.07707	6.7
268.03748	16.2
269.04489	23.1
309.13379	6.2
413.08917	4.2
435.22275	97.6
436.22455	10.2
471.09088	11.6
471.19876	100.0
471.25607	6.0
472.20480	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	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21976	1.0
52.15448	1.1
57.03436	1.8
59.01097	1.8
59.01374	27.5
60.99273	1.5
61.98828	5.7
69.94465	6.1
71.01380	17.0
72.99298	1.4
73.02921	3.7
76.79114	1.2
83.01364	1.8
83.05008	2.0
85.02917	5.9
87.00857	3.3
88.98805	7.3
88.99242	1.1
89.02424	12.9
90.56297	1.0
93.03422	3.2
95.01374	1.5
96.96003	5.6
99.04465	1.6
101.02430	11.1
108.02150	2.8
109.02895	4.4
113.02419	11.1
115.03983	1.4
117.03421	5.5
119.03454	4.4
119.05002	3.3
121.02929	5.5
123.00825	1.2
123.04502	1.6
125.02419	5.3
125.05967	1.2
127.03984	2.2
129.40271	1.1
132.02129	2.9
133.02937	6.8
133.05060	3.3
134.03734	45.7
135.04431	5.5
136.01631	2.5
137.02397	4.0
137.06129	1.3
143.03471	1.8
145.02934	7.4
147.04506	12.7
148.05295	6.8
149.02274	1.3
149.06067	10.0
151.03929	1.8
158.03693	1.8
160.01627	15.9
161.02513	5.6
161.04486	2.5
161.05920	2.2
163.03955	4.3
163.07588	1.8
165.05487	4.1
168.00526	1.6
173.06056	4.1
174.03188	1.8
175.03986	21.7
176.04762	24.9
177.01903	4.5
177.05275	2.1
178.02666	5.9
179.03452	1.7
179.05577	1.4
179.10825	5.6
181.05003	1.6
191.05705	1.7
191.07104	35.6
192.04224	3.9
192.07396	1.9
193.05032	53.3
194.05391	2.5
204.27943	1.1
207.06606	13.1
211.05939	2.2
220.03687	5.4
227.07120	2.1
231.13840	1.2
235.06076	75.2
236.06352	4.1
249.14906	13.6
253.05048	2.2
265.07153	13.7
271.02472	4.1
271.05829	1.8
295.07761	5.8
295.10672	27.3
300.02747	7.7
301.03256	2.3
355.10413	1.9
387.16504	1.5
427.19864	2.0
433.07608	5.2
453.15271	1.8
467.30524	1.2
471.14902	100.0
472.15417	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	471.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01374	5.2
61.98814	0.9
69.33870	0.6
69.34274	1.7
71.01370	1.6
73.02959	0.3
73.77457	0.3
83.01369	0.4
89.02456	0.6
96.95993	0.3
99.04494	0.5
101.02438	0.9
101.06070	0.8
101.84357	0.2
113.02435	0.5
117.03456	24.6
118.03804	0.5
119.05014	12.6
125.02438	3.4
131.05019	0.5
132.05785	0.3
132.52390	0.2
133.06537	1.5
141.67894	0.2
145.02939	100.0
146.03282	3.7
147.04527	0.4
148.05263	0.5
149.02414	0.4
149.05615	0.3
159.04514	1.5
161.06055	3.8
161.13304	0.4
163.03992	15.6
163.07632	0.8
163.11275	0.3
164.04308	0.4
167.03490	0.6
167.73709	0.3
170.72006	0.3
173.06061	0.3
177.05565	1.1
179.10675	0.5
184.96822	0.3
185.80765	0.2
187.03993	5.8
205.05025	2.9
229.04976	0.3
235.06082	3.2
249.14937	0.5
265.07095	4.7
265.09689	0.4
289.96426	0.3
307.08182	11.2
308.08533	0.6
309.07608	0.3
325.09052	1.5
351.08633	0.6
411.10825	1.1
411.20383	0.5
471.12689	4.9
471.22986	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	471.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	30.7
61.98820	2.3
64.86584	0.8
67.07302	0.9
67.91008	0.9
69.45797	7.8
71.01371	13.1
73.02943	1.8
83.01385	1.4
83.05006	1.1
85.02932	3.9
87.00857	1.3
89.02426	8.6
93.03449	1.8
94.52370	1.0
96.95993	2.0
101.02440	6.2
105.91872	1.1
111.04513	1.2
113.02420	5.4
117.03475	4.4
119.03477	2.8
119.05018	2.0
121.02929	1.7
123.04506	3.2
125.02454	1.6
133.02934	5.1
134.03725	47.6
135.04547	5.9
136.01607	4.3
136.05351	1.0
137.02435	3.7
139.02194	1.0
141.97215	1.1
143.03485	0.9
145.02950	1.1
147.04523	9.7
147.65198	0.8
148.05280	6.7
149.06088	9.8
151.03993	3.2
153.05534	2.9
153.09102	1.3
158.03685	2.6
160.01640	13.0
161.02400	3.7
161.04578	2.6
163.03960	3.5
163.07652	1.7
164.04820	0.9
173.06041	3.4
174.03197	2.0
175.03967	23.2
176.04750	28.2
177.01868	5.9
177.05380	2.1
178.02664	7.0
190.02872	1.0
191.07108	39.8
192.04236	5.7
192.07434	2.2
193.05025	60.8
194.05310	2.0
195.06573	3.4
207.06606	17.3
215.60870	0.9
217.04933	1.7
220.03749	6.4
235.06073	87.9
236.06433	4.3
249.14938	1.1
256.75351	1.0
265.07141	14.1
281.06671	2.8
295.07773	6.5
295.10782	20.7
309.12442	2.4
345.99640	1.1
355.10147	1.1
471.14978	100.0
472.15381	10.9
472.21344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54452	0.1
59.01377	4.8
61.98814	0.3
62.99665	0.2
69.03456	0.2
69.40954	1.2
71.01376	2.7
73.02941	2.6
78.61825	0.2
81.03454	0.2
83.01383	0.8
85.02957	0.6
88.98804	0.2
89.02449	0.7
93.03443	0.8
95.01393	0.2
96.96024	0.2
101.02430	2.0
108.02196	0.3
108.75539	0.2
109.02943	0.8
109.28562	0.2
113.01780	0.2
113.02458	1.0
117.03455	24.4
118.03766	0.9
119.05012	13.5
120.05388	0.3
121.02953	0.6
125.06028	0.2
131.05026	0.2
132.05812	0.4
133.06573	1.4
135.11768	0.2
137.02446	0.7
145.02937	100.0
146.03281	3.1
147.04468	0.6
158.03719	0.2
159.04526	1.0
161.04709	0.4
161.06056	3.5
163.03993	16.4
164.04303	0.5
173.06140	0.2
177.05501	0.9
179.10701	1.3
187.03989	4.9
188.04314	0.3
205.05025	2.9
217.05003	0.4
219.95195	0.2
229.05025	0.2
235.06102	2.3
247.06012	0.4
249.14983	0.9
265.07117	4.7
266.07544	0.3
289.07477	0.2
307.08176	13.2
308.08588	0.6
309.07416	0.2
325.09155	2.0
351.08926	0.4
381.09787	0.5
411.10812	1.9
411.20313	0.3
429.21408	0.4
471.12936	9.7
471.22336	9.2
472.12927	1.1
472.22580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51482	0.3
50.79898	0.3
50.90268	0.3
50.96412	0.3
51.90405	0.3
57.03439	1.0
57.99289	0.3
59.01373	4.3
61.98826	0.7
69.47890	2.6
71.01368	1.0
81.03447	6.5
83.01362	2.9
85.02959	0.4
89.02433	0.5
93.02913	0.5
93.03455	5.6
95.01366	0.4
95.05013	0.6
96.95997	1.0
97.02909	0.3
101.02406	0.6
107.01387	0.7
108.02159	0.6
109.02982	0.6
117.03458	0.7
117.60835	0.4
119.05017	9.6
120.99654	0.9
121.02980	0.3
123.04510	21.1
124.04838	0.6
125.02430	12.5
127.82320	0.3
135.04517	1.3
137.02473	0.4
145.02960	2.7
147.04504	1.2
149.02390	2.0
151.00377	1.8
152.01123	0.5
153.01787	0.4
161.02362	0.5
163.04021	3.0
165.05464	0.3
167.03474	64.3
168.03830	1.9
171.04327	0.4
175.03975	0.3
179.03479	6.7
179.10786	1.1
179.86810	0.3
180.03787	0.5
189.05545	1.4
191.03418	0.7
205.12294	0.4
211.07751	0.4
223.09680	0.4
229.08649	0.7
273.07645	100.0
274.07990	6.4
307.08173	1.1
435.12918	18.3
436.13354	2.0
471.11951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56339	0.4
59.01374	9.3
61.98824	1.7
66.16660	0.5
69.69519	1.2
69.69951	1.4
71.01380	4.0
73.02934	1.2
74.67952	0.3
75.00863	1.0
83.01382	0.4
85.02933	1.4
87.00848	0.4
89.02448	1.4
93.03444	0.8
96.96011	2.2
101.02433	2.4
107.05034	0.5
108.02164	5.0
109.02931	1.9
113.02450	1.5
117.03456	17.3
118.83101	0.6
119.05015	100.0
120.05373	2.5
120.99644	0.8
121.02962	1.2
123.04536	0.6
125.02446	1.5
133.06535	0.5
137.02451	0.9
142.06656	0.6
143.03511	0.5
145.02939	64.6
146.03308	2.2
147.04535	2.9
148.05247	0.7
152.01134	3.0
153.01941	0.8
158.06146	0.9
161.04503	0.7
161.06033	0.8
163.03990	85.7
164.04321	3.7
168.56274	0.4
173.11858	0.5
179.05556	0.6
205.05081	0.6
205.12300	1.7
229.08582	0.4
249.14960	0.6
273.07602	0.7
307.08179	35.0
308.08600	1.4
309.13446	0.9
310.10709	2.4
471.12900	24.7
471.18866	4.6
472.12912	2.6
472.29388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74595	0.2
52.19749	0.2
59.01383	0.4
61.98820	0.6
66.95909	0.3
69.27643	0.2
69.79250	0.8
71.01377	0.5
75.71974	0.2
79.95734	5.9
80.96568	0.3
82.95414	14.1
82.98149	0.2
87.00872	0.2
89.02470	0.3
96.96002	100.0
97.95940	0.2
98.20585	0.4
101.02425	0.2
110.97573	0.5
117.03446	0.3
117.48695	0.2
119.05050	0.2
125.02450	0.3
133.02945	0.2
137.02420	0.5
145.02940	1.6
147.04507	0.2
147.06607	0.3
149.02397	0.2
152.01086	0.2
163.03984	0.7
164.04738	0.5
177.05539	0.4
179.05589	0.3
193.50578	0.2
205.05042	0.3
207.06525	0.2
235.06218	0.2
240.04192	1.2
240.12979	0.2
255.06651	0.3
265.04855	0.4
265.07373	0.2
283.06107	0.7
298.08478	1.0
299.09363	0.4
309.11896	0.8
313.10754	0.5
321.03970	0.2
447.82806	0.2
471.09561	46.7
472.09802	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	470.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20736	0.2
59.01371	0.4
61.98824	100.0
67.35284	0.2
71.01373	0.2
71.17567	0.3
72.13635	0.2
145.02937	0.4
149.50639	0.2
161.02472	0.4
192.52484	0.2
252.45058	0.2
305.73260	0.2
309.17059	0.3
316.35703	0.2
342.44388	0.2
470.26068	0.2
472.92273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83459	0.3
61.98824	100.0
65.00338	0.3
70.09633	1.2
71.64619	0.2
81.03449	2.3
83.01387	0.3
98.19794	0.2
100.17358	0.2
122.03765	1.1
125.02435	2.1
151.00259	0.3
179.90282	0.3
321.27991	0.4
345.27957	0.5
363.28989	3.3
364.29333	0.3
407.27951	48.9
408.28305	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	469.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38873	0.6
55.01865	2.8
57.03439	2.9
58.00581	1.1
59.01378	53.6
64.30419	0.6
69.03448	1.1
71.01376	29.1
71.62943	0.9
72.99319	1.8
73.02940	17.4
75.00880	0.9
77.67104	0.7
83.01385	11.5
85.02945	17.5
87.00864	9.0
89.02441	4.8
93.03441	5.7
95.01369	2.7
96.95979	1.3
97.02946	1.5
99.00895	6.2
101.02438	41.0
103.04028	1.4
104.57915	0.7
113.02440	12.7
113.99575	1.2
117.03454	2.5
119.03498	1.8
119.05014	1.5
123.04517	1.3
125.02421	1.6
129.01865	0.8
137.02441	4.5
143.03423	1.1
145.02951	7.5
145.05040	0.9
147.04477	1.1
151.04018	1.9
159.02998	2.5
161.04549	10.7
163.04001	4.8
163.06013	1.2
176.01205	1.0
177.05621	3.8
179.03435	2.8
191.03455	3.1
239.05676	0.9
263.14975	64.3
264.15308	3.1
268.03781	7.5
269.04413	2.6
271.09814	2.0
290.26248	0.7
290.48593	0.8
291.61215	0.7
323.13449	1.0
399.12982	0.9
409.20761	100.0
410.21124	8.8
431.09354	7.2
433.10382	1.6
469.16245	1.5
469.21280	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	469.3315
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
61.98823	0.4
69.44217	1.8
71.05024	0.7
74.61479	0.2
75.56672	0.2
96.26366	0.2
104.08186	0.2
123.08178	0.3
125.09729	0.5
200.74077	0.2
251.40535	0.2
367.29932	0.5
393.27740	0.4
407.29395	2.6
408.29886	0.3
409.31116	2.9
410.31412	0.4
423.32623	6.0
424.32999	0.9
425.34186	62.1
426.34515	7.5
437.31293	0.3
469.33136	100.0
470.33481	11.8
470.43481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81935	1.0
59.01373	61.8
61.98815	7.6
69.03481	1.3
69.40006	8.9
71.01376	45.2
72.99300	1.2
73.02912	2.6
79.95709	1.8
83.01402	1.7
83.05025	1.9
85.02942	4.7
87.00854	1.9
89.02432	13.6
93.03448	18.9
94.03766	1.7
94.74108	1.2
95.01377	1.1
95.05022	23.4
96.96001	100.0
97.75109	1.1
98.20553	2.2
99.00856	2.1
101.02440	8.7
109.02949	7.7
111.04428	1.8
113.02385	7.6
113.06086	1.3
117.03410	1.5
119.03492	7.2
120.99635	4.0
125.02438	2.5
134.03653	1.2
137.02422	3.3
139.03964	1.7
143.03430	1.5
145.02951	7.1
157.05038	91.7
158.05379	3.2
161.02408	3.2
161.04517	2.6
163.03946	1.9
167.03508	2.0
173.04526	1.5
179.05400	1.7
211.06062	17.3
262.95145	1.2
273.09821	8.1
278.55420	1.2
301.09229	34.2
301.12665	2.0
302.09430	2.0
307.89279	1.3
311.69531	1.3
389.12680	1.1
433.11392	2.8
446.68741	1.2
451.15314	2.0
469.15732	5.9
469.21600	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	469.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	64.4
58.03772	0.9
59.01371	9.5
61.98838	0.8
63.81353	0.5
67.84711	0.4
69.63188	2.7
71.01368	5.1
73.02928	1.2
81.03471	0.8
83.01403	1.3
85.02949	1.8
89.02449	0.6
93.03448	0.7
99.00899	0.8
99.04507	40.7
100.04899	0.9
101.02434	12.1
113.02448	2.0
117.03413	0.5
117.48859	0.5
119.05023	0.8
121.02921	0.8
125.02429	20.3
126.02769	0.5
139.04094	0.5
143.03488	1.2
145.02957	2.6
147.04538	0.6
148.05287	100.0
149.05589	4.0
159.03017	0.8
161.04546	4.8
161.43719	0.5
163.07629	94.9
164.07959	4.0
166.05069	0.5
172.30013	0.5
174.20195	0.5
179.98192	0.4
192.89728	0.4
193.56812	0.5
203.05629	0.6
296.74579	0.5
451.15457	0.8
469.12949	1.5
469.17395	0.6
469.63351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12855	0.7
56.00793	0.6
57.03417	0.8
59.01376	17.4
61.78470	0.8
61.98827	6.2
62.22673	0.7
64.01703	0.7
66.10430	0.7
67.01893	1.0
69.03440	1.1
71.01390	9.0
71.62856	1.3
72.99296	1.1
73.02941	4.4
74.99104	1.1
79.95733	1.2
80.91662	2.2
82.95418	1.1
83.01383	1.3
85.02953	4.9
87.00883	1.6
87.49821	0.8
89.02444	6.5
93.03445	1.4
95.01403	0.8
96.96005	9.1
97.02931	0.8
99.00887	1.1
101.02438	8.6
101.06074	20.8
102.06415	0.9
103.04011	3.9
103.49909	0.7
104.92225	0.8
109.02950	0.9
111.00914	0.9
113.02407	1.9
119.03480	3.4
123.04485	0.8
125.02459	5.6
131.07127	1.5
134.03685	1.1
137.02444	11.2
143.03438	1.1
145.02992	1.2
145.05080	1.5
145.08580	0.8
153.05544	1.0
163.03912	1.8
163.06097	7.6
165.01917	80.8
166.02295	1.8
179.03497	7.4
180.04271	57.0
181.04677	2.3
191.05652	1.8
192.05956	1.1
192.99701	0.7
193.04948	1.4
194.05840	2.2
195.02942	2.4
195.06609	100.0
196.06895	4.2
203.03453	1.3
204.99747	1.4
210.05280	9.9
217.70412	0.8
220.02010	1.9
225.07664	57.6
226.08012	2.7
235.04321	2.5
243.08652	2.2
307.10257	6.2
359.82098	0.9
387.16794	1.3
389.18033	0.9
389.27533	0.7
409.15033	1.2
435.49557	0.8
469.12952	5.3
469.22714	5.2
490.43207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
60.01704	0.7
61.01802	0.6
61.98823	100.0
67.43416	0.4
68.61878	0.3
69.56864	2.4
71.01366	0.9
75.32298	0.4
89.02441	1.2
96.96004	0.7
98.19876	0.8
113.02416	0.5
123.04525	0.9
124.41769	0.3
135.04485	0.3
137.02451	1.6
160.79210	0.3
165.01915	11.9
166.02875	0.3
167.03557	2.0
179.03476	2.0
180.04257	9.2
194.05850	0.8
195.06602	16.2
210.05305	1.3
225.07664	4.7
243.08809	0.7
331.08209	0.4
361.13010	1.1
421.15073	3.0
469.17426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
61.98824	100.0
66.87011	0.6
69.60269	0.6
71.24891	1.5
78.00371	0.5
78.57404	0.5
81.03442	3.7
83.01405	0.6
94.96827	0.6
125.02441	4.3
146.95868	0.6
162.07874	0.5
199.67334	0.7
295.26563	0.8
361.27316	5.0
405.26401	49.3
406.26654	3.1
429.18140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38387	0.1
58.66082	0.1
59.01384	1.1
61.98820	1.0
71.01373	0.5
71.70937	0.1
72.92667	0.2
81.03452	0.6
83.01382	0.2
89.03964	2.0
93.03430	0.3
95.05019	0.2
96.96016	0.3
98.32368	0.1
101.02446	0.2
104.02664	0.3
105.03447	3.5
105.38900	0.2
109.02955	0.2
113.02425	0.2
121.02928	0.5
125.02426	0.2
133.02939	9.4
134.03299	0.3
137.02415	0.2
145.02950	0.4
147.04506	2.2
148.01622	0.5
149.02415	1.1
161.02406	1.6
161.04556	0.2
176.01137	1.1
177.01901	100.0
178.02245	3.4
179.10858	0.1
274.45630	0.2
307.15503	0.6
419.79971	0.2
430.70850	0.2
469.11304	9.7
469.20789	0.3
470.11633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23032	0.6
58.75409	0.6
59.01377	4.0
61.98824	35.1
66.06378	0.6
69.88044	3.5
71.01375	1.6
74.99110	0.7
76.14555	0.6
77.03800	0.5
78.55692	0.6
86.94687	0.6
89.02434	1.1
96.96015	2.2
98.19957	1.1
109.02921	1.4
113.02415	0.9
123.04493	1.0
135.04503	1.3
137.02429	11.4
151.00366	1.0
151.03978	1.5
164.92546	0.7
165.01913	71.9
166.02377	2.2
167.03423	1.4
167.39337	0.7
168.03828	0.8
179.03487	13.7
180.04260	51.1
181.04814	2.3
181.31982	0.6
194.05862	3.4
195.06598	100.0
196.06938	3.8
199.97678	0.6
210.05312	6.7
225.07666	34.6
226.08026	1.4
243.08748	3.8
289.07205	1.5
301.95679	0.6
331.08261	1.5
346.10416	1.1
359.77350	0.6
361.12781	4.2
421.14935	16.1
422.15149	0.9
469.18005	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	467.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59077	1.3
57.03444	14.0
58.94000	1.1
59.01372	93.9
59.57464	1.4
61.98819	1.8
62.77938	1.4
67.01872	2.5
69.03444	1.6
70.57738	3.7
71.01374	31.7
72.74494	1.2
72.99306	2.0
73.02939	19.2
81.03466	1.8
83.01395	1.9
84.69481	1.8
85.02950	16.5
86.00066	1.3
87.00863	8.9
87.04499	2.0
89.02435	31.2
93.03458	14.2
93.26934	1.2
94.03806	1.6
99.00835	2.1
99.04499	9.5
101.02432	44.3
103.03989	17.8
109.02950	3.6
111.04527	4.3
113.02431	6.6
115.03986	6.7
119.03477	12.9
120.99664	2.7
121.02963	1.3
125.02414	9.2
127.04011	3.7
131.03436	8.6
137.02464	1.9
143.03484	10.9
145.05074	6.0
145.07689	2.3
153.01918	3.3
160.06346	6.2
161.04558	3.9
161.07188	18.3
163.06099	58.4
164.06438	2.7
171.10283	3.8
173.04491	9.8
175.08788	8.9
177.01866	1.7
179.05545	3.8
187.07460	1.7
188.22237	1.4
189.01889	3.4
189.06674	32.1
190.07002	1.5
191.05589	100.0
192.05963	3.6
200.04678	1.3
201.10309	3.0
203.08217	12.6
203.11926	3.5
205.07098	19.2
211.23555	1.3
213.09003	1.9
215.06992	1.7
217.01418	4.4
229.09692	8.1
231.10191	2.8
239.55251	1.3
242.35464	1.2
255.02603	1.5
257.08221	5.0
261.13519	2.0
265.09329	6.1
272.02911	1.6
273.02939	3.2
274.03320	1.5
275.03421	1.8
275.09189	2.9
302.03259	4.7
303.03860	2.6
304.03912	4.9
305.04877	1.8
305.11404	23.1
306.11658	2.3
323.12433	45.8
324.12531	2.3
357.06128	4.7
365.13394	4.2
369.73438	1.4
407.19156	29.9
408.19681	3.2
449.14529	9.9
463.29514	1.4
467.10526	9.8
467.15585	7.6
467.20322	6.2
467.28333	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	467.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.3
59.01101	1.6
59.01377	30.8
61.98809	4.7
71.01379	32.2
71.42307	2.3
72.99306	2.0
73.02930	5.0
73.74357	1.2
75.00847	1.7
81.07098	2.4
83.04990	2.9
85.02936	6.2
89.02460	8.4
93.03436	3.8
95.04963	1.5
95.74505	1.5
96.95993	2.2
97.02921	6.1
98.03720	3.9
99.00865	2.3
101.01839	1.3
101.02438	8.9
107.08633	1.4
109.02951	2.6
113.02415	6.2
117.03500	2.3
119.03487	3.7
120.05787	1.9
121.02920	3.3
121.06576	4.4
121.10223	43.9
125.02441	11.4
125.56001	1.3
134.28151	1.3
137.70372	1.3
145.02904	6.8
145.10190	9.4
151.07611	2.2
155.03548	2.0
156.12036	1.4
157.05002	1.5
161.04538	1.8
161.09702	7.0
163.11272	49.7
164.11537	2.6
165.09198	56.7
166.09537	1.7
179.05531	1.6
179.10789	10.5
191.05617	2.0
207.10240	52.4
237.11174	6.9
255.90590	1.2
267.12354	10.2
319.10324	15.6
467.19101	100.0
467.33313	7.0
468.19385	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	467.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61520	0.7
59.01373	100.0
60.01699	1.3
61.98824	4.8
71.01378	1.8
78.63661	0.7
79.97209	0.6
82.49993	0.7
83.05020	0.8
85.02951	1.2
85.22124	0.7
89.02431	1.2
93.03443	2.0
96.96074	0.7
101.02439	1.1
103.05502	0.8
113.02433	0.9
117.03488	2.3
119.05029	1.7
121.02948	2.6
123.04527	1.0
125.02432	2.4
127.94249	0.7
135.04552	2.0
137.02431	2.1
145.02946	9.2
147.04506	78.3
148.04878	2.9
171.10271	1.4
171.13925	1.1
174.01700	1.5
179.03526	0.9
191.05586	0.9
201.01012	0.7
201.11275	0.9
209.11880	2.3
229.56339	0.9
231.03178	0.8
296.83865	0.7
407.17160	1.2
429.15833	1.2
430.53070	0.9
467.15601	1.9
467.22470	3.2
467.33310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
57.03451	7.3
57.17094	1.0
59.01378	9.5
60.99301	5.5
61.24736	1.3
61.98811	3.0
65.80037	1.1
67.01887	14.3
68.99828	0.9
69.03456	12.3
69.62815	6.1
71.01373	26.0
71.05002	2.7
72.99320	1.0
73.02921	6.3
81.03447	4.1
83.01375	3.0
83.05020	2.6
85.02940	12.6
87.00865	19.1
89.02428	2.3
93.03447	100.0
94.03754	1.2
95.01375	4.0
96.96007	8.5
97.02956	1.2
97.06560	1.1
99.00890	5.5
99.04498	1.3
101.02435	15.1
108.02131	1.1
109.02928	5.9
111.04504	14.0
113.02441	10.4
117.03399	2.1
123.00877	22.8
123.04391	1.3
124.01651	81.4
125.02436	2.1
129.01961	2.7
133.02933	4.7
134.03731	12.5
135.04514	10.9
137.02391	4.1
138.03210	5.0
139.03996	52.6
139.11276	28.6
140.04318	1.6
143.03455	3.1
144.43533	1.2
145.02948	2.9
147.04393	1.3
153.01888	5.7
155.03455	3.7
159.02945	3.3
160.01637	8.1
161.02498	7.8
161.04529	23.7
162.04935	1.0
173.04523	50.0
174.04869	1.4
175.03958	3.6
177.01933	2.4
178.02716	7.8
179.03468	4.2
183.10236	79.9
184.10558	3.7
188.36003	1.2
191.05586	45.8
192.05800	1.2
208.68576	1.1
232.10753	1.0
257.08182	2.8
270.72836	1.1
275.09164	2.0
283.08069	1.5
293.10327	1.8
301.09338	1.5
305.42444	1.0
351.07022	2.3
352.08035	2.1
431.13388	4.6
449.14465	44.1
450.14774	4.3
467.14706	38.0
468.15936	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	467.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24780	1.1
57.03443	37.7
59.01093	1.7
59.01373	25.4
60.29205	1.0
61.39115	1.0
61.98843	1.2
71.01375	10.7
72.20419	1.0
73.02938	2.5
83.01385	1.2
85.02936	4.2
86.45004	1.0
87.00866	2.2
89.02439	7.9
91.75616	1.1
93.03461	6.0
93.06405	1.0
99.04513	19.8
99.65676	1.0
101.02425	14.3
109.02959	1.3
111.04485	1.7
111.44446	1.1
113.02409	1.4
116.78525	1.0
119.03483	1.8
125.02435	9.9
137.02347	1.4
144.94548	0.9
145.07703	3.8
160.06361	13.5
161.04521	9.0
161.07182	44.2
163.06186	1.2
171.10352	1.8
173.04567	2.7
173.10683	1.3
175.08733	31.1
185.10864	1.5
187.08835	5.2
189.06667	73.5
190.06998	1.9
191.05586	47.9
192.05917	1.5
201.10368	7.4
202.02994	1.2
203.08243	33.2
203.11926	8.2
204.08630	1.4
229.09814	17.0
257.08194	4.3
277.11914	2.6
287.16537	1.6
305.11383	65.9
306.11768	3.4
323.12427	100.0
324.12540	6.4
365.13461	15.4
402.91534	1.0
405.16409	2.0
449.14224	2.1
465.88116	0.9
467.15454	7.7
467.28229	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	467.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
57.03451	7.3
57.17094	1.0
59.01378	9.5
60.99301	5.5
61.24736	1.3
61.98811	3.0
65.80037	1.1
67.01887	14.3
68.99828	0.9
69.03456	12.3
69.62815	6.1
71.01373	26.0
71.05002	2.7
72.99320	1.0
73.02921	6.3
81.03447	4.1
83.01375	3.0
83.05020	2.6
85.02940	12.6
87.00865	19.1
89.02428	2.3
93.03447	100.0
94.03754	1.2
95.01375	4.0
96.96007	8.5
97.02956	1.2
97.06560	1.1
99.00890	5.5
99.04498	1.3
101.02435	15.1
108.02131	1.1
109.02928	5.9
111.04504	14.0
113.02441	10.4
117.03399	2.1
123.00877	22.8
123.04391	1.3
124.01651	81.4
125.02436	2.1
129.01961	2.7
133.02933	4.7
134.03731	12.5
135.04514	10.9
137.02391	4.1
138.03210	5.0
139.03996	52.6
139.11276	28.6
140.04318	1.6
143.03455	3.1
144.43533	1.2
145.02948	2.9
147.04393	1.3
153.01888	5.7
155.03455	3.7
159.02945	3.3
160.01637	8.1
161.02498	7.8
161.04529	23.7
162.04935	1.0
173.04523	50.0
174.04869	1.4
175.03958	3.6
177.01933	2.4
178.02716	7.8
179.03468	4.2
183.10236	79.9
184.10558	3.7
188.36003	1.2
191.05586	45.8
192.05800	1.2
208.68576	1.1
232.10753	1.0
257.08182	2.8
270.72836	1.1
275.09164	2.0
283.08069	1.5
293.10327	1.8
301.09338	1.5
305.42444	1.0
351.07022	2.3
352.08035	2.1
431.13388	4.6
449.14465	44.1
450.14774	4.3
467.14706	38.0
468.15936	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	467.155
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
57.03419	2.8
59.01369	13.0
60.99294	4.8
61.98793	4.3
67.01885	13.7
69.03445	4.8
71.01379	11.2
71.63566	1.3
72.09578	1.0
72.99258	1.9
73.02921	2.2
74.99070	1.1
80.91631	1.0
81.03425	3.2
82.95354	1.8
83.01353	1.3
83.04993	2.7
85.02512	0.9
85.02937	11.5
87.00861	21.3
89.02409	4.5
93.03448	91.7
94.03749	2.3
95.01370	1.0
96.95966	3.7
97.02893	1.2
98.95547	1.0
99.00850	2.1
99.04481	1.8
101.02440	5.5
108.02151	1.4
109.02930	6.5
111.00827	1.4
111.03808	1.2
111.04502	16.1
113.02375	4.0
117.03436	2.0
119.04961	3.2
120.99653	1.9
121.02837	1.1
123.04510	1.6
125.02370	1.5
127.03973	2.7
129.01898	2.3
131.03522	1.3
133.02899	1.6
134.03711	11.8
135.04456	4.2
136.01569	2.8
137.02438	7.8
143.03418	1.5
145.02928	9.0
151.03934	2.5
152.01094	1.8
155.03386	2.2
160.01649	1.9
161.02333	2.8
163.03926	4.8
167.03461	2.1
171.10297	5.4
173.04521	56.8
174.04823	1.5
174.06656	0.9
175.03870	3.1
177.01826	2.4
178.02603	4.8
179.03435	1.9
187.07549	1.3
189.01875	2.3
191.05582	100.0
192.05869	3.1
205.04918	1.7
217.01250	2.8
231.10091	3.0
235.06032	1.9
247.10658	1.4
255.02859	1.3
256.03384	1.4
257.08182	5.8
265.06985	4.3
275.09171	1.9
293.10034	4.0
305.11139	3.1
325.09134	1.6
335.20612	1.7
351.38303	1.2
357.05972	2.6
370.08710	1.6
407.07431	3.7
423.12915	1.6
449.14413	21.9
450.14572	3.0
455.67383	1.2
467.15146	59.5
468.15689	5.0
477.65640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76898	0.9
57.03218	0.8
57.03445	9.2
59.01097	0.8
59.01378	11.1
61.98803	0.9
67.01877	4.7
69.03445	1.3
71.01380	7.1
72.99298	7.8
73.02920	1.0
80.91669	2.1
81.03461	1.0
83.05009	1.0
85.02940	7.0
87.00877	7.1
89.02425	3.4
93.03448	28.1
96.95974	1.5
97.02923	0.8
99.04538	6.1
101.02438	5.4
108.02157	0.7
109.02955	1.9
111.04502	4.7
113.02433	1.9
119.03487	1.2
125.02445	3.9
125.06047	1.3
127.03975	1.1
127.80066	1.0
131.07137	3.4
137.02400	2.6
138.13394	0.7
145.07713	1.6
153.01999	0.8
155.03500	1.5
158.03735	0.8
159.04431	1.2
160.06390	4.8
161.02466	0.8
161.04515	3.0
161.07205	16.0
163.04001	0.9
173.04523	15.4
173.05977	1.3
173.10809	1.1
175.07562	0.8
175.08784	9.2
183.53589	0.8
184.52679	0.7
187.07501	6.6
187.09042	1.1
189.06683	27.5
190.06400	1.1
191.05598	100.0
192.05954	3.7
201.10341	2.9
202.06329	1.1
203.08333	10.2
203.11929	2.2
205.08519	0.9
213.09184	1.8
217.01361	1.2
219.10277	2.0
224.92444	0.7
229.09775	6.0
231.10193	4.7
249.11287	1.0
257.08179	12.5
275.09180	5.1
277.11984	1.0
293.10349	5.3
305.11386	16.6
306.11481	0.8
323.12430	39.7
324.12634	1.6
365.13388	1.9
449.14526	14.9
450.14807	1.5
467.15442	27.7
467.21600	1.8
467.28516	2.7
468.15894	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	467.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61227	0.7
52.98668	0.7
53.99333	0.7
57.03460	2.3
58.29566	0.6
59.01375	9.1
59.01625	0.8
60.99313	4.2
61.98823	4.3
64.89404	0.7
67.01891	12.2
69.03478	2.9
69.24702	8.0
71.01374	8.7
72.99321	1.3
73.02964	2.1
74.99096	0.9
80.91736	0.9
81.03481	3.0
82.95433	0.7
83.01401	1.2
83.05040	2.4
85.02942	10.4
87.00870	18.9
89.02480	2.4
91.68599	0.8
93.03452	91.2
93.83656	0.7
94.03805	2.3
96.95999	3.6
98.20607	1.6
99.00900	1.9
99.04549	1.7
101.02462	2.7
108.02197	1.5
109.02934	4.4
111.04514	13.2
113.02455	3.3
117.10615	0.7
118.98058	0.9
119.05067	2.4
120.55295	0.7
120.99678	1.2
121.03014	1.2
123.04517	1.3
124.04063	1.4
125.02478	2.1
127.04021	1.4
129.01947	2.7
133.02965	1.2
134.03737	13.3
135.04530	3.8
136.01660	2.0
136.99060	1.1
137.02438	8.5
139.47493	0.9
143.03508	1.3
145.02942	6.7
151.03996	2.1
152.01123	1.0
155.03496	3.1
159.04285	0.7
160.01675	3.0
161.02455	1.3
161.04575	1.0
161.05998	1.0
163.03993	3.0
167.03488	1.1
171.02943	1.3
171.10248	4.0
173.04535	52.6
174.04836	1.7
174.06898	0.7
175.03993	3.8
177.01891	1.8
178.02696	2.4
179.03502	1.6
187.07588	2.5
189.01895	1.8
191.05592	100.0
192.05907	2.4
205.04980	1.2
215.07172	0.7
217.01384	1.6
231.10231	2.0
235.06056	1.4
247.10809	4.9
257.07938	3.7
265.07147	2.9
275.09451	3.8
293.10391	3.7
303.03888	0.8
305.11450	10.2
335.20578	0.9
357.06082	1.9
370.08771	1.3
407.07336	1.3
429.08292	1.5
449.14481	19.1
450.14755	2.1
467.15274	57.5
467.28616	2.5
468.15399	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	467.1552
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
51.49264	0.8
57.03429	2.4
59.01376	6.2
60.15294	0.9
60.99292	1.7
61.98800	1.2
67.01882	7.2
68.67850	0.9
69.03452	3.4
69.26472	10.2
71.01373	14.4
73.02921	3.3
81.03444	2.4
83.01388	2.0
83.05032	1.7
84.21877	0.8
85.02931	6.4
87.00868	24.4
87.04472	1.1
88.90092	1.1
93.03449	89.5
94.03803	2.6
95.01364	2.6
96.95959	1.8
99.00861	2.1
99.04453	1.2
101.02430	4.8
109.02965	1.7
111.04507	6.7
113.02462	6.4
117.03423	3.5
119.04967	3.4
121.02946	2.4
123.00869	14.5
123.04485	3.6
124.01645	27.5
125.02395	1.5
131.81926	0.9
132.02142	9.6
133.02914	3.7
134.03737	13.8
135.04520	5.9
137.02428	55.2
138.03185	1.7
139.03992	21.6
139.11276	6.0
143.03462	1.1
145.02943	16.4
153.01894	1.8
154.02669	1.6
159.02901	1.0
160.01648	49.9
161.02420	4.8
161.04506	5.9
163.03986	25.2
173.04535	25.6
175.03976	50.5
176.04437	2.3
177.01877	1.9
178.02663	4.5
179.03412	2.8
183.10239	22.3
189.03819	1.0
189.05556	2.2
191.05573	31.1
192.05946	1.3
193.05002	7.9
242.67508	0.9
253.37418	1.0
255.76988	0.9
256.01096	1.0
269.17551	3.4
307.08112	4.3
337.09396	1.2
352.08163	1.8
370.08716	1.0
379.13940	2.0
397.14856	9.3
431.13068	4.2
449.14487	22.0
450.14825	1.8
467.15375	100.0
468.15646	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	467.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.4
57.07010	0.3
57.62779	0.3
59.01377	4.6
61.98822	5.1
69.03457	0.4
69.57896	0.7
69.58305	1.4
70.87653	0.3
71.01385	2.7
73.02954	1.0
74.99087	0.8
78.95892	0.4
81.03450	1.6
83.01374	4.0
84.52588	0.4
85.02950	1.1
87.00863	0.7
89.02431	2.0
93.03445	0.6
94.16006	0.4
95.05018	1.0
96.95425	0.7
96.96003	7.5
97.02946	3.3
98.20590	0.7
99.00881	1.1
101.02437	1.4
109.02946	0.9
113.02422	1.1
119.03503	0.4
119.05010	1.4
121.02935	1.0
123.00958	0.6
123.04536	0.7
125.02435	100.0
126.02757	1.9
135.04590	0.4
136.99127	0.6
137.02426	1.4
137.06064	2.4
138.97081	0.3
139.04002	2.4
139.04951	0.4
149.02425	10.2
149.05983	0.4
150.03180	0.5
151.03952	0.6
153.01945	0.8
159.04584	0.4
161.04539	1.0
163.03969	3.3
165.01875	0.8
165.05527	0.8
167.03531	3.8
169.01361	0.4
177.01860	0.7
177.05620	0.6
179.03511	1.4
181.05020	5.4
187.04007	0.5
191.05605	1.8
195.03044	0.5
195.06654	0.9
205.04990	1.2
207.10236	0.5
225.04016	5.8
249.03905	2.2
267.05084	0.5
285.03949	0.5
286.04443	0.6
287.04547	1.0
287.07520	0.6
289.07150	0.7
302.68906	0.4
305.06039	0.6
387.09286	52.3
388.09702	3.8
406.21359	0.5
432.52936	0.4
467.04987	18.2
467.11887	2.3
467.17307	0.6
468.05463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.2
59.01642	0.2
61.98826	100.0
66.04891	0.2
69.65530	0.6
69.65958	0.8
71.01366	0.5
74.99101	1.1
85.02931	0.2
89.02458	0.6
96.96014	0.4
101.02472	0.3
113.75288	0.2
133.44437	0.2
136.99126	1.3
140.70653	0.2
145.02933	0.5
161.04556	0.3
191.05629	0.8
197.69554	0.2
241.14427	0.4
242.14824	0.7
243.14964	0.4
244.15251	0.3
406.20938	1.0
430.14218	0.3
449.75702	0.2
466.19986	0.3
467.15872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98827	100.0
70.74127	0.4
70.74506	0.7
71.01411	0.5
87.22969	0.2
89.02439	0.3
110.25198	0.2
125.31540	0.3
139.07623	0.2
143.78688	0.3
179.21312	0.3
350.74579	0.2
385.12418	0.3
406.21057	1.0
467.12207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47796	0.6
57.56389	0.5
59.01373	17.7
69.56306	2.7
69.56731	1.4
71.00986	0.8
71.01378	14.8
72.99300	0.6
73.02938	1.6
81.03461	0.5
81.96719	0.6
83.01363	1.3
83.05016	0.8
85.02914	2.8
89.02432	10.7
89.60971	0.5
93.03443	5.1
95.01370	0.9
95.05016	1.2
99.00893	1.4
101.02426	6.7
106.04204	0.9
109.02908	0.5
113.02447	6.0
117.03448	10.6
118.04243	1.3
119.03529	4.5
119.05011	81.4
120.05359	2.4
121.02940	7.0
121.06643	0.5
123.04497	1.8
126.04832	0.5
131.05026	3.3
132.05795	8.1
133.02910	1.5
133.06583	32.2
134.06938	1.0
135.04541	1.2
143.03511	0.7
143.05035	0.7
145.02934	57.5
146.03387	1.7
147.04521	4.2
149.06061	1.8
157.05061	1.3
159.04547	3.0
161.06058	70.5
162.03244	3.0
162.06332	2.8
163.03987	100.0
164.04315	3.7
175.04015	0.5
177.05540	41.8
178.05910	1.8
184.07439	0.5
187.04001	2.3
191.05620	0.6
191.07127	0.6
205.05020	75.4
206.05379	3.6
209.11780	2.1
210.12128	2.6
211.12395	1.8
217.05096	0.7
235.06075	25.8
236.06444	1.1
259.06079	0.9
259.41980	0.6
265.07129	37.6
266.07404	2.4
307.08328	0.9
319.10269	62.7
320.10504	3.3
325.09171	2.0
348.80313	0.6
393.79691	0.6
421.14856	2.1
465.13965	95.5
466.14282	9.3
466.20358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01562	0.4
54.36521	0.3
57.03445	1.1
59.01375	100.0
60.01702	0.6
61.98830	1.1
69.67091	2.5
71.01374	5.6
85.02958	1.3
86.16874	0.4
87.00882	0.4
89.02441	10.1
97.37462	0.4
101.02437	3.5
113.02434	2.4
119.03497	4.8
125.34714	0.4
143.03531	1.2
146.18800	0.4
149.04529	0.7
149.09747	0.8
153.09212	0.7
161.04498	2.4
167.10770	1.4
179.05605	4.5
405.21182	5.1
406.21780	0.6
465.23584	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01367	5.6
61.98822	3.8
63.02385	1.4
65.00320	9.2
71.01376	1.6
71.62981	0.6
78.95879	1.6
80.02667	1.1
81.03435	0.6
82.91916	0.5
83.01374	4.7
85.02941	0.6
93.03417	0.6
95.01340	0.7
96.96001	1.9
100.13187	0.6
101.02424	0.6
106.80349	0.6
107.01381	14.0
107.05010	0.9
108.02177	6.6
109.02937	1.4
110.69998	0.6
110.70784	0.6
111.00878	0.9
119.05040	0.7
121.02934	1.7
123.04510	1.6
124.01659	1.2
125.02441	7.9
132.02147	0.6
133.02974	3.3
134.03735	11.0
135.04514	34.9
136.01657	5.9
136.04846	1.1
137.02426	3.1
139.04019	0.7
143.05009	1.1
145.02905	3.6
146.03717	5.4
147.04492	3.8
149.06088	5.0
150.31395	0.6
151.00356	43.7
152.00781	1.5
152.99512	1.7
153.05528	0.9
155.05034	4.1
155.10791	0.7
157.02927	0.7
158.03654	1.0
159.04488	1.0
160.01671	3.2
161.02377	2.1
161.04826	0.8
161.06004	5.0
162.03130	0.8
163.04016	0.9
164.01129	10.8
164.04747	2.9
165.01950	3.6
165.05409	0.6
167.03543	0.7
169.01389	1.2
169.06534	0.8
171.04568	2.9
173.02357	1.2
173.06096	0.7
174.03174	6.3
175.04015	7.4
176.01157	0.9
176.96577	0.5
177.01903	3.5
177.05475	1.3
179.07153	6.5
185.02419	0.8
185.06021	2.0
187.03981	2.9
188.04692	0.9
189.05556	2.4
195.04393	0.8
196.00133	9.8
197.06018	1.6
198.03177	2.0
199.03983	24.4
200.04446	1.2
201.01935	5.6
201.05391	0.6
202.02187	0.7
211.03909	1.1
213.05531	4.4
215.03557	5.7
216.04240	1.7
217.04967	4.9
229.05019	2.0
239.03290	1.5
240.04128	1.7
241.05013	7.9
242.02156	0.7
242.05693	2.7
243.02957	1.4
257.04517	12.6
258.05154	2.0
267.02893	1.2
268.03656	0.7
269.04355	0.9
280.07684	0.8
283.09753	1.1
285.04013	100.0
286.04596	14.5
287.05615	3.5
299.05356	0.8
301.07199	2.0
313.10800	0.9
339.08606	1.6
435.10754	11.8
436.11081	1.1
447.10745	8.6
448.11038	1.3
465.11887	41.6
466.12256	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.0
57.23362	0.6
59.01374	3.9
59.74883	0.5
60.27784	0.7
61.98831	3.2
63.02383	2.3
65.00320	9.7
70.17119	2.2
73.02923	0.8
78.95881	1.4
80.02665	1.1
83.01384	5.1
95.01366	0.9
96.95977	1.6
98.20007	1.1
101.02399	1.4
107.01383	14.4
108.02187	6.5
108.99208	0.7
109.02956	1.1
111.00851	1.0
111.06783	0.5
119.04990	1.5
119.18773	0.7
119.63972	0.8
121.02898	0.7
123.00877	0.8
124.01654	1.6
125.02425	6.7
131.04994	0.8
133.02940	5.6
134.03745	10.2
135.04514	34.0
136.01640	5.7
136.04836	0.8
137.02412	1.1
143.05006	0.9
145.02892	3.1
145.67642	0.7
146.03746	6.2
147.04485	3.3
149.02412	0.9
149.06082	3.5
151.00348	48.6
152.00806	2.0
152.99599	1.2
155.04977	3.8
158.03722	0.9
159.04477	1.6
160.01653	2.1
161.02438	3.6
161.04771	0.9
161.05984	4.1
162.03172	0.9
163.03970	1.1
164.01144	13.1
164.04767	3.0
165.01877	2.6
167.04964	1.3
169.01450	1.0
171.04515	3.1
173.02362	1.7
173.06009	1.2
174.03172	7.3
175.03960	6.3
177.01869	3.2
177.05524	1.0
179.07115	6.6
185.02417	0.8
185.06013	2.8
187.03981	2.9
188.04802	0.8
189.05580	2.9
196.00107	11.7
196.05212	0.9
197.06062	1.6
198.03204	2.3
199.03973	26.7
200.04507	1.7
201.01901	6.0
211.03929	0.9
213.05486	4.3
215.03468	5.5
216.04057	1.2
217.05072	3.5
229.05057	0.9
239.03372	1.3
240.04114	1.2
241.05035	9.0
242.05762	3.0
243.02910	1.6
257.04517	12.6
258.05243	2.3
285.04007	100.0
286.04620	14.8
287.05420	3.7
299.05505	0.9
301.07224	1.6
313.10876	0.9
339.08762	3.5
374.94205	0.7
414.79874	0.7
435.10788	9.7
436.10907	1.5
447.10715	6.2
448.11078	1.2
465.11838	47.8
465.32483	1.0
466.12140	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	465.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.1
59.01376	21.0
61.98836	1.3
63.02414	0.9
65.00317	3.2
66.79792	0.7
67.01880	0.8
69.42884	3.1
69.43306	3.3
71.01369	5.6
71.21729	0.7
82.90778	0.9
83.01377	5.7
85.02932	1.9
89.02441	9.0
93.03447	1.5
95.01374	1.7
95.05007	0.9
101.02433	4.1
107.01390	5.4
109.02977	4.3
113.02414	4.3
118.27381	0.8
119.03468	3.7
120.52369	0.7
121.02969	1.1
123.04523	4.9
124.01637	1.0
125.02436	100.0
126.02766	2.3
131.01364	1.2
137.02438	4.6
137.40999	0.8
139.03976	4.0
143.03534	1.1
149.02434	14.1
150.03265	1.1
151.00356	31.0
151.03983	2.3
152.01173	3.8
153.00671	1.3
153.01927	26.8
161.02409	1.4
161.04585	1.6
163.00308	0.9
163.03992	1.2
165.01903	1.1
166.02689	1.1
167.03490	2.9
169.01469	1.0
171.04503	1.0
173.06004	1.4
174.03212	2.4
175.00362	5.3
175.03975	10.2
176.01082	0.9
177.01915	20.3
178.99850	19.6
179.03464	1.0
179.05568	3.1
180.00157	1.2
181.01408	14.4
188.04785	2.1
189.05547	4.5
191.03470	2.1
191.05487	0.9
193.01375	1.1
193.05078	1.5
195.02950	2.3
199.04068	4.0
201.01877	1.4
205.01385	1.4
213.05566	0.9
217.05000	5.7
231.06555	1.1
239.49893	0.8
241.05128	3.9
243.15982	1.5
256.03751	1.0
257.04556	1.6
259.06061	3.3
275.02603	1.2
275.05582	23.8
276.05960	1.4
285.04016	53.8
286.04413	3.8
299.05563	7.3
303.05069	95.1
304.05463	5.7
309.03943	1.7
313.05771	1.3
327.05130	1.8
341.05099	8.0
343.06738	7.1
386.60974	1.0
405.21274	13.7
437.10873	3.4
447.09473	4.6
465.10306	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80189	0.3
56.62054	0.3
59.01376	2.8
61.98824	100.0
62.98518	0.4
63.99270	0.5
69.68009	0.8
69.68430	1.3
71.01373	0.6
87.00893	0.4
88.62447	0.3
98.20596	0.5
101.02415	0.3
109.02920	0.4
113.02473	0.4
125.02460	0.8
125.86717	0.3
130.46346	0.3
137.02464	0.6
145.02872	0.5
165.01840	0.5
235.72456	0.3
272.02780	0.6
300.03250	0.3
301.03189	1.0
302.03888	0.5
464.09045	1.0
465.21600	0.5
472.14056	0.3
482.31998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63812	0.3
59.01374	2.6
61.98824	100.0
65.17950	0.4
71.01387	0.4
71.63341	0.5
73.02940	0.4
85.02947	0.3
89.02459	0.5
116.61744	0.3
117.03469	1.7
119.05042	1.0
145.02942	7.2
146.29515	0.4
163.04027	1.0
209.11798	0.5
210.12135	0.4
301.03210	0.9
420.19250	0.7
429.15469	4.9
464.08911	1.0
465.09225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
55.01850	0.6
57.03175	1.1
57.03442	12.0
59.01374	4.7
61.98830	1.1
65.00323	2.9
68.99841	0.7
69.37634	0.7
69.38039	3.8
71.01380	2.5
73.02953	0.7
75.00878	1.8
78.91904	1.1
79.72367	0.5
81.03466	0.7
83.01386	4.2
85.02953	2.3
89.02457	1.8
93.03465	1.0
95.01365	4.1
96.96012	0.7
101.02449	1.1
107.01382	3.1
109.02969	3.1
111.00886	1.5
113.02437	0.8
119.03495	0.6
121.02954	2.3
123.00900	2.7
123.04521	3.1
124.01650	7.2
125.02441	100.0
126.02776	3.2
133.02910	2.9
135.04530	0.7
137.02426	3.2
139.00420	0.7
139.03987	1.4
145.02975	1.1
146.78941	0.5
147.04482	1.1
149.02458	4.0
149.05989	0.5
150.03224	2.8
151.00365	11.4
151.04019	6.2
152.01157	15.0
153.01947	6.5
159.04491	0.7
161.06100	0.5
163.00323	1.6
163.03984	1.2
165.01996	0.6
165.05646	0.6
166.02580	0.6
167.14929	0.5
171.04433	1.0
172.05289	0.9
173.06085	1.0
174.03246	1.5
175.03964	5.7
176.01137	2.6
177.01958	5.5
178.99849	8.0
181.01421	1.1
188.04797	1.9
189.05540	5.7
191.03596	2.6
191.05576	2.2
191.07133	1.0
193.01392	1.5
193.05037	2.7
199.03967	1.8
201.01912	1.2
201.05403	0.5
203.07101	0.7
213.05513	1.5
215.07135	1.2
216.04102	0.8
217.05020	9.8
219.02936	0.6
225.93263	0.5
226.89931	0.7
231.06572	3.4
233.04520	0.6
235.06003	0.7
241.05031	2.5
243.02927	1.1
257.04553	1.3
259.06085	14.2
260.06412	1.5
267.03146	0.9
274.04907	2.5
275.05579	8.5
276.05591	0.6
284.03342	1.3
285.04031	28.3
286.04330	1.8
303.05042	12.9
303.21695	1.1
304.05484	1.1
355.06952	0.6
421.11163	1.6
437.10840	17.1
438.11337	1.5
447.09265	9.4
448.09698	0.7
465.10284	85.3
465.27386	1.9
466.04330	1.1
466.10547	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	463.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
57.97311	1.0
59.01382	4.8
61.98832	5.3
71.62279	1.6
73.58592	1.1
77.36301	0.8
78.95889	5.7
96.96004	2.4
110.98521	4.0
113.09691	2.3
125.02464	3.4
151.00359	1.2
152.99554	1.0
167.01129	1.9
168.79439	1.2
179.14395	1.2
185.02171	4.7
195.13885	15.6
217.00276	3.6
243.02950	1.9
249.24039	1.1
255.02950	3.3
271.02396	6.7
272.09363	0.9
277.21735	14.3
285.04059	2.0
286.04361	2.0
287.04578	3.3
294.21732	1.1
295.22748	100.0
296.23087	5.8
300.02719	14.7
301.03488	10.0
302.04129	1.1
463.08844	12.6
463.24637	26.2
463.31232	1.3
464.24966	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	463.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	11.5
61.98782	0.1
66.18291	0.1
77.21526	0.1
81.03411	0.1
83.01383	0.7
84.84063	0.1
98.19836	0.2
107.01352	0.1
125.02428	100.0
126.02757	2.0
128.13506	0.1
138.27267	0.1
222.23042	0.1
236.32216	0.1
249.90515	0.1
271.02374	0.1
293.24957	0.5
294.57593	0.1
300.02875	0.2
301.03629	0.1
309.75443	0.1
445.26208	0.2
463.08856	0.3
463.26987	2.0
464.27597	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	464.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78255	0.4
56.92467	0.5
59.01373	2.7
61.98826	100.0
69.29871	0.7
69.30278	3.8
71.01385	1.4
73.02998	0.5
76.02371	0.5
85.02961	0.7
89.02443	1.2
96.96001	0.6
101.02456	1.0
104.24518	0.4
113.02429	0.6
119.03478	0.7
121.02953	0.5
163.89220	0.5
167.10745	0.7
191.05598	3.9
246.73453	0.6
272.11377	0.5
273.07751	1.0
314.84979	0.5
374.35703	0.5
376.11511	0.7
405.21484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95483	0.2
55.01868	0.2
57.03437	0.5
58.00573	0.2
59.01374	7.4
61.98823	0.3
66.02650	0.2
69.03464	0.3
69.50848	1.3
71.01375	4.3
71.01757	0.3
72.99317	0.4
73.02934	1.2
74.46114	0.2
74.99094	0.9
80.02669	1.2
81.03455	1.1
83.01392	0.7
83.05017	4.9
84.02155	0.9
85.02927	1.4
87.00873	0.8
89.02434	3.7
93.03441	0.5
95.01366	0.3
95.05026	0.4
97.02916	0.3
97.06586	0.2
98.20629	0.3
99.00866	0.6
101.02430	4.0
102.98634	0.2
107.01382	0.4
108.02189	0.3
109.02946	0.4
109.06606	0.3
111.04533	0.2
111.08199	0.2
113.02427	2.3
118.77261	0.2
119.03497	0.8
120.99696	0.3
121.02925	0.4
124.13916	0.2
125.02420	1.0
125.06055	0.3
131.03497	0.4
132.33858	0.2
135.02087	0.2
135.04468	0.5
135.08150	0.7
136.99123	0.7
137.02460	0.4
149.02426	1.4
149.04485	0.5
151.00334	1.7
153.01930	0.3
160.01662	0.2
161.02463	0.3
161.04524	1.7
163.00406	0.2
163.11282	3.5
164.11609	0.2
165.12823	2.1
175.04050	0.3
178.99875	0.5
179.05551	0.5
181.12337	0.6
183.10199	0.3
191.05573	0.3
191.10735	1.0
199.13356	0.2
208.81424	0.2
209.11797	100.0
210.12125	5.6
215.03523	0.2
226.02606	0.2
227.03363	0.3
227.12851	17.4
228.13170	0.8
231.19043	0.2
235.08275	0.4
243.02893	0.7
253.09247	13.3
254.02048	0.3
254.09560	0.5
255.02943	1.8
271.02432	3.9
271.05582	0.3
272.03073	0.6
273.03879	0.2
285.03955	1.0
286.04312	0.7
287.04510	1.6
289.07062	0.3
299.99304	0.4
300.02710	8.3
301.03479	9.8
302.03827	0.6
331.17596	0.6
427.15820	0.5
463.08643	9.9
463.21454	2.2
464.08899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.5
58.00563	1.2
59.01376	64.1
61.84246	0.9
61.98816	2.5
69.55987	2.0
69.56394	5.4
71.01379	27.0
72.33608	0.8
72.99313	1.1
73.02933	3.1
81.03419	0.9
83.01375	1.7
85.02952	6.3
87.00854	1.1
89.02435	32.7
92.33816	0.9
95.01353	2.1
95.04977	1.0
96.95995	1.3
101.02440	19.1
109.06550	1.0
113.02444	12.8
119.03494	13.1
123.08102	4.5
124.05270	4.8
125.02415	1.9
131.03438	1.0
136.05290	2.4
139.07637	26.1
140.08000	1.3
143.03448	3.4
151.07639	10.0
151.11255	1.7
153.09178	1.5
158.40604	0.9
161.04549	5.1
161.09633	2.2
163.11310	1.8
165.09244	1.1
169.08730	1.6
172.75493	0.9
175.02501	1.1
175.07729	1.0
179.05635	9.1
179.10770	13.1
193.12314	7.7
203.10724	2.0
205.12263	5.3
211.13347	2.9
215.03354	1.0
221.11792	3.0
223.13359	11.8
239.12846	1.0
241.14429	59.1
242.14696	2.7
283.02332	1.1
301.03583	1.1
302.60684	1.2
308.30466	1.0
403.19678	100.0
404.19925	8.1
463.08649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51896	0.2
55.01921	0.4
57.03477	0.4
58.00639	0.4
59.01109	0.5
59.01436	5.9
65.00392	0.3
69.03512	0.4
69.74786	0.7
71.01023	0.4
71.01445	5.8
71.05064	0.3
72.99356	0.3
73.03015	1.7
74.99136	0.2
80.02748	0.9
81.03451	1.1
83.01385	1.0
83.05015	4.7
84.02171	1.0
85.02940	2.0
87.00940	0.5
89.02434	3.7
93.03501	0.3
95.01456	0.5
95.05042	0.9
97.03014	0.4
97.06627	0.2
99.00940	0.5
101.02425	5.5
107.01441	0.6
108.02232	0.3
108.85930	0.2
109.03011	0.5
109.06636	0.4
111.04581	0.2
111.08203	0.2
113.02427	2.5
117.03498	0.3
119.03500	1.1
119.05012	0.2
120.99710	0.2
121.02985	0.4
123.00906	0.3
124.01646	1.3
125.02496	0.5
125.06118	0.6
131.03508	0.3
133.02946	2.2
135.00940	0.2
135.04512	1.0
135.06674	0.2
135.08223	0.5
136.99100	0.3
137.02444	0.2
139.04091	0.6
139.11322	0.3
143.03531	0.6
145.03014	0.8
147.11777	0.3
149.04530	0.4
151.00336	2.4
151.01344	0.2
159.03020	0.3
159.10353	0.2
161.02441	5.5
161.04492	2.7
162.02899	0.3
163.00394	0.5
163.04048	0.2
163.11255	3.3
164.11597	0.2
165.12816	2.4
166.13135	0.2
175.04036	0.3
178.99834	1.2
179.03557	0.6
179.05598	0.6
181.12369	0.5
183.10249	1.9
191.05621	0.3
191.10742	0.9
199.13370	0.3
201.05609	0.2
206.26720	0.2
209.11800	100.0
210.12143	5.3
211.04037	0.4
226.02739	0.3
227.03452	0.7
227.12848	16.4
228.13152	0.9
235.08141	0.3
243.02951	2.6
245.04376	0.5
253.09250	13.5
254.02188	0.5
254.09540	0.5
255.02943	5.3
256.03159	0.4
265.07336	0.2
271.02429	12.5
272.02838	1.0
283.02222	0.3
285.03928	0.7
286.04282	0.6
287.04614	1.3
297.11768	0.4
299.01923	0.3
300.02710	20.1
301.03452	10.8
302.03781	0.6
323.07504	0.4
331.17599	2.4
332.17297	0.2
343.04056	0.2
445.20020	0.2
463.08203	15.3
463.21277	3.4
464.08444	1.4
464.21429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03445	0.8
59.01373	14.2
61.98828	2.7
70.30153	0.9
70.30504	1.3
71.01378	8.7
72.99292	1.0
73.02945	2.0
78.31130	0.5
83.01401	1.1
83.95264	0.4
85.02505	0.5
85.02923	2.9
87.00889	0.9
89.02436	6.2
93.03463	1.7
95.01374	0.7
96.95997	0.8
98.19980	0.6
99.00888	1.1
101.02433	8.1
111.08135	0.6
113.02444	3.5
117.03413	0.6
119.03510	2.3
119.04974	0.8
121.02931	4.9
123.04518	4.8
125.02448	0.9
136.05289	1.5
143.03433	0.6
145.02917	2.9
151.00398	1.1
161.04565	2.5
163.03970	0.5
165.12825	8.6
183.13878	100.0
184.14224	4.4
195.06610	7.8
209.11784	2.3
217.01305	0.8
217.84583	0.5
227.12857	8.3
235.08139	1.1
243.02971	0.9
251.09145	1.6
253.09248	7.4
255.02931	1.5
257.03992	0.6
271.02399	5.3
279.08704	1.0
285.03986	0.7
286.04276	0.8
287.04617	1.9
300.02689	7.2
301.03412	6.2
302.03873	0.5
339.10602	2.0
357.32138	0.5
417.24841	3.7
445.20581	0.7
463.09030	8.9
463.21701	70.8
464.08707	0.9
464.22089	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
57.69332	0.5
59.01095	1.0
59.01377	15.5
61.98832	5.2
71.01383	5.9
72.99304	0.9
73.02930	1.6
74.99097	9.7
75.00869	10.8
83.01385	1.0
85.02937	2.0
87.00855	1.3
89.02454	3.1
96.96001	2.8
98.19798	1.0
99.04485	0.6
100.26044	0.6
100.83293	0.6
101.02438	3.1
111.00848	1.0
113.02452	2.9
113.06071	1.2
115.03999	0.7
117.03465	1.2
119.03482	1.1
120.99631	1.0
123.08155	0.8
136.99141	11.2
141.09120	1.2
145.02930	4.6
153.09175	1.4
161.04535	2.9
163.03955	1.2
163.11302	1.0
165.05542	0.7
165.09163	1.4
171.30614	0.6
172.08797	2.3
179.05632	1.6
191.05544	1.3
198.06743	7.9
205.12364	2.8
209.11819	5.7
214.09811	2.0
223.13416	7.3
227.12912	0.6
229.11758	0.6
241.07283	58.8
241.14307	1.4
242.07874	16.1
243.08801	8.0
253.09207	1.0
256.09778	2.2
257.10446	4.2
285.09946	10.6
299.11417	2.1
300.02670	1.2
301.03467	1.8
307.08224	1.4
311.11383	1.7
353.12631	1.6
358.12732	1.0
359.13559	0.9
373.13763	0.9
376.14047	2.7
377.14621	5.7
401.14578	3.9
403.19672	3.1
419.15662	100.0
420.16003	9.0
463.08841	1.9
463.20084	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	463.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56324	0.6
54.52092	0.6
59.01375	29.5
69.55914	4.6
70.61269	0.7
71.01369	3.0
72.54877	0.6
73.02866	0.6
75.00842	1.0
78.03303	0.6
87.00858	5.4
89.02434	1.4
95.01405	0.7
96.96012	8.4
99.00881	0.6
101.02445	1.6
102.38615	0.7
111.00869	0.7
113.02413	0.9
115.00351	7.4
119.03511	1.0
122.03716	0.7
123.00865	0.9
123.20127	0.7
125.02438	2.9
135.00888	0.8
137.02415	1.0
138.03220	1.4
139.03975	1.7
141.14128	0.6
149.02493	0.9
150.03239	1.2
151.00359	0.7
153.01932	2.5
153.05501	2.1
163.00354	15.5
164.00932	0.8
165.01862	0.9
175.02467	13.9
178.02698	30.4
178.99872	0.7
179.03397	1.8
181.01407	7.7
183.06570	7.9
193.01396	1.2
193.05026	24.5
193.98930	1.2
195.02927	0.9
196.03787	4.0
199.49237	0.6
208.03783	1.6
209.04475	1.3
211.02661	1.3
211.06087	37.3
212.06390	1.5
223.06119	2.9
225.95819	0.6
226.04854	5.4
241.07144	100.0
242.07574	3.8
327.05060	2.1
345.06204	0.8
373.10968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.5
61.98828	14.7
63.02373	1.6
65.00304	2.1
69.25266	2.2
69.25684	3.2
78.95878	2.1
83.01365	2.0
85.02949	0.8
93.03434	1.4
94.55334	0.5
96.95971	1.1
101.02419	1.1
107.01376	3.4
109.02892	1.0
113.02409	0.6
117.03465	0.7
119.05026	0.8
121.02924	1.3
125.02413	1.0
126.11276	0.5
128.88647	0.5
132.02203	1.2
133.02945	10.6
135.04482	0.5
137.02390	0.7
145.02913	1.9
149.02420	2.4
151.00360	9.3
151.07553	0.5
152.01111	0.5
152.99545	2.2
163.03827	0.5
171.04422	0.8
175.03999	2.5
178.99814	0.6
179.07207	0.7
182.03679	0.7
183.04474	2.0
185.02454	0.8
199.03954	3.6
201.01889	1.2
209.11789	1.2
211.03961	1.5
213.05415	0.9
215.03461	0.7
215.98694	0.5
216.39359	0.5
217.00079	0.8
217.04990	1.6
223.04068	0.5
227.03603	2.9
241.04892	0.6
243.02896	2.3
255.02959	86.0
256.03708	43.6
257.04153	2.9
271.02512	5.1
272.02982	1.1
281.04556	0.6
283.02457	95.8
284.03214	100.0
285.03992	76.3
286.04327	4.9
287.04559	2.4
298.04794	1.0
299.05484	0.8
300.02759	11.1
301.03452	6.6
309.03949	0.6
326.04395	0.8
327.04922	0.7
405.09775	0.8
433.09082	1.1
445.09174	4.0
462.22549	0.7
463.09845	22.2
463.21014	1.8
464.10037	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	463.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61780	0.3
50.97579	0.3
51.78347	0.4
59.01376	3.8
61.98824	12.8
63.02392	1.0
65.00300	1.5
71.22517	0.5
71.22845	0.6
72.36785	0.4
72.80077	0.4
78.95882	0.9
83.01341	1.2
83.34924	0.4
88.27465	0.4
93.03420	0.5
96.95956	0.5
101.02401	0.8
104.02643	0.5
107.01366	3.0
109.02923	0.7
117.03426	0.4
119.03480	0.5
119.04989	0.5
121.02890	0.4
125.02380	1.3
132.02145	1.1
133.02008	0.6
133.02934	8.4
145.02896	0.8
146.03650	0.5
149.02428	2.3
151.00362	8.5
152.99506	0.7
159.04488	0.5
161.04562	0.4
171.04446	0.6
175.03966	2.2
177.01883	0.4
182.03607	0.5
183.04471	2.1
185.02411	0.9
187.03931	0.6
188.04745	0.4
198.03091	0.5
199.03954	3.1
201.01917	1.0
209.11795	1.0
211.03899	0.5
212.04724	0.4
215.03406	0.7
217.00137	0.6
217.04965	1.2
223.03879	0.6
227.03520	3.2
239.03232	0.7
241.04948	0.7
241.14268	0.4
243.02875	1.3
255.02946	86.4
256.03677	38.8
257.04239	1.8
271.02390	2.9
272.02731	0.5
281.04459	0.5
283.02441	100.0
284.03195	96.9
285.03973	73.6
286.04327	6.0
287.04556	1.1
299.05469	0.6
300.02676	5.2
301.03448	3.2
326.04175	1.1
327.04996	0.7
433.09177	1.4
445.09195	4.1
463.10071	16.9
463.20288	0.7
464.10422	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	463.0879
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
52.98964	0.4
59.01358	0.7
63.02399	0.5
65.00332	0.7
69.56287	2.7
71.01361	0.7
83.01379	0.5
107.01383	2.2
125.02448	0.6
148.01656	0.9
149.02394	4.7
149.99632	0.5
150.03195	1.8
151.00375	3.7
191.03491	1.9
215.03453	1.4
227.03398	0.5
239.03368	0.7
243.02992	0.9
255.03011	0.6
271.02444	1.1
272.03189	6.8
300.02716	78.9
301.03473	59.2
301.07214	0.5
302.03836	3.4
313.03497	0.6
319.92728	0.5
343.04422	1.0
445.24976	0.5
463.08765	100.0
464.09085	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0878
Annotation	(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
Peak:m/z	Relative Intensity
56.24313	0.4
57.03435	1.7
59.01091	0.6
59.01373	11.9
61.98808	1.8
69.49467	1.2
69.49892	2.0
71.01376	14.8
72.99297	1.7
73.02937	1.6
75.00844	2.3
79.05516	0.5
81.03492	0.5
83.01379	1.1
85.02936	1.4
87.00868	25.9
89.02443	1.6
90.78018	0.4
93.33107	0.5
96.96004	2.5
97.06565	1.2
99.00851	1.4
101.02438	1.9
109.02949	1.2
111.00903	0.5
112.98782	0.8
113.02419	1.5
115.00362	44.1
116.00734	0.6
119.03465	1.2
121.02915	0.8
121.51871	0.4
123.04519	0.9
125.02432	13.6
126.02849	0.6
127.00333	0.8
133.02940	0.7
135.02982	4.8
135.04489	1.1
135.96114	0.5
137.02441	0.9
141.05586	0.9
142.99849	0.8
145.03035	0.5
148.01672	1.5
149.02464	2.6
151.00356	1.1
151.03963	1.1
161.02448	2.0
161.04781	0.4
163.00394	1.3
164.01120	1.0
165.01886	1.9
167.03499	1.4
174.01768	0.5
175.02460	100.0
176.01295	0.6
176.02814	2.6
177.01898	5.1
178.02658	2.0
179.03520	2.5
179.05537	0.8
179.87256	0.4
185.94994	0.4
190.02664	0.5
193.01404	1.4
195.02957	1.2
202.99860	2.4
203.03639	0.6
204.00616	2.1
205.01408	2.0
209.04559	0.5
213.02200	1.3
213.05666	0.7
217.05199	0.6
241.05154	0.9
241.14348	0.6
245.08293	0.6
247.18417	0.5
259.06055	0.5
276.46149	0.4
283.06113	1.9
283.11853	1.3
285.04031	0.9
287.05588	1.6
289.07104	2.6
301.03494	0.5
327.05020	13.2
328.05325	0.8
341.06906	0.5
345.05933	2.4
346.06573	0.5
355.04523	0.9
421.76758	0.5
463.08582	1.5
463.18643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93343	0.3
59.01375	2.2
61.91297	0.4
62.72144	0.4
63.02382	0.6
65.00336	0.8
66.44620	0.3
69.53917	2.7
71.01374	1.3
71.23602	0.3
72.51060	0.4
73.02953	0.4
83.01391	0.9
83.01933	0.4
83.05045	0.4
83.64032	0.4
85.02920	0.7
89.02415	1.1
98.19839	0.5
101.02412	1.0
107.01402	1.7
109.02895	0.6
113.02468	0.6
121.02922	0.5
125.02406	0.9
145.02913	0.7
147.04564	0.4
148.01657	0.8
149.02422	8.6
149.04408	0.4
151.00359	6.2
161.02390	1.0
161.04543	0.6
163.11234	0.8
167.50439	0.4
183.04460	0.5
187.03972	0.5
188.04706	0.4
191.03546	2.1
199.03926	0.5
201.05608	0.5
209.11789	13.9
210.12170	0.6
211.03896	0.6
215.03503	1.6
227.03433	1.3
227.12856	2.2
239.03528	1.6
243.02876	2.2
253.09314	1.3
254.02043	0.6
255.02962	4.1
256.03726	0.6
257.04535	0.8
259.02307	0.6
271.02414	8.3
272.03214	9.8
273.03894	0.7
283.02435	1.2
285.03845	0.9
287.04523	1.4
300.02710	54.1
301.03476	100.0
302.03851	6.1
427.15601	0.4
463.08740	87.7
464.09012	6.7
472.10318	0.4
485.05020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.9
59.91422	0.3
60.01706	1.3
61.98826	100.0
63.08561	0.3
71.01386	1.1
74.55676	0.3
83.01402	0.4
85.02975	0.6
89.02451	0.8
96.96091	0.4
101.02466	0.9
109.02949	2.6
109.06636	0.4
113.02468	0.7
119.03538	0.5
121.02967	0.7
125.02473	0.8
131.03488	0.3
133.02946	0.5
135.04504	1.3
137.02400	0.7
142.11572	0.4
145.02975	0.7
151.00330	0.8
151.07599	0.7
161.02431	0.5
161.04559	0.7
170.54544	0.3
195.06592	2.3
207.06583	0.7
209.11812	0.6
231.06570	0.4
244.74693	0.4
255.03125	0.5
271.02451	1.3
285.04031	4.3
286.04358	8.9
300.02686	2.9
301.03696	1.6
301.10837	1.2
402.25693	0.9
462.07806	1.4
462.20801	0.4
463.08847	2.4
463.16364	1.9
472.64618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33818	0.5
65.00302	0.6
70.99744	0.7
71.00085	0.6
71.01358	0.5
107.01366	1.9
108.02121	0.6
109.02954	0.9
113.73991	0.5
121.02924	1.4
135.00824	0.7
148.01601	0.9
149.15244	0.5
151.00352	9.1
161.02374	0.5
163.00337	1.8
178.99838	5.6
211.03937	1.1
226.02739	1.0
227.03438	1.6
229.05066	0.7
243.02924	7.1
244.03566	0.7
245.04457	1.0
254.02155	2.1
255.02959	17.1
256.03470	0.9
271.02435	41.7
272.02914	3.0
273.03970	1.4
283.02417	1.6
299.02032	0.9
300.02710	100.0
301.03464	58.7
302.03809	3.0
304.35931	0.5
384.94876	0.5
461.55573	0.6
463.08768	94.6
464.09009	10.4
464.15579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.363
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99294	1.0
70.56990	0.7
70.57331	1.1
76.19167	0.5
96.95975	1.3
107.05022	0.6
110.72200	0.5
151.07632	1.3
193.35332	0.5
228.17793	0.5
285.04080	1.2
343.29907	1.4
345.31564	0.9
399.36536	2.5
404.84296	0.6
419.35266	0.8
443.35217	3.4
461.36307	100.0
462.36719	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	462.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.4
60.01697	0.9
61.98823	100.0
70.83528	0.3
71.01376	1.4
84.42735	0.3
85.02925	0.3
89.02438	0.9
95.02522	0.3
101.02431	0.7
109.02945	1.5
113.02438	0.7
117.03551	0.3
122.03270	0.3
123.28045	0.3
125.02435	0.5
128.00206	0.3
133.02965	0.5
135.04512	0.9
145.02902	0.4
151.00366	0.6
151.07593	0.6
188.52942	0.3
193.05043	0.3
195.06618	1.5
207.06589	0.4
209.11716	0.7
255.02910	0.5
271.02524	0.9
281.28534	0.3
285.03998	3.5
286.04373	6.7
300.02695	2.3
301.03580	1.2
301.10858	0.7
402.25644	0.7
462.07785	1.2
462.21487	0.4
463.08929	1.8
463.16113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
59.01374	100.0
61.98822	1.5
62.82145	0.4
69.57293	0.8
69.57698	1.9
71.01380	7.6
73.02924	2.2
83.01438	0.4
85.02940	3.0
87.27853	0.5
89.02416	1.9
95.01392	0.6
95.51988	0.4
99.00886	1.4
100.92587	0.4
101.02454	4.8
113.02433	3.2
114.34190	0.4
114.48809	0.4
119.03502	0.8
133.02980	1.4
137.02428	0.6
143.03525	0.5
145.02968	0.9
151.00377	0.9
152.03540	0.6
159.03014	0.7
161.04562	7.2
175.03958	0.5
179.03616	0.5
179.05582	0.6
239.05490	0.6
285.04028	17.1
286.04395	1.3
339.41031	0.4
388.49512	0.4
401.25363	9.6
402.25909	0.7
461.07144	2.3
461.22784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51418	0.3
55.01871	0.3
56.53658	0.3
57.03448	0.4
59.01373	100.0
60.01710	1.4
61.98820	9.7
63.02405	0.4
70.52724	0.4
70.53083	1.1
71.01378	9.5
72.99293	0.5
73.02930	2.4
75.00861	0.5
83.01394	1.2
85.02942	4.1
87.00885	0.9
89.02435	5.6
95.01398	1.0
98.19905	0.3
99.00879	1.7
99.27279	0.3
101.02431	6.6
107.01372	0.8
109.02972	0.7
109.06587	0.5
113.02433	5.1
119.03505	2.7
121.02940	1.1
130.11084	0.4
131.03494	0.4
133.02933	3.0
143.03546	0.9
145.02930	0.6
149.02451	0.7
149.04553	0.4
151.00397	1.3
159.02989	0.9
161.04530	5.7
175.03990	1.1
179.05615	0.9
182.41107	0.3
199.04042	0.4
201.01953	0.4
207.10233	1.6
217.04994	0.5
219.91115	0.3
225.11292	0.7
255.03069	0.6
283.02255	0.5
285.04016	41.6
286.04337	3.6
286.06943	0.4
287.22110	0.4
297.04205	0.4
327.05002	0.6
357.06070	0.7
401.25369	19.9
402.25690	1.7
461.07007	5.6
462.07468	0.6
473.93390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.65479	0.3
58.68323	0.4
59.01375	100.0
60.01715	1.1
61.98827	2.8
63.35777	0.3
64.91344	0.3
71.01373	6.5
73.02946	1.9
83.01397	0.5
85.02944	3.5
87.00892	0.7
89.02435	1.8
99.00893	1.1
101.02438	6.0
113.02439	3.6
119.03501	1.0
121.02946	1.1
121.87415	0.4
133.02980	1.4
143.03510	0.4
145.02959	0.6
149.02467	0.5
151.00410	0.5
152.03595	0.7
153.03856	0.4
159.03018	0.8
161.04547	5.9
161.05853	0.6
175.04044	0.5
199.03999	0.6
207.10274	0.5
225.15068	0.8
227.22035	0.3
269.13889	0.5
285.04025	24.4
286.04239	1.7
313.12894	0.5
326.55103	0.4
401.25388	13.6
402.25891	1.6
441.14493	0.4
461.06860	3.3
462.07416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38663	2.3
52.61447	2.3
54.18130	2.2
57.03442	19.8
59.01373	100.0
61.98819	9.6
69.62649	2.7
71.01371	38.5
71.62336	3.8
72.99295	3.1
73.02937	9.2
74.99091	2.5
83.01402	4.2
85.02944	24.5
87.00882	7.0
89.02438	54.8
93.03414	3.8
93.64889	2.4
95.01385	4.1
96.95993	9.4
98.24706	2.3
99.00861	6.3
101.02432	27.8
111.00870	12.2
113.02445	18.3
119.03510	19.8
120.99666	4.9
121.02965	2.6
122.63152	2.4
123.04487	4.9
123.08146	5.0
125.65865	2.4
131.03447	4.0
131.07106	6.4
133.02969	3.0
135.04500	6.1
137.02342	5.4
143.03497	4.7
149.09659	3.1
151.03972	6.1
151.07631	20.3
159.02965	5.1
160.08971	3.3
161.04515	24.8
161.09705	8.9
163.07640	12.5
165.05539	5.0
165.09164	6.7
167.01698	9.2
167.03387	2.8
177.09126	4.6
179.05562	18.0
179.10760	16.0
182.56963	2.7
188.08417	10.2
195.06502	3.1
203.10762	66.0
204.11101	4.0
209.04485	5.0
211.00566	4.7
221.11790	94.2
222.12119	4.8
238.07072	2.5
239.05640	3.1
239.12822	3.5
285.03979	33.1
299.01834	7.0
303.73657	3.2
343.14166	2.9
373.05798	3.7
383.16959	5.9
391.03668	2.8
401.18277	12.2
461.06693	5.9
461.16571	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	461.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36612	1.8
52.59338	1.7
54.11024	1.5
54.26722	1.5
57.03439	6.4
59.01375	100.0
61.98819	4.0
62.97515	1.5
69.03429	1.6
69.49090	11.1
71.01381	35.4
72.99336	2.6
73.02948	8.5
74.80037	1.5
75.00878	2.4
79.00843	1.6
83.01363	2.6
85.02940	18.4
87.00861	5.7
89.02442	37.1
93.03447	3.0
93.74717	1.5
95.01376	2.9
96.96019	11.1
97.02935	2.9
98.19865	3.1
99.00829	3.5
99.81838	1.6
101.02427	20.5
103.03975	2.2
111.00887	7.7
112.01163	2.5
113.02435	15.8
115.00372	2.1
119.03484	8.4
119.97760	1.6
120.99619	2.6
121.02927	4.1
121.69151	1.5
123.04556	7.4
123.08156	4.1
125.02434	5.4
131.07111	4.3
135.04546	3.5
136.99178	2.0
137.02425	3.1
143.03482	3.6
149.04529	1.7
149.09735	4.5
151.03972	2.0
151.07610	8.6
159.02986	2.2
161.02489	2.1
161.04562	17.7
161.09680	4.5
163.06252	2.0
163.07632	5.1
165.09271	3.7
167.01691	6.2
173.00992	1.8
175.02438	4.6
177.09164	5.7
179.05608	10.4
179.10776	7.1
188.08331	3.6
203.10741	33.9
204.11049	2.2
221.11803	56.5
222.12183	2.9
225.11249	4.6
239.12856	2.7
285.04053	18.9
297.15930	1.5
315.14459	1.8
329.06653	2.7
357.60962	1.4
383.17059	3.3
401.17917	7.7
461.06998	3.2
461.16226	5.0
462.16141	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.4
58.00589	2.2
59.01373	100.0
61.98837	8.7
71.01376	41.3
71.63111	2.3
72.99306	6.7
73.02940	11.0
74.22643	1.5
74.99099	7.3
75.00864	6.9
81.87353	1.4
83.01358	3.9
85.02936	10.1
87.00868	5.5
89.02435	62.8
93.03429	1.6
95.01390	3.6
96.95973	3.3
97.06501	1.6
101.01882	1.2
101.02441	28.3
108.02116	2.0
109.02940	2.3
112.10058	1.4
113.02439	21.5
119.03494	24.1
120.99626	6.1
121.02959	5.6
123.04523	5.6
125.02431	1.7
125.06072	1.9
131.03482	4.0
134.03728	2.9
135.04480	1.9
136.99142	5.4
137.09689	2.1
143.03476	4.3
148.05051	1.4
149.04510	2.1
151.00352	1.5
151.07594	1.9
161.04532	10.4
163.07576	2.3
165.09210	6.2
166.97357	1.4
167.03426	2.4
175.04059	1.9
177.12827	11.7
179.05591	18.5
179.10722	11.2
191.10721	2.1
195.10135	1.4
203.10728	4.1
221.11810	27.1
239.12796	3.4
269.10159	2.1
285.04025	10.3
324.58029	1.5
401.18240	7.5
415.16171	3.0
461.06705	2.5
461.18015	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	461.2024
Annotation	N-desmethyl loperamide
Peak:m/z	Relative Intensity
52.06703	0.6
55.01858	0.6
55.91061	0.5
57.03443	3.8
58.00584	1.8
59.01093	0.9
59.01378	18.9
61.98814	1.7
63.60477	0.5
64.80987	0.4
69.03442	5.9
69.58131	3.6
71.01376	15.1
71.05007	1.4
72.99315	1.9
73.02953	2.6
75.00863	0.9
81.07078	1.1
83.01378	1.5
85.02921	3.9
86.03715	0.7
89.02431	3.3
93.07095	3.7
95.01431	0.6
95.05008	0.7
97.02924	0.8
97.06598	1.4
99.00877	1.6
99.08157	1.1
101.02448	3.7
107.01350	1.2
107.05016	0.6
108.02164	4.8
109.02956	3.5
109.06578	4.3
111.08130	4.7
113.02436	3.0
113.06055	0.6
117.03437	2.2
119.05016	2.0
121.06559	0.6
123.04491	2.1
123.08105	3.1
125.02425	1.3
125.06059	1.9
127.07644	18.3
128.07986	0.7
133.02910	2.6
133.05029	0.8
135.04480	0.9
137.06071	14.4
139.11287	7.0
145.02948	7.7
149.02470	0.6
151.00345	2.3
151.11331	1.0
152.01138	8.5
153.01939	5.1
153.05569	0.7
155.07126	13.0
156.07443	0.7
160.01663	2.4
161.02396	1.7
161.04521	0.6
163.03996	1.9
163.11307	1.0
165.09203	4.0
175.02679	0.6
175.03989	3.3
179.03397	0.7
179.10739	0.8
181.12350	1.0
183.10239	24.2
184.10577	1.2
194.91284	0.5
195.03160	0.5
197.11800	15.0
198.12054	1.1
199.03955	1.4
207.10196	3.8
225.11299	29.3
226.11668	1.6
235.05986	0.5
255.12268	0.6
265.07065	0.6
279.96970	0.5
281.17419	0.8
284.03253	0.6
284.08698	0.6
285.04013	44.7
286.04434	3.9
307.08133	1.3
337.09354	0.7
461.11523	7.3
461.20209	100.0
462.20517	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	461.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33352	0.6
56.82930	0.6
57.03432	1.2
59.01376	41.0
59.89807	0.5
60.01690	0.5
61.98825	3.1
62.80443	0.5
63.02402	1.2
66.90794	0.6
67.01886	0.6
69.03437	1.2
69.64668	3.8
71.01038	0.8
71.01382	7.7
72.99290	1.1
73.02942	4.0
75.00838	0.8
83.01360	1.2
85.02933	3.9
87.00844	2.1
88.98808	0.9
89.02428	2.3
93.03459	3.7
95.01379	2.1
95.05022	1.1
97.98280	0.6
99.00835	1.7
101.02444	3.9
107.01374	2.1
109.02937	1.5
109.06586	1.2
113.02447	4.9
117.03465	15.6
118.03756	0.7
119.05016	12.1
119.67602	0.6
119.98370	0.6
120.99612	0.8
121.02945	2.1
122.03747	0.8
123.04517	58.0
124.04817	1.2
125.02437	1.1
127.04015	0.9
129.01941	0.7
133.02956	6.5
137.02406	4.6
139.11304	3.2
141.05540	1.7
145.02945	84.4
146.03285	3.1
149.02403	1.2
151.00365	4.2
152.01123	1.0
153.05562	61.2
154.05907	2.1
159.04492	0.7
159.06612	1.0
161.02374	2.1
161.04550	2.1
161.06020	0.8
163.03998	11.9
163.11310	1.3
175.02505	1.3
175.03961	2.7
183.10260	14.6
187.04022	1.7
191.05704	0.8
199.04012	2.2
201.01987	0.8
205.01328	0.9
205.05000	0.9
207.10223	3.9
217.05061	1.7
225.11298	3.2
235.06131	1.1
235.08151	5.0
241.05165	0.9
241.07336	4.1
253.09299	0.9
255.02985	23.9
255.10248	2.6
256.03363	2.5
257.04669	0.7
269.04587	2.7
271.02420	0.7
283.02469	18.9
284.03210	8.0
285.04025	100.0
286.04361	6.9
297.04010	9.7
298.04764	11.4
299.02115	1.6
299.05542	12.7
300.06021	1.2
307.08215	66.4
308.08566	3.9
313.03406	1.1
315.10876	1.8
327.05219	1.1
341.06592	0.9
355.06702	0.7
403.40552	0.6
417.15747	0.9
423.16455	1.5
446.08542	4.1
446.67139	0.6
461.11060	28.0
461.20660	5.5
462.11194	2.6
462.20853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1447
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
57.03378	0.5
59.01306	25.6
59.01628	2.4
61.98783	1.2
63.02359	1.0
65.00272	0.8
69.03399	0.7
69.44664	0.9
69.45071	3.6
71.01305	6.5
71.22636	0.5
72.99245	0.9
73.02937	4.9
75.00817	1.3
81.03374	0.6
83.01321	1.6
85.02954	4.3
87.00806	1.7
88.98727	0.7
89.02356	1.8
93.03455	3.6
94.18155	0.5
95.01357	1.0
98.19915	1.1
99.00812	1.8
101.02440	2.8
107.01296	1.8
108.02127	0.9
109.02886	1.2
109.06513	1.3
113.02428	2.9
117.03449	14.1
118.98014	0.7
119.05016	10.2
120.99584	0.8
121.02855	1.8
123.04510	53.8
124.04764	1.3
127.03942	0.7
133.02936	6.8
137.02441	5.0
139.11179	2.1
141.05467	1.7
145.02934	65.6
146.03279	2.8
146.04195	0.5
147.04440	0.6
147.26479	0.5
149.02351	1.7
151.00348	3.5
151.03891	0.6
152.01085	0.8
153.05553	54.9
154.05826	1.3
159.02791	0.6
161.02434	1.3
161.04433	1.9
161.05911	1.0
163.02745	0.7
163.03995	10.6
175.02454	0.8
175.03915	2.1
177.01935	0.6
180.14424	0.6
183.08856	0.8
183.10243	10.4
184.10495	0.8
187.03897	1.3
191.05507	1.0
198.06726	0.8
199.03928	2.6
201.01846	0.6
205.01427	0.7
207.10181	2.3
213.05499	0.8
217.04999	1.4
225.11270	1.8
235.08240	5.0
241.05109	0.8
241.07253	3.7
243.02954	0.7
255.02942	28.7
255.10210	2.1
256.03473	2.5
268.03827	0.6
269.04596	3.2
283.02451	18.2
284.03159	8.7
285.03998	100.0
286.04324	6.0
297.04022	9.6
298.04742	12.5
299.01987	2.2
299.05475	15.5
300.05786	1.3
306.82202	0.7
307.08176	55.1
308.08533	3.4
313.03510	1.1
315.10818	0.8
323.07706	0.7
327.04956	0.9
341.06604	1.1
357.06152	1.1
375.14655	0.7
446.08368	5.3
447.09229	0.9
461.11029	31.2
461.20569	6.1
462.11261	2.7
462.21008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57021	0.3
59.01378	1.7
61.98807	0.5
63.02420	0.4
65.00018	0.3
65.00338	0.4
69.50768	0.3
69.97610	1.2
70.39977	0.2
71.01366	1.0
73.02957	0.4
85.02939	0.5
88.98839	0.3
89.02449	0.4
89.51367	0.3
95.01416	0.4
99.00871	0.4
101.02397	0.4
103.19936	0.3
107.01366	0.5
108.02174	0.9
109.02941	7.6
113.02418	0.6
117.03445	4.4
119.05016	3.3
121.02938	0.6
123.04510	15.9
124.04852	0.3
127.07599	0.4
133.02928	1.1
145.02936	20.6
146.03275	0.8
149.02399	0.5
151.00378	1.1
152.01163	1.5
153.01929	7.4
153.05554	14.5
154.02315	0.4
154.05840	0.4
163.03992	2.8
171.04500	0.4
175.04025	0.8
183.10246	0.9
187.03867	0.4
197.11929	0.4
200.76439	0.3
207.10222	0.6
211.04010	0.5
225.11237	1.0
242.02141	0.4
255.02945	70.4
256.03412	4.0
268.03793	1.4
269.04477	3.9
283.02444	47.8
284.03104	10.8
285.03992	17.8
286.04294	1.1
297.03961	11.0
298.04767	13.4
299.05524	7.6
307.08176	16.2
308.08551	1.2
313.03510	3.2
315.07175	3.8
315.10519	0.5
326.03961	0.3
327.05188	0.7
446.08459	17.1
447.08640	1.6
461.10812	100.0
462.11151	9.6
462.20706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1085
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
55.01871	0.5
57.03447	0.8
59.01375	19.3
60.01723	0.5
61.98824	11.0
64.47807	0.5
65.00346	0.6
69.03441	3.3
70.59620	0.5
70.59925	1.1
71.01377	5.2
72.54274	0.5
72.99313	0.8
73.02940	2.6
75.00853	0.5
79.01878	0.8
81.03452	0.9
83.01376	2.6
85.02947	3.1
87.00864	2.1
89.02440	2.9
91.04030	0.6
95.01366	2.9
97.02949	3.1
99.00902	1.3
101.02432	1.9
107.01362	3.1
108.02159	7.0
109.02946	3.5
113.02428	3.0
117.03482	0.7
119.05034	0.8
121.02931	1.2
123.00868	8.0
123.04531	1.1
124.01653	20.7
125.02435	53.4
126.02741	0.8
133.02925	4.7
137.02448	3.6
145.02960	2.5
146.57922	0.5
147.04485	4.8
148.05229	0.7
149.02380	1.3
149.99565	34.0
151.00385	5.8
151.03983	1.4
153.01930	1.8
161.04532	1.1
161.05920	0.5
163.04022	0.9
167.03526	0.9
167.10861	1.5
168.00620	57.2
169.01376	4.7
175.03929	1.2
177.01936	0.9
179.03400	0.7
199.03979	1.3
217.04979	0.9
225.11334	0.5
229.05074	3.6
235.06033	0.5
255.03001	0.5
266.21616	0.5
270.01797	0.7
285.04004	64.6
286.04343	5.2
297.06436	0.8
313.05734	1.6
315.18433	0.6
327.04868	1.0
327.21747	2.9
357.06143	0.6
401.12369	1.9
443.09872	3.0
461.10965	100.0
461.23703	3.1
462.11353	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	459.3837
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
51.19088	0.1
71.29288	0.3
71.71048	0.2
72.99285	0.3
77.26299	0.2
84.02158	0.3
88.53275	0.1
111.08140	1.1
149.09799	0.2
237.45053	0.2
326.88736	0.2
344.96741	0.2
392.13651	0.2
411.36298	0.3
413.37796	20.6
414.38120	2.3
441.37311	1.0
459.38354	100.0
460.38699	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	461.0721
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
57.03431	0.3
59.01377	2.0
63.02390	0.8
65.00311	0.7
69.54933	1.6
69.55331	0.5
71.01375	2.0
72.99287	0.6
75.00885	0.5
83.01401	0.5
85.02943	2.1
87.00866	0.8
89.02421	0.4
94.89444	0.2
95.01395	0.6
99.00884	1.1
103.00362	0.2
107.01382	2.2
109.02931	0.7
113.02441	2.8
115.00359	0.5
117.01873	0.4
120.19804	0.2
121.02931	0.7
129.01953	0.3
133.02943	7.0
134.03300	0.3
149.02420	1.9
151.00346	3.9
171.04532	0.3
175.02498	0.5
175.03983	2.5
177.01915	0.3
185.06029	0.4
187.04126	0.3
189.05417	0.4
197.05980	0.4
198.03140	0.3
199.03967	2.1
201.01913	1.0
211.04140	0.3
212.04764	0.3
213.05525	0.6
217.05070	1.4
223.03928	0.3
239.03543	0.3
240.04353	0.3
241.04987	0.6
243.02895	0.5
254.62715	0.2
257.04587	0.6
267.02930	0.3
284.03229	0.5
285.04013	100.0
286.04349	7.5
297.03943	0.6
299.05597	0.3
327.05142	0.9
357.06140	0.9
369.06314	0.4
381.06125	0.5
451.62543	0.2
461.07211	13.4
462.07553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90569	0.3
53.52620	0.3
59.01374	100.0
60.01714	0.9
61.98836	1.8
68.17740	0.3
68.79561	0.3
70.94347	0.7
70.94709	0.4
71.01376	6.4
73.02958	1.5
83.01398	0.7
84.21659	0.3
85.02951	2.1
87.00906	0.3
89.02444	4.6
95.01401	0.3
99.00903	0.5
101.02438	4.5
101.03059	0.3
102.76607	0.3
113.02441	2.6
119.03490	1.8
125.02420	0.6
126.70832	0.3
131.03424	0.3
143.03551	0.5
152.03531	0.4
158.41486	0.3
159.03001	0.8
161.04543	6.2
179.05635	0.9
339.25586	0.4
357.26501	0.4
399.23767	7.4
399.28537	0.4
400.24216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67713	0.2
55.01872	0.4
57.03455	0.4
59.01373	100.0
59.63173	0.2
60.01709	0.8
61.98826	2.6
63.96244	0.2
65.54115	0.2
66.05697	0.2
68.39680	0.2
71.01375	7.2
71.63642	0.3
72.99304	0.4
73.02940	2.6
75.00862	0.3
76.58105	0.2
77.06325	0.2
83.01379	1.0
85.02943	2.6
87.00884	0.3
87.04498	0.4
89.02434	2.3
93.03476	0.2
95.01395	0.6
96.96026	0.4
97.02936	0.2
99.00854	0.9
101.02431	4.9
101.03072	0.3
101.06070	0.3
102.98631	0.3
103.04005	0.2
109.02943	0.3
113.02431	3.4
117.03447	0.6
119.03478	1.0
119.05005	0.3
120.99664	0.3
123.00957	0.2
125.02457	0.6
129.01970	0.2
133.02956	0.3
135.04492	0.7
135.98361	0.5
137.02385	0.2
143.03528	0.6
145.02945	1.7
151.03970	0.3
159.02989	0.5
160.01646	0.2
161.02515	0.9
161.04527	5.9
161.05821	0.4
165.09268	0.2
179.05579	0.4
191.05547	0.4
193.01405	0.3
195.11946	0.2
205.03444	0.3
237.15097	0.2
255.03061	0.8
283.02509	0.5
297.20627	0.2
307.07996	0.3
314.04691	0.2
399.23792	10.6
400.24100	1.2
417.24988	1.2
423.16663	0.9
443.22882	0.4
459.22391	1.3
459.27539	0.3
467.78687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01719	0.5
61.49335	0.4
61.98836	2.1
70.37206	0.6
70.37585	1.1
71.01376	5.1
73.02941	1.9
83.01401	0.4
85.02955	2.3
87.00909	0.3
89.02449	2.6
89.25228	0.4
98.20010	0.4
99.00881	1.3
101.02435	4.9
111.14793	0.4
113.02435	3.1
119.03515	1.8
143.03490	0.7
147.05315	0.4
159.03008	0.7
161.04524	5.2
161.05684	0.5
179.05672	0.5
179.09261	0.4
203.15434	0.4
301.20346	0.6
399.23795	5.3
399.28616	0.4
400.24307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.29
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
54.98664	0.2
56.96558	0.2
59.01370	0.2
60.57548	0.2
61.98811	0.3
64.04270	0.3
69.26235	0.6
69.26663	1.6
71.81036	0.2
75.38203	0.2
107.05017	29.9
108.05373	0.4
119.36506	0.2
124.45023	0.2
147.08101	0.4
163.11266	100.0
164.11595	3.7
238.10034	0.4
280.14716	0.7
283.16998	26.7
284.17377	1.8
295.16986	15.5
296.17303	1.2
367.00064	0.2
370.01797	0.3
459.28986	83.8
460.29333	10.6
460.35864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
59.01374	30.4
61.64441	0.9
61.98819	2.1
67.26735	0.8
69.72668	1.8
69.73081	3.4
71.01374	8.4
73.02950	4.6
75.32639	0.8
83.01369	1.4
85.02950	2.8
87.00876	1.2
89.02435	3.6
99.00871	1.2
101.02448	6.5
113.02440	3.9
115.99089	0.8
117.03460	18.6
119.03545	0.9
119.05024	8.0
121.02972	1.0
121.10224	1.8
122.03741	3.6
125.02442	1.3
129.22247	1.0
131.07152	4.2
145.02939	100.0
146.03250	4.2
155.10736	2.0
161.02417	2.1
161.04535	2.0
163.03978	7.9
165.09207	2.0
179.01759	0.9
191.05565	3.0
268.03748	0.9
291.17947	1.7
293.12369	2.4
294.21039	1.0
337.36713	1.0
399.23764	1.7
423.16528	66.4
423.22278	16.4
424.17178	6.8
424.22433	1.8
459.20013	18.4
460.20331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94131	0.4
59.01373	100.0
59.68218	0.3
60.01700	0.7
61.98824	1.9
69.41469	3.1
71.01374	7.1
73.02948	2.6
83.01408	0.9
85.02966	2.5
89.02435	3.9
95.01370	0.5
99.00894	1.4
101.02448	4.7
102.98582	0.4
113.02425	3.0
117.03438	0.5
119.03495	1.3
125.02447	0.9
131.34727	0.4
135.98283	0.4
141.49821	0.4
143.03513	0.7
145.02936	2.4
149.04640	0.4
159.02934	0.5
161.04541	5.0
179.79059	0.3
191.03555	1.2
191.05698	0.4
207.22234	0.5
222.09250	0.4
240.04282	0.8
255.03131	0.6
292.62619	0.4
297.07840	0.8
303.67188	0.4
307.08231	0.5
363.76569	0.4
399.23795	8.1
399.28577	0.5
400.24258	1.0
417.25049	1.7
423.17096	0.5
443.79135	0.4
459.22568	1.1
465.91110	0.4
471.49033	0.4
481.50095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03455	0.4
58.00594	0.4
59.01375	100.0
60.01698	1.1
61.01758	0.3
61.98836	1.8
69.57501	1.1
69.57932	1.0
71.01378	8.6
72.99306	0.6
73.02948	1.4
81.03458	1.0
83.01408	1.4
85.02943	2.7
89.02434	10.0
93.33354	0.3
95.01382	0.5
98.19940	0.5
98.40349	0.3
101.02430	7.3
111.83269	0.3
113.02441	4.5
119.03497	5.5
121.02949	0.7
123.04517	4.5
125.02475	1.1
126.42343	0.3
126.45358	0.4
131.03539	0.5
143.03508	1.2
145.02945	0.8
151.00435	0.4
161.04568	4.5
161.43866	0.4
165.09317	0.4
167.03477	17.2
168.03828	0.5
175.03976	0.6
179.05580	2.9
179.06758	0.3
237.18649	0.4
283.02606	0.4
283.91141	0.3
385.00653	0.5
399.23862	8.8
400.24246	0.7
441.25214	0.4
459.16138	0.5
459.26254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
59.01089	1.5
59.01377	30.8
61.98814	1.7
68.40321	0.7
69.58891	1.9
69.59305	4.1
70.59070	0.9
71.01376	12.1
72.99303	4.6
73.02936	3.8
74.81316	0.8
74.99092	1.3
75.00871	2.0
77.07026	0.8
85.02916	4.6
87.00873	3.1
87.62320	0.9
89.02430	9.7
91.16607	0.9
92.56955	0.9
96.96007	2.9
98.20634	1.4
99.00841	1.2
101.02431	7.4
108.31045	0.9
109.02917	1.6
111.00863	7.8
113.02484	4.1
117.03448	2.4
118.98034	1.9
119.03482	2.7
121.05038	3.9
123.04504	1.4
125.02429	2.4
132.02155	17.4
133.02991	1.7
134.03732	27.7
135.04419	1.1
137.02440	1.8
143.03438	1.1
147.04446	0.8
149.06087	4.5
151.03981	1.1
160.01637	90.0
160.08969	1.1
161.02203	3.6
167.03616	1.0
171.97937	0.8
175.03979	100.0
175.11227	1.9
176.04416	4.0
178.02684	1.2
179.03554	0.9
179.05605	1.4
191.07121	2.5
193.05025	46.8
194.05289	1.8
207.06487	1.3
219.10246	3.1
235.06163	7.2
286.77997	1.0
295.08301	2.5
301.03806	1.6
337.09265	1.1
399.16348	2.0
459.15070	91.1
460.15369	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	459.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	91.1
61.98822	4.8
67.90015	1.7
69.57474	12.1
71.01375	41.1
72.99326	1.9
73.02940	65.2
83.01375	16.2
85.02937	6.1
85.76723	1.5
89.02442	11.5
99.00867	1.7
101.02431	58.5
113.02416	13.2
117.03453	16.2
119.03484	3.9
119.05008	7.4
125.02446	2.9
131.03525	2.2
133.25610	1.6
141.55232	1.6
143.03470	4.6
145.02939	100.0
146.03300	2.1
149.04536	4.0
150.70854	1.5
151.04004	3.3
155.03450	1.8
161.04553	9.5
163.03998	9.3
164.86337	1.8
191.05615	2.0
193.12332	9.3
297.55298	1.7
355.17798	2.7
373.18414	11.1
415.19647	48.3
416.20172	2.5
423.16534	83.9
424.17062	7.8
443.90952	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
59.01371	7.3
61.98822	5.6
65.19691	0.4
67.01887	4.0
69.52329	3.2
71.01369	3.3
73.02895	0.6
85.02951	3.2
87.00873	16.0
89.02433	2.5
93.03427	0.9
96.96002	0.6
101.02431	2.7
101.64245	0.5
105.84193	0.4
111.00876	100.0
112.01209	1.9
113.02427	1.4
117.03461	14.9
119.03644	1.1
119.05022	12.6
121.02937	2.3
123.04519	4.2
129.01936	1.6
132.77284	0.4
133.02939	0.6
133.06592	2.1
145.02945	58.5
146.03296	2.0
151.06105	1.0
161.02444	1.5
161.06062	5.9
163.04001	22.7
164.04378	0.5
171.74550	0.5
173.00893	12.3
173.02335	0.8
177.05554	4.3
181.89183	0.5
191.01953	0.5
205.05045	9.4
206.05403	0.5
213.74878	0.5
235.06119	3.9
265.07120	7.2
266.07602	0.5
307.08426	1.5
325.09045	2.2
459.15515	41.2
460.16034	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	458.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.8
60.01708	0.5
61.98824	100.0
69.05164	0.3
69.35458	0.5
69.35857	2.1
71.01379	1.5
85.01768	0.3
85.02966	0.4
89.02434	0.8
89.37746	0.3
101.02451	0.9
107.17382	0.3
113.02443	0.6
119.03521	0.8
121.02916	0.4
137.02428	0.3
144.48137	0.3
145.02930	0.8
146.03223	0.3
148.85553	0.3
161.02341	0.3
161.04536	0.5
171.96324	0.3
283.02454	0.4
295.84680	0.3
398.22745	0.4
399.24026	0.9
437.43408	0.3
458.15781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03154	0.3
55.59119	0.3
57.03447	2.0
59.01373	2.4
61.98829	2.1
66.64217	0.4
67.01893	3.9
69.76350	1.2
69.76756	0.8
71.01376	1.2
71.38862	0.3
72.45915	0.3
83.01373	0.4
85.02947	1.7
87.00867	5.8
89.02428	1.0
92.86920	0.3
96.95991	1.0
101.02423	0.9
102.16328	0.3
111.00871	100.0
112.01215	2.0
113.02454	0.3
114.85950	0.3
117.03448	4.9
119.05013	3.4
119.74641	0.4
121.02946	1.4
123.04479	1.8
129.01923	0.5
133.02971	0.6
133.06561	0.4
135.04520	0.5
144.38383	0.4
145.02934	13.1
146.03311	0.8
154.99757	0.5
159.61298	0.3
161.02417	2.2
161.04546	0.5
161.06058	1.4
163.03993	6.2
173.00899	10.8
173.02348	0.7
177.01892	1.2
177.05551	0.9
199.80949	0.3
205.05043	2.1
232.04646	0.3
235.06075	0.9
265.07202	1.5
311.78003	0.3
409.00311	0.3
459.15842	10.3
460.15799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03393	1.6
59.01373	3.4
61.98822	4.8
67.01878	3.5
69.18172	0.3
69.67748	1.8
71.01382	1.6
73.02905	0.4
79.51418	0.3
85.02943	2.3
87.00866	14.3
89.02439	1.4
93.03427	0.6
101.02444	1.4
111.00867	100.0
112.01189	2.3
113.02434	0.6
117.03454	5.9
118.03842	0.3
119.03579	0.7
119.05008	6.0
121.02940	2.0
123.04509	4.9
129.01929	1.4
130.99875	0.3
132.05829	0.5
133.06592	1.2
145.02933	23.6
146.03297	0.8
151.06151	0.9
154.99899	0.4
161.02441	0.6
161.06056	2.4
163.03987	9.3
173.00891	11.3
174.01389	0.4
177.05547	1.5
191.02019	0.5
205.05046	4.4
235.06082	1.5
265.07120	3.3
301.93069	0.3
307.08582	0.4
325.09583	0.7
371.55441	0.3
459.16165	14.2
460.16541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
71.50469	0.7
73.02943	42.4
74.03285	0.5
89.02411	0.4
99.00879	5.0
113.77466	0.3
117.01937	100.0
118.02315	1.9
118.05103	0.5
132.47731	0.3
141.41655	0.3
144.70244	0.3
155.91545	0.3
171.30313	0.4
191.05614	0.7
196.43633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42238	0.4
59.01363	1.2
67.26053	0.3
68.99577	0.5
69.55542	2.6
71.01379	1.3
73.02940	41.4
76.78016	0.4
85.02962	0.5
89.02446	1.7
92.12429	0.4
96.96023	1.1
98.20605	0.5
99.00880	4.3
101.02445	0.5
105.35405	0.3
107.88428	0.3
113.02407	0.7
116.92838	1.5
117.01929	100.0
118.02250	2.0
119.03513	0.4
121.05117	0.4
129.15654	0.4
191.05595	0.7
257.67331	0.4
283.10315	1.6
287.89862	0.4
295.10446	0.4
341.10852	0.7
459.13965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35091	0.3
53.39045	0.3
57.03434	0.5
59.01375	14.4
61.98824	13.7
69.56192	2.3
71.01381	5.6
73.02944	5.1
73.59357	0.3
79.73921	0.3
80.58638	0.3
83.01366	1.7
85.02944	2.0
87.00806	0.4
89.02446	1.4
93.03448	0.8
95.01398	0.5
97.02933	0.4
98.19864	0.6
99.00893	0.6
101.02434	4.8
107.87670	0.3
113.02460	1.7
117.03452	15.3
118.03761	0.4
119.03563	0.5
119.05013	6.2
120.99580	0.3
143.03479	0.4
145.02936	100.0
146.03258	3.4
147.04510	0.5
153.01958	0.8
161.04535	1.5
161.05927	0.5
163.03973	11.2
183.10158	0.5
189.27266	0.5
191.03719	2.5
191.05350	2.3
193.01387	1.0
193.12250	0.6
205.04955	0.4
205.84476	0.3
227.07080	0.8
235.06152	1.0
250.74698	0.5
259.08047	0.3
265.07114	1.4
278.36096	0.4
297.07614	1.3
325.09232	0.7
353.08594	0.4
396.11630	1.3
399.23730	0.8
415.19611	3.2
423.16525	73.9
424.16840	7.1
459.13443	0.9
459.22144	1.1
477.96329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55464	2.4
54.71844	2.3
59.01374	46.9
61.98838	3.2
71.01379	37.7
71.53724	4.1
72.99287	4.2
85.02963	3.2
87.00883	3.9
89.02428	56.3
101.02431	9.3
102.51455	2.7
113.02441	10.1
114.08970	2.9
119.03503	7.4
135.11006	2.7
141.01735	2.6
149.13501	2.7
161.04568	5.7
179.05563	19.8
250.74112	2.4
277.21671	100.0
278.21979	7.1
456.35449	10.4
457.36609	40.8
463.25098	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	457.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07158	0.5
52.42927	0.6
57.03447	3.7
59.01367	3.7
61.98834	3.2
69.58689	1.8
69.59099	2.6
95.05016	0.7
97.06582	11.3
117.16542	0.6
123.08161	5.7
125.09709	73.0
126.10045	2.4
143.10739	1.5
169.08693	1.7
187.09735	28.1
188.10068	1.6
207.49182	0.6
217.00241	2.6
269.21078	4.8
287.22223	26.5
288.22598	1.9
368.04855	0.6
374.99292	2.0
439.30521	2.0
454.45953	0.6
457.31647	100.0
458.32013	10.1
484.93277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82712	0.4
50.95608	0.5
55.01858	0.5
57.03423	0.6
59.01375	100.0
59.85510	0.4
61.98825	19.8
71.01379	8.3
71.63151	0.6
73.02939	1.7
83.01403	0.8
85.02950	2.8
87.00893	1.0
89.02436	8.6
95.01370	0.7
96.95991	0.8
99.00902	0.6
101.02429	6.1
107.05022	0.7
113.02437	4.1
113.15011	0.4
117.03474	1.3
119.03484	3.8
119.05059	1.4
129.03465	0.6
139.04849	0.4
143.03551	0.8
145.02959	3.5
147.04503	5.0
149.06084	1.7
159.03030	0.5
161.04539	4.7
161.09708	0.6
162.03308	0.5
165.05557	7.2
165.06865	0.7
179.05643	2.1
179.10739	3.6
203.34657	0.5
209.08195	0.8
251.11406	1.8
307.08282	1.7
371.93466	0.5
397.22284	4.3
419.15692	0.5
457.20734	1.8
457.25293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06017	0.3
59.01375	100.0
59.84807	0.4
60.01708	0.9
61.98826	4.9
71.01380	4.2
79.95737	0.3
83.01396	0.4
85.02939	0.9
89.02441	6.0
93.40032	0.3
95.01424	0.6
96.96004	0.6
101.02433	2.9
103.35027	0.4
113.02478	1.4
117.03481	0.7
119.03481	1.9
119.05036	0.5
131.03574	0.5
143.03528	0.6
145.02934	0.9
146.35052	0.4
149.06071	0.7
161.02452	0.7
161.04639	0.6
179.05589	1.0
317.31204	0.4
397.21994	0.5
456.63416	0.4
457.15445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1712
Annotation	sasanquin
Peak:m/z	Relative Intensity
53.88023	0.7
53.96074	0.8
55.01862	1.3
57.03429	0.7
58.00586	1.7
59.01375	48.4
61.74461	0.6
61.98821	3.3
63.09832	0.6
70.94324	1.6
71.01377	27.0
72.97547	0.8
72.99312	3.0
73.02942	1.9
76.39966	0.6
78.36295	0.7
83.01373	2.4
83.05013	1.0
85.02485	0.8
85.02939	5.7
87.00871	1.4
89.02438	26.0
95.01375	1.8
96.96004	4.8
99.00853	1.0
99.04501	1.3
101.02436	17.9
104.08587	0.6
106.95958	0.6
109.02948	2.0
111.04526	1.4
113.02440	9.7
119.03485	11.1
119.05025	2.0
120.99715	0.7
121.06565	1.6
123.08141	2.8
125.02457	1.4
129.07126	0.7
131.03473	1.3
131.07146	1.3
137.06071	0.6
143.03502	1.3
149.04555	1.1
153.51198	0.6
161.02448	1.3
161.04512	1.5
163.04010	2.6
169.10237	0.9
171.11761	4.2
173.68616	0.6
179.03563	1.2
179.05589	2.4
189.12840	7.2
215.10771	1.5
233.11838	2.7
240.56702	0.8
270.18381	0.7
277.10809	6.4
397.11899	0.7
397.17014	0.9
398.83331	0.6
413.18524	0.8
417.73804	0.7
457.17145	100.0
458.17386	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	457.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48054	0.2
56.65338	0.1
68.32356	0.2
70.87566	0.2
70.87908	0.3
75.36651	0.2
76.03108	0.1
83.64721	0.1
96.23988	0.2
99.92574	5.5
100.93354	3.3
113.92613	0.2
115.92067	100.0
116.92075	3.5
116.92854	5.5
117.92882	0.2
132.92355	1.2
142.94418	0.3
155.95236	0.2
172.95444	5.4
173.95529	0.3
283.26459	0.4
329.31677	0.2
342.54025	0.2
383.19052	0.6
384.19574	0.3
399.18237	0.3
409.20346	1.1
410.21057	0.2
413.34467	0.3
439.21262	0.3
457.22589	6.4
458.23074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
56.83977	0.3
57.03436	0.4
58.00594	0.8
59.01372	100.0
60.01702	0.9
61.98819	2.0
69.03443	0.6
69.09516	0.3
70.30383	0.6
70.30776	0.9
71.01376	13.7
72.99296	0.8
73.02937	9.6
73.03339	0.5
75.00873	0.5
83.01374	2.6
85.02939	3.1
87.00863	0.5
87.04482	0.5
89.02428	10.3
95.01392	1.0
96.96015	0.4
97.02956	0.3
99.00922	0.7
101.02432	12.7
113.02437	7.6
117.03432	0.7
119.03494	4.0
119.04992	1.6
121.02902	0.3
125.02422	0.5
131.03505	0.9
132.91321	0.3
135.98357	0.8
143.03499	1.2
145.02922	2.6
149.04593	1.3
153.01897	0.8
161.04509	3.1
161.05896	0.5
163.03989	1.8
165.05432	0.4
177.05571	0.6
178.06427	0.9
179.05640	1.0
191.05588	2.8
193.08670	0.9
205.05025	1.0
221.06860	0.3
235.06129	0.7
265.07111	1.5
324.16794	0.4
371.51501	0.3
397.22263	1.9
443.04175	0.3
457.15173	0.4
457.20984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03447	0.8
58.00587	3.7
59.01374	75.1
59.42302	0.5
61.98822	0.5
69.03451	6.9
69.61483	1.7
69.61912	1.5
71.01376	76.6
72.01712	0.9
72.99289	2.4
73.02938	9.9
75.00876	2.8
79.01904	0.9
81.03451	4.8
83.01376	4.7
85.02946	9.1
87.00885	3.0
89.02437	100.0
90.02776	1.6
91.33601	0.4
95.01374	2.4
97.02946	11.6
99.00873	16.3
99.04507	2.3
101.02431	15.8
107.01337	0.9
109.02943	0.8
111.00880	1.5
113.02444	8.1
115.03998	7.1
119.03496	2.4
121.02928	1.3
123.00877	0.5
125.02435	48.6
126.02741	1.5
127.03966	1.4
131.03487	12.0
132.01321	0.5
137.02518	0.5
143.03459	3.6
143.04514	0.8
147.04503	3.6
148.05292	62.0
149.04550	13.4
149.05621	1.7
161.04536	2.8
163.07632	16.8
164.07909	0.5
172.92682	0.5
173.04501	1.1
191.05608	9.4
233.06639	36.6
293.08771	33.1
294.08923	1.1
295.05927	0.6
307.05911	1.2
413.21301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00356	0.4
55.01867	1.5
56.69059	0.4
57.03445	0.5
58.00594	3.1
59.01372	71.3
61.44370	0.4
64.96741	0.4
69.03452	6.7
70.94260	0.9
70.94604	0.7
71.01374	69.4
72.01704	0.7
72.99294	2.9
73.02936	11.2
75.00847	3.2
79.01897	1.2
81.03445	4.8
83.01374	5.4
83.05018	0.4
85.02949	9.1
87.00884	3.0
89.02433	100.0
90.02757	0.8
95.01382	2.9
97.02941	11.6
99.00871	15.3
99.04510	1.8
101.02430	14.5
109.02954	0.9
110.90895	0.4
111.00867	1.8
111.42274	0.4
112.14339	0.4
113.02433	7.0
115.03995	6.9
119.03501	2.0
121.02917	0.8
125.02431	47.1
126.02745	0.9
127.03983	1.6
129.01846	0.6
131.03491	10.9
133.69440	0.4
137.02403	0.5
143.03484	3.8
147.04506	3.4
148.05287	56.3
149.04546	13.5
149.05632	1.7
155.03484	0.5
161.04593	2.2
161.05798	0.4
163.07623	16.1
173.04504	1.2
175.06136	0.4
191.03926	0.8
191.05585	8.8
215.05542	0.5
233.06627	37.3
234.06993	1.3
290.30347	0.4
293.08743	29.0
294.09021	1.8
295.05975	0.9
307.05969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54224	1.4
56.91135	1.2
57.03407	1.4
58.00572	1.5
58.99574	2.1
59.01373	55.8
61.98816	6.9
65.08732	1.1
68.40800	1.3
68.99805	1.6
69.63982	3.9
69.64404	5.3
70.99599	10.9
71.01374	34.9
72.99278	2.4
73.02913	3.8
74.99052	5.0
75.00844	2.6
79.95726	3.7
81.95308	3.3
83.01366	3.0
85.02929	7.4
87.00811	4.7
89.01923	2.4
89.02431	37.4
93.02930	1.8
93.03451	24.4
93.32414	1.4
95.01340	2.2
96.95994	18.9
97.94723	2.4
98.95537	13.0
98.96247	2.4
98.96358	2.1
99.00821	2.5
101.02439	23.8
102.98595	9.3
107.04999	1.6
108.77710	1.3
109.02876	2.0
109.06557	2.2
111.04475	3.4
113.02454	16.0
114.32681	1.3
117.03401	5.3
119.02766	1.5
119.03501	16.7
119.05010	22.4
121.02922	3.0
122.03667	3.3
123.04475	1.8
125.02372	4.2
131.05002	21.3
133.02953	9.2
133.06554	8.2
134.03650	4.4
135.03476	2.1
135.04509	39.7
137.02441	9.7
137.06001	6.3
145.02943	22.3
147.04410	2.6
148.05289	1.7
149.06065	9.2
155.03505	1.9
159.04416	2.1
161.02432	46.4
161.04483	7.6
161.05974	18.7
163.02696	1.8
163.03983	25.8
165.03766	50.8
165.05281	2.9
166.03957	1.9
175.03920	1.7
177.05542	24.4
179.03470	43.7
179.05489	4.7
185.09578	2.6
188.08321	1.6
189.32018	1.4
191.05394	4.7
201.09113	4.0
203.03320	2.3
203.10718	20.1
205.05035	17.9
221.04533	17.9
233.07919	1.5
233.11725	2.7
235.06125	7.3
247.09567	3.5
251.05614	9.5
262.04785	1.9
265.07062	12.1
277.07068	3.2
281.06635	13.0
282.06708	1.9
295.10309	60.9
307.08115	2.0
311.09805	21.5
327.08804	4.2
341.08542	3.8
415.10361	2.5
457.12924	100.0
458.13196	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	456.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	8.9
59.01367	5.3
61.98827	93.0
65.37894	2.2
70.69646	2.3
71.62660	2.8
81.03464	6.1
83.01405	2.8
84.47149	2.1
105.66236	2.5
119.88736	2.5
123.82876	2.1
125.02440	79.1
172.00935	2.1
174.99174	2.1
223.20598	7.1
265.21719	19.1
267.19662	3.2
307.22803	3.8
331.22614	3.0
393.22775	100.0
394.23001	9.5
433.90598	2.2
455.35239	4.3
456.35675	3.3
457.31754	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	457.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54224	1.4
56.91135	1.2
57.03407	1.4
58.00572	1.5
58.99574	2.1
59.01373	55.8
61.98816	6.9
65.08732	1.1
68.40800	1.3
68.99805	1.6
69.63982	3.9
69.64404	5.3
70.99599	10.9
71.01374	34.9
72.99278	2.4
73.02913	3.8
74.99052	5.0
75.00844	2.6
79.95726	3.7
81.95308	3.3
83.01366	3.0
85.02929	7.4
87.00811	4.7
89.01923	2.4
89.02431	37.4
93.02930	1.8
93.03451	24.4
93.32414	1.4
95.01340	2.2
96.95994	18.9
97.94723	2.4
98.95537	13.0
98.96247	2.4
98.96358	2.1
99.00821	2.5
101.02439	23.8
102.98595	9.3
107.04999	1.6
108.77710	1.3
109.02876	2.0
109.06557	2.2
111.04475	3.4
113.02454	16.0
114.32681	1.3
117.03401	5.3
119.02766	1.5
119.03501	16.7
119.05010	22.4
121.02922	3.0
122.03667	3.3
123.04475	1.8
125.02372	4.2
131.05002	21.3
133.02953	9.2
133.06554	8.2
134.03650	4.4
135.03476	2.1
135.04509	39.7
137.02441	9.7
137.06001	6.3
145.02943	22.3
147.04410	2.6
148.05289	1.7
149.06065	9.2
155.03505	1.9
159.04416	2.1
161.02432	46.4
161.04483	7.6
161.05974	18.7
163.02696	1.8
163.03983	25.8
165.03766	50.8
165.05281	2.9
166.03957	1.9
175.03920	1.7
177.05542	24.4
179.03470	43.7
179.05489	4.7
185.09578	2.6
188.08321	1.6
189.32018	1.4
191.05394	4.7
201.09113	4.0
203.03320	2.3
203.10718	20.1
205.05035	17.9
221.04533	17.9
233.07919	1.5
233.11725	2.7
235.06125	7.3
247.09567	3.5
251.05614	9.5
262.04785	1.9
265.07062	12.1
277.07068	3.2
281.06635	13.0
282.06708	1.9
295.10309	60.9
307.08115	2.0
311.09805	21.5
327.08804	4.2
341.08542	3.8
415.10361	2.5
457.12924	100.0
458.13196	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	455.2641
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
54.73194	1.2
56.93994	1.2
59.01090	2.7
59.01376	43.6
61.98821	9.2
71.01379	19.6
71.63121	1.3
72.99297	2.0
81.03771	1.3
83.01382	2.3
85.02959	6.2
87.00892	1.9
89.02445	18.1
96.95999	4.6
101.02437	11.2
112.98496	1.7
113.02433	7.8
113.87051	1.3
119.03530	9.0
151.00343	1.4
171.10240	3.9
240.73065	1.3
270.25076	1.4
275.20148	5.6
277.21619	1.9
293.21182	13.9
329.16068	1.6
384.46109	1.3
392.15567	3.7
428.27808	1.4
455.26462	100.0
456.26727	10.0
467.04749	1.3
474.83978	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20778	1.0
55.01876	2.6
57.03437	2.1
58.00585	1.1
59.01378	56.1
61.69078	1.1
61.98830	34.8
66.97984	1.1
69.03453	1.1
69.55113	7.5
71.01379	31.5
72.99295	1.7
73.02946	13.4
75.00863	1.8
78.95887	1.6
79.95731	7.1
83.01377	12.3
83.05032	1.7
85.02951	18.9
86.00044	1.1
87.00868	2.5
89.02422	6.8
93.03449	2.3
95.01351	2.1
95.05030	1.6
96.96005	74.1
98.95570	2.2
99.00894	6.9
101.01768	2.2
101.02438	40.6
102.42408	1.2
103.04018	1.5
108.02180	13.0
109.02952	12.3
111.00900	2.8
113.02441	14.0
113.06146	1.3
117.03408	2.9
119.03524	2.6
119.04931	1.4
121.02971	3.5
123.04504	2.4
125.02445	9.5
129.01921	1.9
133.02974	1.3
135.04549	1.9
137.02438	4.4
139.04057	1.4
143.03441	1.3
145.02963	11.2
147.04515	1.1
147.06654	1.5
149.02354	1.4
151.00348	1.3
151.04002	3.8
152.01178	15.2
152.99649	1.5
153.01930	7.1
159.03018	2.3
161.02451	1.8
161.04532	11.3
161.05911	1.7
163.03999	4.3
163.11365	1.3
164.04820	1.8
168.00620	1.8
209.11797	12.7
227.12817	3.1
229.04984	2.4
230.05360	1.7
231.06577	1.8
233.04738	1.5
249.13406	62.2
250.10893	1.5
250.13766	3.1
265.07175	1.6
275.05615	3.8
286.61670	1.1
293.06458	2.3
309.12094	5.2
312.96506	1.3
315.07239	5.0
392.10535	2.6
395.19165	100.0
396.19443	7.1
408.77597	1.1
455.10791	36.3
455.16351	8.1
456.10410	2.5
456.16211	2.1
472.69720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20778	1.0
55.01876	2.6
57.03437	2.1
58.00585	1.1
59.01378	56.1
61.69078	1.1
61.98830	34.8
66.97984	1.1
69.03453	1.1
69.55113	7.5
71.01379	31.5
72.99295	1.7
73.02946	13.4
75.00863	1.8
78.95887	1.6
79.95731	7.1
83.01377	12.3
83.05032	1.7
85.02951	18.9
86.00044	1.1
87.00868	2.5
89.02422	6.8
93.03449	2.3
95.01351	2.1
95.05030	1.6
96.96005	74.1
98.95570	2.2
99.00894	6.9
101.01768	2.2
101.02438	40.6
102.42408	1.2
103.04018	1.5
108.02180	13.0
109.02952	12.3
111.00900	2.8
113.02441	14.0
113.06146	1.3
117.03408	2.9
119.03524	2.6
119.04931	1.4
121.02971	3.5
123.04504	2.4
125.02445	9.5
129.01921	1.9
133.02974	1.3
135.04549	1.9
137.02438	4.4
139.04057	1.4
143.03441	1.3
145.02963	11.2
147.04515	1.1
147.06654	1.5
149.02354	1.4
151.00348	1.3
151.04002	3.8
152.01178	15.2
152.99649	1.5
153.01930	7.1
159.03018	2.3
161.02451	1.8
161.04532	11.3
161.05911	1.7
163.03999	4.3
163.11365	1.3
164.04820	1.8
168.00620	1.8
209.11797	12.7
227.12817	3.1
229.04984	2.4
230.05360	1.7
231.06577	1.8
233.04738	1.5
249.13406	62.2
250.10893	1.5
250.13766	3.1
265.07175	1.6
275.05615	3.8
286.61670	1.1
293.06458	2.3
309.12094	5.2
312.96506	1.3
315.07239	5.0
392.10535	2.6
395.19165	100.0
396.19443	7.1
408.77597	1.1
455.10791	36.3
455.16351	8.1
456.10410	2.5
456.16211	2.1
472.69720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.2
61.98830	3.7
71.01373	2.0
71.62984	0.6
72.99358	0.5
73.02951	0.6
79.95731	22.2
85.02914	0.6
85.06604	0.5
89.02460	2.9
93.03413	0.7
95.95224	12.8
96.96002	100.0
101.02419	1.7
108.02160	3.7
109.02942	2.1
110.97565	3.6
113.02405	0.6
117.03448	1.9
119.03497	0.5
119.05054	1.2
120.99609	0.6
123.04514	0.8
131.07205	0.6
135.04527	0.7
136.01602	0.6
137.02455	5.0
137.85255	0.5
141.95750	2.1
145.02937	6.2
146.03406	0.9
149.99901	3.6
151.03955	1.7
152.01204	2.8
153.01910	1.9
161.02426	1.6
161.06055	0.6
163.03967	2.1
165.05574	0.6
176.04802	0.6
177.01927	1.3
191.07095	1.2
265.07150	1.2
267.06503	0.7
278.05621	0.6
279.13190	0.6
315.07166	0.6
327.12213	1.7
331.04980	2.4
398.03329	0.6
437.09259	2.7
440.08563	0.7
455.10123	62.3
456.10556	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	455.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67158	0.7
54.72627	0.9
59.01374	12.8
61.98824	9.9
70.33987	3.5
71.01377	8.0
73.02931	1.4
77.66579	0.8
79.95751	4.6
83.01363	1.1
85.02956	3.4
89.02433	10.5
93.03452	1.3
93.56232	0.9
95.01397	1.6
95.09393	0.8
95.95218	1.9
96.96006	57.6
99.00882	0.9
101.02446	6.1
108.02178	3.5
109.02950	31.5
110.97589	1.0
111.00870	2.7
113.02434	3.4
114.06183	0.8
117.03451	2.4
119.03499	5.0
119.05029	4.8
121.02940	2.3
123.04521	2.4
124.01637	1.4
131.07133	1.1
133.06554	1.0
137.02431	2.6
145.02936	10.2
151.03996	2.8
152.01155	18.8
153.01930	49.4
154.02269	1.2
161.02451	2.4
161.06073	2.9
163.03957	5.5
167.03452	1.7
177.05574	1.2
179.03409	1.1
179.28873	0.8
191.05714	1.2
195.02963	83.1
196.03310	2.9
205.05064	4.4
210.26129	1.0
225.04008	1.0
235.06119	3.1
255.05075	63.1
256.05426	3.6
265.07098	6.9
274.55887	1.0
319.10287	16.5
320.10794	0.9
325.09109	2.5
411.12875	4.8
455.11713	100.0
456.12079	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98372	0.1
58.36829	0.2
59.01381	1.6
61.98828	0.2
64.68580	0.1
69.58416	1.2
69.71740	0.1
71.01379	0.6
73.64622	0.2
83.69585	0.2
89.02405	0.2
101.02414	0.2
105.04492	0.2
113.02423	0.2
115.05535	0.3
117.03456	25.5
118.03773	0.9
119.05017	6.1
119.05888	0.2
120.05379	0.2
121.02985	0.2
122.12589	0.2
125.02422	0.2
131.05008	0.7
132.05769	0.3
133.06590	0.8
144.36159	0.2
145.02937	100.0
146.03278	3.7
147.04507	2.3
158.03658	0.2
159.04520	0.9
161.04736	0.4
161.06067	4.3
163.03999	10.6
164.04315	0.6
167.10794	0.2
187.03993	4.2
189.05533	0.5
195.10237	0.2
205.04991	0.7
242.93105	0.2
247.06180	0.2
277.06049	0.2
419.12616	0.3
455.13336	2.9
455.19006	0.6
455.26105	0.3
455.35300	0.2
456.13867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31168	0.2
59.01364	0.5
60.26240	0.2
61.98816	0.2
66.66241	0.2
69.36324	1.8
71.01363	0.4
79.95730	6.6
87.09825	0.2
93.03440	0.2
96.96001	100.0
97.95943	0.3
101.02431	0.4
108.02181	0.4
109.02946	0.4
110.97564	0.5
117.03446	0.5
119.04990	0.6
121.02921	0.5
125.02407	0.6
125.06054	0.2
125.73759	0.2
130.00418	0.3
137.02438	0.9
145.02942	1.2
151.03940	0.3
152.01099	0.5
153.01904	0.2
161.02425	0.8
163.03969	0.5
164.04741	0.3
176.04730	0.3
191.07159	0.4
208.46803	0.2
224.99072	0.2
227.79048	0.2
239.07291	0.2
267.06512	2.2
268.06967	0.2
282.08963	1.6
293.06534	0.2
297.11356	0.4
309.11835	0.5
330.11069	0.5
334.24896	0.2
410.23978	0.2
455.10110	39.9
456.10284	2.9
456.15488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2129
Annotation	[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Peak:m/z	Relative Intensity
50.98104	0.4
55.36865	0.4
57.03449	0.7
59.01376	100.0
60.01711	0.9
61.98825	1.8
70.53507	1.4
71.01376	3.8
73.02944	1.3
83.01388	1.0
85.02946	2.2
89.02463	1.3
93.03457	0.8
95.01406	0.5
96.96014	1.1
99.00860	0.6
101.02445	3.0
109.02968	1.1
113.02435	2.0
113.60085	0.4
117.03473	1.6
119.05003	0.9
121.02938	0.7
125.02444	2.5
137.02460	2.3
138.02780	0.8
139.03029	0.4
145.02943	9.7
146.03296	0.7
147.04524	1.1
151.04079	0.5
157.55647	0.4
161.04565	3.3
161.05945	0.6
163.03992	0.9
173.09810	0.5
179.03510	0.4
213.27293	0.4
353.69965	0.4
386.94470	0.4
393.19138	3.6
394.19699	0.6
415.13950	3.9
453.20547	3.5
454.06848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
59.63374	0.7
61.98825	100.0
64.17292	0.6
69.34914	6.4
69.73853	0.6
81.03436	3.7
83.01376	0.6
91.54931	0.6
98.20571	1.1
125.02443	4.8
152.43721	0.7
158.33339	0.7
165.13000	0.8
207.39615	0.7
285.70718	0.7
347.25836	3.9
391.24866	38.8
392.25159	4.6
398.84259	0.7
455.35263	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	453.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03441	1.0
58.84185	0.9
59.01373	26.3
61.98820	18.6
63.99273	1.1
70.34746	3.5
71.01374	22.3
72.99289	1.4
73.02937	7.7
75.38763	1.0
83.01372	3.3
85.02940	10.7
87.00867	3.0
89.02435	100.0
95.01355	1.7
96.96005	10.5
97.02961	1.3
99.00862	3.7
101.02432	24.8
109.02949	1.3
113.02428	10.2
119.03447	1.4
119.04969	1.9
120.99647	5.1
121.02961	2.1
124.04046	1.2
125.02430	1.8
133.05093	7.0
137.02434	2.1
145.02907	2.9
158.88898	0.9
159.02888	2.7
161.04555	14.5
163.03990	1.5
165.01894	7.7
179.03494	3.0
179.07092	2.8
180.04245	4.1
181.05156	1.2
195.06682	5.2
201.30020	1.0
225.07607	5.8
261.13483	1.7
277.12875	67.7
278.13245	3.1
289.07190	2.2
292.11710	1.7
349.14896	3.8
390.18588	4.7
393.17535	11.4
405.15347	2.3
453.18100	1.6
453.23245	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	453.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.11969	0.9
57.03436	2.8
58.00576	1.4
59.01370	25.5
61.98820	3.3
69.20568	1.0
70.59187	1.8
70.59534	1.9
71.01369	21.0
72.99294	2.5
73.02934	7.2
74.70593	0.8
74.94550	1.0
83.01389	3.4
85.02939	10.5
87.00873	2.4
88.98787	0.8
89.02433	100.0
90.02747	1.6
95.01379	1.5
96.39796	0.8
96.95995	10.5
99.00856	2.2
101.02435	22.2
108.02116	1.1
109.03000	1.3
111.08176	1.1
113.02426	11.8
115.72139	0.9
119.03483	2.1
120.99599	1.2
125.02423	1.1
125.06042	1.4
133.05061	3.4
137.02434	1.4
145.02921	3.0
153.01945	1.0
159.02969	2.6
161.04532	15.0
165.01912	3.2
173.08226	1.4
179.03439	1.4
191.05598	1.8
195.06638	3.7
201.44106	0.9
212.07014	0.9
225.07701	2.0
247.09660	1.1
277.12881	74.1
278.13300	4.5
325.98035	1.1
349.14868	3.4
453.12521	1.2
453.18100	18.5
454.18082	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	453.1429
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
59.01374	11.9
61.16542	0.3
69.30621	0.2
69.31403	2.1
71.01361	5.1
72.99307	0.6
74.27492	0.3
79.95731	3.3
80.96506	1.3
83.01402	0.6
85.02934	1.3
87.00842	0.4
89.02437	8.2
91.04148	0.3
95.01343	0.4
95.95213	1.3
96.95999	62.7
98.20654	0.6
101.02433	4.6
113.02429	2.1
119.03507	2.7
122.97555	0.4
133.02966	0.4
137.63596	0.3
138.97075	1.5
145.02884	0.6
150.97035	1.0
161.02434	0.3
164.98593	0.6
175.74191	0.3
177.98608	0.3
179.05704	0.3
180.98116	0.7
190.76193	0.3
193.12302	1.3
198.99132	0.7
204.40996	0.3
205.68013	0.3
208.19789	0.3
211.13477	0.5
241.00249	3.1
274.06982	0.4
453.14291	100.0
454.14636	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	453.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03436	0.8
58.17432	0.4
59.01376	5.2
61.98818	1.1
69.03452	2.1
71.01377	5.5
73.02940	2.0
73.86053	0.5
81.03458	0.6
83.01376	2.5
85.02943	3.2
87.00870	0.8
96.96004	3.7
97.02930	2.0
98.95615	2.8
99.00887	0.7
101.02431	4.5
103.14949	0.4
105.03450	0.5
107.01387	1.1
113.02460	2.2
117.03455	1.8
123.00875	0.8
125.02432	53.7
126.02771	1.0
132.02159	15.3
133.02975	2.9
134.03731	17.3
135.04500	0.6
137.02419	1.0
145.02937	6.2
149.06084	2.6
160.01642	80.4
160.44257	0.4
161.01962	3.1
161.04497	0.7
175.03979	100.0
176.04305	4.5
177.01872	0.6
178.02643	1.0
179.03490	1.4
183.10291	0.5
193.05038	20.5
194.05331	0.8
226.25499	0.5
235.06088	0.8
272.11530	0.4
281.28009	0.5
287.07578	0.9
295.08252	0.5
307.13748	1.0
438.15100	1.0
453.17587	93.0
454.17926	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	451.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	88.0
61.98838	23.0
69.62383	95.9
71.01370	44.5
73.02969	19.6
77.31609	13.9
78.73097	14.8
82.06882	13.9
85.02934	24.9
85.06560	18.3
93.03446	23.8
96.95995	93.7
98.19899	33.0
101.02412	28.7
109.02946	14.2
113.02422	26.3
117.03458	26.9
120.99649	15.8
125.02467	17.3
131.07111	100.0
137.02431	19.1
145.01964	16.0
145.02924	73.9
161.02489	21.0
161.04597	18.7
191.05659	40.4
203.26782	14.2
341.06500	33.7
451.15601	50.7
451.21100	84.2
451.28888	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	451.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13902	0.9
55.01869	1.5
59.01373	18.8
60.41880	0.8
60.99302	1.0
61.98825	6.9
68.99819	1.2
69.03397	1.0
69.78508	5.1
69.81905	0.9
71.01373	14.2
72.01679	1.0
73.02927	2.4
75.71805	1.0
83.01366	2.3
84.79887	0.9
85.02937	4.3
87.00871	1.6
89.02440	8.1
93.03451	33.3
94.03786	2.4
95.01375	2.2
96.96012	2.5
96.99267	0.9
99.00908	1.6
101.02435	8.6
108.02146	1.7
109.02937	1.2
113.02438	3.5
117.03486	1.9
119.03493	2.1
119.05026	1.5
121.02931	2.5
125.02401	1.8
131.05020	1.4
134.03807	0.8
135.04474	2.1
136.01645	4.1
137.02435	74.1
138.02815	2.1
145.02948	11.1
147.04507	9.6
148.04874	5.0
149.05008	1.8
161.06070	7.6
162.06430	3.3
163.03922	1.3
163.06589	3.0
173.04520	2.0
174.04852	1.9
179.03452	6.9
189.01930	1.0
189.05566	1.6
190.05800	1.5
191.05617	1.3
221.04575	1.6
239.05658	4.1
253.05031	17.9
254.05319	1.6
289.17972	1.8
295.24496	0.9
341.06711	1.1
451.14835	8.7
451.19772	100.0
452.19910	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	451.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86219	0.3
55.87561	0.4
59.01375	32.7
59.10032	0.3
61.98820	0.9
62.48083	0.3
71.01370	1.6
71.63256	0.6
85.02952	0.9
87.04505	100.0
88.04873	1.6
88.05382	0.4
89.02429	1.3
91.24748	0.3
93.03429	0.4
94.95874	0.3
95.01349	0.4
101.02443	2.5
108.02168	1.0
109.02936	1.0
113.02430	2.5
117.03439	1.1
119.03484	1.5
119.05027	0.5
121.02942	1.2
123.04500	1.0
125.02451	0.9
135.04536	1.0
137.02419	0.8
145.02945	5.6
151.00351	1.2
152.01115	0.3
157.01216	0.4
161.04576	0.7
163.03961	0.4
183.10231	0.4
199.03934	0.6
229.14391	7.0
248.45876	0.3
271.15192	0.3
285.04031	1.3
287.05655	1.2
307.08200	1.1
415.14026	1.8
451.10275	0.5
451.23746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
50.21144	0.1
62.96402	0.3
66.29379	0.2
71.19151	0.4
73.27364	0.2
78.95901	20.5
79.68798	0.1
95.26395	0.1
95.44575	0.2
96.96938	0.3
122.00128	0.9
122.98520	0.2
140.01181	5.4
152.99547	1.4
154.25374	0.2
155.04950	0.2
166.02762	0.3
171.00676	0.4
196.03789	9.4
197.04092	0.2
214.04887	2.1
243.87041	0.2
255.23271	100.0
256.23593	7.6
348.16125	0.2
364.97366	0.2
452.27777	32.2
453.28064	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28244	0.3
57.97557	38.8
59.01375	3.5
61.98833	1.5
63.96210	0.5
68.72565	0.3
69.59061	0.6
69.59467	1.8
71.01380	1.3
73.02953	0.4
83.01381	0.4
85.02946	0.6
87.00890	0.5
89.02431	1.3
96.96004	1.5
99.00826	0.4
101.02428	1.2
107.04980	0.4
113.02480	0.6
117.03467	0.4
119.05029	0.5
123.04520	0.4
124.48848	0.3
125.02458	0.4
125.03554	0.5
131.07123	1.4
135.04538	0.3
135.98351	0.8
137.02441	1.1
140.00490	2.1
141.01280	100.0
142.01564	1.4
145.02956	1.2
151.03992	1.2
153.05565	1.1
161.02457	0.7
161.04475	0.4
163.03996	0.5
165.01927	4.4
165.03250	0.5
165.05565	1.1
165.98441	0.5
179.03461	1.5
180.04274	3.5
183.02374	0.3
185.00273	1.4
191.05577	0.6
194.05847	0.6
195.06621	3.5
205.05034	0.7
211.17200	0.3
212.06882	0.4
213.06660	0.5
225.07619	3.3
227.09213	0.7
235.06282	0.3
247.05409	6.3
248.05540	0.5
249.04044	1.0
273.06598	0.4
274.10620	0.4
345.13235	0.3
405.15512	1.8
409.10724	7.1
410.11130	0.8
435.08304	0.3
453.09692	18.4
453.17786	4.5
454.09906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1967
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
55.01873	0.9
57.03423	0.9
59.01374	11.3
60.70940	0.6
61.98833	0.7
66.91761	0.6
69.28735	0.9
69.29149	4.5
71.01374	10.1
72.99294	0.9
73.02940	2.2
73.57685	0.5
83.01397	1.7
85.02948	4.1
87.00921	0.6
89.02425	4.5
93.03445	25.0
94.03765	1.3
95.01368	2.5
96.95981	1.9
96.99323	0.9
99.00896	0.8
101.02423	6.5
108.02188	1.5
109.02942	1.1
113.02439	3.7
117.03445	1.0
119.03474	1.0
119.05011	0.7
121.02924	3.0
123.04525	1.1
127.65513	0.5
135.04539	0.8
136.01648	4.2
137.02428	64.6
138.02754	2.4
145.02922	4.3
147.02640	0.6
147.04468	0.6
151.03984	0.9
160.03816	0.6
161.04565	0.6
161.91217	0.5
163.04027	0.9
173.04463	0.6
177.01945	1.5
179.03450	4.1
189.01968	1.4
191.03529	0.9
191.05557	0.8
193.06093	1.0
194.28987	0.6
217.01349	1.7
221.04495	0.9
239.05562	1.9
281.06583	1.1
289.07193	1.0
301.07080	0.7
341.06546	3.9
451.19708	100.0
452.19949	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	451.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42534	1.6
59.01369	4.7
71.62646	2.3
78.33212	1.4
85.14551	1.3
95.05042	4.3
96.96009	3.5
109.40092	1.7
118.96650	1.7
121.10239	5.2
125.02444	4.2
132.98225	1.7
145.01675	1.7
149.09706	2.0
224.82573	1.4
253.21599	3.0
254.22057	3.8
265.03848	2.5
269.07086	10.9
279.05527	3.0
354.10046	4.7
391.17984	100.0
392.18378	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	451.1982
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
54.56929	0.6
55.01870	1.2
57.03432	1.5
59.01090	0.7
59.01379	11.5
60.99284	0.8
61.98826	3.0
67.01884	0.9
68.02222	0.6
68.99807	1.1
69.03478	1.0
71.01375	12.9
71.62796	0.6
71.63193	0.7
72.99305	1.0
73.02937	4.5
75.00837	0.6
78.95892	2.5
83.01392	3.0
83.04990	0.9
85.02956	7.2
87.00867	2.8
87.04528	0.6
88.03249	0.5
89.02455	3.7
93.03451	30.3
94.03792	2.0
95.01389	2.2
96.96011	2.1
96.99285	0.8
99.00883	2.0
101.02434	10.1
108.02174	1.3
109.02947	1.4
111.04500	1.3
113.02430	5.2
117.03468	1.6
119.03471	0.5
119.05016	1.1
120.99652	0.9
121.02952	2.3
123.04430	0.5
125.02422	1.7
134.03699	0.7
136.01637	2.6
137.02434	63.5
138.01886	0.7
138.02788	1.5
139.24126	0.5
145.02951	7.2
147.04523	1.7
151.03976	0.6
152.99570	2.4
161.02438	0.8
161.04570	1.2
161.06009	0.8
162.03284	0.5
162.85291	0.5
163.03934	1.0
167.03493	0.5
167.10738	0.5
169.12234	0.5
173.04456	4.0
174.04921	1.3
175.04996	1.8
177.05470	0.7
179.03500	2.1
179.14420	0.6
183.10141	0.6
191.03488	1.0
195.13881	1.1
197.11732	0.5
205.12286	0.9
209.04601	0.7
221.04570	0.9
223.13419	6.7
225.11272	0.6
239.05580	1.1
281.06607	1.9
345.90820	0.5
347.18658	0.7
429.39157	0.5
451.19714	100.0
452.19998	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	451.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	1.9
59.01374	31.0
60.01704	1.8
61.98825	100.0
69.78185	7.4
70.63229	1.2
71.01368	11.5
72.99316	1.3
73.02946	3.5
74.99094	2.7
75.00871	1.3
85.02947	4.3
87.00884	3.5
89.02435	15.6
91.04733	1.2
91.25684	1.3
93.03470	2.2
96.95986	4.1
98.19870	2.5
99.00870	2.4
101.02435	11.2
109.02956	1.3
113.02468	2.3
119.03485	3.5
121.02971	1.5
136.99040	1.4
137.02415	2.0
142.40572	1.1
145.02933	5.2
149.04550	7.7
149.62132	1.2
153.01962	1.6
161.04521	2.8
165.07307	1.3
165.33820	1.4
179.05577	1.9
180.29385	1.2
191.05560	5.1
193.06064	1.3
251.07574	1.9
260.84750	1.3
289.06955	1.4
386.89529	1.5
391.22397	3.4
413.14597	4.5
415.15903	12.8
451.13995	12.6
451.15878	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	451.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	37.4
59.96806	3.1
61.98825	100.0
63.33397	3.0
63.53660	3.0
64.81387	3.4
69.03467	2.9
71.01363	13.4
71.62814	4.6
73.45469	3.3
74.99083	7.9
75.51694	2.9
83.07068	3.3
85.02939	9.5
89.02438	10.2
92.70752	3.3
93.03448	4.5
95.01365	3.5
96.96017	5.2
98.84285	3.5
101.02435	12.0
108.02122	4.8
109.02937	12.8
113.02470	5.6
117.03451	12.6
118.60697	3.5
119.05024	9.5
120.99692	4.6
121.02990	5.8
123.04561	4.3
133.05034	10.9
139.04045	21.4
145.02942	78.0
146.03284	4.0
149.02460	9.2
150.03246	18.6
151.03943	10.3
152.01146	5.7
153.01926	5.9
161.13504	3.6
163.04036	13.2
165.05554	19.5
195.06531	8.8
227.07089	31.2
228.10231	7.1
240.04253	33.2
245.08134	6.9
255.06619	4.1
265.05035	5.9
267.06622	10.6
269.08127	4.4
270.08926	6.0
271.05997	10.8
283.06085	15.1
295.06042	37.8
298.08490	42.2
310.08356	29.3
313.10815	52.9
325.10730	37.8
326.11261	6.3
328.09628	3.6
361.12823	62.7
362.13135	5.8
373.12823	46.8
413.14511	58.2
415.15155	5.7
451.08270	6.4
451.17313	7.5
451.28946	5.8
452.09045	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64673	0.5
55.01876	1.0
58.75667	0.5
59.01093	0.7
59.01379	13.5
61.98848	0.6
68.99815	0.5
69.03433	0.6
69.30544	5.0
71.01378	9.7
72.99316	0.7
73.02936	2.1
83.01379	1.3
84.70963	0.5
85.02942	4.2
87.00857	0.7
89.02434	4.4
93.03449	28.4
94.03765	0.7
95.01388	2.5
96.96011	1.4
96.99295	0.8
99.00869	0.7
101.02431	7.5
108.02173	1.6
108.67495	0.5
109.02949	1.9
113.02439	3.7
117.03447	1.4
119.03502	1.3
119.04989	0.6
121.02948	2.1
123.04482	1.1
125.02454	0.9
135.04562	0.9
136.01653	4.7
137.02432	65.7
138.02768	2.2
145.02948	4.9
147.04486	1.0
151.03970	1.4
163.03976	1.0
173.04579	0.7
177.01924	0.6
177.05504	1.0
179.03484	4.8
189.01868	1.7
191.03532	0.9
191.05653	0.8
191.36639	0.5
192.05902	0.9
193.51724	0.6
193.99654	0.6
205.05042	0.8
206.10463	0.5
217.01324	0.9
221.04475	0.9
231.02745	0.5
239.05562	2.2
281.06772	0.7
289.07184	0.7
341.06738	2.9
451.19739	100.0
452.20044	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	451.1239
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.36371	0.4
57.03439	1.8
59.01374	3.5
61.98821	2.2
69.63428	0.8
69.63831	2.1
71.01357	1.1
75.00855	0.5
77.37216	0.4
77.61695	0.4
79.95715	0.5
81.03447	2.2
83.01375	3.0
85.02956	1.2
89.02443	1.1
93.03451	1.2
95.01361	0.5
95.05022	2.6
96.96001	26.4
97.02941	4.4
98.19854	0.6
99.04520	0.5
101.02432	1.7
108.02206	0.5
109.02945	18.0
110.03291	0.6
110.16295	0.4
110.21679	0.4
111.04483	0.6
121.02926	2.4
121.78134	0.5
122.03751	1.1
123.04519	12.4
125.02431	14.2
133.02916	0.7
135.04506	1.9
136.99091	0.4
137.02432	17.5
138.03133	0.4
139.04012	3.3
143.03459	0.5
145.02942	1.3
146.03676	0.6
147.04442	0.4
149.02428	5.0
150.03165	1.2
151.03998	8.5
159.04512	2.2
161.02451	5.8
161.04713	0.8
161.06032	4.6
162.03261	1.1
162.06454	0.6
163.03983	2.1
164.01151	2.6
165.01909	8.4
166.02660	0.5
167.03452	1.5
173.06001	0.6
175.04037	1.9
175.07623	1.4
177.05495	0.4
178.80185	0.5
179.03494	5.6
179.05650	1.0
181.05075	0.7
182.79204	0.4
184.05284	0.4
185.06090	0.8
187.03975	3.6
188.04764	4.1
189.01961	2.1
191.03793	0.6
191.05579	3.5
199.07678	0.5
202.06320	1.3
203.03430	0.9
203.07101	11.0
204.07376	0.7
205.05037	6.7
217.04967	0.5
221.08148	1.8
226.06372	2.5
227.07077	1.9
230.05655	0.5
231.02930	0.8
241.08644	2.9
245.08148	17.6
246.08502	1.3
247.06079	0.7
271.06128	1.6
289.07153	100.0
290.07501	8.0
299.07629	1.7
308.88104	0.4
313.07080	1.9
353.08868	1.0
356.44394	0.5
394.24359	0.4
451.12552	10.2
452.12802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42879	0.5
52.59160	0.6
55.52991	0.5
57.03403	2.4
57.03660	0.6
59.01380	4.1
60.91703	0.6
61.98823	3.3
65.68242	0.5
69.03423	1.3
71.01360	3.5
71.62608	1.0
72.99257	0.5
75.00843	0.7
75.48780	0.5
79.95689	1.3
81.03455	3.5
83.01384	5.4
85.02904	1.2
87.00836	0.6
89.02386	2.6
93.03412	2.4
95.01314	0.6
95.05019	3.4
96.96000	38.9
97.02432	0.7
97.02943	8.9
99.04465	0.9
101.02399	2.1
105.03437	0.6
107.04997	1.3
109.02940	24.7
110.03261	0.9
111.00813	2.1
111.04470	1.1
113.02380	0.8
119.03491	1.0
120.99590	0.9
121.02275	0.5
121.02933	6.2
122.03702	2.4
123.04515	19.9
125.01513	0.6
125.02433	20.3
133.02898	2.0
135.04466	2.0
137.02428	33.3
138.02800	1.0
139.03981	4.8
143.04953	0.8
145.02888	1.0
146.03651	1.6
147.04520	1.4
149.02431	7.5
149.05894	0.6
150.03136	2.3
151.03984	14.8
151.81244	0.6
157.06638	0.7
159.04521	2.7
160.05228	1.6
161.02411	5.1
161.04659	1.0
161.06046	7.1
162.03156	2.4
163.03914	1.9
164.01132	4.6
165.01923	11.0
165.05518	1.4
166.02599	1.6
167.03415	2.1
173.06009	1.3
174.03207	0.9
175.03954	5.0
175.07607	3.1
177.05473	0.9
179.03453	7.9
179.05016	0.7
179.05586	0.6
181.04996	1.1
185.05965	1.6
187.04021	6.2
188.04744	5.1
189.05502	0.7
190.91026	0.7
191.05594	6.5
193.04991	0.5
195.04752	0.6
195.06447	0.9
199.07629	1.0
201.05624	0.8
202.06306	3.0
203.03465	0.6
203.07111	18.2
204.04233	0.7
204.07375	1.1
205.03270	0.8
205.05035	11.8
209.04475	1.2
212.04712	1.1
213.05557	0.7
217.08784	0.8
221.08095	5.3
227.07080	2.7
230.05786	1.2
231.02946	1.2
239.05537	1.1
241.00117	1.3
241.04939	4.3
245.08145	32.1
246.08418	2.2
247.06024	2.6
250.98904	0.6
256.07355	3.9
271.06146	3.0
271.09683	7.0
289.07141	100.0
290.07529	7.3
313.09402	1.2
319.11639	1.1
353.08780	1.2
355.10150	1.6
405.21237	1.2
451.12411	58.6
452.12915	6.4
464.76724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01373	1.6
61.98830	1.1
69.03461	0.5
71.01363	1.1
71.61868	0.5
79.95731	1.2
81.03451	1.7
83.01386	2.0
88.98794	0.5
89.02443	1.1
93.03442	1.4
95.05009	2.5
96.96002	38.9
97.02938	4.9
98.95560	0.4
99.04521	0.4
108.02148	0.9
109.02942	18.2
110.06335	0.4
113.02432	0.8
120.99652	0.7
121.02941	2.5
123.04514	11.0
124.04811	0.5
125.02440	14.7
133.02931	0.6
135.04500	1.6
137.02435	9.9
137.57809	0.4
139.04008	3.2
145.02927	1.3
146.03693	0.8
147.04498	0.5
149.02422	5.9
150.03200	1.2
151.00351	0.6
151.03987	7.4
159.04532	2.1
160.05232	1.2
161.02379	1.6
161.04677	0.7
161.06075	3.5
162.03183	0.8
163.03992	1.5
164.01108	2.5
165.01915	3.6
166.02435	0.4
167.02191	0.5
167.03455	1.9
173.06110	0.6
174.03174	0.5
175.03946	1.7
175.07573	1.2
177.05516	0.7
179.03473	6.0
185.06125	1.1
187.04010	4.0
187.39565	0.4
188.01128	0.8
188.04745	2.9
189.01875	0.6
191.05580	4.5
199.07655	0.8
201.05513	0.6
201.21117	0.4
202.06287	1.8
203.03438	0.8
203.07126	11.3
205.05037	7.0
212.04645	0.5
217.05148	0.7
217.08690	0.5
221.08136	2.3
227.07094	1.9
231.03036	0.6
245.08173	15.2
246.08528	1.1
247.06058	0.9
271.06174	1.8
271.09149	0.5
289.07147	100.0
290.07501	7.4
313.07199	2.1
353.08554	0.6
355.08109	0.7
451.12503	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	451.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72883	0.4
59.01091	0.6
59.01371	9.0
61.98824	2.4
67.07896	0.4
67.95158	0.3
71.01369	3.0
73.02930	0.6
81.03480	0.4
83.01392	0.5
85.02939	1.9
87.00860	0.8
89.02408	1.9
91.01880	0.5
93.03457	2.6
95.05014	1.2
96.95992	3.0
98.20651	0.7
101.02419	2.0
103.05505	0.9
105.03409	0.5
108.02168	1.2
109.02943	22.5
110.03268	0.8
113.02454	1.0
117.03436	1.9
119.03513	0.5
119.05019	1.9
121.02918	0.9
123.04514	11.7
124.04842	0.5
125.02409	1.4
131.07118	0.7
132.02179	2.0
133.02945	4.3
134.03751	1.8
135.00879	0.4
135.04527	0.5
137.02446	2.3
143.03508	0.6
145.02940	6.2
147.04518	3.7
149.02444	1.0
150.03210	0.8
151.03987	6.2
153.01932	0.7
159.04492	1.5
160.01627	10.2
161.02422	5.8
161.04565	0.8
161.05992	0.5
162.03172	0.5
163.03938	1.7
165.01987	0.4
175.03978	12.1
175.05484	0.8
176.00986	0.7
177.01907	25.1
178.02254	0.6
179.03537	0.8
187.03976	1.4
189.01901	51.4
190.02654	10.8
191.03458	11.3
191.05569	5.4
192.05942	2.4
193.04790	0.8
193.06024	2.6
201.01938	0.5
203.03441	5.4
216.00603	8.5
217.01372	33.9
218.02071	3.1
219.02950	12.1
220.03407	0.7
225.77234	0.4
228.07027	0.4
229.07021	0.4
231.02933	11.2
232.03476	1.0
233.04498	1.4
257.08389	0.6
258.08405	0.7
259.08649	0.4
281.04443	1.1
287.05609	0.5
289.07101	1.8
297.07571	0.8
299.05600	1.7
317.15781	0.4
323.05545	1.4
341.06598	100.0
342.06946	8.1
391.23096	1.3
434.95132	0.4
450.27805	0.8
451.10257	29.4
451.16037	10.0
451.20981	1.4
451.28162	0.7
452.10672	3.9
452.16525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
63.24127	0.7
68.59728	0.7
69.03461	1.2
69.69507	3.8
71.01385	1.1
77.53087	0.7
85.02950	0.9
92.84740	0.8
93.03449	32.2
94.03754	0.9
95.01391	1.0
96.96020	2.7
97.02954	1.3
98.19855	1.1
101.02435	0.7
102.06346	0.8
107.01376	1.2
113.02375	1.0
117.03434	1.2
119.78105	0.8
123.00881	4.4
124.01649	16.3
124.02480	1.5
125.02438	31.3
136.01596	1.4
137.02428	59.6
138.02757	2.2
145.02928	5.3
149.99565	32.0
151.00308	2.3
167.03426	1.1
168.00621	67.7
169.01384	7.1
193.01199	0.8
227.03514	3.9
287.36072	1.0
295.04404	0.8
313.05609	18.8
313.09210	1.0
331.06656	35.1
332.06937	1.6
451.08768	100.0
451.19516	4.9
452.09122	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	451.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
59.01376	5.2
61.52069	0.6
61.74296	0.7
63.51082	0.6
68.99799	1.4
70.01663	2.0
70.02077	1.1
70.60876	0.6
71.01360	2.2
72.99308	3.6
75.00864	8.1
78.97595	0.7
80.96489	1.0
83.01373	2.9
84.99273	0.9
85.01010	1.2
85.57838	0.6
86.85605	0.6
87.00855	1.2
89.02438	2.2
96.95991	0.8
99.00874	2.7
101.02439	1.0
103.00363	6.3
108.90186	17.1
111.00861	1.1
112.98803	17.1
113.25042	0.6
115.00368	1.8
115.02096	1.5
117.01933	1.5
124.98809	0.8
125.02438	3.1
127.00376	0.8
127.02028	0.6
129.01923	1.1
142.99850	1.3
143.01550	1.6
145.01421	9.2
157.01431	1.4
171.01048	3.6
231.03122	18.9
232.03493	1.6
263.05734	5.5
289.07028	1.2
303.01724	5.0
303.04993	1.0
335.04248	1.5
359.04346	4.7
365.08722	1.0
391.06903	2.3
394.28189	0.8
419.06296	1.5
451.08957	100.0
452.09406	8.1
458.01120	0.7
464.50931	0.8
464.72949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84692	0.7
59.01374	9.2
60.01708	0.8
61.98826	8.1
69.49982	4.7
71.01400	1.5
73.02980	0.8
80.39906	0.6
81.19869	0.6
83.01389	0.9
89.02466	1.8
89.03940	0.7
95.05019	0.9
101.02444	1.3
108.02174	0.8
109.02937	24.7
109.03664	1.2
110.03265	0.7
117.03488	1.2
119.04975	1.3
123.04522	12.0
125.02456	1.3
128.30879	0.7
133.02951	4.5
134.03699	1.3
137.02400	1.4
145.02977	2.7
147.04507	2.6
149.02423	1.6
150.03271	1.0
151.04016	7.2
153.79596	0.7
159.04501	2.0
161.02435	8.1
162.03227	3.3
162.51015	0.7
163.03995	2.6
169.89600	0.7
173.02548	1.0
175.03966	1.1
176.01096	0.7
177.01906	29.1
187.03970	2.7
188.04678	1.2
189.01910	39.7
190.02670	11.3
191.03479	6.5
203.03468	3.5
216.00604	6.8
217.01373	24.8
218.02025	2.9
219.02951	9.6
227.07086	1.6
229.08739	1.6
231.02968	6.8
232.03621	0.9
245.08092	0.8
255.06483	1.3
281.04422	6.0
287.05478	1.6
289.07166	2.6
297.07794	3.2
299.05536	8.1
323.05469	1.4
341.06616	100.0
342.06912	7.0
368.91394	0.7
391.22632	0.9
451.10281	23.5
451.20923	1.5
452.10651	3.3
466.45334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0699
Annotation	glycosmisic acid sulfate
Peak:m/z	Relative Intensity
57.03483	0.2
59.01091	0.3
59.01375	5.2
60.01706	0.3
61.98824	4.0
70.09144	0.7
70.09512	0.3
71.01372	1.7
72.01723	0.2
73.02943	0.3
78.91866	0.6
79.95731	4.9
83.01360	0.2
85.02942	0.6
87.00886	0.2
89.02435	1.1
93.03456	0.8
96.96001	100.0
97.95937	0.5
101.02451	0.7
108.02163	0.3
110.97579	0.4
113.02438	0.5
117.03423	0.4
119.03487	0.3
119.05021	0.4
120.99650	0.5
121.02869	0.2
123.04505	0.6
125.02450	0.3
131.07123	3.0
133.02936	0.3
137.02415	1.4
145.02939	1.4
150.03210	0.3
153.09268	0.2
160.01604	1.2
161.04565	0.4
163.04008	0.3
175.03944	1.3
177.01917	0.3
180.89735	0.2
191.03539	0.2
191.05528	0.3
205.05099	0.2
229.08653	0.5
230.11784	0.4
239.07074	0.3
267.06622	2.2
268.07162	0.2
279.06638	0.3
282.09091	0.4
294.05014	0.2
297.11252	0.3
309.07559	0.3
323.05704	0.3
326.07925	0.7
327.08713	0.3
338.08093	0.3
341.06323	0.2
341.10217	0.7
353.10168	0.3
371.11139	0.2
389.21561	0.2
390.22028	0.8
391.23010	0.7
451.06976	29.9
451.15140	1.3
451.20557	0.8
452.07275	3.0
452.16583	0.3
477.08395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
58.00595	1.3
59.01374	87.8
60.01711	10.2
61.01791	0.9
61.98819	8.5
69.50569	5.1
71.01375	17.4
72.01717	3.2
72.99286	2.0
73.02950	1.2
83.01354	1.3
83.04987	1.2
85.02943	10.3
86.03280	1.8
87.00867	2.3
89.02437	17.2
90.02781	2.0
93.03446	2.9
94.03791	0.6
95.01374	1.4
96.96043	0.8
97.06555	0.6
97.23862	0.7
99.04510	10.3
100.04848	2.8
101.02445	8.6
101.03482	0.8
102.02795	1.7
111.04546	0.7
111.43057	0.7
113.02425	6.4
114.02753	1.6
119.03491	4.9
120.03821	0.8
125.02455	1.3
127.04006	1.2
133.18314	0.6
137.02492	0.7
147.80901	0.7
147.89896	0.7
151.00304	0.9
153.02086	0.8
158.68767	0.7
161.04553	1.1
165.12839	2.6
166.13135	3.8
173.04456	1.6
179.43637	0.7
187.07590	3.0
188.07849	3.4
191.05594	50.5
192.05923	25.7
193.06021	1.8
207.13869	5.2
208.14204	7.8
209.11809	17.9
210.12134	22.7
215.07124	0.9
216.58275	0.9
225.14923	3.1
226.15302	6.6
227.15465	0.7
232.10364	0.7
251.12819	3.1
252.13152	4.7
257.08142	2.3
258.08490	4.8
269.13901	44.7
270.14243	94.7
271.14426	5.1
284.03189	1.2
285.03683	3.7
286.04239	6.4
287.04312	5.7
288.04825	4.4
288.15073	0.8
449.20145	1.0
450.11127	9.6
450.20547	100.0
451.15439	1.0
451.20963	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	451.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71527	0.2
57.03426	0.3
59.01379	1.2
60.37781	0.2
61.98813	0.5
66.69550	0.2
67.01913	0.2
69.90179	0.4
69.90589	0.6
70.17850	0.2
71.01374	0.5
74.99129	0.2
79.95735	2.8
80.96519	0.8
81.03462	0.2
83.01370	0.3
85.02940	0.9
89.02440	0.8
93.03447	0.4
94.29176	0.2
95.05010	0.3
96.96003	100.0
97.02948	0.7
97.95931	0.4
98.20632	0.2
101.02438	0.3
102.98595	0.2
109.02956	1.9
111.00863	0.3
111.68208	0.2
113.02451	0.2
120.01236	0.2
121.02962	0.3
122.99178	0.2
123.04507	1.6
125.02428	1.6
133.02936	0.3
135.04457	0.2
136.99118	0.2
137.02435	1.9
139.04012	0.3
149.02415	0.5
151.00352	0.2
151.03983	0.9
161.02429	1.0
161.06029	0.3
162.03215	0.2
163.00407	0.2
164.01144	0.3
165.01895	0.7
165.05495	0.2
175.03964	0.6
179.03484	0.5
187.04045	0.3
188.04675	0.3
189.01901	0.2
191.05591	10.5
192.05977	0.3
201.07634	0.2
203.07019	1.2
205.04987	0.7
221.08133	0.3
239.05540	0.3
241.05081	0.6
245.08118	1.6
256.07434	0.5
271.09662	1.0
289.02271	0.3
289.07150	6.7
290.07465	0.5
292.98636	0.2
299.05539	0.2
353.08749	1.9
388.84955	0.2
391.03864	0.2
402.40189	0.2
451.04672	0.3
451.11905	2.8
451.17267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.5
59.01091	0.7
59.01375	12.7
60.01700	1.3
61.98810	1.9
63.25552	0.4
67.01878	0.5
69.63880	2.4
71.01385	3.8
72.01730	0.5
73.02940	0.6
83.01368	0.7
83.05044	0.4
85.02944	12.4
86.03284	2.2
87.00860	2.7
88.01167	0.6
89.02420	2.4
91.12895	0.4
93.03449	4.8
94.03799	1.3
94.44045	0.4
95.01357	0.6
99.00840	0.4
99.04502	1.3
100.04854	0.6
101.02433	1.2
107.01538	0.4
109.02936	1.0
111.04510	1.3
112.04867	0.5
113.02454	1.0
117.03470	2.2
118.03770	1.1
119.03544	0.6
120.99608	1.4
123.04521	0.5
125.02437	3.7
126.02744	1.3
127.04012	2.0
128.04330	1.2
131.07216	0.4
133.05081	0.6
133.60091	0.4
149.02470	0.9
150.02756	0.4
151.00386	0.7
153.01859	0.4
161.02344	0.6
162.02657	0.4
165.12895	0.5
167.03471	0.8
171.02962	0.7
172.05298	1.1
173.04475	1.5
173.05743	0.6
174.04860	0.8
175.33229	0.4
187.07625	5.9
188.07951	7.3
191.05597	100.0
192.05937	48.2
193.01364	1.0
193.06013	3.8
194.01720	0.9
199.03926	0.5
200.04517	0.4
201.05171	0.5
207.13821	0.5
208.14259	1.0
209.11768	2.0
210.12155	2.3
214.09505	0.6
215.07097	1.2
216.07430	1.7
226.15367	0.5
227.03552	1.1
228.04071	1.4
229.04587	1.0
230.08972	0.5
232.10689	0.8
252.13228	0.6
257.08151	5.3
258.08490	10.2
259.08658	0.5
269.13913	4.8
270.04941	1.1
270.14246	11.2
276.09421	0.6
285.03543	0.7
286.04080	1.6
287.04288	2.1
288.05258	1.7
450.09872	2.4
450.14984	1.5
450.20432	11.2
451.21207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93719	0.7
59.01377	17.3
61.98825	100.0
70.89988	0.9
70.90327	1.5
71.01379	3.8
89.02431	5.1
101.02457	3.1
103.00358	0.8
113.02435	2.0
119.03468	1.9
158.86147	0.8
163.11316	1.5
183.40056	0.7
207.10204	3.9
250.29874	0.8
387.16550	44.4
388.16946	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	450.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
60.01725	0.6
61.01794	0.6
61.10471	0.3
61.98825	100.0
66.96333	0.4
69.64822	2.7
69.91888	0.3
70.78573	0.3
83.04935	0.4
85.02985	0.4
87.00906	0.5
89.02458	0.7
89.39694	0.4
101.02423	0.7
112.68108	0.4
113.76517	0.4
115.05141	0.4
122.62585	0.4
145.02946	0.4
161.38229	0.4
173.23375	0.4
191.05548	0.5
212.05939	0.4
298.08533	0.6
401.15778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.07462	0.3
59.01374	9.7
61.98825	8.1
63.36738	0.3
66.60167	0.3
67.01882	0.9
67.33170	0.3
69.03440	0.4
71.01381	2.8
71.63311	0.4
73.02940	1.1
80.91672	0.7
81.03449	0.5
82.79675	0.4
83.01381	0.7
83.05009	0.4
85.02941	10.7
86.03278	2.2
87.00859	3.1
88.01221	0.5
89.02419	0.7
93.02919	0.5
93.03454	5.9
94.03774	1.7
96.95994	0.7
99.00877	0.5
101.02430	1.3
107.01373	0.4
108.02173	1.0
109.02929	1.6
110.03266	0.5
111.04506	1.6
113.02448	0.6
117.03436	0.4
119.05048	0.4
120.99664	0.7
121.02950	1.1
122.93492	0.4
123.04506	1.6
125.02447	0.9
127.04004	2.9
128.04375	1.2
133.02922	1.0
135.04492	1.8
136.04927	0.5
137.02435	0.5
145.00200	0.4
145.02917	1.7
146.03264	0.7
149.02399	0.5
151.00322	2.6
152.00713	1.2
161.02368	0.5
161.04594	0.6
164.03389	0.4
165.91431	0.4
171.02997	0.6
172.03270	0.4
172.05302	1.1
173.04422	2.4
173.05701	1.1
174.04874	1.2
177.01906	0.6
183.04391	0.5
187.04105	0.5
187.05939	0.4
187.06210	0.2
187.07608	7.8
187.09181	0.7
188.07956	8.1
189.01941	0.9
191.05586	100.0
192.05931	51.3
193.06044	3.8
199.03993	0.6
200.04338	0.9
204.04297	0.5
205.04915	0.5
213.09293	0.6
214.09502	0.6
215.07066	1.5
216.07368	1.9
219.02794	0.5
227.03419	1.1
228.03964	2.5
229.04555	1.2
229.08612	1.3
231.10341	0.5
232.10483	0.7
257.08170	7.2
258.08487	14.5
258.11273	0.7
259.08826	0.5
265.07129	0.5
275.09167	0.6
276.09662	1.0
285.04044	1.1
286.04324	2.6
287.04520	2.5
288.05295	4.3
341.06631	2.5
387.23297	0.4
391.23352	2.9
450.15158	8.5
451.10172	0.6
451.15933	0.7
451.21387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21203	0.5
54.69586	0.6
57.03448	5.1
59.01375	16.4
59.01673	0.9
61.98824	98.3
70.75865	0.5
71.01373	3.1
71.62935	0.8
74.78395	0.5
81.03453	1.1
83.01365	4.5
85.02950	1.6
89.02428	4.0
93.03426	0.7
96.96010	2.5
97.02945	1.0
101.02448	2.3
109.02954	0.8
112.73265	0.5
113.02451	2.0
119.03490	1.5
119.04975	0.7
121.02927	0.6
125.02430	100.0
125.40952	0.6
126.02771	2.0
137.02426	0.9
137.06123	1.3
139.04010	1.9
144.93419	0.5
149.02415	14.2
151.00362	1.6
151.04012	0.6
161.04514	1.2
163.03998	0.7
163.11267	6.9
167.03470	0.6
173.42387	0.5
179.03450	0.8
181.05002	1.0
225.04042	7.1
260.06403	2.1
287.07764	13.0
288.05719	0.7
341.05066	1.5
360.08490	0.6
387.09177	8.7
387.16464	33.5
388.16992	2.5
450.20721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.07462	0.3
59.01374	9.7
61.98825	8.1
63.36738	0.3
66.60167	0.3
67.01882	0.9
67.33170	0.3
69.03440	0.4
71.01381	2.8
71.63311	0.4
73.02940	1.1
80.91672	0.7
81.03449	0.5
82.79675	0.4
83.01381	0.7
83.05009	0.4
85.02941	10.7
86.03278	2.2
87.00859	3.1
88.01221	0.5
89.02419	0.7
93.02919	0.5
93.03454	5.9
94.03774	1.7
96.95994	0.7
99.00877	0.5
101.02430	1.3
107.01373	0.4
108.02173	1.0
109.02929	1.6
110.03266	0.5
111.04506	1.6
113.02448	0.6
117.03436	0.4
119.05048	0.4
120.99664	0.7
121.02950	1.1
122.93492	0.4
123.04506	1.6
125.02447	0.9
127.04004	2.9
128.04375	1.2
133.02922	1.0
135.04492	1.8
136.04927	0.5
137.02435	0.5
145.00200	0.4
145.02917	1.7
146.03264	0.7
149.02399	0.5
151.00322	2.6
152.00713	1.2
161.02368	0.5
161.04594	0.6
164.03389	0.4
165.91431	0.4
171.02997	0.6
172.03270	0.4
172.05302	1.1
173.04422	2.4
173.05701	1.1
174.04874	1.2
177.01906	0.6
183.04391	0.5
187.04105	0.5
187.05939	0.4
187.06210	0.2
187.07608	7.8
187.09181	0.7
188.07956	8.1
189.01941	0.9
191.05586	100.0
192.05931	51.3
193.06044	3.8
199.03993	0.6
200.04338	0.9
204.04297	0.5
205.04915	0.5
213.09293	0.6
214.09502	0.6
215.07066	1.5
216.07368	1.9
219.02794	0.5
227.03419	1.1
228.03964	2.5
229.04555	1.2
229.08612	1.3
231.10341	0.5
232.10483	0.7
257.08170	7.2
258.08487	14.5
258.11273	0.7
259.08826	0.5
265.07129	0.5
275.09167	0.6
276.09662	1.0
285.04044	1.1
286.04324	2.6
287.04520	2.5
288.05295	4.3
341.06631	2.5
387.23297	0.4
391.23352	2.9
450.15158	8.5
451.10172	0.6
451.15933	0.7
451.21387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2538
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
57.03442	1.4
59.01371	2.0
60.77950	0.7
63.02392	0.7
65.00323	2.2
67.01882	6.8
68.99513	0.8
68.99823	10.9
78.80573	0.6
78.95905	1.5
79.96690	0.8
81.03452	2.0
83.01375	5.2
84.40179	0.7
85.02964	1.4
96.96030	1.1
109.02940	6.2
110.98530	1.1
111.00876	6.4
123.04478	1.0
125.02434	9.0
151.00363	4.7
153.01929	30.2
167.01173	0.9
171.10268	1.0
172.36467	0.7
178.99789	0.8
251.23776	9.6
281.24832	24.0
282.25116	2.0
287.04727	0.8
293.24829	19.9
294.25345	1.4
295.22623	1.1
311.25781	2.4
317.24860	0.7
333.28067	0.9
335.25848	8.6
336.26099	1.2
342.39069	0.8
379.24857	2.2
405.26550	1.2
405.33789	0.9
449.25430	100.0
449.32135	4.7
450.25751	12.1
463.16666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.5
58.03781	0.2
59.01370	0.4
61.98820	0.1
66.66618	0.1
75.25197	0.1
80.90257	0.1
81.03456	0.1
83.01385	0.6
86.36518	0.1
88.68598	0.1
89.02438	0.1
93.03500	0.1
94.15211	0.1
107.01418	0.1
121.02958	0.2
123.04501	0.3
123.96250	0.1
125.02431	100.0
126.02765	2.6
150.19582	0.1
151.00365	0.1
162.65274	0.1
167.03548	0.1
194.48807	0.1
230.18414	0.1
237.22227	0.2
251.16403	0.1
279.23193	0.3
286.03922	0.1
315.19427	0.1
374.26611	0.1
413.22971	0.1
431.24088	0.2
449.09622	0.1
449.25317	2.0
449.31464	0.1
450.25867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03456	1.1
58.00580	1.7
59.01375	100.0
60.01702	1.2
60.99296	1.7
61.98825	3.2
67.01891	6.7
69.03459	1.9
70.99820	1.3
71.00166	0.9
71.01376	28.4
72.99306	2.1
73.02942	3.2
75.00863	0.7
81.03462	1.3
83.01388	1.5
83.05022	1.5
84.82869	0.7
85.02943	9.1
85.68439	0.6
87.00867	9.3
89.02437	35.9
93.03452	37.7
94.03771	1.2
95.01366	3.0
96.96043	0.6
99.00896	1.8
99.04501	0.8
101.02431	15.9
105.03431	0.8
109.02972	1.7
111.04519	5.5
111.08157	0.8
113.02451	13.1
117.03465	2.6
118.16357	0.6
119.03494	18.1
123.04540	2.7
125.02459	3.0
127.07668	0.7
129.01979	1.1
131.03493	1.7
133.02988	2.2
134.03708	3.2
135.04520	2.7
137.02458	1.0
143.03502	4.9
145.02908	3.7
149.04581	1.5
151.00392	1.9
153.05623	1.9
153.09184	6.5
155.03517	1.8
159.02905	0.8
160.01663	1.6
161.02460	1.0
161.04549	8.4
162.03212	1.1
167.03523	0.9
173.04533	25.0
174.04840	0.7
177.01936	0.7
179.05579	14.3
187.07681	1.7
191.05597	45.3
192.05975	1.3
193.01326	0.8
193.46640	0.7
209.15387	3.7
227.12779	0.7
227.16664	1.0
231.10300	2.8
255.03073	1.1
257.08279	3.0
269.04498	1.1
275.09219	4.5
284.03391	0.9
285.04050	2.8
286.04248	2.8
287.04724	4.0
287.22318	0.7
291.75760	0.7
323.42096	0.8
323.64746	0.7
352.07736	0.8
389.21777	40.9
390.22342	3.3
407.07925	2.3
411.16345	0.9
449.09631	3.3
449.14764	18.4
449.20270	1.5
449.27667	5.7
450.15155	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1495
Annotation	Suvorexant
Peak:m/z	Relative Intensity
56.63189	0.4
57.03448	0.5
58.15208	0.4
59.01376	4.0
61.98827	1.8
62.25328	0.4
62.96403	21.1
66.85125	0.5
71.17374	0.8
74.93586	0.4
78.95898	52.6
80.97462	27.7
82.88598	0.4
93.03474	1.5
93.67237	0.4
94.86022	0.4
96.96009	0.9
110.39002	0.4
121.02941	3.9
123.04506	3.2
124.73426	0.4
125.02443	4.7
145.02921	0.7
149.00079	13.5
150.00423	0.5
151.00452	0.6
151.01614	0.5
173.04488	0.8
179.01146	1.8
191.05614	0.8
205.15926	6.3
206.16296	0.7
221.15419	0.4
242.98286	4.5
253.85225	0.4
284.03436	0.6
285.03827	1.3
285.12595	1.8
286.04169	1.6
287.04559	1.7
293.19836	0.6
310.03040	0.6
323.95557	0.5
355.16754	15.8
356.16864	1.1
385.12781	0.9
385.17825	19.3
386.18005	2.1
449.14896	100.0
450.15225	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	449.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
58.00581	1.1
59.01373	79.0
63.43259	1.4
69.57956	4.2
69.58388	4.3
71.01379	13.6
72.99277	2.0
73.41795	1.1
85.02938	6.7
87.00859	1.8
89.02434	15.8
93.03454	2.7
95.01409	1.4
99.04501	8.8
99.26337	1.0
101.02427	6.5
111.04556	1.1
113.02411	5.7
119.03485	3.7
125.02412	1.5
127.04014	1.3
141.52081	1.2
153.07823	1.2
164.80191	1.2
165.12820	6.2
187.07578	4.3
191.05579	46.8
207.13896	10.7
209.11801	33.8
210.12025	1.4
225.14920	8.9
251.12830	7.4
257.08057	5.7
269.13904	100.0
270.14215	7.6
285.03867	3.1
286.03918	3.7
287.04477	6.1
287.15134	1.3
449.09851	4.9
449.20178	68.3
450.20544	9.1
473.90649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
57.26874	0.6
59.01374	14.2
61.98824	16.7
65.00317	0.6
67.01875	1.1
69.67473	2.3
69.94928	0.4
71.01366	4.9
72.99303	0.7
73.02940	0.7
74.99096	0.4
83.01370	1.1
83.05054	0.6
85.02953	2.9
87.00870	1.5
89.02434	3.4
93.03448	6.6
95.01399	0.5
96.96005	1.2
101.02428	2.5
101.06016	0.5
107.01382	1.1
111.04477	1.2
113.02450	1.8
117.03433	0.7
119.03470	1.2
120.99643	100.0
121.02959	1.4
121.99966	1.3
124.01640	0.7
125.02412	6.2
127.07587	0.4
133.02948	0.9
135.04510	4.4
137.02463	0.8
138.03279	0.4
143.03458	0.4
145.02954	4.1
149.02429	0.5
151.00357	4.6
152.01096	0.6
159.03024	0.5
159.04527	0.6
161.02490	2.0
161.04576	0.9
163.03987	0.7
164.29926	0.5
173.04526	1.7
173.06026	0.8
179.03517	0.5
187.07617	2.2
191.05594	31.9
192.05984	0.7
193.01485	0.6
195.06619	0.5
201.05559	0.5
213.09166	0.9
215.07018	0.5
243.06602	0.5
257.08197	3.3
259.06027	3.2
275.09222	0.9
287.05643	4.5
304.57858	0.5
318.18262	0.4
329.05954	1.6
363.16675	0.9
368.60675	0.5
370.64624	0.5
389.21844	3.0
395.06094	0.4
401.12524	0.6
405.17532	1.0
413.14197	2.3
431.13199	0.6
449.10226	7.0
449.16220	0.5
449.24197	0.6
450.10593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1492
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01370	6.3
61.98819	1.9
62.96403	21.6
67.01874	0.5
72.86814	0.4
76.86646	0.4
78.95894	57.7
80.97459	31.4
87.00844	0.6
93.03455	1.6
96.95994	1.4
121.02950	4.9
123.04511	3.9
133.02951	3.3
135.04491	3.9
145.02896	0.7
149.00066	14.6
150.00404	0.7
151.27699	0.6
161.02425	8.7
173.04491	0.8
179.01106	1.6
179.03484	1.3
191.05566	1.3
205.15921	8.0
206.16406	0.8
234.80627	0.4
242.98273	5.0
285.03821	1.1
285.12689	2.2
286.04071	1.7
287.04486	2.2
287.18741	1.2
355.16739	18.2
356.16922	1.3
385.17804	23.8
386.18188	1.7
389.26572	0.6
449.14951	100.0
450.15311	8.3
450.21463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
59.01378	15.1
66.21262	0.7
67.01860	0.8
68.45689	0.6
69.42371	6.4
71.01373	16.5
72.99299	1.1
85.02961	1.5
85.69191	0.7
89.02438	2.6
93.03448	2.3
95.34309	0.7
98.80564	0.8
99.00851	1.9
101.02427	3.2
103.05524	3.0
113.02431	1.3
115.05511	3.1
119.05011	2.1
131.05019	11.7
133.06604	5.8
135.04486	1.1
139.50555	0.7
140.72920	0.7
143.04990	0.9
145.06612	4.5
147.04514	81.3
148.04843	2.2
161.06067	100.0
162.06436	3.6
173.04576	1.7
173.05928	1.4
189.05545	28.6
190.05986	2.0
191.05550	5.6
191.07167	1.6
219.06557	1.1
249.07605	1.4
275.99536	0.8
449.14487	50.8
450.14801	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	449.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00885	0.3
52.56958	0.3
57.03433	0.5
59.01376	3.2
61.84700	0.3
61.98820	1.2
62.58741	0.3
67.01887	0.7
69.80865	0.5
69.81273	1.4
71.01372	1.2
73.02943	0.5
83.01387	0.4
83.05036	0.7
85.02940	8.4
87.00858	1.9
89.02431	0.5
93.03446	3.9
99.04514	0.4
109.02940	0.8
111.04500	1.3
117.03448	1.7
121.02886	0.4
125.02435	2.8
127.04003	2.1
137.02379	0.3
137.83900	0.3
143.08374	0.3
149.02457	0.8
151.00310	0.4
161.02364	0.5
167.03514	0.4
171.02927	0.4
172.05266	1.2
173.04514	2.3
187.07616	7.3
188.08014	0.4
191.05582	100.0
192.05966	2.8
193.01393	1.2
199.03960	1.0
200.04742	0.3
209.11786	0.7
213.09178	1.0
215.07068	1.6
218.40410	0.3
225.14818	0.3
227.03452	0.9
228.04315	0.9
229.08618	0.8
231.10251	1.0
257.08145	11.0
258.08472	0.6
269.04547	0.8
269.13913	2.0
275.09082	0.6
284.03116	0.6
285.03879	1.4
286.04044	2.8
287.04544	3.1
413.14526	0.4
449.09576	3.9
449.14764	0.8
449.20236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14784	0.9
50.69839	0.9
51.25175	0.8
59.01375	13.5
60.02480	0.8
60.99301	2.2
61.98824	1.6
67.01893	5.6
69.03455	1.7
70.90587	1.3
70.90914	1.3
71.01375	21.2
71.64915	0.8
72.99272	1.0
73.02927	1.1
81.88988	0.8
83.01401	1.3
83.05020	1.2
85.02940	2.1
87.00886	4.8
89.02454	4.7
93.03450	34.1
99.00869	1.3
101.02424	3.4
103.05513	4.1
109.02958	2.4
111.04524	5.6
113.02416	2.8
115.05499	4.6
119.05014	1.0
121.96989	0.9
131.05028	11.4
133.02946	1.8
133.06590	6.6
134.03731	2.9
135.04506	4.1
145.06577	2.7
147.04506	100.0
148.04843	3.7
157.05016	1.2
159.04489	1.4
161.06062	76.2
162.06343	4.8
173.04552	21.8
173.06000	1.1
179.03412	1.1
189.05548	21.2
190.05940	1.3
191.05589	9.5
195.14766	0.8
201.05510	1.5
209.81886	0.9
210.91582	0.7
219.06625	1.1
231.10210	1.9
243.06670	1.3
249.07593	1.3
257.08234	1.4
275.09189	2.6
309.09659	0.9
449.14493	92.9
450.14844	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	449.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.7
61.95509	1.2
61.98822	8.7
63.02386	1.7
63.52678	1.1
65.00317	12.3
70.72133	1.0
71.01363	1.1
71.62524	1.5
72.96449	1.1
77.59347	1.0
77.72935	1.0
78.95897	2.0
83.01385	6.5
83.14682	1.1
93.03467	2.5
93.48167	1.0
95.77868	1.2
96.95993	1.8
107.01379	17.0
108.02172	7.1
118.00924	1.1
121.02934	8.0
123.04519	9.7
125.02422	7.7
130.04210	1.1
131.42271	1.0
133.02946	2.5
134.03711	7.0
135.03474	2.2
135.04512	44.7
136.01660	6.0
143.04973	1.5
145.02866	1.6
147.04501	2.3
148.05284	6.1
151.00345	59.6
152.00746	1.9
158.03786	1.3
159.04514	2.1
160.01614	2.1
161.02428	4.6
161.06107	1.1
163.07646	8.1
164.01149	11.1
165.01813	1.8
169.01445	1.8
171.04437	1.8
173.04593	2.3
174.03162	4.7
175.03925	4.1
177.01897	1.8
185.02406	1.3
185.06041	2.1
187.04008	1.7
189.05470	1.3
191.05589	2.8
196.00153	11.3
196.54552	1.1
197.06018	1.8
198.03207	2.5
199.03983	16.4
200.04637	2.0
201.01860	5.5
201.05496	1.4
213.05606	1.9
215.03487	4.7
217.05052	2.7
220.82692	1.4
240.04102	2.0
241.05028	7.4
242.05835	3.8
243.06581	2.8
255.32913	1.1
257.04504	4.8
258.05176	2.2
269.04364	1.2
285.03967	42.2
286.04547	12.0
287.05188	6.1
299.05539	3.1
357.50070	1.1
449.12399	100.0
450.12543	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	449.1239
Annotation	Methylinoscavin B
Peak:m/z	Relative Intensity
57.03455	0.9
59.01368	10.0
59.92624	0.8
61.98828	5.5
63.02390	1.5
65.00323	10.9
71.01361	1.3
71.19020	2.1
78.95898	12.3
83.01382	6.6
90.81285	1.0
93.03466	3.5
96.79124	1.0
96.96021	1.9
107.01384	18.6
108.02174	7.4
109.02954	1.7
111.00852	1.1
116.92860	3.7
116.97278	1.9
117.01892	1.0
121.02949	9.2
123.00901	1.1
123.04511	8.3
123.65651	0.9
125.02451	9.6
133.02953	3.3
134.03749	7.8
135.04520	48.0
136.01646	8.4
136.04837	1.0
143.04985	1.4
145.02989	1.2
147.04523	2.6
148.05258	7.1
151.00359	59.9
152.00629	2.4
152.99564	15.7
155.05052	2.9
158.03712	2.4
159.04497	1.7
160.01660	3.4
161.02470	6.6
161.06085	1.4
163.07654	9.2
164.01141	13.3
165.01901	2.6
171.04533	3.2
173.02409	1.4
173.04546	1.3
174.03227	7.9
175.03960	4.8
177.02014	2.2
185.02390	1.1
185.06047	2.2
187.04005	1.1
188.04761	1.7
189.05562	1.5
196.00093	14.6
197.00365	1.0
198.03242	2.1
199.03969	17.8
200.04567	1.3
201.01910	5.6
201.05402	1.0
213.05524	2.2
215.03497	4.9
217.05051	3.5
229.05031	2.0
240.04236	1.8
241.05037	8.7
242.05798	4.6
243.06635	2.8
255.06677	1.5
257.04480	7.3
258.05078	1.8
282.64572	1.1
284.03308	1.3
285.04004	42.6
286.04599	13.5
287.05115	5.7
299.05688	3.3
301.07312	1.1
306.22253	1.0
389.26627	1.2
391.52689	1.3
398.22818	1.1
449.12421	100.0
449.23502	4.0
450.12634	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	449.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31583	0.3
54.22362	0.3
59.01368	1.4
61.98829	0.3
63.02388	1.2
63.70263	0.3
65.00316	9.4
69.58928	1.5
69.59344	0.8
71.01363	0.9
75.80093	0.3
76.96965	0.4
81.03433	0.4
83.01376	4.9
85.02941	1.1
93.03438	1.5
93.81948	0.3
101.02439	0.4
107.01376	16.8
109.02939	1.8
113.02405	0.4
120.99644	0.4
125.02418	4.2
133.02946	0.4
134.03731	1.3
135.04507	68.7
136.01630	0.5
136.04837	1.8
137.02344	0.3
142.32678	0.3
145.02988	0.4
151.00351	100.0
152.00679	3.0
159.04526	0.5
161.02403	1.3
164.01122	0.7
165.01949	0.9
169.01437	0.5
173.04504	0.7
174.03151	0.5
177.01875	0.5
177.95311	0.4
183.04507	0.4
187.07585	1.2
191.05586	12.7
196.00061	0.4
199.03969	0.4
257.08224	1.6
269.04556	0.4
285.03900	0.6
287.05579	73.1
288.05917	6.4
297.09604	1.1
428.44711	0.4
449.10693	27.9
450.11044	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	449.1085
Annotation	3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03447	3.9
58.99583	1.7
59.01369	6.6
61.98827	5.9
63.02394	1.3
65.00306	2.6
69.88052	1.1
69.88442	1.5
71.01382	3.3
72.99289	0.9
73.02921	1.1
80.25208	0.5
81.03451	3.4
83.00922	0.8
83.01369	4.9
84.21561	0.6
85.02943	1.5
87.00871	1.5
89.02431	1.6
93.03459	4.8
95.01408	0.6
96.96011	1.4
96.96950	0.5
97.02951	1.0
101.02444	1.6
102.98589	5.6
107.01377	4.0
109.02936	1.7
111.00888	0.8
111.04533	0.6
113.02436	0.9
120.47473	0.5
120.99647	7.7
121.02957	3.2
123.00854	0.8
123.04510	1.8
124.01668	1.4
125.02437	38.9
125.56130	0.5
126.02840	0.5
131.05054	0.8
133.02966	1.8
137.02419	3.1
139.00342	0.5
139.04004	2.0
145.02930	0.5
145.06587	0.5
149.02397	2.3
151.00356	15.0
151.59131	0.6
152.01125	4.3
153.01926	7.2
156.73761	0.6
157.06583	0.8
158.03702	1.3
159.04457	0.9
161.04495	0.9
163.03972	0.7
165.01904	3.7
167.03459	1.9
169.01431	1.0
169.06543	0.7
171.04459	0.6
172.05278	3.5
173.06062	9.7
175.00348	1.8
175.03961	1.7
176.01108	0.6
177.05534	2.8
178.99844	18.4
180.00250	0.7
181.01451	2.6
187.07639	1.5
191.05650	1.4
193.06174	0.7
195.02988	0.9
199.03923	0.8
199.07565	1.4
200.04713	0.9
201.05492	2.9
213.05606	0.5
215.07091	14.1
216.07378	0.7
219.06555	0.8
241.05031	1.8
243.06558	5.4
244.31589	0.5
255.06717	0.7
259.06076	100.0
260.06400	6.5
269.04568	1.4
269.14105	0.6
271.05981	1.2
273.07666	1.6
283.06177	18.7
284.06448	1.4
287.05582	53.0
288.05835	3.5
301.07126	6.3
311.05530	1.3
313.07126	2.1
327.07245	0.7
329.06824	1.3
341.05142	1.1
343.06848	1.0
361.09360	1.0
421.11356	19.5
422.11765	1.1
449.10806	7.9
449.15866	0.8
449.20685	1.0
450.10938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
57.16700	0.2
59.01373	20.3
60.01709	2.6
61.01796	0.4
61.98823	100.0
69.71145	1.2
71.01389	1.4
83.01373	0.5
85.02960	0.5
89.02435	1.8
101.02461	0.9
107.01379	0.4
113.02448	0.5
119.03495	0.7
121.02974	0.5
125.02438	6.7
126.70155	0.2
145.02979	0.4
149.02397	0.7
151.00323	1.7
153.01895	0.6
161.04564	0.7
162.04929	0.4
165.01967	0.8
178.99881	0.9
179.03481	0.5
179.05598	0.5
190.13275	0.3
197.06104	0.4
201.05563	0.4
225.05510	0.7
241.05159	0.3
243.06509	0.4
259.03406	0.5
259.06052	6.7
259.08621	0.4
269.04517	5.6
269.07172	0.5
287.05554	4.7
347.52243	0.3
373.20621	0.3
387.19537	0.4
388.20493	1.0
449.10846	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	449.1085
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03439	10.6
59.01376	34.7
60.01699	3.4
61.01792	2.8
61.98825	98.4
62.98526	2.0
63.02394	0.8
63.99247	1.2
65.00316	3.4
69.73785	2.2
69.74191	4.5
71.01374	5.0
73.02946	0.9
81.03442	2.6
83.01364	8.5
85.02924	1.2
89.02428	3.8
93.03436	4.1
95.01408	1.3
97.02953	1.8
97.72182	1.0
101.02454	3.0
107.01374	4.8
109.02924	2.3
113.02416	1.6
117.03427	3.2
119.03524	1.3
121.02938	5.6
123.04459	1.5
123.89314	0.9
124.01639	2.3
125.02435	100.0
126.02776	2.7
131.05101	1.1
133.02954	2.5
135.04507	1.0
137.02399	3.4
139.03967	2.0
145.02956	5.0
149.02391	9.2
151.00365	28.5
152.01111	6.3
153.01929	9.5
159.04518	1.7
161.04501	1.8
163.00331	1.9
165.01906	15.8
166.02269	1.0
166.06705	0.9
167.03487	1.1
169.06502	1.7
172.05276	2.1
173.06035	3.7
175.00398	1.2
175.04019	1.1
176.01143	1.4
177.01845	1.1
177.05511	2.0
178.99828	15.8
179.03448	6.9
179.04829	1.0
179.05295	0.8
191.05576	2.8
197.06047	2.7
199.03923	1.6
199.07909	1.0
201.05536	3.4
213.05472	1.4
215.07056	4.7
225.05521	5.4
241.05017	2.1
243.06528	6.0
247.36995	1.2
259.06079	93.7
260.06540	4.5
269.04520	85.8
270.04962	6.1
283.05887	1.7
287.05588	57.9
288.05847	4.0
311.05612	2.3
313.74606	1.0
342.05911	3.3
389.21710	2.2
413.14355	3.3
421.11539	2.0
431.09747	3.9
449.10831	78.2
450.11121	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98838	0.9
63.02405	1.4
65.00316	9.5
67.01917	0.4
69.03458	0.4
69.58582	1.2
69.59001	1.1
71.01381	1.0
81.03465	0.4
82.00121	0.3
83.01377	4.5
85.02946	4.7
87.00873	1.6
89.02416	0.7
93.03452	3.8
93.03900	0.3
98.20647	0.7
99.00848	0.3
101.02460	0.7
107.01377	17.9
108.02233	0.6
108.99267	0.4
109.02932	3.1
111.04504	0.7
113.02431	0.4
117.10062	0.3
120.99615	0.9
125.02448	4.4
127.04017	1.0
134.03773	1.2
135.04509	70.3
136.01657	0.3
136.04839	2.3
137.02415	0.5
146.03287	0.4
148.20496	0.3
151.00352	100.0
152.00697	3.5
153.01933	0.8
159.04407	0.4
161.02419	1.5
164.01123	1.0
165.01915	0.8
169.01418	0.8
172.05312	0.6
173.04562	1.7
177.01878	0.9
183.04387	0.3
187.07635	6.3
191.05585	45.5
192.05978	1.2
199.04028	0.6
213.09167	0.6
215.07021	0.7
227.03433	0.7
228.04024	0.4
231.10231	0.4
257.08163	6.2
269.04633	0.6
275.09222	0.8
285.03964	0.4
286.04224	0.8
287.05566	68.9
288.05945	4.6
297.09689	1.3
449.10510	23.4
450.10873	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.9
58.03761	0.1
59.01381	0.7
61.98809	0.2
63.02384	0.3
65.00314	0.6
68.99815	0.2
70.52750	0.3
78.95893	0.5
81.03454	1.9
83.01379	8.3
93.03474	0.1
96.96061	0.2
105.03432	0.2
107.01399	0.6
110.98528	0.6
121.02929	0.6
123.04500	1.3
125.02434	100.0
126.02761	2.4
149.02437	1.3
151.00348	0.9
167.01173	0.5
167.03477	1.8
185.02209	0.2
251.23839	0.4
277.25256	0.6
279.23260	5.4
280.23724	0.4
284.03204	1.7
285.04010	2.5
293.24838	0.2
321.24310	1.9
322.24594	0.2
438.84592	0.1
447.09393	2.1
447.27545	10.8
448.10083	0.2
448.27878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09708	0.7
59.01373	10.0
61.32215	0.9
61.98813	4.7
63.02383	1.1
65.00314	1.2
70.83142	1.3
70.83466	1.3
78.95896	8.5
89.02407	0.9
96.96009	1.9
107.01375	2.4
117.03455	20.3
119.05012	45.0
120.05331	1.9
121.02943	1.4
125.02447	1.2
133.02927	7.6
133.03882	1.0
134.03722	1.9
135.04546	3.8
145.02940	90.5
146.03329	4.2
149.02449	1.4
151.00403	4.0
152.99565	12.2
161.02432	16.1
163.04001	35.3
164.04318	1.1
175.03996	1.9
179.03473	1.8
199.04016	2.6
211.03999	1.3
211.13405	1.0
217.05023	1.0
221.19054	8.2
222.19331	1.0
227.03403	1.9
239.20129	1.0
243.02928	1.1
255.02925	2.2
256.03726	5.5
265.18002	4.8
271.02518	1.5
283.02554	1.3
283.19165	6.9
284.00723	0.7
284.03207	56.8
285.04001	100.0
285.20679	1.8
286.04315	6.3
300.02728	3.2
301.03613	1.1
301.20145	20.1
302.20682	1.1
327.05084	1.5
351.28854	0.7
398.08182	0.8
447.09314	73.0
447.23810	70.9
447.30411	1.8
448.09509	8.5
448.24338	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.51671	0.6
57.03432	1.2
57.75452	0.6
58.00595	1.5
59.01375	100.0
60.01720	1.1
61.98822	2.2
69.35387	0.7
69.35704	5.8
71.01376	25.3
72.99313	0.8
73.02934	4.0
83.01390	1.4
85.02941	6.4
87.00886	1.6
89.02438	32.0
95.01392	2.2
98.20728	0.7
99.00885	1.0
101.02434	18.6
101.03082	1.2
102.02769	0.7
112.42639	0.6
113.02437	12.2
119.03490	14.2
131.03494	1.3
143.03447	3.3
149.04581	1.3
161.04556	9.7
163.11365	1.1
179.05600	10.1
225.14972	6.0
267.12546	1.8
273.27460	0.7
284.03439	0.9
285.04053	5.0
327.05200	1.3
387.20209	45.2
388.20557	4.6
447.09509	2.2
447.18784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.8
57.03445	4.6
58.00589	2.9
59.01373	75.6
60.01705	0.6
61.98814	1.0
66.36417	0.3
67.01900	0.4
68.99792	0.5
69.03439	2.9
71.01375	100.0
72.01720	1.0
72.99305	4.6
73.02940	23.9
74.03281	0.3
75.00858	1.8
81.03450	1.3
83.01378	12.4
84.02160	0.7
85.02942	32.8
86.00098	0.6
86.03300	0.7
87.00867	6.3
87.04505	0.4
89.02435	54.0
90.02786	0.6
93.03472	0.5
95.01377	4.4
97.02938	4.9
99.00869	11.6
99.04507	0.4
101.02433	62.0
102.02785	0.6
103.04044	0.3
107.01376	0.6
108.02180	0.5
109.02946	6.8
111.00867	5.5
111.04478	0.4
112.57712	0.3
113.02437	28.5
114.02790	0.6
115.04015	1.8
119.03492	4.1
121.02918	0.8
125.02435	7.5
127.04055	0.5
129.01945	1.3
131.03493	33.6
132.02199	0.6
132.03839	0.6
133.02934	1.6
134.03746	0.6
137.02402	0.9
139.03981	0.5
141.01852	0.4
143.03485	4.8
149.04536	17.3
150.04839	0.5
151.00360	1.1
159.02950	4.5
160.01649	2.2
161.02370	1.6
161.04536	38.0
162.04880	0.8
167.03520	0.4
173.04482	0.5
175.03960	3.0
179.05469	0.6
183.13971	0.4
187.03990	0.3
187.06065	0.5
191.05594	6.1
193.04996	0.6
199.04037	0.5
203.05566	0.4
205.03511	0.9
211.13362	3.4
215.05586	1.4
233.06639	5.3
237.14809	0.4
238.43120	0.3
249.15204	0.4
253.09149	0.5
255.02899	0.3
256.03705	0.9
265.65744	0.4
283.19180	0.4
284.03207	12.5
285.04010	24.4
286.04550	1.5
293.08728	3.0
295.02344	0.9
297.16980	0.6
301.20096	0.5
315.18073	34.2
316.18298	2.2
337.09268	3.1
375.23737	0.9
387.19916	0.5
447.09210	14.8
447.22266	73.4
448.09433	0.9
448.22647	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	447.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
58.00585	0.6
59.01374	100.0
60.01716	1.1
61.58698	0.3
61.98834	0.5
69.42369	2.3
71.01376	8.9
72.99300	0.6
73.02943	0.7
80.24959	0.3
85.02948	1.8
87.00872	0.9
88.98811	0.9
89.02435	12.4
95.01397	0.5
96.96024	0.5
98.19782	0.6
98.95552	0.3
101.02443	5.4
102.98598	0.3
104.06366	0.3
113.02446	3.9
117.89122	0.3
119.03481	4.5
119.04139	0.3
119.04963	0.6
125.02467	0.5
131.03552	0.4
131.07185	0.4
139.02225	0.7
143.03500	1.2
149.04601	0.6
161.04568	2.6
163.04056	0.5
167.03468	0.4
177.01945	0.6
179.05582	5.0
187.67105	0.3
191.05585	0.5
205.05052	3.9
225.11395	1.0
249.04027	7.2
249.06509	0.4
263.46921	0.3
267.12802	0.3
284.03360	0.9
285.04099	1.9
313.33725	0.3
387.07568	0.3
387.20340	0.7
411.09393	1.1
447.09332	3.3
447.22546	1.3
467.99533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
58.00583	0.8
59.01374	100.0
60.01710	0.7
71.01379	7.5
71.28743	1.3
83.21708	0.5
84.19579	0.5
85.02939	1.4
87.00867	0.6
88.62294	0.5
89.02441	14.9
95.01366	0.7
101.02424	4.4
113.02440	4.6
116.08711	0.5
119.03493	5.7
131.03552	0.6
143.03516	1.9
149.04584	0.7
161.04568	2.4
179.05605	13.3
191.05557	0.5
285.04178	0.6
296.06866	0.5
447.09976	1.7
447.22867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01373	72.7
60.01711	0.6
61.98822	1.7
63.02415	0.7
65.00332	0.7
69.03459	0.4
71.01375	7.9
71.63296	0.4
72.99312	0.6
73.02950	1.6
74.99110	0.6
83.01393	1.2
85.02939	2.1
87.00890	1.2
88.77879	0.3
88.98324	0.4
88.98791	2.1
89.02435	8.7
93.03419	0.7
95.01376	0.7
96.95985	0.4
97.71721	0.3
99.00854	0.7
99.08150	2.2
101.02433	4.7
101.47092	0.4
106.06620	0.7
107.01376	2.7
109.02962	1.8
113.02444	3.1
117.03468	1.0
118.03842	0.5
119.03502	3.4
119.05016	0.6
120.99661	1.0
121.02929	1.0
123.97971	0.4
125.02427	0.7
131.03458	0.4
133.02931	6.8
134.03796	0.6
135.04572	0.5
135.95132	0.4
136.99153	0.7
137.02423	1.1
141.09227	0.7
141.41818	0.4
143.03490	1.0
145.02925	5.7
145.08684	7.1
146.03322	0.8
147.03503	0.7
147.04558	0.6
147.11797	0.6
149.02429	1.7
149.04486	0.4
150.05588	0.8
151.00352	4.8
159.03072	0.4
161.02463	1.9
161.04504	4.5
163.03996	0.9
165.12827	3.1
175.04002	1.8
177.01923	0.5
179.05594	1.9
183.04501	0.5
187.09734	1.0
189.12839	0.8
191.05693	0.7
198.03099	0.4
199.03934	1.9
201.01888	0.7
207.13922	4.0
209.08209	0.5
211.04021	0.6
211.13396	1.0
213.05626	0.6
217.05032	0.9
225.05530	3.2
225.11295	0.6
225.14861	0.9
227.03482	1.1
241.05043	0.7
243.03009	0.7
255.02911	0.6
256.03754	3.0
257.04291	0.6
267.02899	0.5
283.02554	0.7
284.03232	36.4
285.04001	100.0
286.04379	6.0
327.05035	0.7
378.39343	0.5
387.20044	5.8
387.23904	0.4
409.14987	1.7
411.16275	1.2
427.14169	0.4
447.09225	52.2
447.19086	4.8
448.09485	4.5
448.18915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36052	0.3
56.31248	0.3
57.03446	1.8
59.01374	100.0
59.10940	0.3
60.01715	1.1
61.98836	0.8
68.60177	0.3
71.01379	6.2
73.02950	1.3
83.01395	0.7
85.02950	1.8
87.00891	0.6
89.02438	4.5
95.01415	0.4
96.14108	0.3
96.96031	0.5
99.00896	0.6
101.02435	3.8
105.06955	0.3
113.02428	3.0
113.02979	0.3
117.00204	0.4
119.03535	1.3
121.02956	2.1
123.08203	1.2
125.02454	0.4
135.04535	0.5
137.00713	0.8
137.09763	0.5
139.02261	1.0
143.03470	0.8
159.02971	0.4
161.04552	5.6
163.11316	1.1
179.05551	2.3
189.12817	2.6
191.05588	0.3
207.13867	3.6
208.14304	0.3
225.14992	1.2
240.00774	0.4
285.04099	0.9
318.36697	0.3
339.48032	0.3
387.20132	2.5
424.49771	0.3
447.09503	3.1
447.22803	0.7
448.10220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16841	0.7
57.00989	0.7
59.01375	71.1
70.14104	3.5
71.01409	1.5
73.02961	0.8
85.02924	1.9
87.00909	0.7
89.02454	3.6
93.03423	1.4
96.96004	5.3
98.19932	1.0
101.02442	1.6
113.02447	1.5
114.69475	0.8
119.03486	0.8
121.02924	1.4
123.04516	2.7
125.02423	1.7
137.02438	1.8
138.88423	0.7
141.49310	0.7
143.03523	0.8
159.65074	0.9
161.04535	2.6
165.01917	17.1
165.05530	1.5
172.90967	0.7
173.83820	0.7
177.01926	1.2
179.03468	1.2
180.04262	35.3
181.04529	0.7
181.88187	0.7
191.05589	2.4
192.04288	2.2
195.02959	8.5
195.06606	39.0
196.03127	1.0
196.06941	1.8
207.06567	3.2
210.05301	19.3
211.05664	1.3
225.07663	100.0
226.08031	4.7
284.03284	2.4
285.04047	2.5
394.83069	0.8
447.09076	1.4
448.14755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93515	0.3
59.01371	1.1
61.98833	0.6
62.96395	0.7
64.57807	0.3
70.90170	0.4
70.90498	0.4
78.95896	34.3
96.96010	0.5
96.96927	1.6
108.58503	0.3
133.02951	0.4
139.12000	0.3
140.94269	0.3
141.47755	0.3
149.00073	16.8
150.00311	0.3
151.00398	0.6
158.92509	1.4
179.01144	2.7
205.15971	1.5
213.02295	0.3
240.96745	0.4
267.11697	0.4
269.35757	0.3
284.03238	5.7
285.04007	11.3
286.04440	0.6
347.07980	0.6
417.12451	1.0
418.12521	0.3
431.10205	1.9
447.13492	100.0
448.08228	0.6
448.13809	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1292
Annotation	Siebolside A
Peak:m/z	Relative Intensity
52.39779	0.3
52.73580	0.3
59.01373	4.2
61.98809	0.3
65.00331	0.6
65.03982	0.3
69.28003	2.3
69.28429	0.6
71.68133	0.3
78.35386	0.2
79.95747	0.3
80.02690	0.5
81.03439	0.3
91.01883	14.7
93.03443	21.8
94.03830	0.3
95.01421	1.0
96.96022	0.7
101.02438	0.3
107.01416	1.0
107.05041	0.6
108.02162	19.6
109.02948	4.7
113.02492	0.5
121.02976	1.2
123.00867	5.7
124.01688	0.4
133.02972	0.9
134.39229	0.3
135.00871	13.6
136.01236	0.3
137.02428	54.0
138.02759	1.8
143.54561	0.2
149.02443	0.8
151.00369	1.2
152.01134	17.8
153.01529	0.6
169.06567	0.3
186.01538	0.4
197.06102	1.4
199.04024	0.6
199.07561	0.3
201.01987	0.3
208.97307	0.3
213.05551	1.6
215.07011	1.0
225.05501	0.3
241.04947	0.6
242.05704	0.3
243.06572	100.0
244.06906	6.4
255.03023	0.3
256.03580	1.0
284.03214	11.4
285.03995	23.0
286.04379	1.7
327.05197	0.3
356.94229	0.3
359.06451	0.3
387.10406	0.8
405.11368	0.3
436.30042	0.3
447.08636	13.5
447.25500	1.0
448.08759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1289
Annotation	Hesperetin 7-O-rhamnoside
Peak:m/z	Relative Intensity
59.01373	6.3
59.01638	0.4
61.98828	2.6
62.44144	0.3
63.02362	0.6
65.00311	0.7
69.61608	2.3
71.01365	2.1
73.02903	0.7
83.01366	0.6
85.02903	1.0
89.02409	0.8
92.74532	0.3
95.01335	0.5
101.02378	0.9
107.01334	1.5
108.02156	2.0
109.02938	3.0
113.02419	1.5
117.03455	13.4
118.03759	0.5
119.05006	3.9
121.02911	0.4
123.00882	2.8
123.66714	0.3
124.01653	6.5
125.02412	0.5
132.02144	2.4
133.02933	6.7
134.03731	2.1
138.03194	0.9
139.04012	3.1
145.02937	56.8
146.03282	2.4
149.02426	1.4
151.00354	3.6
160.01636	11.2
161.02408	1.8
163.03983	3.7
175.03979	14.2
176.04372	0.8
187.03978	0.5
191.05627	0.4
193.05087	2.0
195.04346	0.4
199.03992	1.8
201.02020	0.6
213.05621	0.5
217.05098	1.3
241.05098	0.9
243.03064	0.5
255.02934	0.4
256.04065	0.6
267.02988	0.4
284.03226	8.6
285.04007	100.0
286.04346	6.8
307.08209	7.5
308.08563	0.8
323.07770	0.6
337.09311	2.3
447.13623	26.8
448.14017	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03879	0.5
57.03444	1.7
59.01374	69.3
60.99288	0.8
61.98829	2.3
67.01881	1.2
69.03456	0.6
69.56683	3.7
71.01376	10.8
72.99295	1.2
73.02941	2.2
74.99095	0.6
75.00874	4.1
81.03467	1.1
83.01408	0.6
83.05028	1.3
85.02943	14.5
87.00874	5.5
88.53215	0.5
88.98812	3.5
89.02433	9.2
93.03454	13.8
95.01398	0.8
96.95998	3.2
97.02941	0.5
99.00896	0.9
99.04537	1.2
101.02437	4.5
109.02954	1.1
111.04500	2.9
113.02435	4.0
116.92851	6.0
117.00155	0.7
118.98088	2.4
119.03490	4.1
121.02994	1.2
123.04462	0.5
125.02434	1.4
127.03992	3.2
135.04568	0.7
137.02448	2.6
139.02283	0.8
143.03452	1.1
147.03049	0.7
152.68701	0.5
155.03528	1.3
156.92975	0.5
161.04561	3.7
167.01755	1.5
167.03496	0.5
171.03001	0.6
172.05328	3.1
173.04578	4.9
173.06079	2.5
175.02477	0.6
179.03491	0.7
179.04156	0.7
179.05600	4.0
191.05586	100.0
192.05937	2.4
197.02835	0.9
204.04396	0.9
211.07692	0.8
216.04276	1.3
221.11845	1.2
225.14973	1.1
228.46461	0.6
229.08649	13.0
230.09027	0.8
248.03207	0.7
249.03928	0.8
255.06660	0.9
273.07660	50.3
274.07965	3.1
284.03217	4.0
285.04013	8.7
293.08817	0.9
387.20419	1.7
421.96988	0.6
447.13470	30.0
447.22919	1.3
448.13934	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36493	0.5
55.01869	0.5
57.03442	1.6
59.01373	5.4
61.98820	1.7
69.61416	3.9
71.01376	6.9
72.99316	0.6
73.02943	3.3
74.99086	1.7
75.00856	0.9
83.01389	0.8
84.09739	0.5
85.02949	4.0
87.00859	1.2
89.02419	2.8
93.03455	1.1
95.01373	1.4
96.95997	4.6
97.02915	0.9
98.19936	1.4
98.95587	0.6
99.00861	2.9
101.02437	3.7
104.11220	0.6
108.02165	51.3
108.81938	0.6
109.02959	16.4
113.01741	0.5
113.02423	3.2
118.98088	8.6
120.99634	1.9
121.02943	6.4
123.00864	1.5
123.04504	1.9
124.01669	0.7
125.02424	9.1
133.05011	1.3
135.04536	0.8
137.02458	1.5
139.04047	1.0
143.48058	0.6
145.02904	1.3
149.02399	0.7
151.04004	3.1
152.01134	91.6
153.01900	4.3
161.02341	0.6
161.04510	2.0
163.03963	3.3
165.01909	0.8
166.02725	1.2
167.03488	3.3
175.03902	0.7
177.01874	4.6
179.03560	0.7
179.05617	0.7
181.05054	2.2
191.05571	1.7
207.02890	0.6
207.06477	0.5
210.05258	0.8
225.07619	1.9
245.07957	0.9
271.08191	0.8
273.07736	0.9
284.03214	0.9
285.04028	1.7
289.07144	2.0
315.07184	2.0
327.10641	0.6
407.07593	0.8
429.14090	0.7
447.11380	100.0
448.11758	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.3
59.01638	0.4
61.98828	2.6
62.44144	0.3
63.02362	0.6
65.00311	0.7
69.61608	2.3
71.01365	2.1
73.02903	0.7
83.01366	0.6
85.02903	1.0
89.02409	0.8
92.74532	0.3
95.01335	0.5
101.02378	0.9
107.01334	1.5
108.02156	2.0
109.02938	3.0
113.02419	1.5
117.03455	13.4
118.03759	0.5
119.05006	3.9
121.02911	0.4
123.00882	2.8
123.66714	0.3
124.01653	6.5
125.02412	0.5
132.02144	2.4
133.02933	6.7
134.03731	2.1
138.03194	0.9
139.04012	3.1
145.02937	56.8
146.03282	2.4
149.02426	1.4
151.00354	3.6
160.01636	11.2
161.02408	1.8
163.03983	3.7
175.03979	14.2
176.04372	0.8
187.03978	0.5
191.05627	0.4
193.05087	2.0
195.04346	0.4
199.03992	1.8
201.02020	0.6
213.05621	0.5
217.05098	1.3
241.05098	0.9
243.03064	0.5
255.02934	0.4
256.04065	0.6
267.02988	0.4
284.03226	8.6
285.04007	100.0
286.04346	6.8
307.08209	7.5
308.08563	0.8
323.07770	0.6
337.09311	2.3
447.13623	26.8
448.14017	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	32.5
58.00587	0.5
59.01375	65.1
60.01709	0.6
61.98832	1.1
64.55016	0.5
71.01371	7.5
71.07658	1.0
72.99310	0.6
73.01172	4.8
73.02940	0.8
74.99092	9.9
77.88884	0.5
83.01392	1.0
85.02959	2.0
87.00871	4.8
89.00653	7.0
89.02431	9.2
91.37613	0.4
93.03455	0.6
96.96002	0.7
98.99075	0.6
101.02436	5.6
107.05016	3.9
111.00895	1.3
113.02442	4.1
115.99355	0.8
117.00155	13.7
117.97316	2.0
118.98085	3.6
119.03491	4.2
121.02969	3.3
135.01208	3.1
135.04581	0.6
136.89632	0.5
137.00665	22.9
137.09721	1.3
138.01062	1.0
139.02226	23.8
140.02603	1.0
141.97284	2.7
142.98083	3.3
143.03477	1.3
145.06572	1.6
147.04509	1.1
153.03789	3.9
161.04524	2.7
163.07637	0.8
167.96629	0.5
179.00177	2.9
179.05566	6.6
181.03246	3.0
191.05655	1.2
195.04808	2.6
197.06406	1.0
205.79097	0.5
223.04295	1.0
228.55948	0.5
269.10248	1.0
277.81302	0.5
284.03357	0.7
285.04306	4.2
385.09354	0.6
387.07562	9.6
401.14316	0.9
411.07489	1.2
429.08569	0.6
447.09592	100.0
448.09833	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0927
Annotation	isoscutellarein glycoside
Peak:m/z	Relative Intensity
55.01869	0.6
59.01375	58.4
60.01699	1.1
60.64027	0.6
61.98827	4.0
65.59577	0.5
69.56001	3.9
71.01378	10.3
72.99291	0.8
73.02937	1.1
77.03941	1.2
79.01884	0.6
83.01369	1.8
83.05010	1.2
85.02945	3.2
87.00858	0.9
89.01909	0.9
89.02433	10.0
89.03958	0.6
93.03432	0.7
95.01360	1.0
96.95998	6.4
97.02917	0.9
99.00853	0.7
99.04530	0.6
101.02446	6.5
101.06045	0.9
107.01358	1.4
108.02177	0.6
109.02949	3.5
113.02425	4.1
116.92857	1.2
119.03474	4.6
119.05001	1.0
121.02940	3.0
123.04543	0.9
125.02401	1.3
131.03517	0.8
133.02946	18.3
134.03723	1.1
135.00864	0.6
135.04507	2.6
136.01671	0.9
137.02441	0.7
141.05557	0.6
143.03488	1.5
145.05077	1.6
147.04526	1.0
149.02426	1.5
151.00395	1.3
151.03976	0.9
161.02396	2.3
161.04561	4.0
161.05777	1.1
163.00337	2.6
163.03990	2.5
165.01938	3.5
171.04434	0.6
173.02321	0.9
175.03996	5.3
177.01895	1.6
178.27884	0.6
179.05630	3.0
191.03618	0.6
191.05615	2.2
199.03989	1.7
199.07523	0.8
201.01904	1.5
203.03506	0.9
207.10274	0.7
211.03931	1.2
212.04854	0.7
213.05499	1.7
217.05107	1.0
223.13286	1.0
225.05519	1.6
225.14975	0.6
227.03380	1.5
227.07170	1.0
231.06651	0.8
240.04303	1.0
241.04964	2.1
253.04970	1.4
255.02992	1.2
255.06564	1.6
257.04260	0.8
267.12292	2.0
269.04538	1.7
270.05270	0.9
281.04376	0.7
284.03284	7.3
285.04013	18.9
285.07053	1.2
286.04437	0.8
297.00552	0.9
297.03983	22.9
298.04791	18.3
299.05551	29.7
300.05869	1.9
309.03989	1.4
311.05557	7.2
312.06009	0.9
324.02841	1.7
325.03412	1.7
327.05048	100.0
328.05347	6.4
330.03821	1.1
337.03561	0.8
339.05038	11.9
340.05612	0.8
341.06442	1.4
357.06113	55.2
358.06418	4.3
369.06204	2.1
369.39011	0.7
371.07724	1.1
387.07382	0.9
387.20331	6.9
399.07156	1.2
429.08142	8.9
446.63580	0.7
447.09256	72.3
448.09668	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0928
Annotation	isoscutellarein glycoside
Peak:m/z	Relative Intensity
50.56592	1.0
59.01377	63.8
60.01702	1.7
61.98825	5.5
65.00287	0.9
66.50088	0.8
67.41252	0.8
69.78870	3.0
69.79281	1.5
71.01378	12.1
72.99303	1.3
73.02932	1.7
77.03993	0.8
78.24891	0.8
83.01401	1.5
85.02928	3.3
87.00900	1.2
89.02438	12.2
93.03456	1.4
95.01364	1.2
96.96007	6.2
97.02901	1.1
101.02455	6.8
105.03480	0.8
107.01392	1.0
109.02940	2.9
113.02439	5.9
115.72335	0.7
116.92828	0.9
119.02763	0.8
119.03481	5.5
119.05024	0.9
121.02943	3.0
125.02454	1.6
125.06080	0.8
125.76822	0.7
133.02942	20.0
135.04514	3.0
143.03462	0.9
145.05013	1.7
149.02457	2.2
151.04008	0.9
153.25017	0.8
161.02454	1.8
161.04495	4.5
161.05867	0.9
163.00388	3.2
163.03995	2.8
165.01903	3.0
167.23813	0.8
171.04456	0.8
174.20569	0.8
175.04007	3.8
177.01932	1.4
179.05612	4.9
191.03555	1.5
191.05585	2.8
195.06548	0.8
199.03947	3.5
201.01900	1.3
205.12358	1.1
207.10120	1.3
213.05618	1.4
223.13440	1.8
225.05540	1.2
227.03394	1.5
227.06947	1.5
231.06677	1.0
241.05153	1.7
253.05022	1.6
255.03014	1.5
255.06566	1.4
267.12256	1.8
269.04565	3.0
284.03229	8.4
285.04013	23.1
297.03998	25.5
298.04785	18.6
299.05579	32.2
300.05933	2.0
309.03860	1.1
311.05582	7.0
324.02625	1.1
325.03586	2.4
327.05060	100.0
328.05420	7.4
330.03860	2.0
339.05054	13.1
340.05203	0.9
341.06717	1.9
357.06128	57.9
358.06360	5.3
369.06131	3.3
387.07089	1.6
387.20404	6.8
388.20526	0.8
399.07443	1.3
411.06982	1.7
429.08163	8.7
447.09265	77.7
447.19159	2.4
448.09570	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41677	0.7
59.01384	6.8
61.98836	1.0
67.43024	0.8
69.28641	3.4
69.29068	4.5
72.79456	0.8
78.08794	0.7
85.02935	1.4
93.03414	2.0
96.95970	0.8
98.20622	1.9
107.01376	2.4
113.02458	1.9
117.03443	0.9
118.96709	0.9
119.04990	1.2
121.02895	1.0
123.04597	1.0
128.94252	0.8
133.02939	5.2
135.04489	1.7
137.02463	0.8
139.04008	1.6
151.00380	4.4
161.02406	9.6
179.03424	1.2
183.04480	1.0
191.05508	1.1
210.12238	1.1
211.04103	0.9
227.03462	42.9
228.03787	3.1
246.12917	0.8
255.02954	58.4
256.01627	0.7
256.03610	9.0
269.04480	1.6
270.04745	1.3
271.05515	3.0
284.03229	63.4
285.03986	53.5
285.06458	0.8
286.04346	4.3
323.07666	6.2
327.05200	0.9
447.09219	100.0
447.20319	4.2
448.09555	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98240	0.1
57.47406	0.1
59.01371	2.1
61.98826	0.1
63.02381	0.3
65.00304	0.7
66.67536	0.1
71.01373	0.3
71.39129	0.2
71.39471	0.2
81.03436	0.1
83.01386	0.6
85.53059	0.1
89.02457	0.1
105.03447	0.2
107.01388	1.8
113.02415	0.2
117.03471	1.4
119.05016	0.4
121.02932	0.3
123.00855	0.6
124.01639	0.5
132.02191	0.1
133.02937	8.1
134.03319	0.3
138.03203	0.2
139.03995	0.2
143.05005	0.2
145.02937	4.6
146.03294	0.2
149.02422	1.6
150.99141	0.3
151.00354	4.7
152.00667	0.2
163.03954	0.3
169.06627	0.1
171.04512	0.2
175.03973	2.7
176.04443	0.1
177.01874	0.2
185.05974	0.2
189.05551	0.2
191.05577	0.2
197.06029	0.4
198.03148	0.4
199.03987	2.5
200.04247	0.1
201.01971	0.8
211.04073	0.1
213.05550	0.5
215.03481	0.4
217.05042	1.5
223.03914	0.3
227.03653	0.2
229.05020	0.2
240.04208	0.2
241.05016	0.9
243.02982	0.5
256.03668	0.3
257.04449	0.3
267.02948	0.4
284.03235	2.5
285.04007	100.0
286.04349	7.6
307.08069	0.7
387.20093	0.3
403.29565	0.1
423.43060	0.1
447.08408	3.3
448.09406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.98817	0.5
62.60237	0.1
65.00303	0.7
69.55507	0.1
69.59531	1.1
69.59847	0.3
70.56744	0.1
73.02924	0.1
83.01385	0.6
104.17106	0.2
107.01371	1.6
121.02969	0.2
132.02190	0.2
133.02933	6.6
145.02957	0.4
149.02420	1.4
151.00352	4.0
152.00682	0.2
161.02467	0.2
165.09221	0.5
167.35257	0.2
171.04488	0.3
175.04002	2.4
176.04259	0.2
185.06042	0.2
197.06306	0.3
198.03201	0.3
199.03970	1.9
201.01961	0.5
211.04007	0.2
213.05518	0.3
215.03667	0.2
217.05028	1.4
223.03987	0.2
229.04932	0.2
241.04987	0.9
243.02959	0.6
256.03696	1.9
257.04355	0.4
267.02496	0.2
284.03204	3.6
285.04007	100.0
286.04364	8.3
447.09244	23.1
448.09518	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	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09476	0.2
59.01375	1.9
63.02378	1.0
65.00327	0.6
69.45980	1.4
69.46362	0.4
78.92316	0.2
80.79485	0.2
83.01378	0.8
84.41637	0.2
85.02943	0.2
105.03425	0.3
107.01379	2.3
109.02953	0.5
111.47482	0.2
121.02897	0.7
123.00877	0.2
132.02122	0.3
133.02934	3.6
134.03731	0.9
148.01599	0.5
149.02434	1.4
149.99577	0.4
151.00349	4.6
153.86113	0.2
154.99420	0.2
163.03850	0.2
167.05084	0.2
171.04466	0.4
173.06088	0.2
174.03186	0.2
175.04025	1.4
183.04497	0.4
183.34625	0.2
185.06027	0.2
187.03987	0.5
188.04774	0.3
197.06097	0.2
198.03078	0.4
199.03990	1.7
200.04630	0.5
201.01900	0.6
211.03978	0.8
212.04761	0.4
213.05542	0.3
215.03441	0.2
217.04990	0.8
227.03462	1.3
228.04161	0.4
228.08139	0.2
239.03331	0.6
241.05055	0.6
243.02950	0.9
255.03110	0.9
256.03738	3.3
257.04410	0.6
267.02933	0.3
269.04550	0.3
283.02393	0.5
284.03223	60.4
285.03995	100.0
286.04358	5.6
297.03983	0.5
299.05679	0.2
327.05093	1.4
447.09256	80.3
448.09601	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	445.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29929	1.0
55.95943	0.9
59.01374	100.0
61.98824	4.0
69.78732	3.6
69.79140	2.2
71.01359	1.4
85.03003	1.0
89.02434	1.3
91.04010	4.3
96.95998	36.2
101.02431	0.9
113.02382	2.2
117.03464	1.8
118.64265	0.8
119.05051	2.1
121.02922	1.5
141.69710	1.0
145.02936	3.5
152.91742	2.3
163.03978	1.1
209.11772	1.7
211.13371	2.1
211.32599	0.9
247.02391	6.3
261.03751	1.0
269.04388	4.7
272.04489	1.2
283.02417	1.2
293.21124	1.6
307.01688	4.8
311.22223	18.4
312.22705	1.5
314.54742	1.0
385.18930	1.3
427.10889	1.6
436.25665	1.0
445.22147	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0716
Annotation	XL147
Peak:m/z	Relative Intensity
55.12339	0.4
59.01434	3.8
61.98857	0.7
70.93897	0.8
73.03016	0.7
83.01471	0.4
85.03004	0.9
89.02497	0.9
93.03516	1.4
95.01416	0.4
95.05099	0.5
96.21861	0.4
96.46684	0.4
100.60653	0.4
101.02502	0.7
107.01426	1.0
109.02968	0.8
113.02520	0.9
121.03018	1.3
123.04510	3.7
125.02512	0.4
133.02910	2.2
137.02467	1.0
138.02766	0.6
145.02983	1.3
149.10918	0.4
150.03369	0.6
151.00421	1.7
151.04054	1.0
155.10855	1.1
167.05190	0.7
175.04106	1.2
183.04463	0.8
191.05676	1.8
195.04593	1.2
199.04034	1.3
199.09749	0.6
211.03975	3.0
211.13528	0.8
212.04663	0.5
223.04008	2.3
224.04634	0.7
225.05478	0.5
227.03540	1.2
239.03458	4.9
240.04211	1.8
241.04956	0.7
251.03476	2.4
255.02954	0.7
256.03802	1.1
257.04605	0.5
265.01465	0.7
266.02304	0.8
267.02933	11.4
268.03729	4.8
269.04376	0.8
278.02179	0.7
282.01730	4.1
283.02481	2.5
284.03235	16.2
285.04004	35.5
286.04358	1.8
293.00928	1.3
295.02429	58.0
296.03137	20.0
297.03888	3.9
309.03967	1.4
322.01178	0.6
323.01892	6.8
324.02383	0.5
325.03445	1.8
328.02185	1.2
337.03531	1.0
338.04150	0.8
401.06522	0.6
429.06427	0.7
447.07120	100.0
448.07468	10.8
466.74936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43708	0.2
54.83022	0.2
57.03453	0.4
58.00587	0.4
59.01372	100.0
60.01416	0.2
60.01706	0.8
61.98817	1.6
62.31055	0.3
69.03468	0.2
71.01370	4.8
71.63480	0.3
72.99300	0.7
73.02940	1.7
74.99097	0.3
75.00889	0.6
83.01395	0.4
83.92705	0.2
85.02937	1.8
87.00881	0.6
88.70202	0.2
89.02434	6.5
93.03437	1.1
95.01378	0.3
96.96017	1.0
99.00879	0.5
99.04487	0.3
101.02444	2.5
113.02437	2.9
114.27959	0.2
117.03454	5.0
119.03490	2.4
119.05038	1.7
120.99675	0.4
121.02973	0.5
123.00863	1.2
123.04517	0.3
125.02460	0.6
127.07632	0.6
131.03485	0.4
135.02980	0.5
135.04535	0.4
136.01685	0.4
136.99184	0.3
137.02419	2.2
137.06076	0.8
138.03256	0.8
139.04056	0.6
143.03519	0.6
145.02936	18.7
146.03207	0.5
149.02446	0.4
149.04514	0.4
151.00401	1.0
151.04083	0.4
153.09216	0.4
155.07207	0.4
159.04570	0.3
161.02396	0.2
161.04582	0.8
163.00497	0.3
163.03947	1.1
175.02573	0.4
178.99886	0.3
179.03488	0.6
179.05551	1.9
183.10318	1.0
187.03998	0.7
189.99155	0.7
197.11880	0.7
205.04967	0.3
209.11803	0.6
225.11369	1.1
239.05478	0.4
243.02989	0.3
255.02946	0.5
265.07138	0.3
265.10831	0.4
265.17618	0.2
269.04456	2.7
270.04852	0.4
271.02542	0.9
281.06635	1.2
283.02267	0.3
283.05728	0.3
283.15594	1.0
300.02673	1.2
301.03442	2.1
307.08298	0.7
309.04114	1.0
385.18921	0.5
407.12567	0.3
409.15121	0.8
445.06549	0.3
445.11230	0.9
445.20026	1.4
445.25839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98833	4.5
69.60922	2.9
69.61346	3.2
77.81539	1.0
78.95885	1.3
89.02423	1.5
91.04002	2.1
96.95996	18.2
98.20563	1.8
101.02456	1.2
110.72433	0.9
113.02438	2.1
121.02924	1.4
152.99591	1.9
158.90196	1.1
211.13420	1.1
255.03078	2.4
261.93597	1.0
269.04605	4.9
283.02484	1.6
284.39590	1.0
293.21228	1.1
297.10114	1.0
311.22263	15.6
385.13370	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.0
67.36049	0.3
67.75482	0.4
78.95892	5.8
110.98513	4.9
167.01143	1.9
185.02158	3.6
259.20615	0.6
277.21677	100.0
278.22015	7.7
327.63126	0.4
445.23489	7.7
446.23831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.5
59.01374	100.0
69.54084	6.4
71.01374	27.0
72.99305	0.9
73.02942	4.9
83.01380	1.3
85.02943	8.4
87.00863	1.2
89.02435	21.6
95.01389	2.0
96.95992	1.0
97.02960	1.9
99.00864	1.9
101.02441	16.1
105.12457	0.7
113.02431	12.7
113.06075	1.1
115.67371	0.9
119.03472	7.9
121.02934	3.5
122.03743	0.9
123.08109	1.0
125.02354	0.9
131.03452	1.7
138.06841	5.8
139.07616	3.3
143.03477	3.7
151.07634	7.4
152.04802	1.0
152.08415	10.4
153.09192	33.4
154.09503	1.1
154.35777	0.8
159.02956	1.5
161.04526	14.3
163.11186	0.9
165.09103	1.1
179.05562	10.0
179.10789	0.9
205.12297	12.3
223.13351	15.2
250.88423	0.8
318.67850	0.8
366.78894	0.9
385.18600	29.4
386.18909	3.4
387.77930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.95343	0.5
57.03450	1.0
58.00592	2.2
59.01376	100.0
60.01711	1.1
68.29443	0.5
68.70778	0.5
69.61959	2.2
69.62399	2.2
71.01378	39.0
72.13225	0.5
72.99308	1.5
73.02952	1.3
77.99128	0.5
83.01408	1.6
85.02954	6.5
87.00883	2.5
89.02438	54.0
91.05533	0.7
95.01401	2.1
96.96021	3.4
98.19859	0.9
99.00938	0.6
99.04507	1.8
101.02441	18.2
102.35231	0.5
109.06558	0.7
113.02441	16.1
119.02639	1.0
119.03496	20.3
121.02975	1.3
131.03497	2.7
143.03481	4.7
147.11815	0.9
149.04597	2.4
159.11787	4.2
161.04562	7.8
163.11293	0.9
177.12888	1.9
179.05606	20.9
179.10803	0.8
180.05913	1.0
191.10835	0.6
195.06430	0.7
203.10750	8.9
205.12349	4.6
219.13583	0.6
221.11794	7.7
247.09772	4.9
265.10803	3.4
309.25885	0.6
322.91757	0.6
385.18744	1.1
427.16373	2.0
445.16885	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	445.15
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
52.10496	0.3
55.01861	0.6
57.03441	0.6
58.15230	0.4
59.01091	0.5
59.01373	6.8
61.98818	1.5
70.77044	1.1
71.01377	3.6
73.02938	1.3
73.31005	0.4
83.01391	0.5
85.02934	2.5
87.00801	0.4
88.64814	0.4
89.02428	1.5
95.01342	0.5
98.95583	0.4
99.00888	0.6
101.02419	2.3
108.02148	0.8
113.02452	1.8
117.03458	3.2
119.05042	0.7
120.99657	0.7
125.02438	0.6
132.02156	21.7
133.02965	5.8
134.03726	29.5
135.04037	0.5
137.02434	0.5
138.01971	2.5
138.04620	0.4
138.05586	2.1
145.02928	6.8
147.04532	0.5
149.06033	4.5
160.01640	94.5
161.02095	4.2
161.04552	1.0
175.03978	100.0
176.04317	2.9
177.01913	1.2
179.03496	0.6
193.05028	29.8
194.05359	1.3
203.03580	0.6
269.04639	0.8
293.79572	0.5
307.08429	0.5
391.63602	0.5
430.12503	0.9
445.14972	62.9
446.15195	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	445.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.2
61.98808	1.5
69.38531	1.4
69.38937	2.9
71.01377	4.6
73.02941	1.3
76.22699	0.4
76.87481	0.4
77.95616	0.4
83.01370	0.8
85.02926	2.6
89.02425	1.4
95.01414	0.7
98.19913	1.1
99.00857	0.8
101.02422	2.8
105.03459	1.1
109.02956	1.0
113.02447	1.9
117.03422	2.4
119.04959	0.9
125.02411	0.7
132.02159	20.9
133.02974	5.0
134.03723	26.4
135.04201	0.6
137.02446	0.7
138.05602	0.9
145.02925	6.1
149.06046	3.7
160.01634	94.6
161.02014	3.6
161.04573	0.8
163.03972	0.9
165.09129	0.7
175.03975	100.0
176.04298	4.2
177.01952	1.1
178.02676	0.6
179.03558	0.6
188.06218	0.5
193.05034	26.9
194.05409	1.0
202.59029	0.5
239.21913	0.5
269.04468	0.7
307.08167	0.8
346.14462	0.5
430.12799	0.8
445.14981	63.5
446.15210	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	445.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93622	0.4
59.01372	100.0
60.01724	1.1
68.20530	0.6
69.54494	2.7
69.54897	0.6
71.01373	7.3
73.02940	2.1
80.53049	0.4
83.01390	0.7
84.92451	0.4
85.02937	3.2
89.02430	2.0
95.01398	0.4
99.00887	0.6
101.02458	3.8
102.73374	0.4
106.05995	0.4
113.02430	3.5
119.03505	0.5
159.03000	1.0
161.04552	4.9
385.18793	0.9
465.20273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
58.00590	1.8
59.01374	100.0
69.03462	0.6
69.32676	0.6
69.42937	4.8
71.01377	41.0
71.05031	1.8
72.99298	1.7
73.02946	2.2
73.31725	0.6
83.01391	1.7
85.02946	7.7
87.00884	2.4
89.02436	52.2
90.02774	0.9
91.24990	0.7
95.01399	2.2
96.96004	11.0
97.02946	0.7
99.00847	0.7
99.04513	2.5
101.01765	1.2
101.02436	21.5
109.06573	1.2
113.02442	15.9
119.03493	19.8
121.02957	3.0
125.02464	1.3
131.03520	2.6
143.03477	5.3
145.03009	1.4
146.03319	0.7
147.11766	0.7
149.04572	2.0
159.11763	8.2
161.04555	7.5
161.09798	0.7
163.11301	2.6
175.11356	1.4
177.12892	2.2
179.05595	19.6
179.10767	1.4
180.05940	0.8
187.11316	0.9
191.10809	1.9
195.06593	1.4
203.10756	16.2
204.11137	0.9
205.12294	10.8
209.11824	0.8
221.06648	1.4
221.11766	13.1
222.12192	1.5
223.13416	0.8
235.09904	0.9
247.09686	8.2
265.10767	7.9
313.62820	0.8
401.18460	0.8
405.62527	0.7
427.15942	4.1
445.16849	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	445.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37294	0.3
58.98572	0.3
59.01373	8.1
61.98824	2.6
69.03407	0.3
71.01376	4.5
71.63067	0.5
72.99300	0.6
73.02940	1.5
75.00880	0.3
79.38605	0.2
83.01366	0.6
85.02943	2.7
87.00861	0.4
89.02434	1.5
90.62595	0.2
90.93279	0.2
95.01368	0.3
95.05031	0.6
96.96011	0.4
97.02963	0.3
99.00882	0.6
101.02429	2.6
102.77325	0.3
103.47704	0.3
105.03452	0.9
108.02161	0.6
109.02927	0.5
113.02457	2.0
117.03459	4.5
119.03432	0.3
119.05030	1.1
120.29720	0.3
120.99670	0.3
121.02930	0.3
123.04555	0.4
125.02438	0.4
131.03490	0.3
132.02155	21.5
133.02956	5.7
134.03723	25.8
135.04425	1.1
137.02411	0.7
138.01968	3.4
138.02934	0.4
138.05563	1.8
142.91771	0.3
145.02937	6.8
147.04512	0.9
149.06067	4.4
153.01939	0.5
153.05563	0.7
160.01639	98.3
161.02034	4.4
161.04541	0.9
161.06032	0.2
163.03976	0.7
166.25174	0.3
175.03975	100.0
176.04320	4.0
177.01918	1.2
178.02701	0.4
179.03468	1.2
191.05591	0.3
193.05032	28.8
194.05363	1.4
241.08687	0.4
269.04590	1.2
281.54886	0.3
293.08673	0.3
307.08176	0.6
327.21768	0.4
430.12598	1.0
445.14969	60.7
445.23654	2.3
446.15216	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
59.01627	1.1
68.47657	1.2
69.46472	5.7
69.46879	1.9
71.01375	5.1
75.00864	75.7
85.02931	1.3
89.02435	5.9
101.02422	2.2
103.00361	100.0
104.00697	1.1
104.03504	1.7
119.03504	1.3
179.05498	1.9
341.10803	11.4
410.35635	1.1
460.98886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03561	0.7
57.03446	0.9
58.00576	0.7
59.01375	17.7
61.07748	0.7
61.98825	2.7
64.96001	0.7
68.29569	0.7
70.87922	0.7
71.01376	11.9
71.62139	0.9
72.99286	1.3
73.02940	2.4
73.04065	0.7
75.00876	1.4
79.95722	0.9
83.01361	0.7
85.02951	2.9
87.00863	2.2
89.02444	8.6
93.03437	3.0
95.01366	1.1
96.96002	32.8
96.96943	1.5
97.02954	0.9
98.95559	1.7
99.00858	0.9
101.02443	5.6
113.02437	3.9
117.03441	0.8
119.03503	2.7
121.02968	3.3
121.05104	0.9
123.04520	1.3
128.03519	1.7
132.02185	1.4
133.02945	29.4
133.98303	0.9
135.04538	9.4
136.01724	0.7
137.02432	3.4
139.04024	1.5
146.04506	1.0
149.02371	2.3
149.05978	0.8
151.03987	1.2
153.01833	0.8
161.02426	100.0
162.02766	3.9
163.04019	1.0
164.04753	2.1
165.05501	0.9
167.03426	1.9
173.04691	0.8
175.02521	1.1
179.03485	6.2
179.05658	0.9
191.05556	1.0
208.03772	1.7
209.95000	0.7
210.03766	0.8
221.04562	1.0
221.08223	0.8
223.06186	4.1
223.91039	0.7
265.10718	1.1
270.41272	0.7
283.08313	1.1
405.69757	0.7
445.13437	73.0
446.13864	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	445.1361
Annotation	10-Acetoxymajoroside
Peak:m/z	Relative Intensity
59.01373	29.0
61.98822	26.1
66.00832	1.4
68.45014	1.5
71.01370	11.0
71.61684	1.5
72.99292	2.1
75.00815	1.3
78.03036	1.6
78.95919	2.1
79.95708	1.5
83.01379	1.8
85.02955	2.0
87.00903	1.4
89.02431	14.2
91.49219	1.2
93.03443	21.6
95.86124	1.4
96.95999	56.2
96.96974	3.5
97.02952	1.3
99.00874	25.3
101.02435	17.5
107.05014	35.6
109.02969	1.7
111.00870	9.2
113.02428	4.2
117.03482	2.0
119.03527	7.9
119.05000	17.9
120.01249	1.4
120.82070	1.3
120.99680	1.3
121.02940	5.6
123.04517	1.9
131.05058	6.9
133.02940	10.5
135.04494	17.1
143.04922	1.7
145.06566	3.6
147.04509	47.3
149.02460	1.6
149.06055	34.3
159.02991	2.4
159.04413	1.6
161.02426	4.2
161.04489	1.6
163.03998	18.0
163.97256	1.4
165.05550	77.7
166.05878	4.4
166.81805	1.6
173.06033	18.7
175.02602	1.8
175.03958	7.5
175.07535	3.1
177.05562	4.7
179.05573	4.6
181.05040	30.7
181.06546	2.5
187.04019	3.4
193.05089	1.7
195.06528	2.7
203.07176	1.9
205.05016	13.0
213.34932	1.5
217.90237	1.3
218.19406	1.8
221.08119	3.1
223.05951	1.8
265.07242	8.3
283.08185	100.0
284.08502	5.5
325.09134	8.3
343.10278	7.7
355.10208	2.2
361.12921	3.4
367.10263	3.1
409.14801	2.4
427.12360	14.2
445.13480	15.7
445.19785	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	445.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
57.03414	0.4
58.00551	0.3
59.01377	8.9
59.85631	0.3
61.98825	3.5
71.01380	5.4
71.62775	0.3
71.63157	0.4
72.99291	0.5
73.02945	2.0
83.01360	0.8
85.02952	2.3
87.00852	0.4
89.02432	2.7
93.03452	47.7
94.03783	1.1
96.95992	0.6
99.00855	0.7
101.02435	3.5
108.02168	1.4
109.02946	9.6
113.02435	2.3
117.03442	3.2
119.03522	0.6
119.05014	3.0
121.02960	0.6
123.04549	0.5
125.02453	0.5
128.57629	0.3
131.03491	0.5
132.02199	0.4
133.02946	9.9
134.03732	0.3
135.04514	4.0
135.05449	0.3
137.02435	100.0
138.01904	0.6
138.02797	3.0
145.02942	13.3
146.03386	0.4
147.04585	0.5
149.04558	0.7
152.01143	1.6
153.01939	5.5
153.05661	0.6
153.09207	0.3
159.03151	0.4
161.02435	26.9
161.04675	1.7
162.02875	0.8
163.03966	1.8
179.03494	2.0
183.10391	0.6
184.10704	0.5
201.04323	0.3
205.12549	0.4
209.12000	0.5
233.06824	0.3
235.02086	0.3
255.03311	0.8
265.07523	0.3
269.04913	0.9
269.24832	0.3
283.02765	0.6
297.06516	0.3
299.08157	0.5
307.08176	3.1
313.17166	1.5
323.08163	0.7
445.16202	13.3
445.21692	3.7
446.16574	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0771
Annotation	Baicalin
Peak:m/z	Relative Intensity
52.26521	0.2
55.01878	0.4
55.39303	0.2
57.03440	1.2
59.01372	9.3
63.02386	2.0
63.98250	0.2
65.00031	0.2
65.00317	1.1
65.52686	0.2
67.01878	0.3
68.99798	0.5
69.71043	1.2
71.01378	7.1
72.99294	1.2
73.02927	0.6
73.80688	0.2
74.44107	0.2
75.00867	3.1
83.01376	0.5
84.02164	0.2
85.02944	13.3
86.03278	0.3
87.00864	2.5
89.02445	1.5
93.03442	0.6
95.01376	4.5
98.20621	0.2
98.22112	0.2
99.00867	4.8
103.00350	2.1
107.01379	2.2
111.00846	0.2
113.02439	24.1
114.02786	0.5
115.00340	1.1
117.01969	1.8
117.03444	5.6
122.58943	0.3
124.89744	0.2
129.01936	1.1
135.04477	0.6
149.02457	1.8
151.00342	1.6
157.01399	0.5
159.04486	2.5
161.02446	1.3
169.06516	0.5
170.53922	0.2
175.02457	6.5
176.02721	0.3
180.05826	0.3
181.06552	0.7
183.04427	1.0
190.56827	0.2
196.05199	0.6
197.06018	0.6
199.03957	0.4
201.05490	1.0
209.11792	0.4
224.04854	0.3
225.05539	2.1
227.03459	0.7
238.65782	0.2
256.98431	0.2
268.03729	0.3
269.04510	100.0
270.04858	8.0
270.75839	0.2
293.31003	0.2
445.07608	1.9
446.07858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29773	0.2
56.84639	0.2
57.03446	0.7
59.01373	7.9
61.98827	5.3
65.03960	0.3
71.01382	3.9
71.62908	0.5
72.99296	0.9
73.02943	3.1
74.99094	3.3
75.00858	0.5
77.48193	0.2
83.01382	0.3
85.02943	1.5
87.00887	0.3
89.02431	2.3
93.03452	51.6
94.03770	1.3
96.96021	1.2
97.06587	0.2
99.00881	0.6
101.02455	1.7
109.02954	0.3
111.00895	0.4
113.02423	2.0
117.03455	3.3
119.03445	0.5
119.05016	2.5
120.99661	0.4
121.02992	0.4
131.03493	0.5
135.04510	0.8
136.01720	0.3
136.07602	0.3
136.99146	3.5
137.02432	100.0
138.02773	3.6
145.02940	12.6
146.03275	0.5
149.04561	0.8
153.09238	0.6
155.10788	0.8
157.33174	0.2
159.04552	0.3
161.04549	0.7
163.03973	2.2
163.07674	0.3
171.10345	0.3
175.02512	0.3
179.03546	0.7
183.10199	0.2
205.12282	1.9
209.11848	0.8
221.15521	0.4
223.13361	0.4
239.16341	0.3
269.04480	2.7
281.06693	0.6
283.15479	3.5
284.03427	0.4
295.02545	0.5
299.07684	0.8
301.03510	0.4
307.08224	3.0
313.16589	0.5
373.26077	1.0
385.18643	1.0
411.29471	0.3
445.05762	0.4
445.11053	0.8
445.15408	0.6
445.20267	3.4
446.21133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1135
Annotation	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
Peak:m/z	Relative Intensity
59.01371	6.8
61.98819	5.1
65.11722	0.4
69.03447	0.6
69.32447	3.0
71.01373	1.9
72.84951	0.4
73.02955	0.5
81.03455	1.7
85.02930	2.8
89.02431	1.2
90.82518	0.3
93.03456	0.7
95.01364	1.1
101.02431	0.8
107.01395	0.6
108.02163	89.9
109.02950	56.8
109.03526	0.7
110.03269	1.0
113.02436	0.9
117.03428	0.5
121.02942	1.2
123.00848	1.5
123.04527	0.8
125.02432	0.5
132.27232	0.4
133.02945	1.9
135.00876	1.0
135.04482	0.8
137.02434	0.4
145.02908	0.9
147.04504	3.6
151.04008	1.3
152.01138	67.0
153.01926	45.5
153.02885	0.5
154.02248	1.4
161.02422	4.0
161.04459	0.5
163.03975	1.0
165.01939	1.0
167.08653	0.5
168.10703	0.5
183.08134	1.3
194.42400	0.4
195.02983	0.6
195.08141	0.6
197.06133	0.7
210.06825	0.9
211.07576	2.7
221.06087	0.5
223.13278	0.7
226.29723	0.6
227.22063	0.5
238.06195	0.5
239.07109	7.1
253.08791	0.5
255.02911	1.1
269.04459	1.0
297.05948	0.8
399.68011	0.5
445.11279	100.0
446.11737	10.0
450.71652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86148	0.2
59.01373	3.4
61.98823	100.0
71.01382	0.6
77.90586	0.2
85.02948	0.4
87.00845	0.2
101.02459	0.3
108.02146	1.2
109.02948	4.7
113.02473	0.3
117.03451	0.7
120.99689	0.3
123.04525	0.5
135.04460	0.3
145.02980	1.2
147.04514	0.3
152.01161	1.0
153.01942	3.4
153.05632	0.3
161.02452	0.7
201.54430	0.2
269.04645	0.3
283.02435	0.3
444.13318	0.4
445.11237	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	444.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97733	0.2
59.01379	6.5
61.98827	100.0
63.80686	0.2
70.33460	0.6
70.33855	0.7
71.01383	1.0
71.19617	0.2
85.02930	0.6
89.02463	0.6
93.03444	0.3
101.02432	0.5
113.02460	0.3
137.02464	0.6
139.39122	0.2
145.03011	0.8
153.01947	0.3
160.01607	0.3
167.03549	0.4
175.03989	0.4
177.48323	0.3
186.06508	0.3
223.09892	0.4
259.50815	0.3
269.04633	0.3
278.06094	0.3
284.57172	0.3
325.55298	0.2
384.33380	0.3
445.09683	0.6
445.24457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02202	0.3
52.42859	0.4
55.01869	0.6
58.67978	0.4
59.01376	100.0
60.01718	1.2
61.98829	31.5
71.01383	3.6
71.63615	0.6
73.02943	0.9
74.94525	0.4
83.01404	0.4
85.02952	1.3
87.00860	0.7
87.04545	0.5
89.02441	3.7
96.95972	0.9
99.04495	0.6
101.02427	2.8
109.02976	0.8
113.02469	1.6
117.03484	1.4
119.03500	1.6
119.05029	0.5
121.02971	1.4
123.04481	1.9
125.02439	0.6
137.02480	0.7
145.02948	5.5
163.04013	0.5
167.03491	4.1
176.41661	0.4
187.11313	1.7
191.03561	0.7
203.07123	0.5
263.12918	1.7
289.07285	1.1
307.08423	0.5
383.14673	0.7
407.17004	2.7
443.18790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04162	0.6
54.15259	0.6
56.13318	0.6
57.80532	0.5
67.74117	0.5
71.30571	1.0
87.26677	0.6
103.02937	0.6
107.11610	0.5
111.14658	0.5
159.08446	4.1
161.06339	1.6
217.07114	1.0
277.07504	2.3
343.11990	0.8
345.13766	1.3
346.52271	0.7
357.13654	3.0
359.15292	100.0
360.15482	11.8
377.16138	0.8
395.93399	0.6
425.20377	1.0
427.21536	50.1
428.21704	7.0
443.24719	9.9
443.35114	1.0
444.24753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65506	0.5
51.76810	0.5
53.62733	0.5
59.01375	100.0
61.98826	1.4
66.00008	0.5
68.84202	0.5
69.31134	1.1
69.31537	3.9
71.01389	0.7
90.61376	0.5
91.04010	2.1
91.93736	0.5
96.96036	1.6
98.19739	0.5
111.08173	1.5
171.10417	0.7
197.11786	3.6
211.13434	0.9
291.19592	4.5
309.20651	7.8
345.60190	0.5
383.12985	0.6
431.03305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01715	0.8
61.98819	1.7
71.01394	1.0
71.62969	0.6
89.02458	0.8
91.03972	4.1
96.95995	2.3
104.81138	0.5
109.06603	0.5
110.07001	0.5
111.08173	1.5
121.02950	1.0
151.48030	0.5
151.88753	0.5
175.07356	0.5
184.84042	0.5
197.11815	4.9
211.13411	1.3
273.18378	0.6
291.19626	3.8
309.20691	12.4
310.21237	0.8
383.13373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1918
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01879	2.2
57.03449	1.3
58.00581	1.5
58.61858	0.4
59.01376	36.8
69.65800	3.1
71.01376	24.7
72.99293	1.5
73.02952	3.9
83.01392	3.5
83.05013	0.5
85.02946	9.9
87.00879	1.1
89.02435	15.7
95.01397	2.6
96.79492	0.4
96.95988	1.5
99.00856	1.7
101.01760	1.0
101.02434	19.1
102.02746	0.5
102.56701	0.4
111.04461	0.7
113.02435	7.8
114.23741	0.5
119.03502	6.3
123.08156	0.6
130.25977	0.4
149.04605	0.5
161.04546	1.9
171.11760	0.6
189.12825	1.7
214.77100	0.5
219.14009	0.9
237.14880	1.2
245.04486	0.7
443.19177	100.0
444.19516	10.7
456.96112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19487	1.0
55.01885	1.6
57.03442	2.5
58.00591	2.5
59.01096	2.1
59.01377	39.4
60.99302	2.5
61.98816	6.0
65.75257	1.4
71.01374	35.4
71.61930	1.2
72.97548	1.6
72.99307	2.9
73.02937	5.1
75.00862	35.8
79.95731	3.5
80.91675	1.3
82.95414	1.1
83.01380	6.5
85.02945	10.7
87.00861	3.5
88.98801	17.4
89.02431	20.2
90.98565	1.3
93.03449	15.5
95.01386	3.1
96.95996	20.9
99.00880	13.5
101.02421	19.4
107.05018	6.3
108.02147	4.4
109.02912	1.9
109.30960	1.2
111.00854	1.2
111.04508	3.8
111.06609	1.2
113.02451	11.3
113.99610	1.2
117.03438	2.1
119.03542	7.5
119.05011	19.6
119.37558	1.0
121.02933	2.3
121.06590	3.1
123.04490	3.7
125.02395	1.8
129.01933	2.8
131.03494	1.3
131.05025	1.7
133.02977	6.2
135.04494	5.0
137.02438	2.6
139.04013	1.5
145.02928	7.4
147.03064	1.1
147.04514	3.0
149.02464	1.8
149.06070	9.6
150.03189	5.0
152.01132	9.9
160.01530	1.2
161.04649	2.0
161.05917	1.4
163.03990	27.3
164.04617	1.1
165.05551	13.0
167.03468	12.0
173.06110	1.5
174.01666	72.1
175.02040	1.8
175.03972	3.1
177.05551	18.0
181.05054	15.7
189.12836	1.4
191.05566	9.8
193.04997	1.2
195.06700	1.6
201.05528	4.0
203.03413	1.5
219.06618	4.9
221.04538	29.1
237.07756	1.5
245.01201	2.9
245.04602	2.3
263.05609	1.1
275.02200	2.5
287.05527	3.8
293.08884	1.2
325.09164	4.7
343.10269	2.7
353.08615	2.7
355.10281	2.2
358.57904	1.1
383.09814	29.2
384.10068	2.6
395.09763	1.7
441.72723	1.2
443.06384	11.3
443.12158	12.3
443.19162	100.0
444.12982	2.1
444.19501	9.5
461.17798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.9
60.78761	1.7
61.98815	6.2
69.53418	12.2
69.53836	3.4
71.01377	21.8
72.99306	2.6
75.00867	59.8
79.95737	4.3
83.01404	2.5
85.02925	3.5
89.02457	5.7
93.03448	31.9
96.96003	95.9
97.02925	1.9
99.00864	22.6
101.02434	2.3
104.59914	1.8
107.05029	16.5
108.02177	25.0
113.02442	2.5
115.00337	2.7
117.01953	3.6
117.03456	8.4
118.98119	2.5
119.03626	2.2
119.04224	3.5
119.05013	53.0
121.02937	2.0
121.06570	7.7
122.97588	2.3
123.04528	16.3
129.01875	3.6
131.05013	3.0
133.02943	11.6
135.04472	13.1
145.01907	2.5
145.02939	17.3
147.04491	8.6
149.06059	16.8
151.99936	3.2
152.01143	50.2
156.00737	2.0
161.02484	3.2
161.06010	4.0
163.02689	3.9
163.03990	54.3
165.05568	13.7
167.02110	4.2
167.03477	76.9
168.03873	3.0
173.05969	2.5
174.01678	100.0
177.05524	25.5
181.05045	42.7
201.05551	6.0
203.03506	3.7
219.06552	2.2
221.02586	3.6
221.04539	42.1
267.33533	2.1
275.02295	7.3
325.09351	9.9
343.10400	5.7
383.09760	39.5
384.10416	2.6
395.09753	2.9
443.06595	22.8
443.11832	8.2
444.06839	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	442.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01370	0.8
61.98824	100.0
65.00327	0.4
69.63223	2.9
71.91143	0.4
81.03457	2.5
83.01369	0.5
86.50660	0.4
114.49358	0.4
121.32051	0.4
122.03743	1.3
125.02403	2.4
140.64644	0.4
165.87813	0.4
239.24977	0.4
256.65146	0.4
293.24948	0.7
309.57278	0.4
316.64465	0.4
334.21332	0.4
335.25964	2.6
379.24838	45.8
380.25290	4.0
425.68045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96882	0.6
57.29932	0.6
59.01374	6.6
69.95637	2.7
69.96045	1.2
71.01388	4.6
71.76264	0.6
73.02936	0.9
74.87653	0.6
75.00870	1.5
79.95729	15.4
80.96517	7.1
81.75109	0.7
85.02941	2.0
89.02446	3.8
91.01879	0.8
93.03431	3.3
96.96005	12.4
98.19920	0.9
99.00881	0.7
101.02439	2.8
107.04987	0.6
108.02170	9.9
109.02970	0.9
111.04505	1.7
113.02434	2.7
117.03463	0.9
119.03477	1.9
119.05013	3.7
121.02950	6.1
122.03737	5.3
123.04518	18.0
133.02945	2.3
135.04417	0.8
137.02409	1.2
145.02930	3.3
145.50436	0.7
147.04475	0.6
149.02426	9.7
150.03214	55.9
151.03679	2.0
152.01129	24.1
155.27943	0.8
161.04555	0.7
161.06111	0.8
162.03186	1.0
163.03964	3.4
164.04747	2.1
165.05556	72.2
166.05870	3.3
167.03482	30.6
168.03885	1.2
175.06142	4.9
177.05527	0.9
179.05666	0.9
180.04251	4.0
181.05049	2.4
195.04797	1.1
195.06606	21.4
196.07004	1.4
201.07491	0.7
203.00157	3.3
203.03429	1.5
212.17587	0.7
221.04535	1.7
228.07188	0.7
237.06186	1.0
245.01207	28.1
246.01617	1.3
256.07391	2.8
271.09912	1.2
275.02292	15.9
276.02493	1.1
297.08301	0.8
315.08661	5.2
316.09137	0.8
325.93683	0.7
342.87653	0.6
363.10907	3.3
375.45596	0.7
383.10001	0.7
442.18011	0.8
443.06482	100.0
443.11713	5.0
443.19058	6.2
444.06723	8.3
444.12091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1891
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
54.26390	4.5
54.43595	5.1
68.46013	4.4
69.65249	21.7
71.01367	5.6
74.71445	5.0
85.30924	4.2
89.02429	6.8
96.95985	16.0
122.18435	4.9
145.02890	6.3
151.98595	5.3
158.57962	4.4
168.03217	4.5
338.16916	5.1
441.13101	6.2
441.18903	100.0
442.19208	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	441.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03439	1.2
59.01374	100.0
60.01709	1.2
61.98814	1.0
62.85737	0.4
70.30391	1.8
71.01369	4.3
73.02941	1.4
75.31057	0.4
76.05283	0.5
80.17845	0.4
81.03489	0.5
83.01390	1.0
85.02943	3.1
87.00897	0.8
89.02460	1.3
93.03462	0.8
95.01402	0.8
96.96022	1.7
98.20575	0.5
101.02436	2.5
109.02965	0.7
111.04345	0.4
113.02434	2.2
119.03515	0.8
119.05025	0.6
120.05812	0.7
121.02934	2.5
123.04483	0.5
125.02455	1.3
134.03746	0.7
134.76404	0.4
135.04543	0.7
135.08118	0.9
137.02454	0.8
137.09702	1.7
145.02937	0.9
149.09706	0.9
160.01660	2.7
160.08951	3.0
161.04544	2.6
161.09654	0.8
163.04060	0.5
163.07629	0.7
175.04002	2.4
177.12808	3.4
189.12823	10.5
190.13216	0.8
191.14360	0.7
201.12828	5.4
204.11508	2.5
205.11787	0.5
219.13876	71.0
220.14233	5.6
441.17200	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	441.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	13.0
61.98830	23.1
71.01355	14.6
71.62497	10.9
75.53896	4.5
96.96013	5.1
98.24318	4.7
99.00886	5.9
101.69983	4.5
121.10235	16.1
129.01929	7.3
130.85596	4.7
147.02980	37.8
151.00311	6.1
158.98445	7.5
164.89464	7.1
171.10219	44.9
181.32977	5.3
196.36400	4.8
229.76761	4.3
231.20941	7.0
243.28226	4.6
265.83112	5.5
275.17279	6.4
275.20096	79.2
293.21210	100.0
294.21576	8.6
301.57950	4.6
378.17523	21.8
441.16946	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01706	0.9
61.98828	1.5
70.39967	3.4
84.88756	0.7
96.96009	1.0
115.01620	0.7
129.84639	0.8
136.01909	1.0
151.00314	1.5
188.69879	0.7
194.92882	0.8
209.11853	1.1
289.18036	2.4
307.19073	4.8
313.46216	0.8
423.13953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3216
Annotation	oscr#33
Peak:m/z	Relative Intensity
51.36981	0.7
56.03168	0.7
57.03441	4.8
59.01373	25.3
61.98811	1.5
71.53777	0.8
79.95705	0.8
81.03464	0.8
91.10918	0.7
95.05021	1.7
96.96030	3.7
97.06583	17.3
123.08143	9.0
125.09711	93.1
126.10027	3.7
143.10719	1.5
143.40506	0.8
152.32098	0.8
169.08720	1.4
187.09734	26.0
188.10117	1.4
228.07906	0.8
236.74332	0.8
253.21483	0.9
258.85764	0.8
271.22733	29.4
272.23184	2.6
275.27216	0.8
379.32071	2.3
405.26285	3.5
423.31146	2.4
424.11734	0.8
441.25342	3.1
441.32101	100.0
441.37482	38.2
442.32416	11.4
442.37750	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	441.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03446	2.1
58.00581	3.5
59.01376	100.0
61.98813	1.8
69.03479	1.6
71.01378	57.6
71.31775	1.1
71.62403	2.6
72.99314	4.5
73.02952	4.6
79.95748	1.7
83.01393	3.8
83.05045	1.7
85.02939	16.4
87.00882	4.3
87.04511	2.1
89.02435	53.7
95.01405	4.3
96.96004	21.1
97.02942	2.7
98.95608	4.7
101.02436	42.2
109.02949	18.4
112.82191	1.2
113.02442	21.4
115.04020	4.5
117.03456	8.7
119.03496	26.0
119.04997	11.7
121.06662	1.4
122.03783	1.8
123.04530	3.1
131.03520	2.6
133.05052	8.1
133.06627	4.0
135.08112	2.1
137.06102	2.5
139.07661	2.3
143.03487	3.3
145.02948	30.2
148.05428	1.9
149.06100	3.3
152.01134	2.0
161.02470	3.4
161.04622	3.2
161.06096	5.5
163.03989	15.8
163.07664	2.1
173.06062	1.4
177.05585	2.9
179.05667	4.0
187.11272	2.2
199.11307	1.6
202.10027	4.6
204.11470	2.5
205.05083	6.2
205.12323	12.8
217.12299	11.3
223.69075	1.3
230.78717	1.5
235.06189	5.7
235.13347	6.6
249.13612	1.8
261.11295	12.3
265.07159	13.8
280.60474	1.4
295.10278	22.0
301.03323	1.5
325.09296	2.6
330.13095	3.8
331.14063	2.7
332.91812	1.2
361.08957	1.7
379.17773	4.2
381.17722	2.8
397.18610	23.4
398.19214	2.4
405.21097	2.5
423.09061	1.5
441.18024	87.1
442.18201	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	441.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65826	0.9
59.01095	1.1
59.01372	19.3
61.98792	0.8
71.01374	15.0
85.02937	2.9
89.02437	11.1
93.03426	5.5
95.01376	0.9
96.95988	2.0
101.02435	7.7
113.02428	5.5
117.03449	6.8
117.05545	1.5
119.03498	3.7
119.05011	64.6
120.05345	1.7
121.02943	9.1
123.04505	2.6
128.78522	0.9
131.05006	2.5
132.05827	6.2
133.02859	1.3
133.05051	2.1
133.06580	25.8
135.04489	2.9
143.04959	1.1
145.02933	54.5
146.03256	2.2
147.04495	2.4
149.06000	2.0
159.04427	2.0
161.02428	2.3
161.06055	62.0
162.03157	1.5
162.06494	1.8
163.03986	88.6
164.04294	3.0
173.04494	1.7
177.05551	35.7
178.05809	1.4
179.03455	3.0
187.03940	3.4
205.05020	65.1
206.05367	4.2
217.05006	1.3
235.06062	20.8
265.07120	38.4
295.10287	55.4
296.10703	3.1
325.09256	2.0
360.60727	1.1
398.55652	1.0
433.00766	0.9
441.13889	100.0
442.14340	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	441.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57633	1.7
52.61487	1.6
52.78453	1.5
59.01373	16.4
70.51369	5.8
71.01376	11.7
71.75380	1.4
85.02938	2.3
86.22703	1.6
87.98312	1.6
89.02441	8.9
93.03445	4.2
93.87875	1.6
96.96010	11.1
101.02447	8.1
102.23358	2.1
113.02420	6.6
117.03442	6.6
119.03513	3.1
119.05005	46.2
120.05315	2.1
121.02934	12.8
123.04494	1.9
132.05779	4.2
133.06573	14.6
137.02466	1.9
145.02933	44.3
146.03308	2.0
147.04453	4.8
159.04471	1.9
160.01587	2.4
161.02359	2.3
161.04750	3.4
161.06062	41.0
162.06364	2.4
163.03984	58.3
164.04276	2.9
167.00189	3.2
175.03957	5.3
177.05547	24.4
187.03912	1.7
205.05011	49.5
206.05252	2.6
235.06052	14.3
265.07101	23.7
266.07593	2.1
279.04984	3.5
285.04056	2.0
295.10324	30.7
317.47321	1.9
325.09000	2.7
344.79376	2.0
435.37415	1.9
441.13837	100.0
442.14267	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	441.176
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01864	2.7
57.03434	1.5
58.00595	3.3
59.01372	100.0
60.01702	1.3
66.06172	0.9
71.01373	61.3
71.61610	1.0
72.99319	3.9
73.02936	5.0
75.61591	1.0
83.01398	4.5
85.02943	11.5
87.00869	2.8
89.02435	59.5
93.03458	1.3
95.01403	6.0
95.01934	1.0
97.02955	1.8
98.19833	2.8
99.00845	1.1
99.04480	1.4
101.02431	32.6
101.03075	2.0
107.05035	2.1
109.02941	8.8
113.02439	25.3
117.03481	2.4
117.86653	1.1
118.04201	1.1
119.03494	24.6
119.04935	7.2
120.73637	1.0
121.02955	6.3
121.06593	1.2
122.03723	1.2
123.04543	1.1
124.05332	1.6
131.03510	3.3
133.06589	12.9
135.08237	1.3
136.05322	1.3
137.02489	1.1
137.06108	2.8
139.07640	15.4
143.03510	4.0
145.02936	10.4
149.04506	0.9
149.06088	2.7
151.07666	1.4
161.04579	9.3
161.06114	6.8
163.03970	10.4
163.07712	1.3
163.74577	1.0
169.08641	2.6
177.05615	3.4
179.05589	6.5
187.11298	1.9
204.11507	1.9
205.04973	7.2
205.12364	4.1
217.12375	3.6
235.06117	1.8
235.13417	4.0
237.11380	1.1
265.07156	3.6
295.10437	6.4
330.13141	24.8
331.13934	16.4
362.12018	1.2
368.76559	1.0
379.17691	1.3
397.18668	4.7
423.16733	2.2
441.17755	98.7
442.18243	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	440.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64233	0.4
59.01372	5.0
59.05160	0.4
61.98824	100.0
62.95805	0.4
65.68451	0.4
67.60766	0.4
71.01398	0.7
71.63565	0.6
72.23971	0.5
79.95799	0.4
87.04539	0.8
96.96018	1.3
97.02992	0.5
101.02431	0.4
114.08477	0.4
117.03458	2.9
119.04975	0.8
133.06598	1.6
145.02939	9.2
151.00314	0.6
163.03970	0.7
205.04964	0.5
307.08331	1.4
402.63019	0.4
441.14862	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05999	0.3
59.01373	5.7
59.83405	0.3
61.98824	100.0
69.25872	1.9
69.26298	1.2
71.01392	0.8
85.02966	0.5
87.04518	0.7
96.96001	1.2
98.19875	0.6
101.02425	0.3
102.89396	0.3
111.35916	0.3
111.69083	0.3
123.04453	1.5
137.02415	0.8
151.07584	0.3
153.05547	1.9
165.02002	0.4
185.73856	0.3
195.06610	1.6
242.75926	0.3
440.14713	0.4
441.19571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
57.85534	0.5
61.98822	100.0
69.63445	1.5
69.63870	2.3
81.03461	3.6
83.01397	0.7
125.02444	4.1
196.13087	0.6
215.87601	0.6
251.20128	1.0
333.24286	4.2
377.23267	43.0
378.23563	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	439.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19707	1.2
57.03434	1.3
58.72361	1.4
59.01376	7.7
65.14473	1.3
68.79809	1.1
70.13918	5.6
71.01369	5.1
73.02943	1.6
73.61674	1.2
74.61838	1.1
83.01393	1.5
85.02963	1.6
87.00877	1.5
89.02431	6.7
92.40230	1.2
95.01390	1.2
96.95996	8.8
101.02430	3.6
102.98608	1.8
105.97813	1.2
107.01330	1.6
109.02943	2.3
119.03510	2.6
125.02464	8.6
131.07123	1.4
133.05063	3.8
139.07764	1.4
150.03192	1.9
151.00389	6.9
151.01407	1.3
152.01108	2.9
153.00079	1.4
159.32275	1.1
161.02461	2.2
161.04553	1.2
165.05521	3.8
177.01939	2.0
178.99844	15.2
195.06595	5.1
241.14519	5.0
283.04977	1.9
285.03986	2.4
289.07077	1.4
302.04181	2.3
303.05014	2.5
311.72131	1.2
333.00766	1.6
379.16025	3.6
403.19666	18.3
404.20401	2.2
439.17361	100.0
440.17621	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	439.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	7.4
59.01366	21.2
61.98817	12.1
71.01391	12.6
71.61826	2.8
72.74857	2.0
72.99297	4.4
73.02952	5.8
75.00869	5.5
78.95860	2.0
83.01395	4.4
85.02962	5.0
89.02435	8.4
93.03445	4.4
94.10559	2.1
95.01416	2.3
95.05030	2.6
96.95998	82.8
96.96941	5.0
98.95574	2.3
99.00856	3.8
101.02422	10.1
104.05270	2.2
107.05003	2.2
109.02926	5.8
109.56487	2.0
111.00932	2.1
113.02446	6.6
118.98058	2.1
119.03513	2.6
121.02940	4.1
122.03728	8.9
123.04514	6.8
125.02430	46.1
125.03295	3.8
137.02432	21.7
139.04021	2.7
143.06419	1.8
149.02406	16.0
150.03204	51.2
151.04024	13.4
153.05591	2.6
161.02458	4.9
161.04536	4.0
163.00317	2.2
163.03992	3.1
164.01193	2.7
164.04735	5.0
165.01907	56.2
165.05547	87.3
166.02570	2.6
166.05885	4.1
167.03470	6.8
175.04054	3.0
176.57359	2.2
177.01860	8.7
177.27892	1.9
179.03496	17.2
180.04250	36.2
183.92941	2.0
187.03871	2.1
191.05548	3.7
195.06592	100.0
196.06964	5.1
203.07135	3.8
208.03787	2.5
215.93900	2.1
223.06110	7.3
225.07628	20.5
243.02881	3.1
243.08763	4.2
273.07626	2.2
277.12985	5.0
287.05557	2.9
289.07205	10.0
295.10327	4.1
301.07120	5.1
303.05084	2.1
315.08762	4.1
316.09436	3.8
331.11832	9.6
361.09247	2.9
391.13907	43.4
392.14392	5.0
403.12228	6.5
403.16705	5.0
439.17599	27.3
440.18024	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52697	0.6
59.01374	6.9
61.98812	1.4
66.28803	0.8
69.31547	7.3
71.01371	3.9
72.99315	1.1
73.02930	1.7
79.95718	0.9
85.02940	1.2
89.02436	5.6
93.03445	2.2
95.01375	1.0
96.96000	16.5
98.20580	1.5
101.02422	2.2
106.59859	0.7
108.02168	0.9
109.02938	11.4
113.02434	2.4
119.03500	2.0
121.02946	2.9
122.03741	7.0
123.04577	0.8
125.02446	3.3
126.07078	0.8
132.63713	0.7
133.02879	0.8
133.05025	0.9
134.14867	0.7
137.02423	4.7
141.81357	0.8
149.02428	19.7
150.03212	51.7
151.00374	0.9
151.03748	2.5
161.02399	0.8
161.04489	0.9
164.04767	5.9
165.01915	27.7
165.05554	52.2
166.02303	1.0
166.05916	2.1
177.26979	0.7
178.99866	1.0
179.03535	1.3
179.05511	0.9
180.04268	24.1
181.04778	1.3
191.05583	1.5
195.06604	100.0
196.06961	4.1
221.11856	0.8
243.08708	7.6
293.08804	2.3
301.07126	2.7
316.09326	1.1
331.11874	7.3
385.18463	0.9
391.13919	15.3
392.14648	1.2
403.12241	4.0
403.19650	0.8
408.59509	0.8
439.17181	10.3
440.17432	1.3
461.52658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52697	0.6
59.01374	6.9
61.98812	1.4
66.28803	0.8
69.31547	7.3
71.01371	3.9
72.99315	1.1
73.02930	1.7
79.95718	0.9
85.02940	1.2
89.02436	5.6
93.03445	2.2
95.01375	1.0
96.96000	16.5
98.20580	1.5
101.02422	2.2
106.59859	0.7
108.02168	0.9
109.02938	11.4
113.02434	2.4
119.03500	2.0
121.02946	2.9
122.03741	7.0
123.04577	0.8
125.02446	3.3
126.07078	0.8
132.63713	0.7
133.02879	0.8
133.05025	0.9
134.14867	0.7
137.02423	4.7
141.81357	0.8
149.02428	19.7
150.03212	51.7
151.00374	0.9
151.03748	2.5
161.02399	0.8
161.04489	0.9
164.04767	5.9
165.01915	27.7
165.05554	52.2
166.02303	1.0
166.05916	2.1
177.26979	0.7
178.99866	1.0
179.03535	1.3
179.05511	0.9
180.04268	24.1
181.04778	1.3
191.05583	1.5
195.06604	100.0
196.06961	4.1
221.11856	0.8
243.08708	7.6
293.08804	2.3
301.07126	2.7
316.09326	1.1
331.11874	7.3
385.18463	0.9
391.13919	15.3
392.14648	1.2
403.12241	4.0
403.19650	0.8
408.59509	0.8
439.17181	10.3
440.17432	1.3
461.52658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
56.99379	0.2
57.03440	0.3
59.01136	0.2
59.01379	3.0
61.98808	1.1
65.24251	0.2
71.01373	3.1
73.02934	1.1
78.45969	0.2
79.95731	22.5
80.96501	0.5
83.01374	0.7
83.04973	0.4
85.02940	1.8
89.02439	0.8
93.03434	0.9
95.01359	0.5
95.94648	0.5
95.95226	5.9
96.95999	38.9
99.00854	0.5
101.02423	2.1
105.03471	0.3
107.05062	0.4
108.02177	0.3
109.02957	0.7
110.97563	2.3
111.04513	3.4
113.02433	0.9
116.73118	0.2
117.03468	1.4
118.98146	0.2
121.02949	0.9
123.04494	0.5
125.02449	0.6
129.01863	0.5
131.07146	0.5
132.02147	1.3
133.02942	27.7
134.03433	0.9
135.04514	10.6
137.02455	2.2
139.04024	0.3
141.95744	0.5
145.02919	1.5
148.99072	0.3
149.99898	0.8
152.98643	0.6
155.03473	0.5
159.03011	0.3
160.05276	0.8
161.02425	100.0
162.01477	0.4
162.02744	3.5
163.04016	0.7
164.04759	0.3
175.07634	1.1
177.01894	0.7
177.05507	0.5
179.03456	6.7
191.05655	0.3
259.02826	1.0
323.07730	0.4
329.13986	1.0
424.08154	1.3
439.10580	34.0
439.16110	56.2
440.10870	3.9
440.16470	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	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	10.9
61.98829	4.2
67.36408	0.7
69.57893	4.1
70.16691	0.6
71.01375	8.9
71.05013	1.3
73.02941	1.7
79.95737	0.8
80.78952	0.6
80.91698	0.7
81.95293	1.0
83.01378	1.0
85.02932	3.6
85.06568	4.1
87.00840	1.4
89.02442	5.2
93.03446	1.6
96.96000	12.8
98.95582	11.8
98.96410	1.8
101.02433	7.2
101.06087	2.7
113.02425	2.9
113.06093	0.7
115.07655	1.1
117.03454	8.4
119.03506	2.0
119.05023	8.0
120.05352	0.6
121.02975	0.8
121.86229	0.6
127.07639	0.7
129.05566	1.8
131.05003	1.2
131.07123	16.6
131.08118	0.9
132.02115	1.3
133.02934	26.3
133.06540	1.1
134.03265	0.7
135.04515	7.6
137.02434	1.7
145.02934	33.7
146.03284	4.8
147.03525	1.3
147.04517	21.3
147.06558	7.0
148.04884	0.6
161.02422	92.3
161.06004	8.8
162.02791	3.0
163.03993	8.7
173.08167	0.7
177.05547	1.4
179.03442	4.1
182.39398	0.6
189.05540	1.5
205.05054	1.0
265.06912	1.1
291.10834	1.0
293.12384	35.7
294.12698	1.5
439.09207	7.9
439.15933	100.0
440.16364	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	439.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	0.7
59.01374	19.7
60.63597	0.6
61.98804	2.0
62.63254	0.6
66.33428	0.6
66.63921	0.6
71.01373	12.1
73.02943	1.5
83.01385	1.7
85.02922	2.7
85.06085	0.6
85.06586	10.5
85.58959	0.6
87.00865	0.9
89.02441	12.7
93.03450	3.0
95.01346	1.0
96.96008	6.7
99.00837	0.8
99.86515	0.7
101.02435	9.5
108.25301	0.6
113.02448	4.8
113.06058	2.3
115.07613	2.0
117.03456	16.9
118.03757	0.8
119.03596	4.3
119.05013	18.8
120.05354	1.1
121.02930	1.4
125.02437	1.4
127.07610	1.2
131.07129	51.3
132.07448	2.0
133.02928	1.1
133.06525	2.2
135.04448	0.7
137.02486	4.0
143.03488	0.7
145.02939	72.6
146.03282	3.8
147.04465	1.1
151.03963	0.7
152.12544	0.6
160.01581	1.0
160.58092	0.6
161.02357	2.5
161.06046	4.5
163.04001	21.6
164.04286	0.8
173.08150	1.1
175.03964	1.5
177.05518	1.7
192.00613	2.6
193.01387	6.9
205.04974	2.7
229.52748	0.7
235.06075	0.9
265.07175	2.2
293.12390	100.0
294.12778	5.5
307.08264	1.3
358.78705	0.7
429.30939	0.7
439.16046	51.6
440.16483	5.6
451.57034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1241
Annotation	Poliothyrsin
Peak:m/z	Relative Intensity
57.70922	0.2
59.01371	2.3
65.03967	0.4
66.50842	0.2
69.52177	1.6
71.01370	1.2
73.02969	0.3
85.02962	0.4
89.02422	0.8
90.44055	0.2
91.99815	0.2
93.03450	39.2
94.03767	1.1
96.96008	0.9
101.02423	0.6
107.05000	0.3
113.02440	0.6
117.03459	1.3
119.03509	0.4
119.05025	1.3
121.02946	1.1
125.02422	0.2
131.07158	1.5
131.66783	0.2
134.03697	0.2
137.02431	100.0
138.02788	3.2
144.04510	0.3
145.02948	7.6
146.03246	0.5
149.02391	0.3
151.03993	2.8
157.05005	0.6
161.02473	0.4
161.06065	0.4
163.04004	1.3
179.03491	3.8
185.11797	0.2
193.01277	0.4
195.76726	0.2
205.05063	0.4
209.04527	2.1
218.26921	0.2
239.05626	1.6
293.12320	2.5
301.09332	1.3
311.61545	0.3
319.10104	0.4
439.12177	22.6
440.12637	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	439.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01539	0.6
59.01374	2.3
61.55643	0.7
69.89452	0.7
70.74465	1.7
71.01369	2.2
79.95735	2.9
83.01405	0.7
87.00911	0.9
89.02444	1.7
91.16932	0.6
92.26862	0.7
93.03439	2.4
95.01376	0.8
96.96001	15.4
96.96576	1.2
101.02451	1.6
121.02948	2.5
121.98264	0.7
122.03744	7.7
125.02436	1.1
133.02954	1.7
137.02438	3.6
149.02440	11.6
150.03218	60.9
151.03619	2.5
161.02443	2.5
164.04811	2.4
165.01923	22.4
165.05554	63.8
166.05907	3.4
177.84090	0.8
178.99818	0.8
180.04262	21.2
181.04790	1.1
188.41339	0.8
195.06613	100.0
196.06966	4.0
243.08690	2.2
278.10345	1.4
292.85410	0.7
303.05063	0.8
391.14044	1.3
401.14499	2.4
439.11008	6.7
439.17081	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	439.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03451	0.4
58.21451	0.2
59.01377	2.4
61.98820	0.7
66.43280	0.2
69.41572	1.4
69.41977	0.3
71.01374	3.7
73.02946	1.1
75.35778	0.2
79.95757	1.5
83.01385	0.9
85.02937	2.2
89.02435	0.4
93.03443	0.3
95.01383	0.3
95.95235	0.6
96.95998	6.3
99.00873	0.6
101.02423	3.0
105.03425	0.5
109.02930	0.2
109.46754	0.2
110.97540	0.3
113.02460	1.3
117.03461	2.1
117.04275	0.3
119.05003	0.4
121.02930	0.3
125.02457	0.4
132.02170	1.4
133.02939	27.4
134.03618	0.9
135.04510	6.3
137.02472	1.0
145.02939	3.2
146.03400	0.2
147.04497	0.3
147.08913	0.2
149.02498	0.2
160.01688	1.0
161.02420	100.0
162.02762	4.2
163.03978	0.6
175.03955	0.8
179.03485	3.6
235.06093	0.3
255.83908	0.2
265.07236	0.3
295.13000	0.3
301.39230	0.2
421.15106	0.2
439.10843	4.0
439.15994	75.5
440.10507	0.4
440.16367	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	439.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.5
61.98804	0.5
69.58447	3.1
71.01369	2.2
73.02946	0.4
76.31428	0.5
79.95728	57.0
80.96493	0.7
83.05010	1.8
85.02935	1.3
90.13555	0.4
93.03452	1.6
95.95220	15.2
96.96000	100.0
101.02434	2.2
108.02098	0.8
109.02915	2.1
109.96763	0.5
110.97568	5.2
111.04506	12.5
111.05291	0.7
113.02407	0.9
121.02914	1.3
122.03769	0.7
123.04498	0.9
132.02132	0.7
132.88898	0.5
133.02934	12.9
135.04517	5.4
137.02437	3.4
139.03969	0.8
141.95717	1.8
145.02901	0.6
149.99919	1.8
152.98598	1.0
155.03465	1.6
160.05232	1.2
161.02425	49.7
161.04573	1.8
162.02733	1.5
163.03923	0.7
164.98608	0.6
175.07571	0.9
177.05493	0.9
178.06343	0.5
179.03503	3.3
205.78368	0.5
259.02701	2.9
273.04254	0.7
279.01089	0.5
329.13855	1.3
424.08261	3.1
439.10516	93.9
439.16074	25.2
440.10846	9.1
440.16428	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15576	0.3
59.01374	0.7
69.58086	0.7
69.58508	1.1
71.01373	0.5
79.95733	28.7
91.36007	0.2
93.03451	2.6
95.95257	0.9
96.96004	100.0
108.02184	0.3
109.02962	0.4
109.96788	0.5
110.97577	1.9
111.44886	0.3
136.01640	1.4
136.99112	0.4
137.02440	5.7
141.95766	2.0
145.02907	0.5
145.69791	0.2
151.03978	1.0
167.00197	0.8
179.03485	4.4
180.03619	0.3
189.05600	0.3
209.04503	0.8
239.05554	2.5
270.53943	0.3
283.09708	0.3
295.06555	0.3
313.10776	1.2
319.10028	0.6
329.10147	0.4
344.12534	0.7
345.06076	0.3
377.26532	0.3
424.08362	1.0
439.10638	64.3
440.10968	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	439.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74365	0.8
55.86459	0.7
59.01370	8.0
62.72287	0.9
69.84757	1.7
69.85159	2.6
71.01383	6.0
72.99323	0.8
73.02975	1.0
79.95728	15.1
85.02937	1.5
85.39616	1.0
89.02441	2.0
92.02685	1.4
93.03446	44.7
94.03803	1.2
95.01372	1.7
96.96001	46.3
98.19972	1.9
101.02448	2.1
107.05036	2.4
108.02153	1.8
113.02455	4.1
119.03503	1.0
121.02938	1.0
135.04517	3.8
136.01642	25.1
137.02428	100.0
138.02802	3.5
141.95767	0.8
149.02448	3.1
151.03983	9.9
151.05055	0.9
152.04379	0.9
179.03470	81.3
180.03822	3.3
209.04523	15.2
229.79988	0.9
233.04587	1.0
239.05577	49.8
240.05997	2.3
241.00105	0.8
299.07642	4.1
319.10281	11.2
326.11649	0.8
341.16544	0.8
373.73196	0.8
395.13770	1.6
424.08850	1.1
439.12143	78.9
440.12363	8.0
461.17807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51926	0.5
57.03445	0.8
58.83159	0.5
59.01380	3.9
61.98825	4.9
71.01374	1.9
73.02917	0.4
75.00867	0.5
78.54030	0.4
78.95898	2.9
79.31196	0.6
79.95740	2.5
85.02956	0.9
87.00867	0.6
89.02441	1.3
96.96005	100.0
96.96898	5.8
101.02429	0.8
108.95707	0.4
109.02969	0.7
111.00900	0.7
113.02419	0.9
119.03436	0.5
125.02452	4.3
135.00883	0.5
137.02417	1.6
139.00302	0.8
139.03981	0.9
140.14226	0.5
150.03223	1.6
151.04027	1.1
153.01924	1.3
153.05594	1.0
160.20728	0.5
161.02440	0.6
163.00348	7.1
165.01917	1.4
165.05528	1.6
177.01900	1.0
178.02695	13.3
179.03343	1.0
180.04277	0.8
181.01433	4.5
183.06606	3.9
191.05598	0.5
193.05035	12.7
194.05400	0.6
195.06619	1.4
196.03763	1.6
203.06908	0.5
211.06102	17.9
212.06424	0.7
215.03290	0.5
225.07616	0.7
226.04742	2.7
241.07159	54.3
242.07431	2.8
247.66760	0.5
289.07184	0.7
337.46719	0.5
379.15924	0.6
409.14313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35554	15.3
51.78191	17.0
56.55684	14.3
58.77342	14.9
59.01378	100.0
61.98824	50.0
65.46236	16.4
67.85551	16.7
69.24609	92.1
69.25034	72.4
71.01368	31.2
72.77680	15.7
83.05032	29.3
93.03458	30.1
101.02444	17.5
113.02428	18.4
123.04503	31.1
160.01651	55.9
169.05106	18.6
175.04019	45.9
187.06085	28.8
193.05019	16.8
209.11861	30.5
261.53677	15.8
305.19653	35.8
408.27600	17.3
437.17780	40.8
437.23267	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	437.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
57.03433	5.3
58.67654	3.8
59.01375	87.9
61.98826	18.0
68.89464	3.8
70.53127	7.0
71.01379	65.8
73.02946	35.1
78.95902	8.2
83.01390	16.3
83.22646	4.2
85.02948	28.1
89.02444	13.4
95.01377	5.3
96.96012	8.1
99.00877	12.4
101.02435	63.8
111.00882	6.6
113.02450	25.2
123.67042	5.0
131.03513	4.6
137.02492	6.0
152.99532	9.7
161.02475	6.3
161.04549	14.9
184.50311	4.1
209.11809	33.0
305.19629	77.2
306.20117	5.4
377.25497	7.5
377.82843	4.8
437.16446	8.2
437.23999	100.0
438.24460	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	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01706	0.9
61.93786	0.4
61.98835	0.7
70.63681	0.8
71.01367	2.0
73.02972	0.5
83.01386	0.4
85.02959	1.4
87.04503	44.1
88.04854	0.7
89.02438	0.4
96.96052	0.4
101.02451	1.5
110.58887	0.4
113.02489	0.9
117.03458	0.4
142.19035	0.4
145.02925	2.4
151.70602	0.4
161.04582	0.9
184.28499	0.4
190.03891	0.4
377.21915	1.6
430.22867	0.4
437.08804	0.7
437.22427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01698	0.9
70.93639	0.9
71.01370	2.5
73.02937	1.0
76.90028	0.4
82.50169	0.5
83.01374	0.5
85.02956	1.4
87.04509	44.0
88.04845	0.8
93.28748	0.4
96.96006	0.6
101.02459	1.4
113.02437	0.6
125.02431	0.6
145.02959	0.9
161.04605	0.7
289.16653	1.0
307.17764	1.7
377.21832	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	437.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45419	0.5
52.21928	0.4
57.03180	0.6
57.03444	9.2
59.01375	1.6
61.98825	0.9
71.62714	0.7
81.03440	1.7
83.01382	7.0
90.86491	0.5
93.03480	0.5
96.95998	1.2
107.01363	0.8
121.02946	1.6
123.04552	0.6
125.02435	100.0
126.02786	1.9
137.02438	0.9
149.02420	1.6
151.00395	0.9
167.03470	1.3
171.10226	1.1
194.60580	0.4
231.06598	0.6
269.21378	0.9
287.05362	0.4
311.22379	2.6
337.10806	1.2
419.24973	0.6
437.25446	13.4
438.25760	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84303	0.2
55.99205	0.2
61.39152	0.2
64.20666	0.2
65.69965	0.2
67.47775	0.2
68.35863	0.2
70.34822	0.2
70.61990	0.2
71.01399	0.3
78.95896	3.7
79.95734	2.2
96.96005	100.0
96.96898	7.6
122.11377	0.2
127.05170	0.2
165.07672	0.3
175.18443	0.3
282.20874	0.2
304.60202	0.2
399.78043	0.2
439.08325	0.4
440.10809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
62.81476	0.2
71.01373	0.8
71.61414	0.3
72.99291	0.3
78.95899	10.0
79.95729	1.9
85.02972	0.4
89.02431	0.3
96.96005	100.0
96.96926	21.2
97.95895	0.3
98.95526	0.2
99.00854	0.4
112.98769	0.4
115.00354	0.4
125.02431	0.4
142.99818	0.4
165.90750	0.2
184.18079	0.2
209.65193	0.2
217.00243	0.6
263.05789	0.4
341.10825	0.3
405.61789	0.2
439.08823	1.5
440.10565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46828	0.6
58.47680	0.6
59.01362	2.0
69.97990	0.6
70.34724	2.2
70.59966	0.7
71.01374	2.1
72.53126	0.6
73.91444	0.6
78.95897	1.0
79.95729	1.9
89.02451	0.8
89.34386	0.6
96.96003	100.0
96.96990	2.6
97.70807	0.6
99.00890	0.7
112.98770	1.2
118.96568	0.7
142.99835	1.3
145.01392	0.8
173.00858	0.8
230.05482	0.7
242.22264	0.7
263.05869	1.8
280.33838	0.7
439.09045	1.9
440.10571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
57.03444	3.7
59.01379	3.8
61.98820	1.0
69.03453	6.9
69.50051	3.4
71.01373	17.4
71.05015	1.4
73.02946	3.9
79.95728	2.1
81.03467	1.2
83.01380	2.0
85.02939	11.8
87.00861	0.8
89.02441	1.9
93.03461	0.8
95.01379	5.7
96.95999	100.0
97.02911	0.7
99.00861	2.3
100.35751	0.5
101.02433	10.2
108.02167	22.6
109.02942	55.8
110.03262	0.9
111.08141	0.9
113.02444	8.6
113.06103	0.5
117.03474	0.9
121.02913	0.7
123.00880	2.8
124.15191	0.6
125.02389	1.3
133.41530	0.5
139.11270	19.8
139.27246	0.5
140.11588	0.9
143.03490	1.1
145.02946	2.5
151.03979	1.1
159.02936	1.7
161.04536	23.8
183.10236	55.0
184.10555	2.5
189.29079	0.5
207.96353	0.6
229.08655	0.7
271.08066	2.5
297.07791	0.6
395.17328	0.6
437.08945	11.8
437.18439	2.6
438.09412	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	437.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74144	0.2
55.01872	0.2
58.49313	0.2
59.01370	0.4
61.98824	1.8
69.03484	0.2
69.67826	0.7
71.01368	1.6
73.02942	0.6
79.95730	6.6
80.96514	0.2
83.01392	0.3
85.02935	0.7
89.02462	0.2
93.03444	0.3
96.96001	100.0
97.95954	0.2
101.02441	0.6
108.02192	0.2
109.02966	0.3
110.97552	0.6
113.02453	0.3
117.03452	8.0
119.05018	2.2
120.05408	0.2
121.03025	0.3
137.02448	1.1
145.02945	31.6
146.03284	1.4
147.06610	0.2
161.04497	0.2
163.03992	2.4
175.04042	0.2
222.05518	0.2
268.07266	0.2
269.08331	0.4
279.06573	0.2
297.07605	1.6
298.08176	0.3
307.08319	0.3
312.09924	1.1
313.10651	0.3
327.12271	0.3
343.07181	0.3
437.09082	31.2
437.14603	15.1
438.09427	3.3
438.15033	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	437.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01525	0.3
59.01369	4.2
61.98829	0.5
65.05680	0.3
66.54120	0.3
69.80516	1.0
69.80949	1.1
71.01375	6.7
71.05016	0.4
73.02942	1.6
75.00868	0.5
79.95714	0.6
83.01404	0.5
85.02936	2.8
87.00878	0.5
89.02422	1.8
91.05524	3.1
93.03448	0.4
95.01383	0.7
96.96001	20.0
98.86794	0.3
99.00899	0.7
101.02448	2.9
109.02930	0.5
113.02428	2.7
115.05534	1.6
117.03456	32.3
118.03790	1.1
119.03568	0.4
119.05009	7.8
121.02953	0.5
131.04987	1.7
135.04483	3.0
137.02435	0.4
143.10803	0.6
145.02936	100.0
146.03273	4.3
147.04433	0.6
149.06065	6.8
159.04500	11.8
161.04498	0.9
161.05949	0.5
163.03987	7.6
177.05553	3.6
189.05502	1.8
190.05931	0.4
265.07080	0.7
293.08344	0.3
307.08127	1.0
319.10303	1.8
437.09457	3.3
437.14380	59.2
438.14728	6.4
438.29608	0.3
458.57510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1808
Annotation	Phlebotrichin
Peak:m/z	Relative Intensity
54.94746	0.1
55.52047	0.2
59.01363	0.4
61.98824	0.7
69.20314	0.1
70.16878	0.3
71.01360	0.3
81.03460	0.4
82.15464	0.2
91.01878	0.2
93.03468	0.3
96.96007	1.2
108.02168	1.9
109.02942	100.0
110.03280	2.9
117.03438	0.5
123.04456	0.2
139.11221	0.2
145.02928	2.3
151.03911	0.2
163.03961	0.2
177.01883	0.4
183.10228	0.6
199.12407	0.2
253.07057	0.3
271.08173	0.3
276.84073	0.2
307.08237	0.2
369.06619	0.2
401.12265	1.0
437.18152	1.0
437.23575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98816	0.7
67.91899	0.3
69.48836	2.5
70.06370	0.3
71.01386	1.9
73.02950	0.4
75.73593	0.3
79.95731	6.9
83.01388	0.4
85.02943	1.1
96.96004	100.0
101.02424	1.0
110.97597	0.7
113.02399	0.5
117.03455	10.7
117.04253	0.7
118.03810	0.4
119.05005	3.8
119.09018	0.3
121.02900	0.4
136.00854	0.4
137.02463	0.6
145.02940	45.5
146.03278	1.4
147.04529	0.4
163.03996	3.9
165.91525	0.3
175.04034	0.4
189.01865	0.4
219.02188	0.4
269.08353	0.4
279.06555	0.6
297.07635	1.5
298.08231	0.4
307.08447	0.6
312.10019	1.2
342.07135	0.6
343.07169	1.3
374.77893	0.4
437.09045	32.6
437.14572	20.5
438.09308	3.1
438.14981	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	437.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98816	0.7
67.91899	0.3
69.48836	2.5
70.06370	0.3
71.01386	1.9
73.02950	0.4
75.73593	0.3
79.95731	6.9
83.01388	0.4
85.02943	1.1
96.96004	100.0
101.02424	1.0
110.97597	0.7
113.02399	0.5
117.03455	10.7
117.04253	0.7
118.03810	0.4
119.05005	3.8
119.09018	0.3
121.02900	0.4
136.00854	0.4
137.02463	0.6
145.02940	45.5
146.03278	1.4
147.04529	0.4
163.03996	3.9
165.91525	0.3
175.04034	0.4
189.01865	0.4
219.02188	0.4
269.08353	0.4
279.06555	0.6
297.07635	1.5
298.08231	0.4
307.08447	0.6
312.10019	1.2
342.07135	0.6
343.07169	1.3
374.77893	0.4
437.09045	32.6
437.14572	20.5
438.09308	3.1
438.14981	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	437.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80000	1.2
57.03448	7.8
59.01375	11.4
61.02140	0.9
61.98827	8.8
70.80273	2.1
70.80603	1.2
71.01374	9.8
72.99306	1.7
73.02934	1.9
75.00880	2.3
79.95741	1.3
81.03441	5.4
83.01379	5.8
85.02951	3.5
87.00855	2.4
88.98811	3.0
89.02439	7.2
93.03446	3.7
95.01388	3.4
95.05015	3.6
96.96004	69.5
97.02953	4.2
98.95602	8.8
98.96236	1.4
99.00842	1.4
99.04527	2.1
99.65641	1.0
101.02433	4.4
107.05048	2.2
109.02943	15.1
111.04514	4.7
113.02460	2.8
119.03548	1.7
119.05080	1.1
121.02924	5.4
123.04524	8.9
125.02437	84.2
126.02791	2.6
133.02925	1.5
135.04489	4.9
137.02429	18.1
139.03990	4.5
147.04613	1.3
149.02423	12.8
151.04015	11.8
159.04424	1.6
161.02432	2.9
161.04578	2.2
161.06067	1.2
163.00342	4.1
163.03937	1.9
164.01134	4.3
165.01930	10.1
165.05516	1.9
167.03468	14.2
171.06683	1.6
175.04008	2.1
177.01910	19.3
178.02507	1.0
179.03479	17.7
181.05017	1.8
187.04070	1.9
189.01898	1.5
190.02750	1.7
191.03453	2.2
193.01376	1.5
193.05026	1.5
195.02908	1.6
197.04533	100.0
198.04854	3.9
203.03510	1.6
203.07156	3.6
205.05049	1.9
207.02953	2.3
209.04509	7.4
225.05513	1.1
227.03423	1.1
227.05469	1.6
233.04340	1.2
234.30637	1.0
241.00067	1.4
243.00040	2.5
245.08154	3.3
251.05534	1.8
269.06622	3.8
271.06064	1.4
275.05634	3.6
287.07712	4.2
289.07159	24.0
290.07663	1.6
299.05746	2.9
311.05621	2.9
329.06622	18.2
330.06570	1.2
341.06464	1.3
347.07571	1.2
349.05853	1.2
360.11215	1.2
437.05814	5.3
437.11359	2.5
437.15903	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	437.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.5
61.98829	0.2
64.92471	0.2
69.70784	0.9
75.10418	0.2
79.95734	6.8
86.81176	0.2
96.96000	100.0
97.95922	0.2
98.19889	0.4
108.80727	0.2
110.97570	0.4
121.02936	0.3
136.01654	0.2
137.02431	0.7
151.03955	0.5
163.03925	0.2
175.04018	0.4
223.39366	0.2
245.00948	0.2
251.07028	0.2
267.06607	0.2
269.08167	0.3
279.06577	0.4
297.07602	1.4
298.08145	0.2
309.11249	0.2
312.10101	1.0
313.10614	0.3
327.12421	0.3
437.09048	34.2
438.09344	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	437.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01376	5.8
61.98823	1.7
64.21736	0.3
67.20609	0.3
69.03429	0.4
69.42645	0.9
69.43056	1.6
71.01370	4.4
72.97556	0.3
72.99316	0.8
73.02934	1.0
75.00856	0.5
79.95734	4.4
80.96523	2.1
82.95412	0.4
83.01389	0.6
85.02944	1.7
87.00862	1.7
87.04491	0.4
88.98792	0.7
89.02441	2.1
93.03448	0.7
95.01397	0.4
95.05015	1.1
95.95225	1.1
96.96004	100.0
97.02919	0.3
98.20637	0.6
98.95634	0.4
99.00863	0.5
99.04530	0.5
101.02422	1.9
109.02946	0.9
110.97540	0.5
113.02424	1.2
113.06082	0.4
119.03487	0.5
120.99594	0.3
121.02932	0.6
122.97588	0.4
123.00802	0.4
123.04504	1.0
125.02435	14.6
126.02747	0.6
131.03458	0.3
133.05074	1.6
134.05389	0.3
135.04472	0.4
135.05501	0.7
138.97072	5.5
138.98672	0.4
139.03949	0.7
143.03546	0.5
146.08209	0.4
149.02422	2.5
150.03279	0.3
150.97035	1.2
151.00333	0.8
151.03989	0.5
157.04965	0.4
161.04549	0.7
163.04019	0.4
164.98581	0.7
165.01912	0.7
167.03429	0.7
168.98073	0.5
177.05554	0.4
178.02748	0.4
180.98032	0.6
185.06155	0.4
185.96819	0.4
188.04796	0.6
189.05437	0.5
191.03374	0.9
191.05605	0.5
193.05046	0.8
195.06567	1.5
222.99152	1.3
225.00633	0.5
231.06560	1.1
241.00208	17.1
242.00476	0.4
275.05594	8.9
276.05881	0.6
298.12250	0.3
299.05554	2.5
300.05923	0.5
373.19751	0.4
377.18170	0.5
437.07446	56.2
437.15778	7.8
438.07874	5.8
438.16199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26111	0.4
59.01374	4.1
61.98824	100.0
63.65919	0.4
65.00757	0.4
67.98154	0.5
71.01370	2.0
71.61997	0.5
85.02951	0.8
87.00865	1.1
89.02450	1.5
94.92495	0.5
96.96001	3.7
101.02464	0.8
109.42449	0.4
109.61591	0.4
113.02449	0.7
119.03500	0.5
125.02436	1.6
133.05066	1.1
137.02492	0.7
160.67569	0.4
165.05742	0.5
178.02713	1.5
179.03490	0.6
179.05750	0.5
193.05045	5.8
194.05371	0.6
197.04648	1.1
289.07227	0.6
335.23413	0.4
354.51971	0.4
367.48740	0.4
373.11420	2.1
436.06528	0.4
436.15079	1.0
437.16556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
61.01795	0.5
61.98824	100.0
69.26364	4.1
71.01381	0.8
90.76521	0.4
96.96028	1.6
98.20625	1.0
100.73398	0.4
101.02428	0.5
145.02988	0.5
161.02400	0.6
239.63324	0.4
307.89127	0.4
376.23212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95893	0.2
55.95906	0.2
57.03442	8.4
59.01369	0.6
61.98817	0.6
65.00316	0.5
68.08196	0.2
71.19402	0.4
75.06976	0.2
75.50340	0.2
78.95893	1.3
81.03449	1.8
83.01380	8.2
84.01683	0.3
107.01395	0.5
121.02946	0.8
123.04505	0.9
125.02435	100.0
126.02760	2.3
126.17318	0.2
149.02440	1.0
151.00352	0.7
152.99568	1.4
153.99872	0.5
155.00011	0.8
166.39174	0.2
167.03479	1.3
233.17632	0.2
267.23209	0.2
309.24304	2.2
417.26428	0.4
435.27563	12.3
436.27762	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	435.2745
Annotation	Erigerol
Peak:m/z	Relative Intensity
53.12883	0.2
57.03428	0.3
59.01376	0.5
61.42614	0.2
63.02378	0.5
65.00314	3.1
67.01878	1.0
68.99807	3.8
71.61460	0.3
75.88972	0.2
81.03455	1.1
83.01376	1.4
89.00317	0.3
92.99799	0.2
107.01414	0.4
109.02932	0.4
111.00879	0.6
122.03728	0.6
124.01632	0.4
125.02412	1.0
135.00871	0.7
148.01669	0.5
151.00372	1.0
153.01924	2.6
162.03181	0.3
176.98239	0.8
178.99808	3.4
190.02698	1.0
192.00583	1.6
193.01370	0.8
281.24854	0.5
293.75546	0.3
295.26529	0.4
297.27875	0.4
305.24808	0.5
319.26160	0.3
321.28012	0.6
323.25793	1.6
345.27768	0.3
347.25638	0.5
363.28979	0.8
365.27066	0.3
389.26999	1.5
390.21396	0.2
390.27289	0.3
407.27948	1.6
408.27893	0.3
415.24979	0.3
417.26315	1.2
433.25894	9.2
434.26379	1.1
435.27438	100.0
436.27835	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	435.3109
Annotation	Stolonic acid B
Peak:m/z	Relative Intensity
56.11177	0.2
57.03437	2.0
57.04854	0.2
59.01359	0.7
61.98827	0.2
63.02392	0.3
65.00315	2.0
69.42458	0.7
69.42884	0.9
70.53664	0.2
78.95889	0.5
80.02648	0.5
81.03443	10.8
82.03793	0.2
83.01375	2.0
83.05014	0.6
95.04997	0.2
96.95995	0.3
96.96960	0.2
107.01374	1.4
108.02165	0.2
109.02941	0.3
121.02938	0.5
122.03725	4.5
123.04516	0.2
125.02431	8.7
126.02801	0.2
135.04488	0.4
136.05304	0.2
139.03999	0.2
143.12724	0.2
151.00394	1.6
152.99561	0.8
162.03191	0.3
223.53603	0.2
281.28235	0.3
309.28152	0.5
323.29572	0.2
325.31223	0.3
345.31683	0.3
347.29480	0.8
349.31018	2.3
351.28934	1.1
363.32553	0.5
373.31046	1.7
374.31671	0.4
391.32120	11.7
392.32550	1.6
410.25104	0.2
417.29825	0.4
435.31107	100.0
436.31445	13.5
436.37573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.27213	6.2
61.98818	32.4
68.99532	8.1
69.30592	63.5
71.01371	12.0
71.51922	6.5
82.79365	7.6
85.02958	9.8
96.95999	10.8
98.19888	11.6
101.02387	8.9
125.02441	9.1
167.03476	6.9
174.57379	7.5
199.09792	9.7
283.09790	7.9
287.12921	12.9
332.30106	6.8
339.93784	7.0
435.21967	24.5
435.29373	8.6
440.98715	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	435.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16003	0.4
52.70191	0.4
53.40686	0.4
53.50677	0.4
55.01880	1.3
57.03448	0.9
57.49651	0.4
58.00592	2.6
59.01374	80.1
60.01711	0.8
61.98827	27.2
69.03456	0.8
69.43285	2.5
71.01377	55.8
72.01723	0.9
72.99300	2.4
73.02943	17.1
75.00855	0.4
78.61651	0.4
81.97762	0.4
83.01389	1.7
85.02943	7.8
85.06632	0.4
87.00872	1.8
87.18279	0.4
89.02438	100.0
90.02776	1.3
95.01391	1.6
97.02947	1.7
99.00874	27.1
101.02435	39.2
102.02770	0.6
108.43584	0.4
109.02984	0.5
113.02439	13.5
115.03990	1.2
117.42964	0.5
119.03499	11.0
124.34184	0.4
125.02457	4.7
131.03496	17.3
131.07115	1.8
143.03476	2.2
145.02979	0.9
149.04541	58.2
150.04866	1.2
161.04547	3.9
167.01283	0.4
168.35675	0.4
179.05569	4.9
189.01953	0.6
191.05598	13.5
204.16010	0.4
221.06584	2.2
233.06631	1.4
238.60246	0.4
251.07646	4.5
293.08771	0.7
303.18118	0.6
307.07986	0.5
311.09528	0.5
341.06708	1.1
342.07034	0.5
373.25909	1.7
435.22281	24.6
436.22641	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	435.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70105	0.1
57.03443	11.3
58.03759	0.2
59.01361	0.1
59.65709	0.1
61.98808	0.1
69.30515	0.8
69.30923	0.2
81.03445	0.1
82.68291	0.1
83.01382	0.6
102.01444	0.1
125.02435	100.0
126.02769	2.6
163.17464	0.1
167.03513	0.2
193.43170	0.1
203.58167	0.1
265.21762	0.3
328.14758	0.1
417.22855	0.2
435.23773	1.9
436.24228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88858	1.2
57.62772	1.0
58.41958	1.0
59.01092	1.9
59.01375	30.6
61.98822	13.2
63.31347	0.9
69.28899	7.4
69.29309	2.1
71.01373	7.0
73.02940	2.0
85.02937	4.4
87.00834	1.1
89.02430	3.5
93.03429	3.4
93.84419	1.1
95.01353	1.1
96.95999	5.3
101.02433	5.0
102.98577	1.2
108.02183	1.8
109.02939	1.7
113.02422	2.9
117.03459	13.7
119.05017	4.7
120.99654	1.3
123.00861	1.0
123.04484	1.1
125.02433	2.7
127.59243	1.1
137.02426	20.6
138.01886	1.6
145.02937	78.5
146.03264	4.5
147.03419	1.1
151.03976	2.8
152.01131	2.2
153.01898	0.9
160.24025	1.0
161.02452	4.6
161.04507	2.6
163.03958	6.1
164.01146	1.5
165.01909	100.0
166.02245	3.2
167.03439	2.3
176.01140	1.6
176.04793	2.4
179.03471	25.4
180.04259	59.3
181.04594	3.2
187.13295	2.5
194.05803	12.6
195.02940	2.6
195.06593	88.8
196.06943	5.6
209.08182	14.9
210.05325	13.6
225.07639	72.2
226.08023	5.7
315.08627	1.7
337.16156	1.2
345.09824	1.2
375.20068	1.8
375.27393	3.6
397.14969	46.6
398.15295	3.8
399.16000	5.3
433.33325	1.0
435.08829	1.7
435.17560	4.9
435.25671	3.5
436.16599	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	435.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57676	6.4
56.29189	5.9
59.01094	8.5
59.01375	100.0
61.98812	22.9
69.03432	6.4
71.01365	11.4
73.67525	6.2
79.95723	5.9
85.02912	7.0
89.02414	10.4
101.02413	7.8
108.71264	5.7
109.02902	7.2
118.58035	6.1
121.02956	7.5
123.04463	9.9
133.03712	6.5
145.02927	7.1
220.95415	6.1
255.06543	25.6
312.88043	7.8
375.23755	11.2
395.89063	6.2
435.21558	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	435.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57874	1.0
58.00593	2.5
59.01379	4.6
66.95552	1.0
70.59724	3.4
71.01382	4.4
73.02929	1.7
74.99085	1.5
78.61443	1.0
80.57613	1.0
85.02934	1.4
87.00864	5.3
89.02419	1.3
96.96003	8.9
101.02430	2.7
109.02927	3.5
109.20998	1.0
113.02409	2.0
121.02939	2.2
122.03754	1.1
128.52808	0.9
133.05006	1.8
133.62711	0.9
145.02924	3.2
149.02422	25.9
150.03221	42.4
152.01006	1.0
153.01920	2.2
161.02400	3.6
161.04500	5.0
162.03226	3.4
163.03964	1.2
164.04770	16.6
165.05548	100.0
166.05856	4.3
171.29472	1.0
177.05498	2.5
180.04236	3.0
195.06592	29.7
195.08290	2.1
196.06931	1.7
315.07159	4.5
327.10815	27.4
328.11084	2.7
357.11902	1.9
375.06622	1.3
395.76743	1.0
435.06158	3.2
435.14993	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	435.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29701	5.5
59.01374	100.0
61.98823	31.3
66.56775	5.7
71.01371	59.8
71.31291	12.5
85.02924	15.5
85.51991	5.1
87.00871	10.3
89.02438	95.4
92.92804	11.8
96.96017	40.1
101.02437	25.0
108.02197	11.1
111.78884	6.1
113.02426	23.8
117.03463	10.8
119.03487	39.4
143.03424	7.4
145.02980	33.7
146.03642	7.4
147.04501	7.9
149.02431	10.8
150.03146	20.2
152.01160	6.5
153.01898	8.5
161.02458	28.2
161.04520	10.9
162.03174	41.6
164.04764	6.9
165.05565	38.3
171.24770	6.7
177.05539	25.4
179.05646	38.0
180.04263	8.2
180.05794	5.3
195.06578	24.5
217.92935	5.1
241.71179	5.6
315.07144	17.7
327.10962	8.1
357.11765	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08115	0.8
59.01381	8.2
61.98809	2.7
69.51855	5.6
71.01373	1.5
72.00368	1.9
78.44339	0.8
85.02951	1.5
85.43806	0.9
89.02429	1.4
93.03483	2.1
96.95937	1.0
101.02406	1.8
102.98586	2.3
109.02914	2.2
121.02918	1.5
123.00967	0.9
123.04496	1.2
125.02370	0.9
135.00917	1.0
136.01643	2.6
137.02443	17.6
139.04015	1.7
141.07443	5.1
145.02959	2.6
151.03984	3.4
153.01958	1.1
161.02464	4.5
163.03992	1.4
164.01115	3.6
164.49864	0.9
165.01917	100.0
166.02226	4.1
167.03427	1.4
169.05043	3.0
175.07651	1.2
176.01097	1.2
176.04698	2.3
177.05391	1.2
179.03493	38.3
179.42883	0.9
180.04263	62.1
181.04657	2.8
191.05580	1.1
191.07140	1.2
194.05840	12.5
195.02940	2.5
195.06604	80.5
196.06943	4.8
209.08174	13.3
210.05324	13.3
225.07660	61.2
226.08009	3.2
255.06633	1.0
273.06488	1.6
283.04944	2.5
329.10022	1.7
357.09821	7.6
358.09958	1.5
371.24414	0.9
372.12061	3.5
387.14487	26.6
388.14703	2.7
435.09259	2.2
435.29785	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	435.1292
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
59.01089	1.3
59.01371	16.5
59.64306	1.0
61.98819	3.0
65.03953	1.6
69.34205	5.0
69.34642	4.3
71.01379	10.3
73.02915	2.1
77.41068	1.1
79.95740	2.1
83.01373	1.6
85.02945	4.3
87.00870	3.0
89.02439	5.8
93.03451	3.4
93.19933	1.1
95.01370	1.1
95.16415	1.0
96.96003	10.1
101.02446	7.1
107.05017	62.8
108.05344	2.4
109.02925	2.6
111.60139	1.1
113.02424	4.7
119.03526	1.9
121.02939	21.6
122.02867	2.3
122.03732	42.7
122.04608	2.1
123.04572	9.6
124.01634	1.5
137.02437	5.6
150.03197	4.0
151.03954	2.7
152.01187	1.1
153.05571	9.6
154.02678	4.3
159.02979	1.4
161.04564	1.7
167.03494	6.7
172.09723	1.0
182.02187	2.5
185.09998	6.7
189.02124	1.1
229.08659	82.7
230.09045	5.9
255.06593	1.5
273.07651	57.0
274.07932	3.8
313.16898	1.2
315.08557	2.3
347.15271	4.3
418.21729	1.2
435.12769	100.0
435.17099	48.2
436.12656	14.4
436.17511	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	435.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.3
59.01363	2.0
68.99792	1.0
69.03442	0.8
69.56373	1.4
69.56772	2.5
71.01364	0.9
81.03451	8.9
82.03772	0.5
82.37206	0.5
83.01373	2.7
89.02421	0.6
93.03443	4.9
95.01396	1.3
95.05017	8.7
97.02940	3.8
99.04515	4.3
101.02453	0.6
101.33130	0.6
107.05015	0.7
109.02946	0.7
111.04504	0.8
119.05035	4.9
121.02922	2.7
122.03695	0.7
123.00875	6.5
123.04514	13.2
124.01632	2.8
125.02433	20.5
135.04492	1.5
137.02443	2.1
137.05086	0.7
137.06073	9.2
139.03987	1.8
141.05507	1.3
147.04520	1.4
148.12611	0.6
149.02435	0.8
149.99548	1.5
151.04041	0.8
153.05540	0.8
155.03482	1.2
158.43987	0.5
161.02463	0.7
165.01888	0.8
165.05551	7.0
167.03477	45.9
168.00635	4.9
168.03799	1.5
177.05603	0.6
179.03485	7.4
180.03996	0.7
181.05096	1.4
189.05573	3.3
191.03505	1.3
193.05057	1.2
197.04523	3.6
209.04526	13.1
221.04549	2.7
231.06526	1.2
239.05640	0.9
269.06778	0.7
273.07693	8.2
274.08157	0.8
285.07715	2.1
313.05533	5.8
315.08701	100.0
316.09061	7.3
327.08701	1.2
345.09720	21.9
346.10077	2.3
357.09888	1.0
417.11835	2.0
435.08759	2.8
435.12988	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1291
Annotation	Rocymosin B
Peak:m/z	Relative Intensity
53.80284	0.3
55.01841	0.3
56.93782	0.3
58.95414	0.3
59.01374	6.9
61.98819	1.0
68.99816	0.4
70.17681	0.3
70.63311	0.5
71.01382	3.9
76.72945	0.3
81.03468	1.7
83.01380	5.1
85.02937	1.1
89.00301	0.3
89.02443	2.6
93.03446	3.4
95.01367	0.9
95.05027	1.3
97.02924	0.7
99.04539	0.4
101.02428	2.3
107.05026	0.4
109.02957	0.5
111.39875	0.4
113.02429	1.2
119.03486	1.1
123.04517	12.3
125.02441	5.4
135.04457	0.5
137.02434	3.7
137.06073	1.3
139.03964	0.9
143.05035	0.7
147.04512	0.5
149.02426	0.6
151.00316	0.5
151.03983	0.9
155.03416	0.4
163.00334	0.8
165.05511	1.1
166.02707	0.6
166.66875	0.3
167.03481	43.7
168.03825	1.6
169.06586	0.5
176.38774	0.3
177.01967	0.4
177.05542	0.4
179.03484	13.8
180.03914	0.6
181.05003	1.2
181.60814	0.3
187.07632	0.6
189.01901	0.4
191.03476	6.9
193.05049	1.3
209.04530	13.1
209.06508	0.8
210.04741	0.5
211.03966	2.4
213.05556	4.3
221.04512	4.4
231.06668	0.9
237.05431	1.4
237.24620	0.4
239.03481	6.3
239.05644	2.9
240.03879	0.5
251.05643	1.1
255.06596	100.0
256.06976	6.4
273.07642	5.3
274.08047	0.4
297.07596	0.6
315.08713	14.5
316.09042	1.2
329.08725	4.2
341.06631	0.6
345.09769	5.5
346.09976	0.6
386.94650	0.3
417.11868	0.5
435.12918	13.6
435.22531	0.6
436.13065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
61.98817	0.4
69.03449	0.3
71.01376	1.4
72.99279	0.4
73.02939	0.5
79.95723	3.6
80.96497	2.2
85.02937	0.6
87.00876	0.3
93.03429	1.2
95.95245	0.9
96.95998	100.0
97.95929	0.4
101.02422	0.7
113.02478	0.4
121.02928	0.6
122.97592	0.7
123.04512	0.5
137.02412	2.9
138.97040	4.4
150.96988	0.6
164.98587	0.6
168.98102	0.7
180.98096	0.8
193.08734	0.5
207.74586	0.3
218.44958	0.3
222.99107	0.7
225.00699	0.3
241.00192	11.4
242.00478	0.4
256.85602	0.3
320.31335	0.3
341.06516	0.3
435.09592	54.4
436.09930	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	435.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05807	0.7
57.42652	0.7
58.22947	0.7
59.01394	2.9
59.96785	0.6
61.97767	0.7
61.98825	20.4
69.62680	4.1
69.63078	1.1
71.01396	1.1
75.62053	0.6
78.33155	0.6
84.07419	0.7
89.03969	0.6
93.03461	8.4
95.05052	1.7
95.74320	0.7
103.05583	0.7
105.03443	0.7
107.05057	1.2
108.02182	4.4
109.02946	16.2
114.56808	0.7
117.03476	1.8
119.05054	2.5
121.02975	1.3
122.03769	1.6
123.04515	14.6
124.01663	1.3
124.04874	0.7
125.02480	2.7
133.03003	2.3
137.02472	1.1
145.02936	7.9
147.04506	3.8
149.02435	1.3
149.99677	1.2
150.03233	1.5
151.04005	8.2
159.04491	1.5
161.02443	1.8
162.03249	0.8
163.04022	1.3
168.00653	3.4
175.04045	0.9
176.01265	1.1
177.01898	23.2
178.02271	0.9
187.04079	2.0
189.01918	50.9
190.02669	12.0
191.03471	11.5
192.03882	0.7
203.03467	7.2
216.00591	9.1
217.01389	31.7
217.14597	0.9
218.02052	3.8
219.02963	12.9
229.04996	0.8
229.08688	1.5
231.02968	10.8
232.03624	1.2
233.04417	1.2
241.05035	2.1
271.06085	2.9
273.07605	1.9
281.04459	1.1
283.06015	1.6
289.07135	3.6
297.07755	1.2
311.05551	5.0
313.07166	1.0
323.05609	1.2
341.06622	100.0
342.06943	9.3
375.10767	1.3
375.27484	2.3
435.10724	43.8
436.11096	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	435.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.4
59.23198	0.7
61.98821	1.2
63.84805	0.8
67.78757	0.7
68.19391	0.7
69.49865	2.8
69.50291	3.1
70.28530	0.8
71.01369	2.8
79.95724	1.3
85.02950	1.8
87.00860	1.0
87.39021	0.8
89.02441	1.7
93.03450	56.4
94.03785	1.4
95.01412	0.9
96.96001	24.9
101.02430	2.4
108.02148	10.3
109.02941	76.8
110.03284	2.7
113.02430	0.8
117.03437	1.1
119.05047	1.2
121.02950	1.3
123.00861	2.0
123.04499	3.9
127.11220	0.8
137.02434	100.0
138.02744	2.1
139.04001	0.9
142.32520	0.8
145.02948	4.7
147.04536	1.1
151.03989	1.8
152.01137	13.8
153.01923	86.5
154.02295	1.8
167.08945	1.6
177.01909	5.2
189.01909	10.2
190.02618	1.4
191.03445	2.0
203.03557	1.8
216.00583	1.4
217.01375	6.4
218.02020	0.9
219.02966	2.6
231.02966	1.9
255.10612	1.8
271.05905	1.1
297.06104	8.1
315.07175	20.5
316.07474	1.2
341.06607	19.1
342.06973	1.5
369.48233	1.0
375.20071	1.0
435.09299	90.0
436.09607	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	435.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	14.9
61.98818	1.5
63.96133	0.5
67.20690	0.7
69.03449	2.4
69.79686	3.5
71.01376	6.1
73.02969	0.7
74.36552	0.6
83.01402	0.7
85.02955	1.7
89.01949	0.6
89.02442	2.8
93.03468	1.2
95.01378	11.4
97.02946	3.5
98.74034	0.9
101.02448	1.9
107.01379	1.0
108.02207	1.5
109.02968	2.0
113.02408	0.9
121.02942	30.9
122.03283	0.7
123.00874	100.0
124.01666	33.9
125.02441	40.0
126.02753	1.2
137.02457	2.0
145.02927	2.0
149.02402	2.1
149.99565	30.1
151.00237	1.3
155.10738	0.7
161.02417	1.4
163.04004	1.3
166.99873	4.1
167.01189	0.9
167.03470	28.3
168.00618	56.7
168.03665	1.6
169.01382	4.4
176.04802	1.0
179.03389	1.0
191.03479	5.0
191.07190	0.9
195.02954	3.2
195.10309	0.8
269.06628	16.8
270.07050	0.8
300.02667	0.6
301.03040	0.9
302.03293	1.5
309.08160	0.7
313.05603	78.3
314.05954	5.3
345.13376	0.7
375.19501	0.9
433.06906	0.5
435.09201	59.5
436.09625	5.7
452.02826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94516	0.6
53.92569	0.6
55.01854	0.6
55.54950	0.5
57.03437	0.9
59.01370	14.4
61.98828	2.8
69.03448	0.7
70.38686	1.3
70.39085	1.1
71.01386	5.5
71.78796	0.6
72.99306	0.7
73.02934	1.1
79.95721	1.0
81.03448	2.3
83.01380	1.2
85.02943	2.8
87.00870	1.8
89.02458	1.5
89.37595	0.6
93.03448	64.1
94.03790	1.8
95.01365	1.6
95.05011	0.6
96.95995	19.0
101.02431	2.6
102.27792	0.5
107.05013	2.2
108.02162	61.2
109.02959	26.5
110.03220	0.8
113.02443	2.2
117.03445	0.6
117.90734	0.6
119.04990	1.8
121.02962	1.8
122.03745	1.1
123.00827	1.0
123.04526	6.5
125.02440	2.1
133.02992	0.6
135.04501	1.3
137.02426	91.8
138.02792	2.9
139.04050	0.6
145.02954	2.0
151.03999	1.5
152.01132	80.3
153.01924	33.7
153.05539	3.5
154.02290	1.3
161.02397	1.0
161.04517	1.6
163.03981	1.7
165.01900	0.7
167.03482	13.5
168.03772	0.6
179.03458	1.5
185.10008	3.3
187.13359	1.2
191.03464	1.2
195.02890	1.2
209.04568	0.8
229.08640	2.1
249.06075	1.8
273.07660	10.5
297.05984	18.6
298.06625	0.7
315.07150	18.1
316.07446	1.5
375.20276	1.2
429.11322	0.6
435.09180	100.0
435.16339	3.5
436.09573	12.2
436.16055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0927
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
50.21045	0.6
57.03431	1.1
59.01372	6.0
61.98816	3.9
69.03434	2.9
69.48289	4.8
70.58520	0.8
71.01372	2.5
72.91636	0.7
73.02942	0.9
81.03433	2.1
83.01362	1.8
85.02934	0.7
89.02458	1.0
93.03440	4.5
93.23529	0.6
95.01383	1.5
95.05033	0.9
96.96008	5.0
97.02959	3.1
101.02415	2.8
107.01353	2.4
108.02129	0.8
109.02945	9.7
113.02448	1.2
117.03427	2.7
119.03460	0.6
119.05007	2.2
121.02943	9.2
123.00875	7.5
123.04500	6.3
124.01656	20.2
125.02433	55.2
126.02760	1.5
133.02969	1.1
137.02458	3.3
143.10786	0.6
145.02948	8.1
147.04462	0.6
149.02391	1.4
149.99565	33.2
151.00377	4.1
151.04044	3.7
153.05516	0.7
159.04544	0.8
161.02480	1.3
161.04610	1.1
161.06009	0.9
163.04028	1.1
165.01866	1.1
167.03462	1.0
168.00616	60.5
169.01375	4.4
169.17889	0.6
177.01880	10.0
185.10014	2.0
187.03975	2.0
188.04718	1.0
189.01900	11.8
190.02670	4.2
191.03450	2.6
197.89960	0.7
199.13324	1.2
216.00584	2.6
217.01376	9.2
218.02023	0.8
219.02911	4.8
222.07338	0.7
227.07176	1.3
229.04993	1.3
229.08653	1.0
231.02895	2.4
245.07874	0.7
255.06516	1.3
271.06140	3.5
281.04410	3.2
283.06161	1.2
289.07104	1.4
297.07584	1.5
311.05463	1.7
313.05487	1.6
323.05331	0.8
341.06595	47.1
342.06946	4.1
347.15302	0.8
397.14893	1.4
417.08154	3.9
435.09317	100.0
435.16501	9.4
436.09702	10.9
436.16245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41898	0.5
54.33210	0.5
59.01374	15.6
60.01697	0.9
61.98823	1.3
69.03452	1.3
69.69888	2.3
69.70297	1.3
71.01384	6.1
71.10436	0.7
73.02913	0.8
75.00891	0.6
79.01920	0.8
83.01374	1.3
85.02959	1.6
87.00903	1.0
89.02428	1.4
93.03455	1.2
95.01386	10.8
97.02946	4.4
98.19859	1.0
101.02444	1.0
107.01417	1.0
108.02172	1.4
109.02932	1.3
121.02948	29.8
122.03280	1.1
123.00877	100.0
124.01676	32.8
125.02444	42.5
125.03146	0.8
125.03392	1.2
126.02771	1.0
131.07088	1.0
133.18282	0.6
135.04549	0.8
137.02480	0.9
145.02914	1.7
149.02396	2.0
149.99574	29.1
151.00272	1.2
151.04042	0.8
161.02429	2.3
163.03995	1.2
166.99850	3.5
167.01277	0.7
167.03481	31.6
168.00627	62.3
169.01375	3.3
172.81259	0.5
176.04726	0.9
179.03551	0.6
191.03502	6.0
191.07080	1.6
195.03000	3.2
195.10191	1.2
199.09518	0.6
216.44872	0.5
246.62729	0.7
269.06647	16.2
270.06854	0.8
271.51135	0.6
273.03101	1.2
300.02606	1.3
301.03094	1.1
302.03323	2.4
313.05609	85.2
314.05914	5.1
345.13477	1.1
368.16370	0.6
375.20233	0.7
377.14651	0.6
435.09247	59.5
436.09543	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	434.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.00585	2.2
59.01374	78.6
60.01704	1.2
61.01794	1.3
61.98824	100.0
69.40987	5.8
70.10760	0.6
71.01376	48.7
72.20331	0.7
72.99277	1.5
73.02946	14.8
75.00851	0.8
76.81020	0.7
83.01393	2.1
85.02953	6.9
87.00893	1.3
89.02435	83.3
95.01408	1.4
97.02945	1.0
99.00872	24.5
99.01508	1.4
101.02437	33.5
109.02905	0.7
113.02439	10.7
115.04021	1.2
119.03488	8.8
123.04548	1.1
125.02451	4.9
125.03264	0.6
131.03487	11.1
131.07103	1.2
137.02444	0.9
143.03516	3.0
145.02962	0.8
149.04539	50.8
161.04544	3.7
179.05630	3.2
191.05592	10.5
199.01726	0.7
221.06630	2.8
233.06650	1.1
251.07600	3.6
286.67612	0.7
293.08795	0.9
341.06940	1.1
412.48972	0.8
434.24957	0.9
435.22293	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.9
61.98825	100.0
69.26993	5.4
71.01364	1.4
73.02950	0.9
74.56396	0.5
75.60847	0.5
85.67612	0.5
88.84773	0.5
93.03474	0.6
96.95986	0.7
98.20665	0.9
101.02467	0.9
109.02954	2.4
111.36389	0.6
121.36423	0.5
139.76006	0.5
145.02991	1.6
146.03300	1.2
171.10292	1.4
221.38690	0.6
250.35583	0.6
336.12723	0.9
371.24353	17.3
372.24832	1.8
381.75970	0.5
396.17407	1.3
402.85931	0.6
434.28607	1.3
435.20618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2589
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.08377	0.5
65.00340	3.1
67.01882	1.8
68.99810	3.7
69.47471	0.6
71.37022	1.2
81.03461	1.5
83.01378	1.2
89.00366	0.6
96.96018	1.0
99.40337	0.6
109.02960	0.7
111.00846	0.7
125.02409	2.1
135.00868	0.6
151.00369	1.0
153.01869	3.3
162.03226	0.9
173.11772	0.8
178.99940	3.6
190.02661	1.3
192.00592	1.4
193.01416	1.1
246.28313	0.7
251.23808	1.5
277.21701	0.9
277.25394	1.0
279.23209	1.9
387.25555	1.7
389.23169	1.3
401.19467	2.9
405.26462	1.8
415.24905	1.8
431.24365	9.0
432.24680	1.8
433.25906	100.0
434.26242	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	433.2953
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
51.77944	0.3
56.74770	0.2
57.03441	2.0
59.01379	1.8
61.98806	0.3
65.00318	1.7
66.10294	0.3
68.99805	0.4
70.85497	0.8
77.19684	0.3
81.03448	18.6
82.03783	0.3
83.01385	2.3
83.05017	0.4
85.93929	0.3
107.01372	0.9
122.03751	1.6
123.04519	0.5
125.02440	15.4
126.02802	0.4
151.00354	1.2
152.99654	0.3
191.77136	0.3
279.26886	1.2
282.86111	0.3
305.28384	1.5
307.26398	2.0
319.29987	1.1
323.29462	0.6
329.28452	2.8
343.29944	0.3
345.27829	0.5
347.29514	3.4
348.29892	0.5
349.27536	0.4
371.29501	1.0
389.30566	13.6
390.30743	1.7
415.28604	0.7
432.81262	0.3
433.29510	100.0
434.29858	12.4
434.35983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98823	100.0
62.98513	0.3
69.53864	0.9
69.54297	1.1
71.01388	0.5
81.03446	0.3
90.77090	0.3
93.03454	3.9
95.01411	0.3
95.04989	0.6
95.15478	0.3
98.19878	0.6
107.04970	0.5
108.02167	1.7
109.02942	6.0
117.03477	0.8
119.05008	0.6
121.02957	0.6
122.03767	0.5
123.04515	5.1
125.02441	1.0
125.06126	0.3
133.02975	0.8
139.03996	0.4
145.02939	2.8
147.04529	1.6
149.99480	0.3
150.03214	0.6
151.03987	2.7
159.04500	0.5
161.02429	1.0
162.03192	0.4
163.04037	0.6
165.09245	1.3
168.00606	0.5
176.01230	0.5
177.01912	9.4
187.04099	0.6
188.06949	0.3
189.01903	17.9
190.02722	4.1
191.03499	3.9
193.04816	0.3
203.03499	2.7
203.07173	0.4
205.04808	0.4
209.06163	0.3
209.08160	6.6
210.08400	0.4
216.00618	2.9
216.26921	0.3
217.01381	14.1
217.14441	0.4
218.02188	0.6
219.02946	5.9
229.08707	0.5
231.02979	3.8
232.03627	0.5
233.04478	0.3
241.05070	0.7
245.08289	0.4
251.61993	0.3
255.06488	0.3
259.55450	0.3
268.37976	0.2
269.04486	0.4
271.06110	1.4
281.04407	0.5
283.06067	0.6
289.07184	1.4
297.07446	0.6
298.85110	0.2
311.05560	1.7
318.82196	0.3
321.03848	0.3
323.05484	0.6
341.06616	38.2
359.10706	0.3
371.13339	0.8
374.13177	1.4
375.10944	0.5
375.27539	0.7
400.69031	0.3
417.17606	0.3
419.12814	0.6
434.15393	2.9
435.10718	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	433.2589
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.02602	0.2
57.03442	10.1
59.01378	1.0
59.15646	0.1
61.98824	0.2
65.00316	0.5
78.95905	0.6
81.03443	1.7
81.58657	0.2
83.01377	7.9
98.20732	0.3
105.03463	0.2
107.01376	0.5
120.68864	0.2
121.02940	0.7
123.04497	1.1
125.02435	100.0
126.02771	2.9
127.52673	0.2
149.02467	1.3
151.00349	0.7
152.99571	0.9
155.91338	0.2
167.03465	1.9
174.31935	0.2
211.32834	0.2
229.14442	0.2
237.22241	0.5
242.79395	0.2
263.23862	0.6
265.21680	0.8
297.24615	0.2
307.22760	1.7
308.22833	0.2
349.89337	0.2
361.83438	0.2
400.10458	0.2
415.25085	0.3
433.25891	11.6
434.26114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.45868	0.3
53.51466	0.3
56.39145	0.3
59.01376	2.7
59.74053	0.3
64.46665	0.4
68.91148	0.4
72.70263	0.4
78.95895	70.2
79.60526	0.3
83.01417	0.4
90.50304	0.4
96.96951	6.2
97.46483	0.3
104.67127	0.4
125.02417	2.8
150.98009	1.8
152.99574	100.0
153.99881	1.2
168.21303	0.3
168.93207	0.4
171.00612	2.4
279.23257	1.9
307.18573	0.3
356.13962	0.3
366.15356	0.4
392.61566	0.3
433.23495	15.4
433.32733	0.7
434.23831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01713	0.9
61.98822	1.3
62.50281	0.5
70.08685	1.7
70.09103	0.9
70.32701	0.4
71.01373	8.0
72.95851	0.4
72.99320	0.6
73.02944	1.8
79.99789	0.4
83.01412	0.5
85.02924	2.7
85.75053	0.5
87.00854	0.8
89.02437	6.4
95.01410	0.9
96.95998	0.5
99.00880	0.5
101.02437	6.5
101.06065	2.7
113.02430	3.9
115.07640	0.6
118.42326	0.6
119.03515	2.4
148.38318	0.5
159.03020	0.8
161.04532	7.9
161.05824	0.5
179.05681	1.3
243.06711	0.6
250.70644	0.4
265.33478	0.5
271.06152	0.7
271.52567	0.5
373.22235	19.8
374.22687	1.9
404.19675	0.5
418.06860	0.6
433.09143	3.1
433.24268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98067	0.3
59.01374	100.0
60.01704	0.7
63.32337	0.2
69.57079	1.6
71.01378	4.2
72.99289	0.5
73.02954	0.8
77.15309	0.2
83.01403	0.7
85.02946	1.9
87.00883	0.7
89.02434	2.7
91.40431	0.2
93.03446	0.6
95.01376	0.6
99.00886	0.5
101.02441	2.6
106.23395	0.3
113.02441	2.4
119.03504	1.3
125.02483	0.4
131.07106	1.6
137.02452	2.1
143.03499	0.3
144.36124	0.3
151.00378	0.6
161.04533	1.7
179.05565	0.6
243.02901	0.7
255.03040	0.9
271.02448	2.9
271.19122	0.5
300.02722	5.3
301.03406	2.4
313.16516	0.4
320.61151	0.3
331.17773	0.6
347.21658	0.3
373.18674	1.1
397.14886	3.6
398.15494	0.3
433.07578	2.8
433.16235	0.3
433.19910	0.3
433.24603	2.7
434.25131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98067	0.3
59.01374	100.0
60.01704	0.7
63.32337	0.2
69.57079	1.6
71.01378	4.2
72.99289	0.5
73.02954	0.8
77.15309	0.2
83.01403	0.7
85.02946	1.9
87.00883	0.7
89.02434	2.7
91.40431	0.2
93.03446	0.6
95.01376	0.6
99.00886	0.5
101.02441	2.6
106.23395	0.3
113.02441	2.4
119.03504	1.3
125.02483	0.4
131.07106	1.6
137.02452	2.1
143.03499	0.3
144.36124	0.3
151.00378	0.6
161.04533	1.7
179.05565	0.6
243.02901	0.7
255.03040	0.9
271.02448	2.9
271.19122	0.5
300.02722	5.3
301.03406	2.4
313.16516	0.4
320.61151	0.3
331.17773	0.6
347.21658	0.3
373.18674	1.1
397.14886	3.6
398.15494	0.3
433.07578	2.8
433.16235	0.3
433.19910	0.3
433.24603	2.7
434.25131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17827	0.5
55.01868	1.7
55.55891	0.5
56.69095	0.5
57.03436	1.6
58.00589	3.3
59.01374	85.1
60.01704	0.8
61.98829	3.0
64.94412	0.5
66.44073	0.5
69.03445	1.5
71.01376	67.4
71.63572	0.5
72.01746	0.5
72.99299	3.9
73.02942	22.0
75.00858	1.0
81.03434	0.7
83.01380	2.6
85.02943	9.9
87.00873	2.0
89.02436	100.0
89.38550	0.4
90.02767	1.1
95.01369	2.3
96.95980	1.1
97.02943	1.4
99.00873	27.1
99.04478	0.6
101.02437	46.8
102.02774	1.2
109.02950	1.3
113.02440	16.0
115.03951	1.2
117.02006	0.6
119.03491	12.5
123.04525	3.3
125.02460	5.2
131.03500	18.0
133.02922	1.3
135.04439	0.9
143.03447	3.9
144.04565	0.5
145.02928	1.0
149.04541	47.8
150.04860	1.4
151.06351	0.6
153.05556	4.3
161.02470	2.7
161.04517	4.3
177.01920	3.3
179.05583	4.6
191.05609	13.3
192.05843	0.6
194.70665	0.5
221.06653	1.4
233.06590	1.8
251.07649	3.1
252.15819	0.6
263.07330	0.6
271.19128	0.6
301.16534	6.2
309.08115	0.5
323.05502	2.7
373.21997	0.8
397.14886	1.3
433.08875	1.4
433.20551	17.7
434.20831	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03426	0.4
58.99596	19.8
59.01373	7.3
61.98840	0.5
62.79633	0.3
64.50327	0.3
71.01373	12.0
73.02932	2.9
83.01368	1.3
85.02940	4.3
87.00864	14.1
89.02434	4.8
94.93840	0.3
95.01353	1.2
99.00867	0.9
99.05351	0.4
101.02436	5.7
102.98583	100.0
103.98917	1.2
109.07552	0.3
113.02428	5.1
117.03472	0.5
119.03471	1.4
119.04974	0.5
125.02415	2.6
128.71725	0.4
131.66713	0.3
143.03448	0.8
145.02942	2.6
150.11530	0.3
159.02979	0.7
161.04533	4.8
163.04018	0.4
179.05640	0.7
183.08560	1.6
190.80661	0.4
205.07146	0.5
235.70645	0.3
249.06105	7.5
275.36203	0.4
283.04880	75.4
284.05209	3.8
299.52838	0.4
307.08115	1.1
313.74591	0.3
433.15442	0.9
451.89999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01374	15.3
59.18014	0.6
61.98818	1.9
63.22839	0.6
66.01837	0.5
71.01379	11.4
71.02554	1.6
72.89571	0.6
72.99312	1.0
73.02947	2.5
75.00855	1.3
77.90514	0.7
80.96500	0.8
83.01363	0.8
85.02946	3.9
85.70242	0.6
87.00877	0.9
89.02443	7.6
93.03452	36.2
94.03819	1.3
95.01402	1.7
96.95986	4.6
97.02957	0.7
101.02418	6.9
107.05024	1.1
108.02151	1.2
109.02949	1.4
113.02416	4.2
117.97311	1.5
119.03487	2.6
119.96857	1.7
121.02972	1.1
123.04541	1.1
125.02438	2.8
127.13268	0.5
133.05045	0.7
135.04518	2.7
136.01660	11.9
137.02432	100.0
138.02812	3.5
149.02409	1.3
151.04036	6.7
151.06075	4.0
160.63365	0.7
161.02414	6.2
161.04460	1.1
163.04082	0.9
179.03474	46.2
180.03815	1.6
191.03578	0.6
191.05585	1.6
193.12057	0.7
209.04507	8.6
215.00197	2.8
221.87154	0.6
239.05585	38.4
240.05956	2.3
240.98166	1.4
258.99121	2.3
271.15051	0.7
281.06607	4.6
299.07721	10.4
300.08139	0.7
415.03360	2.3
425.34592	0.6
433.04843	7.9
433.13437	81.3
434.04572	1.1
434.13675	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	433.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01088	1.2
59.01374	18.6
59.27521	0.7
61.98827	3.5
71.01374	11.4
71.13526	0.7
71.61921	0.8
72.99279	1.6
73.02942	2.6
75.00855	5.7
85.02939	3.6
87.00880	1.9
89.02436	8.3
93.03447	40.1
94.03754	1.1
95.01399	1.4
96.96005	10.8
96.96967	1.6
101.02435	7.4
107.05017	1.8
108.02174	1.2
109.02941	3.1
113.02447	4.9
117.97279	0.7
119.03477	2.0
119.96901	1.5
121.02954	1.5
123.04505	2.9
125.02462	5.2
129.01917	1.4
134.03734	0.9
135.04544	3.4
135.56975	0.7
136.01646	11.4
137.02429	100.0
138.02750	3.2
147.02985	2.5
149.02411	3.0
151.04008	4.8
151.06091	2.5
152.04259	1.0
161.02415	6.5
161.04541	0.7
165.04037	3.0
171.56973	0.7
179.03476	43.6
180.03799	2.5
191.03835	0.7
191.05606	3.3
209.04507	9.6
215.00179	2.0
230.79897	0.7
239.05582	36.6
240.05884	1.6
245.85570	0.9
251.42508	0.8
258.99216	2.2
281.06747	3.8
289.07181	1.2
299.07687	10.0
415.03546	1.5
433.04980	4.8
433.13419	92.0
434.13748	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23778	0.6
59.01374	23.3
61.98840	0.5
66.81297	0.5
70.81635	0.5
71.01376	1.8
71.61575	0.8
72.99291	2.3
78.95898	0.5
85.02987	1.0
87.00882	0.6
88.95355	0.5
89.02441	1.2
91.00372	1.1
93.03433	0.7
95.01412	0.6
96.96004	6.1
101.02450	1.0
103.89439	0.5
108.02129	1.2
109.02942	2.4
113.02468	0.9
119.03527	0.9
120.02158	1.4
123.00824	0.7
123.04503	2.3
125.02428	1.7
135.04503	0.9
136.01648	1.0
137.02441	3.4
138.97015	0.6
148.01657	22.4
149.02179	0.9
151.03990	1.4
153.05569	21.4
154.05916	0.9
161.02353	0.6
163.03998	27.7
164.04295	1.0
165.01897	1.2
166.02695	1.9
179.03505	3.2
179.05534	0.5
181.05058	45.0
182.05353	2.3
189.10638	0.5
191.03603	0.7
193.04967	1.4
196.03790	2.1
211.06096	100.0
212.06444	5.3
221.42079	0.6
223.06062	0.8
228.86511	0.6
239.05406	0.8
253.07036	0.8
285.81647	0.5
294.31409	0.5
315.06808	0.7
432.99323	1.1
433.13464	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51520	0.6
59.01373	34.8
61.98827	5.8
62.35988	0.7
70.89251	0.6
71.01373	5.6
71.05001	0.5
73.02937	2.0
83.01394	1.2
83.27988	0.5
85.02917	2.9
87.04504	1.1
89.02438	3.0
93.03403	0.9
95.01379	1.7
96.96005	0.7
98.15842	0.5
99.00846	0.6
101.02436	4.5
109.02946	3.0
110.33953	0.6
111.00856	0.8
113.02444	2.6
117.03452	16.5
117.04255	1.1
119.03544	0.6
119.05006	6.9
120.99608	0.7
121.02940	34.3
122.03248	1.0
123.00861	0.9
125.02419	1.6
135.04471	0.7
137.02374	0.8
139.00362	0.9
139.07298	0.6
144.68384	0.6
145.02937	100.0
146.03262	4.9
151.00400	0.8
159.04472	0.5
161.02426	4.1
161.04488	0.9
163.02670	0.9
163.03995	8.6
165.01866	1.4
177.01935	1.1
178.02771	0.8
181.05046	1.2
191.05539	0.7
192.04253	0.7
192.84903	0.6
193.05061	1.0
194.05820	0.6
197.11794	0.8
203.03549	0.7
207.06529	0.7
210.06059	0.6
218.05865	0.7
263.02225	0.6
271.02112	0.7
271.06061	1.3
300.02710	0.7
311.09656	0.5
343.07947	0.8
355.34915	0.6
373.08893	0.8
373.12979	3.6
373.18307	1.1
389.17740	0.7
395.13303	1.2
397.14969	69.0
398.15250	6.2
403.09756	1.0
403.14279	0.7
415.14059	2.9
418.12640	1.4
433.15680	7.4
433.20322	1.1
433.24353	1.2
434.15146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
58.73518	0.4
59.01373	2.6
61.98825	7.2
63.02393	2.3
65.00317	5.4
71.01377	0.8
71.08677	0.8
83.01382	3.4
85.02957	0.5
86.15483	0.4
89.02425	0.8
93.03446	7.8
101.02441	0.8
107.01379	11.0
108.99271	0.4
115.21606	0.4
117.03408	0.5
118.12930	0.4
119.05012	35.6
119.59538	0.4
120.05338	1.5
121.02961	1.0
124.62740	0.4
125.02458	1.8
136.01656	0.6
137.02425	2.9
145.02925	1.6
151.00351	40.7
152.00716	1.3
164.01160	0.8
165.01939	2.1
165.05519	0.5
169.01421	0.4
175.00305	1.4
177.01901	5.2
178.02019	0.4
182.08205	0.5
185.06113	0.5
193.01341	0.8
227.07112	0.8
260.44101	0.4
268.03662	1.1
269.04153	0.6
270.04428	1.2
271.06079	100.0
272.06396	8.3
278.63708	0.4
295.06168	0.9
313.07242	1.9
379.07297	0.4
397.14984	4.0
398.15067	0.6
433.10748	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	433.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78195	0.7
59.01373	16.0
60.03442	0.7
61.98831	5.5
62.72084	0.6
63.02331	0.7
65.00297	2.9
69.03445	1.7
69.12718	0.7
69.81116	3.9
71.01378	10.2
72.99295	1.6
73.02930	2.0
79.01868	1.8
81.03421	2.5
83.01378	4.4
84.28320	0.7
85.02939	3.6
87.00864	0.9
87.04498	0.7
87.67822	0.8
89.02434	10.5
93.03456	5.2
95.01369	2.1
95.04979	0.9
97.02387	0.6
97.02917	4.3
98.19836	1.0
99.04438	0.7
101.02425	7.1
105.03454	1.4
105.26347	0.7
105.46575	0.6
107.01391	4.9
109.02899	1.0
113.02419	5.5
114.89897	0.7
117.03410	1.0
119.03477	4.5
119.05012	32.9
120.05356	1.3
121.02943	5.6
123.00846	2.7
123.04514	2.0
125.01601	1.1
125.02436	12.4
135.04439	0.8
136.01651	1.2
137.02388	3.2
143.03511	0.7
143.04987	2.7
145.02908	2.3
149.02420	6.1
151.00359	12.7
161.02428	1.8
161.04541	3.2
161.06000	1.1
163.00345	5.1
163.04031	1.0
164.01103	1.3
165.01910	9.1
167.03462	3.0
177.01898	2.1
179.03506	1.4
179.05562	2.4
185.06042	2.3
187.04070	3.6
191.03391	2.4
191.05434	1.1
193.01384	25.4
194.01768	1.4
201.34305	0.7
205.01413	1.7
207.02933	2.7
219.02980	2.6
223.02458	4.7
227.07088	1.5
241.08606	1.5
245.08244	0.9
269.08142	1.8
271.06061	10.5
272.06378	1.2
283.06064	2.5
313.07126	100.0
314.07471	7.6
325.07111	2.0
343.08176	26.6
344.08527	2.4
355.08258	1.8
387.20181	1.8
415.10269	1.8
433.05423	1.2
433.11340	23.8
433.25266	5.0
434.11664	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	433.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.8
57.03445	1.8
58.00591	0.9
59.01086	1.3
59.01375	21.8
63.02385	1.1
65.00314	6.0
69.03433	0.9
69.87615	3.8
71.01375	14.9
72.99284	1.1
73.02948	3.1
73.73100	0.8
77.03962	0.9
81.03454	3.4
83.01373	6.2
85.02927	4.7
87.00871	1.1
87.04504	2.1
89.02429	11.1
89.61282	0.8
93.03451	6.1
95.01377	2.6
97.02937	4.2
97.30354	0.8
98.20529	1.1
99.00881	1.2
101.02444	10.9
102.45461	0.7
105.03392	1.7
107.01378	8.2
107.05041	0.9
108.02177	2.7
108.72237	0.7
109.02956	6.8
111.04485	0.9
113.02449	7.0
117.03452	2.1
117.22432	0.7
119.03514	5.2
119.05014	45.0
120.05383	1.6
121.02932	5.3
123.00890	2.7
123.04516	1.6
125.02427	14.6
133.02936	16.2
135.04498	6.5
137.02414	4.7
143.05000	3.7
145.02936	5.1
149.02412	5.6
151.00368	23.6
155.03447	1.1
161.02429	49.5
161.04555	4.7
161.06041	2.3
162.02805	1.8
163.00345	6.3
163.04016	2.3
164.01126	1.9
165.01906	10.4
167.03455	4.0
175.00287	1.0
177.01894	4.0
177.05586	0.9
179.03485	5.4
179.05530	1.9
185.06085	2.6
187.03996	4.0
191.03455	1.5
193.01396	24.8
194.01797	1.0
199.07602	1.0
205.01361	2.1
207.02962	2.4
219.03078	2.4
223.02451	3.2
227.07057	2.3
241.08807	1.8
243.06648	1.0
245.08125	0.9
269.08307	1.3
271.06082	25.2
271.19089	1.2
272.06390	2.4
283.06000	2.5
284.06592	1.3
311.05560	1.1
313.07135	100.0
314.07495	8.0
323.07629	2.4
325.07053	2.2
343.08157	26.5
344.08615	2.4
355.08270	1.0
397.09579	0.8
415.10385	2.3
429.02905	0.9
433.11340	58.1
433.24478	16.1
434.11649	7.8
434.24442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.1
60.01726	0.5
61.01810	0.7
61.98824	100.0
63.02391	2.7
65.00316	4.8
70.13084	1.1
70.13461	0.8
71.01382	1.8
83.01376	3.5
83.61442	0.3
85.02949	0.6
86.31620	0.4
89.02441	2.0
90.12016	0.4
93.03448	7.8
93.03996	0.6
98.20564	0.8
99.11125	0.4
101.02444	1.0
102.98678	0.4
107.01382	12.0
110.12051	0.4
113.02451	0.7
117.03493	0.4
119.05014	34.6
121.02959	0.6
123.04534	0.5
125.02427	1.2
136.01613	0.6
137.02467	2.4
145.02922	1.9
149.02396	0.5
151.00354	39.6
151.24091	0.4
164.01173	0.6
165.01883	1.8
165.05528	0.5
169.01337	0.6
175.00351	1.4
177.01901	5.6
185.05852	0.4
187.03957	0.6
193.01463	0.8
227.06894	0.5
240.04036	1.1
241.04498	0.7
268.03711	11.6
269.01059	0.8
269.04114	26.6
270.04807	8.0
271.06085	95.6
295.06046	1.0
311.05453	0.4
313.07108	1.6
322.99927	0.4
353.27673	0.4
359.79803	0.4
397.14999	3.2
432.10092	27.4
433.10971	3.4
456.92975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0772
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.20140	0.4
52.55634	0.4
59.01367	3.7
65.00321	0.6
71.01371	2.0
71.62108	0.8
83.01379	1.2
83.43631	0.4
85.06570	5.2
89.02440	0.7
101.02403	0.9
107.01378	1.9
108.02152	1.0
109.02937	0.7
113.02448	0.4
113.06117	0.4
115.07628	1.4
121.02937	1.1
125.02397	0.5
126.59666	0.4
127.07619	1.3
131.07129	25.5
135.00833	0.9
148.01662	1.5
151.00345	6.5
163.00418	1.9
164.01166	0.6
173.08192	2.3
178.99844	3.3
198.03171	0.4
199.03967	0.5
203.09198	0.4
211.03867	0.6
226.02689	1.1
227.03528	2.1
243.00394	0.5
243.02928	9.7
244.03316	0.9
245.04482	1.1
254.02200	2.5
255.02948	22.3
256.03345	1.7
271.02441	50.8
272.02902	4.4
273.03931	0.7
283.02469	0.5
299.02127	1.0
300.02713	100.0
301.03406	26.4
301.06259	0.3
302.03839	1.1
433.07690	63.2
433.16574	11.9
434.07971	5.4
434.17563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12152	0.4
58.97516	0.4
59.01374	22.2
60.01700	1.3
61.01774	0.8
61.98824	100.0
69.61509	2.5
71.01379	3.2
73.02959	0.6
77.90991	0.4
83.01375	0.4
85.02954	1.2
89.02425	2.4
96.96075	0.5
99.00867	0.5
101.02456	2.7
113.02426	2.1
117.03506	1.0
117.97276	0.6
119.03498	1.2
119.04985	0.6
121.02967	3.9
125.02444	0.9
145.02957	3.8
146.03256	0.9
151.00313	0.4
161.04526	1.1
162.04933	0.5
163.04037	0.8
187.04054	0.4
193.74597	0.4
197.11647	0.5
203.03564	0.5
229.05174	0.7
253.05109	0.5
268.03714	0.5
269.04221	1.8
270.04691	0.5
271.05994	0.6
308.08344	0.6
372.21030	1.8
373.12903	1.4
373.18588	0.8
397.15213	0.9
415.14130	0.7
418.12842	0.4
432.10178	1.3
433.15628	2.5
433.24646	0.9
443.32465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70766	0.3
57.03431	0.3
58.99594	0.6
59.01374	18.3
60.01704	1.3
61.01799	1.1
61.98824	100.0
63.02414	0.4
65.00328	0.3
69.03450	0.5
71.01379	3.7
71.63270	0.4
72.99323	0.7
73.02937	0.8
81.03455	0.3
83.01396	1.2
85.02932	1.6
87.00894	0.7
87.77909	0.2
89.02427	3.0
90.02769	0.3
93.03465	0.5
96.95998	0.6
97.02915	0.3
99.00874	0.4
99.04523	0.4
101.02432	2.2
102.98602	2.7
106.09229	0.3
107.01404	1.1
113.02445	1.2
117.03458	2.2
118.03809	0.3
119.03500	1.1
119.05028	1.0
121.02964	0.7
122.40131	0.3
123.04552	0.6
125.02434	5.8
130.04317	0.3
137.02444	0.4
143.03473	0.3
144.87440	0.3
145.01836	0.6
145.02951	9.0
149.02377	0.5
150.02774	0.4
151.00403	1.5
152.00693	0.8
161.02385	0.3
161.04561	0.9
163.03981	1.2
167.03410	0.6
173.05733	0.3
179.05557	0.3
191.05695	0.6
192.05922	0.5
197.05586	0.4
201.05385	0.4
211.03964	0.6
212.04399	0.9
226.05708	0.6
239.03502	0.7
240.03976	2.6
241.04538	2.3
252.13152	0.9
268.03717	21.8
269.04102	52.0
270.04785	13.6
271.02448	0.4
271.05310	0.6
271.19125	0.3
283.04843	2.2
284.06363	0.4
284.34799	0.3
287.07715	0.5
300.02631	1.0
307.08218	2.2
312.05832	0.6
313.06851	0.3
329.13934	0.8
397.14920	3.0
432.10068	50.7
433.10666	4.5
433.19443	0.5
433.24335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	27.2
59.22324	0.3
60.01707	1.4
61.01794	1.0
61.98823	100.0
67.86042	0.4
70.17129	1.8
70.85744	0.3
71.01378	4.8
73.02934	1.0
79.80914	0.4
83.01379	0.5
85.02955	1.7
87.00861	0.5
89.02443	2.7
93.03463	0.4
95.01370	1.0
99.00867	0.4
101.02445	2.2
109.02956	0.8
113.02473	1.3
117.03472	1.2
117.97315	0.8
119.03514	1.1
119.04988	0.9
120.99660	0.5
121.02960	3.7
121.55549	0.4
123.00891	0.6
125.02454	0.7
139.00375	0.5
145.02948	4.9
146.03368	0.4
151.00320	0.7
159.03113	0.4
161.04575	1.0
163.03966	0.6
165.05586	0.4
166.02773	0.7
177.01906	0.8
178.02707	0.5
179.05655	0.5
181.04962	0.4
191.05609	0.5
193.05046	0.4
197.11809	0.8
203.03493	0.9
218.05788	0.8
221.63089	0.4
229.05054	1.4
233.08269	0.4
253.05215	0.5
268.03735	0.5
269.04239	1.9
271.06219	0.9
282.20966	0.4
300.02899	0.6
358.10684	0.6
372.20944	0.8
373.13107	1.8
373.18665	1.2
397.14960	1.2
415.14056	0.6
418.13077	0.6
432.10239	1.3
433.15439	4.4
433.24597	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01703	1.0
61.66716	0.5
61.98824	0.8
63.97295	0.4
64.09081	0.3
64.64085	0.4
69.38634	0.8
69.39035	2.5
71.01375	4.5
72.99306	0.6
73.02924	0.5
76.41164	0.4
83.01398	0.8
85.02964	1.5
87.00867	0.8
89.02441	5.5
93.03424	2.0
96.96033	1.3
99.00925	0.5
100.30968	0.4
101.02443	2.5
107.32975	0.5
111.00883	0.5
113.02443	2.5
119.03488	2.5
123.00850	3.7
125.02447	3.5
136.96854	0.4
138.03236	2.2
139.03940	0.5
139.68697	0.5
140.01111	0.4
145.02994	0.4
149.04623	0.4
161.02469	0.5
161.04630	1.2
173.04539	1.0
179.05659	1.8
191.05595	5.4
213.09048	0.5
253.54674	0.4
257.08276	1.7
311.05490	0.5
371.13663	1.0
371.24841	0.5
431.12616	1.6
431.23187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01711	2.1
61.98829	10.4
70.01448	3.7
70.01865	2.3
78.95892	10.2
96.96901	1.5
114.84462	1.3
117.03445	2.6
119.05041	6.2
122.49686	1.5
145.02957	20.9
152.99570	16.6
163.03951	4.6
208.99194	1.2
253.21613	3.7
261.64145	1.2
268.03787	2.0
271.22742	38.5
272.23090	4.6
311.35135	1.3
313.23816	40.6
314.24228	2.2
317.24734	2.4
337.21640	1.6
369.28021	2.7
431.09958	1.8
431.24033	5.9
431.30029	1.1
431.31839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31966	0.3
59.01381	2.0
61.98822	0.6
62.96402	0.3
70.01151	0.9
70.01579	0.6
71.01376	0.3
75.00871	0.6
78.95898	72.4
83.73138	0.2
94.05171	0.2
96.12675	0.2
96.96952	5.1
98.20600	0.4
150.98022	1.9
152.77673	0.2
152.82030	0.3
152.99574	100.0
153.99940	1.6
161.02251	0.3
171.00610	2.9
181.99257	0.3
192.68773	0.3
205.94736	0.3
249.82452	0.3
268.03613	0.3
277.21716	1.0
431.21951	14.1
431.33783	0.5
432.22321	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	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03434	0.8
58.00577	0.5
59.01372	100.0
60.01698	1.2
61.01809	0.8
61.98821	0.9
63.66948	0.4
69.40639	0.8
69.41044	2.4
71.01378	11.6
72.01702	0.5
73.02951	3.2
78.30189	0.4
83.01389	1.0
84.62648	0.4
85.02940	5.0
86.20925	0.5
87.00841	0.7
89.02437	5.8
90.02790	0.8
93.03432	0.9
95.01374	0.7
98.20648	0.9
99.00893	1.4
99.04559	0.7
101.02431	9.7
113.02435	6.5
117.03471	2.0
117.97316	1.8
119.03506	2.2
119.05013	5.0
132.05817	0.6
133.06601	1.9
143.03462	1.1
145.02946	6.0
150.59406	0.4
159.02983	1.3
159.04509	1.8
161.04573	7.4
161.06099	4.1
161.13313	0.6
162.13730	0.5
163.03989	5.0
177.05603	1.5
179.05522	0.7
181.06926	0.8
187.03984	7.3
205.05042	4.8
205.12354	1.0
206.12677	0.6
207.12769	0.5
209.15382	0.7
235.06180	1.6
249.11360	0.8
250.11618	0.9
251.12115	1.3
265.07040	0.6
268.03735	6.8
269.04483	2.0
325.09457	1.3
371.20706	17.1
372.21069	1.0
431.09467	5.1
431.18652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.22144	0.3
57.03442	0.3
59.01376	29.9
61.98829	2.3
69.44850	1.5
69.45258	0.7
71.01379	4.1
73.02949	0.9
75.00870	0.3
83.01399	0.3
83.16596	0.2
85.02936	1.6
89.02432	2.2
93.03455	3.6
95.01404	0.3
99.00893	0.6
99.04497	0.4
101.02436	2.7
113.02438	1.4
116.33745	0.2
117.03459	21.5
118.03761	0.4
119.03564	0.6
119.05015	10.7
121.02946	10.9
123.04517	10.8
123.05437	0.3
124.04830	0.5
143.03468	0.3
145.02942	100.0
146.03282	4.2
159.04436	0.6
161.04547	1.9
161.05836	0.4
163.03998	10.3
164.04344	0.5
179.05562	0.3
187.03967	1.4
207.13826	0.7
227.07132	0.6
251.12825	2.5
252.13277	0.4
268.03683	1.0
269.04489	0.3
307.08194	35.2
308.08575	2.8
371.20746	3.5
372.20798	0.3
417.04385	0.3
431.13724	7.6
431.19028	0.9
432.13980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01703	1.0
61.66716	0.5
61.98824	0.8
63.97295	0.4
64.09081	0.3
64.64085	0.4
69.38634	0.8
69.39035	2.5
71.01375	4.5
72.99306	0.6
73.02924	0.5
76.41164	0.4
83.01398	0.8
85.02964	1.5
87.00867	0.8
89.02441	5.5
93.03424	2.0
96.96033	1.3
99.00925	0.5
100.30968	0.4
101.02443	2.5
107.32975	0.5
111.00883	0.5
113.02443	2.5
119.03488	2.5
123.00850	3.7
125.02447	3.5
136.96854	0.4
138.03236	2.2
139.03940	0.5
139.68697	0.5
140.01111	0.4
145.02994	0.4
149.04623	0.4
161.02469	0.5
161.04630	1.2
173.04539	1.0
179.05659	1.8
191.05595	5.4
213.09048	0.5
253.54674	0.4
257.08276	1.7
311.05490	0.5
371.13663	1.0
371.24841	0.5
431.12616	1.6
431.23187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2199
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.00806	0.3
51.75605	0.3
59.01371	1.7
61.98836	0.3
64.86784	0.3
65.66866	0.4
66.45689	0.3
70.99615	0.7
78.95898	56.6
96.96952	6.4
119.04921	0.3
138.01552	0.3
150.98003	1.9
152.99576	100.0
153.99907	1.6
163.14424	0.4
171.00630	4.6
277.21759	0.6
334.28656	0.3
431.21942	8.0
432.22635	0.7
459.19986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
57.03432	1.6
59.01372	25.4
61.98815	3.5
69.32462	6.4
71.01376	15.1
73.02943	9.4
75.00850	1.6
78.27776	0.6
79.90630	0.6
80.02120	0.7
83.01364	2.7
85.02944	9.1
87.00854	1.8
88.98761	0.8
89.02412	2.4
90.57134	0.8
95.01336	1.3
95.04967	1.2
95.25227	0.6
96.95977	1.3
97.02927	0.8
99.00839	2.3
101.02428	15.0
101.06046	1.1
105.75992	0.6
107.01338	0.9
111.00807	0.9
113.02439	6.6
119.03475	1.1
119.04962	0.7
121.02955	1.4
123.04427	1.0
125.02357	1.6
132.02090	0.8
133.02045	1.0
133.02946	15.4
135.04518	3.7
138.25494	0.8
143.03439	1.1
145.02901	1.5
149.02406	1.1
151.00299	2.6
151.01375	0.7
153.09206	1.4
159.02992	1.1
161.02434	26.2
161.04445	5.2
162.02676	0.9
163.03893	0.9
163.11346	3.6
165.05534	0.8
175.03923	2.0
179.03401	1.7
181.12323	80.5
182.12656	4.2
194.89969	0.7
199.03908	1.4
207.10100	1.1
223.08214	9.3
225.11281	7.2
238.67859	0.7
240.06360	0.7
268.03674	5.0
269.04285	2.1
269.17383	0.9
285.04013	53.8
285.80292	0.7
286.04205	2.8
371.20306	0.9
395.11133	1.2
431.09204	2.4
431.13394	11.9
431.18939	100.0
432.14096	1.4
432.19293	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	431.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03431	0.4
59.01373	100.0
60.01706	0.8
69.66520	1.0
69.66940	0.4
71.01373	3.6
73.02950	1.1
80.99491	0.2
83.01399	0.5
85.02938	1.5
89.02437	0.4
95.01424	0.3
99.00888	0.6
101.02433	3.1
113.02411	1.4
126.06146	0.2
129.57925	0.2
145.02983	1.0
146.03394	0.2
152.77715	0.2
159.02969	0.4
161.02432	0.5
161.04518	3.1
161.05661	0.3
181.06944	1.3
191.73421	0.2
254.71907	0.2
268.03714	0.3
279.91907	0.2
285.21014	0.2
371.16995	2.8
371.20688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54026	1.1
54.24671	1.2
58.00578	2.3
59.01371	46.3
60.01706	1.4
69.51595	2.5
69.52007	6.0
69.73786	1.0
71.00983	1.6
71.01370	21.9
72.99299	1.5
83.01377	1.6
85.02961	5.1
88.98798	2.2
89.02437	22.5
93.03442	1.3
95.01392	2.4
99.04503	23.8
100.04830	1.9
101.02426	10.0
113.02410	6.8
117.03432	3.7
119.03477	5.6
119.05043	2.4
120.99585	1.3
143.03426	1.2
145.02939	15.2
154.72044	1.0
158.58347	1.0
163.03961	2.6
179.05725	1.1
189.12791	4.2
205.12280	2.7
207.13901	26.1
208.14224	2.0
249.11143	2.2
250.11667	1.5
251.12862	100.0
252.13113	6.7
265.06885	1.1
269.08075	1.4
285.04016	1.5
307.08249	4.9
324.27493	1.4
431.13614	2.8
431.19016	43.6
432.19324	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82447	1.0
55.01838	1.0
57.03431	2.2
58.00571	2.2
59.01376	82.6
61.98794	3.7
63.92646	1.1
69.03435	2.0
71.01380	31.4
71.63049	1.7
72.99288	3.2
73.02927	5.5
81.20281	1.0
83.01354	1.8
85.02949	13.8
85.28506	1.1
87.00839	1.6
87.69556	1.2
89.02440	26.1
95.01352	2.6
96.95970	3.1
99.03897	1.8
99.04509	31.6
101.02434	14.7
103.03957	4.3
109.06580	1.2
113.02430	10.6
114.07661	1.1
117.03426	1.8
119.03515	7.6
119.05023	1.2
125.02400	1.6
127.07635	2.5
137.06015	2.7
139.11223	1.4
143.03421	1.7
145.02974	11.0
151.03941	2.1
153.09221	1.5
161.04454	2.9
161.05760	1.3
163.03943	2.1
165.09140	3.0
171.11722	1.2
179.05557	2.8
183.10216	6.0
187.18965	1.2
189.12865	5.6
197.11740	2.9
205.05008	2.6
207.12050	1.5
207.13887	26.7
208.14241	2.1
209.08192	8.6
225.11165	5.0
251.12857	100.0
252.13174	8.0
265.09164	1.6
268.03586	5.0
269.13809	2.6
284.03186	9.6
285.03845	5.2
300.20898	1.2
431.10162	13.1
431.18857	74.4
432.19467	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	431.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42147	0.2
55.01862	0.2
57.03447	0.2
59.01375	6.8
61.98820	0.7
69.37703	0.3
69.38109	1.3
71.01378	2.2
72.99283	0.2
73.02934	1.0
83.01371	0.6
84.65674	0.2
85.02949	1.2
89.02435	0.6
89.03963	0.5
90.09583	0.2
92.93009	0.2
93.03448	0.8
95.05024	0.3
99.00862	0.3
101.02438	1.5
105.03469	0.8
107.05017	0.6
109.02958	0.4
113.02463	0.7
117.03435	1.2
119.03558	0.4
119.05001	1.0
120.99663	0.2
121.02934	0.6
123.04496	0.4
125.02431	0.3
128.22861	0.2
132.02156	1.8
133.02942	34.7
134.03409	1.1
135.04509	13.5
136.04854	0.4
137.02438	1.4
139.04008	3.2
145.02991	1.0
149.02451	0.3
149.06090	0.3
151.03964	0.3
151.86208	0.2
161.02423	100.0
162.02760	4.1
163.03967	1.5
177.05545	0.5
179.03476	7.2
180.03845	0.2
191.05569	0.4
197.51053	0.2
203.07080	0.4
205.05035	0.8
215.07156	0.3
235.06215	0.4
243.06316	0.2
245.08142	0.3
265.07062	0.8
268.03775	1.0
269.04459	0.5
272.86227	0.2
281.06717	0.3
289.07162	0.6
323.07574	0.3
325.09253	0.3
342.62842	0.2
395.11298	1.9
431.13425	52.7
432.13715	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	431.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05412	0.4
57.98874	0.4
59.01374	100.0
61.81330	0.4
61.98819	3.5
62.35128	0.4
69.06297	0.4
69.95975	0.7
69.96370	1.0
71.01373	1.7
73.02935	0.6
89.02444	1.0
93.03426	0.5
98.19972	0.7
99.04501	0.4
101.02423	1.1
102.98621	0.6
107.90874	0.4
109.02956	1.0
123.04523	0.7
125.02460	0.7
133.05060	0.7
139.02274	1.6
151.04024	0.7
153.01904	1.0
161.02428	3.5
161.04503	0.8
176.04807	1.9
179.03450	6.2
191.07181	1.5
194.05794	6.7
209.08163	19.8
210.08414	0.8
244.38458	0.4
397.00443	0.5
431.11078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.33568	0.3
60.01699	1.0
61.98808	0.6
69.55580	2.3
70.10494	0.3
71.01359	0.6
79.03382	0.3
88.28048	0.3
101.02459	0.5
137.02538	0.4
139.02242	0.4
151.04010	0.8
161.02440	2.9
161.04593	0.5
163.33635	0.3
176.04820	2.1
179.03467	5.4
191.07193	1.1
194.05814	6.3
209.08173	17.4
210.08531	0.8
342.15524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1554
Annotation	8-O-Acetylmussaenoside
Peak:m/z	Relative Intensity
55.01870	2.1
57.03444	17.1
58.99599	3.6
59.01374	100.0
61.98828	3.1
71.01377	46.5
71.62181	1.2
72.99295	1.7
73.02946	16.1
75.00883	2.4
83.01387	9.8
85.02945	24.7
87.00873	4.6
89.02437	19.4
93.03426	1.4
95.01389	3.5
96.96001	2.4
97.02950	5.2
99.00887	7.9
99.04505	8.7
101.02429	39.9
102.98606	9.1
108.02147	1.3
109.02944	2.8
111.00864	2.4
113.02444	23.0
114.02802	1.3
119.03497	3.9
120.99635	4.0
121.02930	2.6
123.04511	6.4
125.02430	43.8
129.01944	1.6
131.03519	2.2
136.01712	2.6
137.02383	1.7
139.02237	23.7
143.03493	3.8
149.04512	1.9
151.03976	3.3
153.01932	3.4
153.05544	2.9
159.03003	2.9
161.02417	4.5
161.04538	19.7
165.05525	7.8
167.03474	4.3
176.04741	2.2
179.03488	2.0
179.05585	1.5
191.07031	2.1
194.05714	2.3
195.02962	4.5
207.06700	2.0
209.08134	8.8
209.71880	1.3
221.06532	1.9
225.04025	12.6
253.07063	1.5
255.05078	3.8
269.10251	25.1
322.17642	1.5
389.09134	3.8
431.10794	9.5
431.15781	33.9
432.15665	3.6
449.26392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18316	0.2
55.01868	0.2
57.03437	0.3
57.31785	0.2
59.01371	2.4
61.98837	0.4
65.62647	0.2
69.47734	0.6
69.48146	1.1
71.01368	1.6
71.38581	0.2
73.02937	0.7
83.01369	0.5
85.02947	1.1
88.16802	0.2
89.02429	0.3
93.03448	0.3
95.05031	0.3
99.04543	0.3
101.02426	1.4
105.03445	0.5
107.05019	0.3
109.02938	0.4
113.02468	0.4
117.03442	0.7
121.02906	0.3
123.04521	0.8
126.72065	0.2
132.02124	1.8
133.02942	38.0
134.03653	1.3
135.04512	12.0
136.04840	0.7
137.02434	0.8
149.02541	0.3
161.02425	100.0
162.02768	4.5
178.02689	0.3
179.03481	6.5
185.16997	0.2
202.25363	0.2
203.07069	0.3
225.16472	0.2
245.08176	0.6
289.07245	0.5
395.11404	2.2
431.13400	55.3
432.13724	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	431.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.5
60.01680	0.2
61.98792	0.6
67.33115	0.2
69.49643	0.3
69.50055	1.1
71.01380	1.8
72.99276	0.2
73.02905	0.5
74.99078	0.2
75.00859	0.2
79.61931	0.2
83.01342	0.3
83.44787	0.2
85.02956	0.9
85.03398	0.2
89.02436	0.9
93.02922	0.3
93.03448	3.7
96.95976	0.4
101.02431	1.4
102.98598	0.2
109.06567	0.2
111.37364	0.2
113.02438	1.4
116.02618	0.2
117.03455	20.6
118.03783	0.5
119.05013	11.6
120.05328	0.4
120.99608	0.3
121.02944	10.2
122.03243	0.3
123.04511	10.3
124.04824	0.2
131.04996	0.3
133.06567	0.5
137.24670	0.2
138.49742	0.2
141.61160	0.2
143.03467	0.3
145.02936	100.0
146.03278	4.2
151.00301	0.2
159.04494	0.7
161.04561	0.8
161.06062	1.5
162.03210	0.2
163.03989	13.1
164.04289	0.7
170.03638	0.2
177.05527	0.6
181.06898	1.2
187.04004	1.7
191.05598	0.4
205.05035	1.5
235.00812	0.2
235.06160	1.3
255.02983	0.3
265.07104	2.0
268.03775	2.7
269.04440	1.2
283.06024	0.2
284.03275	0.4
285.04068	0.4
307.08179	34.7
308.08484	2.6
325.09317	0.2
371.20682	0.8
395.13748	0.3
431.14011	7.7
431.22333	1.0
432.14102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.8
61.98822	2.2
71.01380	2.2
71.63245	0.4
73.02917	0.5
77.80957	0.2
83.01389	0.3
85.02921	1.1
87.00871	0.3
89.02433	1.5
89.02906	0.2
93.03452	4.6
95.01339	0.3
96.95978	0.6
99.00861	0.6
99.04517	0.3
99.63493	0.3
101.02441	1.4
113.02470	1.2
115.03994	0.4
117.03456	23.5
118.03792	0.7
119.03506	0.7
119.05016	9.5
120.05321	0.4
121.02945	17.8
122.03300	0.6
123.04514	22.0
124.04872	0.5
125.02428	0.5
133.02919	0.5
135.04549	0.5
142.06677	0.3
145.02937	100.0
146.03288	4.6
153.09158	0.3
159.04474	0.5
161.02458	2.2
161.06042	0.5
163.03986	9.1
164.04359	0.4
171.57796	0.2
183.10373	0.3
187.03998	0.9
191.05670	0.7
207.13901	0.2
247.06134	0.7
251.12933	1.3
268.03824	1.6
269.04526	0.5
269.17581	0.5
285.03998	0.3
307.08191	42.6
308.08502	3.4
308.11542	0.3
339.46964	0.3
354.42395	0.3
401.68430	0.3
431.13766	11.7
431.18906	1.0
432.14056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
59.01374	9.2
61.98800	0.6
68.46436	0.2
69.79076	1.3
71.01378	1.8
73.02919	0.4
80.80181	0.2
85.02938	1.0
89.02438	0.5
93.03442	3.7
98.20641	0.4
99.00891	0.2
101.02413	1.0
113.02444	1.1
117.03455	20.2
118.03767	0.5
119.05008	10.3
120.05349	0.4
121.02943	10.4
122.03296	0.4
123.04507	9.7
124.04842	0.3
131.05002	0.3
133.06458	0.2
136.20239	0.2
145.02934	100.0
146.03271	3.9
147.78267	0.2
158.03661	0.2
159.04491	0.9
161.04504	0.5
161.06061	0.6
162.03204	0.3
163.03987	11.8
164.04312	0.4
177.05557	0.4
181.06866	0.4
187.03964	1.4
191.05484	0.2
205.05048	0.7
206.75362	0.2
235.06154	0.5
265.07242	0.8
268.03799	1.3
269.04510	0.5
275.35336	0.2
276.51028	0.2
307.08185	31.7
308.08417	2.0
371.20737	0.9
431.13629	7.8
431.22964	0.5
432.13800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21483	0.4
54.34758	0.5
59.01378	0.6
60.99303	13.8
63.62477	0.4
68.21673	0.4
71.01405	0.6
71.61091	0.4
71.61497	0.5
87.00861	0.7
88.98800	100.0
89.02435	5.4
89.99127	1.1
96.95991	0.5
109.02909	0.5
120.06499	0.5
244.78020	0.5
247.63812	0.5
341.10977	1.5
431.12094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
57.82228	0.3
58.99599	12.3
59.01376	21.0
66.35495	0.3
70.63071	1.1
71.01376	3.6
72.99302	0.7
73.02947	1.3
74.99093	6.0
78.42217	0.3
79.95738	0.5
82.95409	0.3
83.01383	1.1
85.02938	1.5
85.93770	0.3
87.00866	6.9
88.98820	0.6
89.02412	2.0
90.80544	0.4
91.42500	0.3
93.03458	1.9
96.96000	4.0
101.02430	3.8
102.98589	40.1
103.98952	0.6
107.05072	0.4
111.00847	0.5
113.02425	2.0
117.00153	0.7
117.05544	0.6
119.03488	0.6
120.99645	15.1
123.00931	0.7
124.01659	1.6
125.02437	4.2
129.01932	2.1
129.05560	0.6
131.28134	0.4
137.00674	3.2
137.02414	0.8
139.02226	100.0
140.02574	3.3
143.07104	0.8
149.99542	1.3
151.03996	0.5
161.04556	1.6
163.00650	2.5
165.03790	4.2
168.00624	3.1
169.01430	0.4
177.02228	1.4
181.03297	1.2
209.02777	2.6
227.03806	4.3
269.04880	6.2
269.10245	1.5
270.05051	0.6
283.06281	0.4
301.07571	3.5
318.36240	0.4
321.01031	0.4
371.08041	4.5
378.47772	0.4
389.09064	13.3
390.09262	1.4
431.10196	33.4
431.15741	5.6
432.10556	2.7
432.15717	0.7
440.26651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0977
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
50.42241	0.4
53.09098	0.3
55.84923	0.3
59.01376	3.6
61.98828	1.7
63.02400	0.6
65.00342	0.4
69.41141	2.9
71.01376	0.5
76.16009	0.3
83.01398	1.1
89.02431	0.7
93.75910	0.3
97.12921	0.3
101.02379	0.5
107.01374	1.7
117.03492	1.2
121.02971	0.4
130.04199	0.3
132.91786	0.3
141.94658	0.4
145.02969	2.5
148.01654	0.7
149.02429	1.4
149.99577	0.7
151.00336	3.6
163.03983	0.3
171.04533	0.7
172.05287	1.0
184.05254	0.4
195.04457	0.6
196.05263	0.7
199.03931	0.5
200.04791	0.5
211.03993	1.3
212.04730	1.0
219.32097	0.3
225.05519	0.6
227.03554	0.4
239.03479	2.8
240.04210	3.7
241.04607	0.4
259.93567	0.3
267.03003	1.2
268.03738	100.0
269.04404	30.6
270.04770	2.2
281.04443	0.4
283.06036	0.7
307.08466	0.4
311.05634	0.9
431.09750	79.8
432.04651	0.5
432.10144	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	431.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99587	0.8
59.01368	8.2
60.01682	0.6
71.01376	4.7
72.99294	0.7
73.02929	1.9
77.03970	2.7
77.04378	0.6
79.01898	1.5
83.01363	0.7
85.02950	1.8
87.00863	1.1
89.02433	2.4
93.03465	3.7
95.05052	0.6
96.96013	0.8
99.00856	0.7
101.02431	2.4
102.98597	4.4
105.03448	1.2
113.02443	1.4
117.03452	12.2
118.03794	0.7
119.03498	1.1
119.05012	1.5
121.02958	4.6
123.56140	0.5
125.02394	0.7
135.04536	3.4
141.01990	1.0
145.02982	0.9
149.02446	1.9
159.04507	2.4
161.02434	6.9
161.04550	0.6
163.00333	1.2
163.04044	3.9
165.01866	3.1
173.06065	0.9
179.05573	0.7
180.05916	1.1
181.75153	0.5
183.04459	1.1
183.08046	0.8
191.03474	1.6
193.01474	0.7
196.05353	0.9
197.06082	1.2
203.03368	0.7
205.49414	0.5
215.07176	0.9
224.04826	1.1
225.05513	0.6
239.07127	3.3
239.81615	0.6
253.04999	1.0
254.05742	0.9
268.03720	3.3
269.04510	6.7
279.06509	0.6
281.04547	8.0
282.05215	4.6
283.06104	63.3
284.06473	4.0
293.04565	2.1
295.06104	5.2
296.06479	0.6
309.03952	0.8
311.05588	100.0
312.05942	9.0
314.04221	2.1
323.05573	8.4
324.05817	1.0
324.31665	0.7
325.07111	0.7
341.06616	22.4
342.06915	2.3
353.06696	1.9
413.08713	1.9
431.09784	63.3
432.10052	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	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71372	0.8
59.01372	100.0
61.98817	4.5
71.01381	1.0
71.62910	1.1
89.02440	1.0
135.78102	0.9
193.93617	0.9
204.89328	1.0
246.09312	0.9
264.10602	0.9
310.72183	0.9
337.00946	0.9
369.14978	1.2
396.82407	1.0
429.29840	2.3
429.36789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.9
59.01374	100.0
60.01712	6.2
61.01797	0.7
61.98820	1.1
64.14272	0.6
70.90071	1.3
71.01378	17.3
72.01714	2.6
72.99306	0.6
73.02977	0.7
83.01392	1.0
84.55033	0.6
85.02912	2.9
86.03318	1.0
87.00904	1.1
89.02438	21.3
90.02769	3.0
95.01385	1.1
96.96008	0.9
98.20517	0.6
99.04496	1.3
100.04856	0.8
101.02431	8.6
102.02798	2.0
113.02438	7.6
114.02785	1.7
119.03487	9.8
120.03860	1.7
121.06633	0.8
131.03523	0.7
143.03528	2.0
145.02969	2.1
158.66507	0.6
161.04543	2.4
161.13376	3.9
162.13686	3.9
179.05600	3.5
180.05980	1.0
188.11581	0.6
205.12326	6.2
206.12628	9.5
225.11348	0.8
249.11282	6.4
250.11638	14.0
251.12184	0.8
268.03769	10.7
269.04507	3.2
307.45914	0.7
395.13641	0.7
430.17944	6.9
431.09827	8.5
431.18918	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37060	0.7
55.01881	0.7
56.27517	0.5
58.00592	1.2
59.01376	100.0
60.01708	6.4
61.01823	0.8
61.98825	1.4
70.15421	2.7
71.01379	19.1
72.01722	2.7
72.99316	1.4
73.02956	1.4
81.07102	0.8
82.98927	0.6
83.01409	0.9
83.05021	0.6
84.01761	0.6
85.02933	4.2
86.03277	0.7
87.00890	1.1
89.02437	23.8
90.02757	3.2
95.01402	1.6
99.04520	1.3
100.04890	0.8
101.02438	9.3
102.02804	1.8
113.02435	7.8
114.02795	2.1
119.03505	10.2
119.04932	0.7
120.03853	2.7
125.05167	0.6
131.03438	0.8
143.03514	1.6
145.02966	2.8
149.04529	0.6
161.04613	2.0
161.13367	7.3
162.13698	8.9
163.04002	1.0
179.05579	3.9
180.05966	1.3
197.11784	0.9
205.12300	10.4
206.12650	19.0
207.13014	0.8
225.11366	0.6
240.04280	1.1
249.11288	8.9
250.11633	15.3
268.03735	14.3
269.04538	4.2
370.10593	0.7
395.13492	1.6
430.17786	7.5
431.09753	11.8
431.18643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91549	1.2
58.36782	1.3
59.01373	10.1
60.01697	1.4
61.98824	100.0
71.62695	1.8
88.90039	1.2
96.96003	42.2
101.95020	1.3
105.80346	1.3
150.13249	1.4
159.10295	1.4
268.03836	2.1
337.25778	1.6
359.29553	2.4
431.31375	6.2
450.02109	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02483	0.4
59.01377	100.0
59.35785	0.4
60.01718	1.0
61.98827	1.0
66.33451	0.4
69.65583	0.9
69.65991	1.6
89.02451	0.8
91.04000	2.7
92.44569	0.4
96.96020	1.6
159.75851	0.5
182.92522	0.4
187.96144	0.6
195.13945	1.2
277.21899	1.2
295.22763	13.9
296.23199	1.6
315.25595	0.5
404.29849	0.4
429.26456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32432	0.3
59.01374	100.0
60.01692	1.0
61.98835	1.2
69.65824	0.7
69.66206	2.3
71.01371	0.3
89.02443	0.4
90.91128	0.4
91.04021	0.8
96.96026	1.5
105.63213	0.4
130.74196	0.4
161.50195	0.4
171.10291	0.6
185.97643	0.3
226.47101	0.3
252.10144	0.4
277.21664	1.0
295.22745	7.3
296.23126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44830	1.0
59.01373	100.0
60.01714	1.6
61.98814	4.8
65.32450	0.7
67.57069	0.7
68.99568	6.6
70.79015	0.8
70.94690	1.4
70.95014	0.9
71.01368	1.4
72.18977	0.7
79.95732	1.0
89.02452	1.7
95.04921	0.8
96.96004	52.4
99.00870	1.8
112.98550	8.1
113.98476	0.8
116.35163	0.7
123.88379	0.7
129.12164	0.8
150.00117	1.0
152.91788	1.6
167.90482	1.7
171.10248	1.3
177.53180	0.9
194.45157	0.8
203.06757	0.8
275.20120	4.9
277.21729	2.1
278.11343	2.0
295.22772	5.5
315.19366	5.6
359.18295	1.4
369.13248	3.5
393.22757	3.3
394.15375	1.3
411.11691	2.4
429.28561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91593	0.4
58.00577	0.7
59.01375	100.0
60.01697	1.1
70.14121	1.0
70.14507	0.8
71.01375	11.5
71.01756	0.7
83.01401	0.6
85.02953	1.4
87.00896	0.7
89.02437	15.5
95.01410	0.7
101.02433	5.0
113.02440	4.3
119.03480	5.6
120.29446	0.4
131.03514	0.7
137.09744	0.6
143.03473	1.3
149.04543	0.6
161.04602	0.9
161.13387	0.6
167.03476	0.4
179.05595	3.5
184.06705	0.4
205.12280	2.0
249.11449	1.1
273.54480	0.4
353.66537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65254	0.5
58.00587	0.6
59.01375	100.0
60.01709	0.9
63.75662	0.5
69.52098	1.8
69.52517	2.0
71.01377	10.0
85.02954	2.2
87.00876	0.5
89.02435	16.0
99.04503	0.7
101.02441	5.8
113.02438	4.6
119.03488	6.7
131.03497	0.8
143.03526	0.9
149.04594	0.5
161.04558	1.1
161.13365	2.4
178.01787	0.4
179.05592	3.0
205.12334	5.5
249.11270	8.5
429.17279	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01373	0.4
59.01373	100.0
61.98826	0.4
69.66599	2.8
71.01372	5.5
78.58914	0.5
85.02947	0.6
89.02432	7.9
101.02438	2.5
104.78499	0.4
113.02449	2.8
117.03441	2.5
119.03506	3.7
119.05021	0.8
131.03510	0.5
137.02510	0.6
143.03481	0.4
145.02946	13.5
161.04625	0.8
163.04060	1.2
179.05638	2.5
253.52020	0.5
301.49670	0.5
393.15433	5.2
407.56314	0.4
429.21008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
58.00596	1.3
59.01373	100.0
60.01712	0.9
61.04956	0.2
61.31682	0.2
70.43027	0.5
71.01375	18.5
72.99306	1.1
73.02946	0.6
83.01376	0.5
85.02943	2.5
87.00879	1.2
87.33408	0.2
89.02435	27.9
90.02764	0.5
95.01382	0.9
95.48481	0.2
96.96001	0.7
97.02965	0.2
99.04530	0.2
101.02434	8.3
113.02438	7.0
113.03233	0.4
113.71731	0.2
119.03490	10.1
123.04501	0.3
125.02438	0.4
131.03481	1.3
133.02953	0.3
143.03479	2.4
149.02435	0.5
149.04543	0.9
151.00362	0.3
152.01154	0.2
154.79156	0.2
161.04544	2.0
162.04901	0.3
163.24162	0.2
167.03484	0.4
175.03986	0.3
179.05576	6.7
180.05975	0.3
189.12837	0.6
195.06487	0.3
205.12376	0.6
249.11252	0.9
256.03717	0.3
268.03772	0.2
269.04425	0.2
284.03241	6.0
285.03915	1.9
311.01575	0.2
367.26630	0.2
429.08224	7.5
429.17020	0.5
429.21585	0.3
430.08377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55053	0.4
52.13235	0.3
57.03453	0.5
58.00590	0.4
59.01373	100.0
60.01708	1.0
69.65028	0.8
69.65440	1.5
71.01377	6.7
85.02949	1.6
89.02437	9.6
96.96022	0.4
98.19791	0.4
99.00858	0.4
101.02436	3.2
113.02447	3.0
119.03487	2.8
122.13620	0.4
125.02432	0.7
143.03528	0.8
149.55186	0.4
151.81239	0.5
161.04576	1.6
164.69411	0.4
166.05026	0.6
179.05556	2.1
179.10753	0.6
184.15588	0.4
205.12445	0.5
214.79077	0.4
263.13608	0.4
269.04779	0.4
285.03992	0.6
302.98688	0.4
396.03992	0.4
429.08572	0.5
429.17563	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42270	0.4
54.80767	0.5
58.00595	0.7
59.01373	100.0
60.01717	0.8
69.59604	0.6
69.60007	1.9
71.01378	16.6
72.99309	1.1
73.02960	0.5
83.01373	0.5
85.02953	2.1
87.00885	0.6
89.02435	22.4
101.02430	8.2
106.83893	0.4
111.25887	0.4
113.02438	6.7
119.03496	8.9
131.03542	0.9
143.03499	1.9
149.04575	0.7
161.04616	1.7
161.13303	2.7
163.71788	0.4
179.05588	4.4
205.12215	4.4
249.11266	8.8
388.44424	0.4
408.33170	0.5
429.17377	3.1
430.18069	0.8
431.21252	0.4
440.02133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.5
59.01373	100.0
60.01706	1.1
61.98824	0.5
69.63049	1.4
71.01381	6.0
72.99312	0.5
73.02950	0.6
83.01357	0.3
85.02953	1.0
87.00863	0.6
89.02435	9.5
95.01373	0.4
96.82697	0.3
96.96012	1.1
98.20634	0.3
101.02441	3.0
109.02976	0.4
113.02433	2.4
118.98099	0.6
119.03495	4.0
121.02948	0.4
131.03561	0.3
137.02478	0.3
143.03502	0.4
149.04570	0.5
154.69420	0.2
161.04559	0.9
179.05600	2.4
376.02335	0.3
429.13419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.3
59.01374	100.0
60.01707	1.0
64.11980	0.3
69.42242	0.7
69.42651	1.6
71.01374	4.7
73.02930	0.3
83.01411	0.4
85.02947	1.3
85.06577	0.4
89.02435	5.4
95.01376	0.5
95.05013	1.7
96.96017	0.5
98.20623	0.6
101.02437	2.6
108.02152	3.9
109.02948	4.4
113.02439	1.9
114.85372	0.3
119.03475	2.5
121.02878	0.3
123.04513	0.8
125.02441	1.7
131.07124	2.0
137.02400	0.6
143.03508	0.5
145.02948	0.7
151.04008	0.3
152.01140	5.2
153.01932	2.0
157.05037	3.4
159.03186	0.3
159.04547	0.3
161.04591	1.1
165.01906	0.4
179.05589	3.1
203.07164	0.4
205.05112	0.3
245.08235	0.7
271.06171	0.8
289.07095	4.0
290.07922	0.5
358.95990	0.3
403.22803	0.3
429.13895	7.1
429.21011	0.5
430.14157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77605	0.4
58.00589	0.8
59.01375	84.9
60.01712	0.7
68.56131	0.4
69.03439	0.8
70.66983	1.4
71.01376	15.6
72.99313	1.2
73.02943	21.1
74.02477	0.9
80.91740	0.4
83.01379	4.4
85.02943	2.4
87.00872	1.8
89.02435	6.1
95.01402	0.8
96.95998	1.2
97.02970	0.5
98.95609	1.2
99.00877	1.0
99.04524	0.8
101.02437	15.6
106.53893	0.4
109.06663	0.5
113.02438	4.7
117.03442	0.4
119.03491	2.1
120.99651	0.6
121.02972	1.2
125.02420	1.4
131.03519	0.9
135.04503	0.8
137.02458	1.2
138.00218	0.5
143.03479	1.1
145.02916	0.7
147.08151	0.5
149.06187	0.4
155.03616	0.4
161.02469	0.5
161.04561	3.0
163.11272	7.1
164.11615	0.4
167.03578	0.5
168.00603	0.5
192.01292	1.2
207.10231	13.1
208.10544	0.5
369.15454	3.0
387.16541	8.9
387.21188	0.6
388.16809	0.8
429.17606	100.0
430.17987	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	429.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01376	85.2
60.01710	0.7
60.44995	0.5
61.98824	2.3
63.46941	0.5
69.31155	3.4
71.01379	15.7
72.99298	1.4
73.02942	22.0
74.03275	0.6
81.03469	0.6
83.01382	6.1
85.02912	2.4
87.00880	2.2
87.74199	0.5
89.02430	4.9
90.67938	0.5
93.03482	0.8
95.01371	1.0
95.05039	0.8
96.96005	4.4
96.96975	0.5
97.02922	0.8
98.20612	1.1
99.00881	1.0
99.04503	1.1
101.02434	16.9
108.02137	0.5
109.02969	1.0
109.06578	0.8
113.02468	4.0
113.81515	0.5
119.03507	1.1
119.05022	0.7
121.02942	1.6
123.04578	0.6
125.02439	9.5
129.28456	0.4
131.03497	0.8
133.02982	0.9
137.02454	1.8
143.03514	1.2
145.02879	0.8
147.08154	0.8
149.02458	1.1
152.01118	0.5
153.01913	1.1
160.01561	0.6
161.02415	1.8
161.04559	1.6
163.04057	0.5
163.11269	41.2
164.11612	2.0
165.05551	0.6
167.03452	1.1
175.04045	1.4
179.05602	0.5
191.03442	0.7
193.05013	0.7
207.10245	2.3
243.55791	0.5
315.07239	0.6
369.15497	4.2
387.16562	8.9
388.16916	1.1
411.16815	0.5
429.17667	100.0
430.17963	12.2
430.23532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89023	0.2
54.20014	0.2
54.91394	0.2
58.87046	0.2
59.01358	0.9
70.75993	0.5
99.00884	0.5
99.92574	5.4
100.92686	0.1
100.93348	3.9
115.92066	100.0
116.92075	4.0
116.92855	5.9
117.92604	0.3
132.92323	1.0
172.95459	4.6
173.95609	0.2
190.18234	0.2
200.88307	0.2
214.37738	0.2
255.23262	0.7
288.57126	0.2
302.67584	0.2
308.32718	0.2
350.89905	0.2
351.32022	0.2
355.15817	0.5
356.15994	0.2
371.15384	0.4
381.17572	0.9
411.18375	0.4
429.19449	5.0
429.33487	0.2
430.19568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1547
Annotation	Sesartemin
Peak:m/z	Relative Intensity
51.30434	0.2
59.01373	4.7
63.80011	0.2
69.57256	1.8
71.01364	1.5
72.99265	0.3
85.02938	0.6
89.02430	1.2
99.04484	0.3
101.02456	0.6
113.02420	0.5
117.03457	28.9
118.03785	0.7
119.05013	11.1
120.05323	0.3
121.02933	0.5
137.02396	0.3
145.02936	100.0
146.03267	3.8
163.03993	10.2
163.05392	0.5
164.04343	0.5
241.68744	0.2
272.16327	0.3
281.49539	0.2
393.15482	7.3
394.15866	0.9
429.15469	35.5
430.15775	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	429.1548
Annotation	Sesartemin
Peak:m/z	Relative Intensity
59.01374	3.7
59.70754	0.3
61.98844	0.3
69.40481	2.2
71.01379	1.2
79.80019	0.2
85.02928	0.5
87.04505	3.2
89.02431	1.0
96.95974	0.3
101.02429	0.6
113.02428	0.3
117.03457	29.3
118.03783	1.0
119.05018	10.4
120.05313	0.3
121.02934	0.6
145.02939	100.0
146.03287	3.6
163.03996	11.0
164.04279	0.5
226.93469	0.3
254.67068	0.3
429.15475	39.0
430.15857	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	429.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79955	0.3
52.14624	0.3
53.65906	0.3
53.67237	0.3
59.01375	4.7
61.98817	1.3
66.23376	0.3
67.44718	0.3
68.12350	0.3
68.74626	0.3
69.69360	0.6
69.69768	1.5
71.01400	0.5
79.95734	1.4
89.02438	0.6
94.46468	0.3
95.05011	0.4
96.96001	100.0
97.06583	1.5
99.08131	0.6
99.92564	0.5
104.57288	0.3
115.91957	0.3
119.03579	0.3
127.07664	0.6
136.35497	0.3
139.06554	0.3
145.08672	2.5
159.06589	0.7
203.10753	0.5
221.19089	5.3
239.20218	0.7
265.18103	3.3
283.19156	3.4
301.20087	2.6
411.27383	0.6
429.15817	0.6
429.28506	15.7
430.28806	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46394	0.9
57.03441	51.3
59.01371	100.0
60.01691	0.8
69.24397	9.5
71.01375	10.8
71.05010	0.8
73.02935	5.2
83.01360	2.8
85.02953	2.3
89.02432	3.8
93.03430	3.2
96.95986	1.7
97.46574	0.8
98.95602	1.2
99.00895	1.5
99.04507	68.0
100.04845	1.7
101.02431	25.9
113.02418	4.7
119.03458	1.6
121.02947	9.8
123.04507	32.5
125.02425	13.1
126.24654	0.9
127.29163	0.9
135.04509	2.4
137.02394	2.5
138.48639	0.9
143.03493	8.6
145.02934	1.7
152.15720	0.9
159.02962	0.9
160.48589	0.9
161.02386	3.9
161.04529	49.8
162.04877	1.3
163.11238	1.6
165.05501	4.6
173.02415	2.0
174.03197	4.0
179.03371	1.3
181.05037	1.8
197.85818	1.0
207.10246	2.6
221.06631	22.4
261.09686	7.3
267.06363	4.2
285.09845	1.5
309.11945	1.9
323.09729	2.4
369.15457	1.0
387.16339	1.7
429.12946	21.5
429.18079	8.5
430.13977	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	429.1184
Annotation	Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
57.03445	1.9
59.01374	100.0
60.01703	1.0
71.01374	6.8
71.16096	0.4
72.99291	0.5
73.02928	0.9
81.03468	1.5
83.01389	1.6
83.04997	0.6
85.02946	3.1
85.06593	2.2
87.00887	0.6
87.90664	0.5
89.02439	6.5
93.03477	1.3
95.01376	1.5
95.05019	13.3
96.05411	0.7
96.95995	5.0
96.96970	0.6
97.02952	1.8
99.00880	0.8
99.81776	0.5
101.02443	3.9
101.06065	0.5
108.02164	14.6
109.02948	17.4
110.03327	0.6
111.04508	0.5
111.14890	0.4
113.01792	0.5
113.02431	2.7
113.06087	0.8
115.07648	0.7
119.03476	2.1
121.02964	1.7
123.04499	4.6
125.02441	9.7
131.03436	0.5
131.07121	6.1
135.04521	0.7
136.05287	0.5
137.02386	3.0
139.04047	1.0
143.03525	0.8
145.02946	1.8
146.03651	0.7
147.04462	0.4
149.02454	1.2
151.03976	2.5
152.01140	16.8
153.01926	6.7
157.05035	21.4
158.05324	0.7
159.04492	1.3
161.02402	0.8
161.04562	1.8
161.06052	1.8
163.04004	0.9
164.01155	1.6
164.08417	1.3
165.01909	1.4
167.03448	0.8
175.04051	0.8
179.03506	1.5
179.05592	2.7
187.03970	0.6
188.04794	0.8
191.05566	0.5
195.06587	2.0
201.05582	0.7
202.06183	0.6
203.07088	3.3
205.05020	1.8
217.08728	0.6
221.08177	0.9
227.07069	0.7
245.08199	3.7
253.05066	2.5
261.07559	1.2
271.06079	5.1
279.08795	0.9
283.11935	1.2
289.07156	25.6
290.07385	1.8
297.06232	1.1
374.75333	0.5
385.12671	0.7
411.10541	0.6
429.13882	27.9
429.20859	1.6
430.14209	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27679	0.2
55.01858	0.3
56.74936	0.2
56.78954	0.2
57.03426	0.7
59.01092	0.4
59.01377	6.9
61.98814	0.5
65.03936	0.3
66.83984	0.2
71.01376	5.4
71.62440	0.3
71.62835	0.3
72.99303	0.7
73.02943	1.9
76.25946	0.3
83.01371	0.5
85.02943	1.4
87.00876	0.5
89.02412	0.5
93.03449	45.7
94.03801	1.2
95.01362	0.3
96.95995	0.8
96.99317	0.3
99.00874	0.3
99.04498	0.7
101.02432	2.7
108.02171	0.4
109.02946	0.2
113.02458	1.1
113.03139	0.2
115.00351	0.3
121.02952	0.6
123.04506	0.4
125.02437	1.6
129.01936	8.4
133.02995	0.5
137.02432	100.0
138.02777	3.4
145.02917	0.4
147.02988	4.6
153.01945	0.7
161.02429	1.9
161.04527	0.7
163.11258	2.5
167.03438	0.5
177.01903	0.6
179.03470	0.3
191.03554	0.2
191.05573	0.6
192.04247	0.7
207.06525	1.5
207.10168	0.2
224.46626	0.3
299.07678	6.7
300.08197	0.6
315.07291	0.5
369.15469	0.4
387.16531	0.5
429.13181	1.1
429.18198	4.5
430.18069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29298	0.5
59.01373	100.0
60.01717	0.8
61.98831	1.4
70.47183	1.6
91.04015	0.7
92.92767	0.5
141.74069	0.5
171.10272	2.3
275.20114	4.2
276.20547	0.6
293.21182	6.1
322.62814	0.6
344.94775	0.6
450.96844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62399	0.6
54.86692	0.6
59.01374	100.0
60.01720	1.0
61.98819	1.8
64.70014	0.5
65.18639	0.6
70.46108	0.6
71.62325	0.6
71.62725	1.0
89.57018	0.5
96.96012	0.9
134.00282	0.6
157.08704	0.7
159.10339	0.8
245.62425	0.6
248.25682	0.6
275.09711	0.7
297.64056	0.6
367.13846	0.8
370.72076	0.6
427.30405	1.2
445.61603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86399	0.2
58.22018	0.2
59.01390	1.3
61.98823	100.0
69.86913	1.0
69.87323	0.4
71.01381	0.4
74.15951	0.3
78.95921	0.6
89.02431	0.3
96.96001	4.3
96.96631	0.3
96.96952	0.7
98.02489	0.5
101.02472	0.4
108.02146	0.3
118.98026	0.3
162.23779	0.3
167.03523	0.5
172.47968	0.2
189.12813	0.2
193.48279	0.3
207.02988	0.3
224.93463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01089	0.5
59.01377	9.8
61.98806	0.8
69.03423	0.4
69.63245	1.8
70.31136	0.3
71.01376	6.1
72.99299	0.6
73.02944	2.6
73.44979	0.4
74.74638	0.3
75.00908	0.3
76.53599	0.3
83.01376	1.1
85.02942	1.9
85.26713	0.3
86.48495	0.3
87.00855	0.6
89.02448	0.8
91.57670	0.3
93.03449	46.9
94.03789	1.0
95.01363	0.4
96.95997	0.9
96.99297	0.3
97.02948	0.3
99.00847	0.4
99.04504	0.9
101.02444	2.1
108.02182	0.7
109.02911	0.3
113.02450	1.2
115.00352	0.4
121.02929	0.6
123.04552	0.4
125.02393	1.9
129.01930	9.3
137.02432	100.0
138.02737	3.0
145.02948	0.6
147.02985	5.5
151.00366	0.3
152.01143	0.5
153.01926	1.3
159.02861	0.4
161.02419	2.8
161.04561	0.7
163.11258	3.3
167.03452	0.6
177.01936	1.1
179.03482	0.4
191.05525	0.6
192.04266	1.4
207.06555	1.7
228.08334	0.3
299.07672	6.2
315.07324	0.9
369.15823	0.5
387.16742	0.6
393.71207	0.3
429.12979	1.3
429.18246	6.3
430.18417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86609	1.5
55.01865	3.0
57.03459	2.2
59.01373	33.4
60.99298	2.9
61.98822	33.7
69.03456	2.0
71.01377	36.8
71.62704	2.6
72.99319	2.5
73.02944	13.8
78.91880	3.4
79.95728	2.5
80.91671	4.3
82.95415	8.0
83.01397	4.4
85.02943	18.7
87.00858	4.9
87.04520	4.3
88.98804	7.1
89.02438	100.0
93.03462	2.5
95.01379	2.6
96.96001	51.8
97.02908	2.3
99.00863	5.1
101.02431	34.5
101.06059	5.5
108.02136	2.8
109.02892	2.1
109.03895	1.6
111.71053	1.6
113.02441	15.9
115.07630	4.2
117.03417	1.7
117.05603	3.8
118.98046	1.8
119.03487	5.4
120.99637	3.9
125.02438	2.8
126.91164	1.6
131.03473	1.8
131.07143	10.9
133.05028	2.0
135.04475	2.7
137.02411	5.2
143.03534	2.2
145.02925	4.7
146.08266	1.9
150.03409	1.6
152.01112	3.3
159.02994	2.5
161.02441	4.0
161.04559	15.3
162.06816	3.3
163.03992	3.7
164.17403	1.7
165.02078	1.6
167.03447	2.6
175.03859	2.2
176.04796	3.7
177.02016	1.9
177.09143	2.3
179.05675	1.8
179.89365	1.6
191.07101	1.7
203.12444	1.4
204.10199	1.6
206.05827	2.5
220.03748	39.0
220.09689	2.4
221.04260	1.8
221.08160	2.6
235.06161	19.6
235.11899	14.8
236.06508	2.0
250.04787	6.4
251.11331	62.4
252.11630	5.1
265.07141	65.9
266.07639	2.8
266.10333	8.4
367.15936	38.6
367.19769	2.7
368.16229	1.9
370.79507	1.6
383.09729	1.6
389.18118	1.9
427.11948	19.4
427.20038	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41995	0.6
54.96280	0.7
59.01374	100.0
59.37012	0.6
61.98830	0.8
69.66949	0.8
71.41772	1.8
157.08746	1.3
167.34657	0.8
210.27434	0.8
287.22345	1.5
330.05499	4.4
367.13480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60254	0.3
56.43343	0.3
59.01374	100.0
60.01716	0.6
61.98819	0.8
69.66939	1.9
71.01356	0.4
89.97891	0.3
92.92794	1.7
95.05021	0.5
96.96005	1.6
97.06591	1.9
118.00925	0.4
125.09731	0.5
159.06589	0.7
171.10217	2.2
177.23848	0.3
179.13550	0.3
257.19171	0.4
275.20166	5.2
285.20767	1.1
293.21225	1.8
344.94821	0.4
396.03452	0.4
414.79016	0.4
425.93588	0.5
427.27042	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33708	1.3
59.01376	77.3
61.98824	1.8
71.01357	2.4
74.99103	2.8
93.03442	1.4
96.96045	1.8
99.00864	1.2
100.84956	1.6
109.02943	2.5
113.78278	1.3
120.99628	12.5
121.02977	2.5
121.06579	4.5
122.27303	1.3
125.02454	2.3
135.04477	1.6
137.02419	2.2
137.06071	5.6
137.09712	41.2
138.10086	1.8
147.04472	3.0
148.05299	2.6
163.07613	2.2
165.03047	1.3
179.05305	2.2
181.05051	11.8
189.12816	2.3
201.12756	2.8
203.14429	1.6
217.08397	1.3
235.11595	100.0
236.11893	7.3
277.90945	1.2
307.11877	1.3
323.13168	53.6
324.13354	3.9
378.43729	1.3
378.49503	1.4
383.15344	4.6
427.15781	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	425.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11060	2.1
52.93019	2.2
59.01372	25.3
61.98811	3.1
64.85097	2.1
67.37551	2.9
71.01369	8.0
73.02940	4.9
80.39783	3.1
80.98376	2.4
89.02423	6.2
89.87653	2.1
93.03507	3.6
95.19364	2.7
96.95996	11.9
101.02452	5.1
103.17420	2.6
109.02967	6.1
111.04485	2.7
113.02427	3.7
117.03461	21.3
117.05569	9.1
119.05006	20.4
121.02937	4.5
123.04485	4.5
130.54414	2.2
135.04472	2.2
137.02473	4.5
145.02939	100.0
145.08632	3.1
146.03268	5.4
148.04802	2.5
148.47530	2.2
151.00301	2.4
161.02470	3.7
161.06058	11.4
163.04007	25.1
170.50691	2.3
172.62955	2.2
177.05592	5.2
183.53189	2.6
194.95441	2.7
205.05028	14.5
223.67532	2.8
235.06023	4.6
265.07086	10.6
269.04343	3.1
279.10876	4.8
307.08353	11.2
425.14365	13.0
425.19379	32.7
439.95862	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	425.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11060	2.1
52.93019	2.2
59.01372	25.3
61.98811	3.1
64.85097	2.1
67.37551	2.9
71.01369	8.0
73.02940	4.9
80.39783	3.1
80.98376	2.4
89.02423	6.2
89.87653	2.1
93.03507	3.6
95.19364	2.7
96.95996	11.9
101.02452	5.1
103.17420	2.6
109.02967	6.1
111.04485	2.7
113.02427	3.7
117.03461	21.3
117.05569	9.1
119.05006	20.4
121.02937	4.5
123.04485	4.5
130.54414	2.2
135.04472	2.2
137.02473	4.5
145.02939	100.0
145.08632	3.1
146.03268	5.4
148.04802	2.5
148.47530	2.2
151.00301	2.4
161.02470	3.7
161.06058	11.4
163.04007	25.1
170.50691	2.3
172.62955	2.2
177.05592	5.2
183.53189	2.6
194.95441	2.7
205.05028	14.5
223.67532	2.8
235.06023	4.6
265.07086	10.6
269.04343	3.1
279.10876	4.8
307.08353	11.2
425.14365	13.0
425.19379	32.7
439.95862	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	425.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71546	0.6
58.00586	1.2
59.01374	100.0
60.01715	1.3
60.32586	0.5
61.98828	2.8
70.93808	0.7
70.94139	1.4
71.01375	29.0
72.99310	2.2
73.02952	1.5
77.99998	0.6
82.95419	0.8
83.01392	1.2
85.02950	4.9
87.00875	2.5
89.02436	48.6
93.03498	0.6
95.01380	1.5
96.95982	4.6
97.02951	0.7
99.00883	0.8
101.02434	16.2
113.02438	13.7
114.17016	0.6
119.03490	19.5
119.04297	1.2
119.05035	0.8
120.98825	0.6
123.04534	0.8
125.02442	2.3
131.03494	2.5
137.02466	1.4
143.03496	4.9
144.03841	0.8
149.04533	1.7
151.04045	2.0
161.04547	7.0
162.04958	0.6
163.04085	0.7
165.05455	1.0
165.78470	0.7
175.04018	0.6
179.05589	39.4
180.05925	1.3
203.12717	0.8
241.00119	0.7
255.02974	1.3
281.04657	0.9
289.02704	0.6
339.08524	0.8
365.18140	12.1
407.07666	3.9
425.20407	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	425.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34401	1.0
55.01870	1.5
57.03432	2.5
59.01376	100.0
60.01694	1.9
61.98825	13.4
70.24355	1.1
71.01383	35.6
71.67661	1.0
72.99301	2.4
73.02949	10.2
75.00879	1.2
83.01399	5.2
85.02943	15.8
87.00874	3.9
87.04527	2.8
89.02438	11.8
93.03438	1.2
95.01398	1.9
96.95989	7.1
97.02911	1.2
99.00873	7.3
100.00359	1.2
101.02437	32.3
109.02908	2.0
111.00895	1.1
113.02441	15.4
119.03519	4.0
119.05025	1.7
120.99604	2.0
123.04515	3.2
125.02432	3.5
131.03574	1.5
131.07150	1.8
132.02972	1.2
133.05072	5.4
137.02403	1.3
137.99593	1.5
143.03522	3.6
151.04028	8.0
152.74792	1.1
159.02985	4.6
161.04550	30.7
163.03970	1.7
173.06096	1.9
177.01886	2.2
179.05568	1.7
181.05014	5.5
201.05496	1.4
203.12863	4.8
227.65295	1.1
248.39575	1.0
271.52896	1.0
365.18134	51.5
366.18503	5.1
377.12222	2.2
425.14844	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	427.1026
Annotation	Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
55.69815	2.1
57.03444	16.5
59.01086	4.2
59.01371	61.4
61.98797	2.4
69.53196	7.9
69.53609	7.4
71.01373	12.9
77.03986	2.3
77.33718	2.0
80.38724	2.1
81.03453	6.4
83.01385	10.7
83.05017	10.2
85.02940	3.1
89.02426	20.4
91.05526	2.2
93.03451	20.0
95.01358	3.9
95.05010	6.5
96.96017	2.5
97.02934	18.5
101.02458	5.8
109.02941	58.2
110.03271	2.8
111.00858	4.5
111.04503	44.0
113.02441	8.5
115.05543	2.6
116.91942	2.3
117.03436	7.1
119.03471	6.8
121.02952	13.2
122.03712	3.3
123.04499	36.9
124.01656	3.5
125.02431	100.0
126.02717	3.5
131.05023	5.8
133.02968	18.1
135.04495	14.3
137.02432	56.7
138.02682	2.4
139.03960	10.8
145.02921	34.3
146.03677	7.8
147.04507	9.9
149.02414	26.8
150.03175	5.1
151.03975	19.5
157.06560	4.9
159.04506	30.4
160.05205	3.2
161.02446	12.5
161.04828	3.5
161.06032	20.4
162.03195	3.8
163.03925	5.0
164.01157	6.8
165.01907	43.6
167.03500	3.1
171.08038	2.5
173.06105	3.2
175.03978	9.2
177.02022	3.7
177.05516	4.8
179.03520	5.8
179.05588	9.0
183.04445	4.4
185.06039	7.2
187.04002	12.1
187.07431	3.0
187.11230	8.6
188.04704	7.7
189.05559	5.2
193.01604	2.9
197.06003	3.0
199.03990	4.8
201.05515	22.3
202.06200	3.2
203.03282	2.9
203.07089	29.9
205.04996	18.2
209.06020	2.6
209.36548	3.0
213.05524	7.4
215.07011	4.0
221.08051	2.9
227.03442	8.4
227.06985	5.3
229.05077	6.9
231.02884	4.7
239.03484	9.4
240.04089	4.6
241.05028	9.5
243.06535	3.1
245.08208	16.4
247.06068	6.4
253.05057	17.8
256.03503	2.3
257.04233	3.0
259.06015	6.0
267.03003	14.3
269.04465	5.0
271.06097	43.6
272.06674	6.1
277.07068	3.1
279.09995	2.5
281.04498	4.5
289.07150	82.7
290.07422	9.3
315.05069	23.6
321.11279	6.0
347.09091	4.7
365.10345	23.6
366.10672	4.8
391.03574	4.6
391.08160	50.8
392.08423	8.2
409.09125	9.5
427.10669	3.7
427.15967	6.8
440.06259	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	425.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07919	0.8
53.51500	0.7
55.01855	0.9
55.23596	0.8
57.03419	2.0
59.01375	17.1
62.89046	0.9
63.64962	0.9
64.12865	0.8
69.43832	1.3
69.44238	5.4
71.01373	20.7
72.99266	0.9
73.02915	1.8
75.67644	0.8
82.95381	1.7
83.01340	1.4
85.02911	2.4
87.00860	1.4
89.02438	4.7
96.95988	5.8
98.19812	1.4
98.95624	1.0
99.00833	2.4
99.04509	0.9
101.02447	4.0
103.05486	3.6
113.02388	2.7
115.05515	5.5
117.03452	6.4
118.03769	1.1
119.05001	8.3
121.02874	3.8
122.03201	1.0
125.02429	1.9
131.05005	11.8
133.06569	6.0
135.04456	2.6
137.02354	2.0
143.04926	2.0
145.02946	19.0
145.06532	2.7
146.03224	5.3
146.08156	1.4
147.04504	100.0
148.04773	3.0
151.03969	0.9
159.04399	1.2
161.06058	87.7
162.06439	4.2
163.03912	1.7
173.05981	1.0
175.07480	0.8
187.07578	0.9
189.05548	19.1
190.05779	1.1
193.01341	1.2
219.06517	1.2
235.13123	1.1
243.06453	1.0
249.07703	1.1
425.14142	81.5
426.14404	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
58.00591	1.0
59.01373	15.3
70.85439	0.5
70.85758	0.9
71.01376	14.4
72.99319	0.9
73.02959	1.1
83.01387	1.5
85.02973	0.7
88.07357	0.5
89.02437	3.1
96.96008	0.9
99.00852	1.3
101.02440	4.4
103.05531	2.0
104.22807	0.4
113.02441	1.8
115.04020	0.5
115.05531	3.5
117.03432	0.7
119.03497	1.0
119.05013	2.1
121.02969	0.7
125.02422	0.8
129.07072	0.6
131.05025	9.1
133.05032	0.6
133.06592	6.0
135.04491	0.6
143.04994	1.1
145.02936	2.0
145.06587	4.3
147.04506	74.2
148.04855	2.6
151.86391	0.4
153.11421	0.5
161.02419	2.2
161.06061	100.0
162.06418	4.9
163.03992	0.6
163.07648	0.8
163.45839	0.5
173.06026	1.6
189.05544	29.9
190.05907	1.1
219.06653	1.0
225.05527	0.6
243.06650	1.2
249.07639	1.6
323.07779	1.3
389.09909	0.5
425.14420	65.8
426.14804	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99673	0.3
57.40730	0.3
69.26506	0.9
69.26925	2.3
78.95898	11.5
104.97476	0.5
110.28246	0.3
110.98528	8.3
110.99305	0.5
137.00078	0.4
152.99579	0.4
167.01120	11.2
185.02174	2.6
255.23271	100.0
256.23642	7.4
423.25119	22.9
424.25421	2.5
427.52451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
62.81621	0.1
71.01365	0.2
71.63279	0.2
71.63697	0.2
72.89575	0.1
73.90541	0.1
79.95731	6.3
83.94457	0.2
85.02943	0.1
87.04526	0.2
89.02441	0.2
95.95248	0.2
96.96001	100.0
97.95926	0.3
98.95597	0.2
99.18636	0.2
99.23520	0.1
102.71001	0.1
108.02180	0.3
108.06940	0.1
110.97578	0.3
117.05563	0.3
119.05000	0.3
121.02975	0.3
127.73306	0.1
133.04994	0.2
137.02391	0.9
141.08418	0.2
145.02924	0.9
146.61588	0.1
147.04497	0.5
150.03224	0.3
151.03963	0.3
161.06032	0.2
163.04005	0.3
165.01781	0.2
167.68153	0.2
177.05508	0.3
177.84407	0.2
178.02711	0.4
185.05995	0.2
189.38235	0.2
190.81152	0.2
209.04352	0.2
213.05482	0.5
221.04451	0.2
224.04758	0.2
225.05508	0.2
240.04181	0.3
241.05019	1.5
242.05568	0.2
256.07407	0.3
259.05948	0.2
279.10825	0.6
285.04019	0.2
286.04831	0.2
300.06451	0.9
301.07190	0.3
315.08719	0.8
327.09024	0.1
345.09708	0.5
358.18710	0.2
425.05325	26.6
426.05688	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	425.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
71.01376	0.8
82.58513	0.3
83.05021	1.2
85.02954	0.3
93.03448	7.0
95.05017	11.4
96.05356	0.3
96.96014	1.6
101.02400	0.5
113.06052	0.6
117.03474	2.0
119.05009	0.8
121.02945	32.3
122.03288	0.9
123.04513	100.0
124.04853	3.3
125.02444	0.5
145.02931	8.8
146.03270	0.6
156.03923	0.3
157.05045	37.5
157.86029	0.3
158.05399	1.3
161.02457	0.7
161.04561	0.3
162.37332	0.3
163.04012	1.1
179.78691	0.3
229.44809	0.4
285.09830	1.1
401.34015	0.3
407.02353	0.3
425.14117	4.0
425.19443	0.3
426.14606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.3
57.03446	4.3
58.00595	1.0
59.01376	34.4
61.98830	3.1
68.99816	0.9
69.03452	1.4
69.46336	3.8
71.01377	58.5
72.89577	0.4
72.99301	2.5
73.02942	30.3
75.00890	2.0
78.68143	0.6
80.91684	0.9
81.03470	1.8
83.01380	13.4
83.05032	3.1
85.02947	29.7
86.00100	2.2
86.03329	0.7
87.00866	4.0
89.02442	11.9
89.02988	0.7
95.01391	5.5
96.96016	1.6
97.02934	3.1
98.95618	0.6
99.00875	12.7
99.01503	0.8
99.04507	1.0
101.02436	58.4
102.02817	0.9
108.02180	0.6
109.02955	1.8
111.00897	2.8
111.04591	0.5
113.02444	22.2
114.02785	0.5
115.03995	2.6
116.03937	0.5
117.03495	1.5
119.05035	0.6
119.90269	0.5
121.02971	2.0
123.04524	2.3
125.02443	4.3
129.01967	1.4
131.03516	3.4
133.02997	1.8
135.04555	1.6
137.02458	1.0
143.03503	3.7
145.02945	4.9
149.04558	1.3
150.58267	0.6
154.23404	0.5
155.03511	1.0
159.02985	4.5
161.02498	6.0
161.04547	21.7
162.02592	0.5
162.04907	0.6
163.04018	0.9
175.04025	1.1
177.01961	0.8
191.05602	0.7
205.03543	0.8
233.06584	3.0
257.26434	0.5
266.03027	0.5
291.18106	83.5
292.18481	4.8
293.08798	0.8
326.50623	0.5
351.00891	0.5
363.23987	0.8
423.16806	7.1
423.22263	100.0
424.16986	1.0
424.22546	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	423.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63863	1.1
53.23104	1.1
57.03443	1.4
59.01376	14.7
61.98824	8.6
64.59521	1.2
69.03449	2.2
69.38079	6.9
69.38506	3.5
77.07997	1.2
78.02991	1.1
80.91676	4.7
83.05016	2.9
84.02165	14.4
95.05014	6.7
96.95992	2.8
97.02950	14.8
97.06576	15.3
98.19852	2.3
98.96110	1.1
99.04509	3.3
109.02964	1.7
115.00110	1.3
123.04511	4.3
125.02420	3.2
125.09706	3.9
137.09659	1.8
145.02937	4.8
147.83020	1.2
151.00319	2.3
167.03450	3.1
171.10251	31.6
171.11642	2.3
189.05319	1.9
193.08456	38.7
193.12296	11.7
194.08762	1.9
211.13329	4.3
215.10513	7.3
225.14890	18.3
232.10782	4.8
233.11501	5.4
243.15923	5.7
247.13115	2.5
251.11345	1.3
259.09366	2.3
261.11002	2.1
264.09726	21.5
279.12189	8.8
293.13821	2.5
294.10745	2.9
309.13187	3.7
341.23270	100.0
342.23608	9.1
345.20328	4.1
363.20993	19.6
364.20749	2.1
407.20633	3.3
423.23581	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	423.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	32.1
60.58838	2.8
61.98818	10.8
65.79517	3.1
71.01373	11.9
71.62749	6.1
81.03462	15.5
83.05019	100.0
85.02951	5.4
89.02462	7.9
89.45439	3.1
93.03438	10.6
96.95998	53.5
101.02431	4.1
101.06078	17.5
109.02936	15.3
111.04506	8.9
112.66772	3.6
113.02418	6.7
115.07684	7.7
117.03457	20.4
119.05000	6.1
120.99648	15.6
121.02950	28.8
123.04505	66.8
125.02428	9.7
131.07077	5.2
134.84845	2.9
137.02444	29.5
145.02934	71.8
145.04082	4.0
146.03325	3.5
149.99640	3.7
155.03493	38.8
161.04538	3.1
163.04065	6.6
173.11778	4.7
191.05496	4.7
200.04887	3.0
202.06268	3.0
208.99068	8.7
228.90797	3.0
231.01233	3.5
261.07596	9.6
273.01959	3.1
273.06747	2.9
285.04007	4.7
295.06259	3.5
317.01157	6.2
405.02896	3.6
423.12628	29.0
423.17517	53.9
424.17636	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08883	11.3
59.01379	59.7
69.08485	12.3
70.18793	47.0
73.02930	17.6
101.02421	13.9
122.02497	15.9
122.64147	12.4
128.67413	13.5
132.74678	11.3
141.19910	13.9
208.13226	12.6
243.12309	30.3
246.06824	13.6
304.91464	11.6
359.52362	14.4
423.18011	100.0
424.12555	14.4
424.18097	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	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41267	3.6
59.01369	16.1
60.14414	4.0
69.52665	25.8
73.02955	5.7
81.03447	12.3
83.05016	100.0
85.02922	4.4
93.03453	11.7
96.96003	20.6
101.02438	4.4
101.91283	4.1
104.60109	3.7
109.02940	15.8
111.04498	12.4
121.02953	29.1
122.03742	6.4
123.04515	56.3
125.02422	13.6
128.63620	3.8
137.02449	28.3
138.93341	3.5
145.02925	9.1
149.02446	32.6
150.03203	42.1
155.03508	34.9
155.10703	5.4
163.03853	5.1
164.04808	5.7
165.05516	53.9
180.99664	4.2
189.03857	4.4
195.06589	29.6
195.44308	4.9
207.01208	4.6
223.06079	6.5
225.07710	8.3
227.09224	18.4
249.02252	5.7
250.24210	4.8
300.10159	4.7
317.01138	9.1
375.14365	25.8
405.02701	5.4
423.12817	10.1
423.17850	75.0
423.26047	11.5
424.18149	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	423.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22624	0.3
57.03439	1.5
57.24069	0.3
58.00601	0.3
59.01375	21.6
61.98824	1.7
68.94016	0.2
70.36366	0.8
71.01376	5.7
72.99323	0.6
73.02929	1.9
74.99097	0.3
75.00868	0.8
79.95722	2.2
80.96508	0.8
83.01375	1.1
83.05029	0.3
85.02949	2.9
87.00874	1.1
89.02431	3.5
93.03460	0.4
95.01364	0.5
95.05012	0.5
95.95203	0.3
96.96001	19.0
97.02943	0.4
98.95578	0.4
99.00863	0.7
99.04491	0.4
101.02431	5.4
103.41299	0.3
108.02164	0.6
109.02935	0.8
111.00859	0.3
111.04479	0.6
113.02443	3.1
119.03497	1.2
119.04975	0.3
121.02952	1.1
122.03741	6.3
122.06093	0.4
124.01656	0.4
125.02432	1.1
136.07684	0.5
136.99142	0.4
137.02414	1.7
137.06026	1.6
138.97070	0.9
139.03995	2.4
143.03542	0.5
149.02368	0.5
150.03166	0.5
151.03990	0.3
154.02701	0.8
161.04503	1.7
163.07703	0.3
164.07114	0.7
165.01903	0.4
165.05548	0.5
179.03645	0.3
179.05565	0.7
179.07118	2.2
180.04251	0.3
180.07530	0.4
181.08682	100.0
182.09013	4.9
195.06613	0.5
201.11324	1.3
207.02818	0.3
207.06535	0.4
208.24908	0.3
225.07726	0.4
233.09308	0.5
241.00201	10.0
261.04276	0.9
340.40848	0.3
343.13959	3.1
345.15817	0.3
346.92343	0.3
363.16544	22.6
364.16907	1.5
387.12906	0.9
423.09583	48.5
423.17612	1.9
424.09854	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	423.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
59.20345	0.2
69.70613	1.4
71.01366	1.6
73.02930	0.6
81.11272	0.2
83.01392	0.6
85.02959	1.4
86.70558	0.3
89.06818	0.2
95.01376	0.2
98.20589	0.5
99.00870	0.4
101.02432	1.9
102.67164	0.2
113.02436	0.7
117.03455	20.6
118.03781	0.9
119.05020	7.5
120.05377	0.3
121.02966	0.4
145.02936	100.0
146.03271	4.6
163.03989	10.0
164.04243	0.3
201.88330	0.2
203.07185	0.2
216.55409	0.3
219.57713	0.2
373.41449	0.2
412.54651	0.3
423.16547	44.0
424.16956	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	423.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	32.1
60.58838	2.8
61.98818	10.8
65.79517	3.1
71.01373	11.9
71.62749	6.1
81.03462	15.5
83.05019	100.0
85.02951	5.4
89.02462	7.9
89.45439	3.1
93.03438	10.6
96.95998	53.5
101.02431	4.1
101.06078	17.5
109.02936	15.3
111.04506	8.9
112.66772	3.6
113.02418	6.7
115.07684	7.7
117.03457	20.4
119.05000	6.1
120.99648	15.6
121.02950	28.8
123.04505	66.8
125.02428	9.7
131.07077	5.2
134.84845	2.9
137.02444	29.5
145.02934	71.8
145.04082	4.0
146.03325	3.5
149.99640	3.7
155.03493	38.8
161.04538	3.1
163.04065	6.6
173.11778	4.7
191.05496	4.7
200.04887	3.0
202.06268	3.0
208.99068	8.7
228.90797	3.0
231.01233	3.5
261.07596	9.6
273.01959	3.1
273.06747	2.9
285.04007	4.7
295.06259	3.5
317.01157	6.2
405.02896	3.6
423.12628	29.0
423.17517	53.9
424.17636	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87464	0.2
55.01859	0.3
57.03447	0.2
59.01373	1.9
65.03709	0.2
66.79217	0.2
66.91335	0.2
69.54286	1.4
69.97312	0.2
71.01378	2.8
72.99303	0.2
73.02941	1.2
79.09921	0.2
83.01387	0.7
83.05038	0.3
85.02937	1.9
89.02455	0.4
96.96003	0.8
98.20625	0.4
98.95592	0.4
100.96892	0.2
101.02431	2.4
113.02471	1.1
115.07619	0.3
117.03457	22.3
118.03795	0.7
119.05016	6.6
120.05334	0.2
120.11343	0.2
121.02915	1.0
123.04500	0.3
125.02484	0.2
135.04529	0.7
137.99078	0.2
145.02937	100.0
146.03268	3.5
147.04486	0.3
161.04564	0.5
163.03993	8.0
164.04326	0.4
172.14639	0.2
187.04033	0.3
214.47472	0.2
394.66031	0.2
423.16559	50.8
424.16898	5.7
424.22318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75061	0.3
51.14698	0.3
54.31335	0.3
55.01839	0.3
57.03427	0.4
58.98805	0.3
59.01379	2.9
59.46180	0.3
63.20118	0.3
68.45995	0.3
69.54037	1.0
69.54458	1.5
71.01051	0.4
71.01377	5.2
73.02922	1.3
83.01369	0.8
84.01754	0.3
85.02942	1.7
91.67597	0.3
99.00861	0.6
101.02428	3.2
113.02437	1.2
115.07628	0.4
117.03456	23.4
118.03783	0.6
119.05010	5.9
121.02937	16.3
122.03227	0.4
135.04509	15.7
136.04794	0.7
145.02934	100.0
146.03276	4.0
159.02997	0.4
161.04639	0.4
163.03993	8.3
163.05394	0.5
164.04402	0.4
184.49167	0.3
193.05002	0.3
218.25984	0.3
253.23314	0.3
423.16821	51.9
424.12817	0.4
424.17139	5.0
424.21289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03429	1.3
57.70036	0.3
58.00562	0.3
59.01375	11.5
64.43015	0.3
65.80731	0.2
69.46076	1.6
69.46480	0.5
69.68441	0.2
71.01376	14.9
72.99311	0.6
73.02942	7.7
74.53476	0.2
75.00871	0.3
75.62511	0.3
83.01379	4.0
85.02940	8.0
85.19757	0.2
86.00087	0.6
87.00871	1.1
89.02445	3.5
95.01373	1.3
96.96027	0.4
97.02922	0.5
99.00883	3.4
101.02434	17.4
102.02773	0.4
109.02906	0.3
111.00851	0.7
113.02439	5.6
117.03454	23.1
118.03783	0.8
119.03599	0.4
119.05015	8.2
120.05380	0.4
121.02932	0.7
125.02434	1.2
131.03491	1.2
133.02910	1.5
135.04521	0.5
137.02438	0.3
143.03526	0.6
145.02936	100.0
146.03282	4.6
146.21783	0.3
149.04526	0.4
159.02982	0.9
161.02441	4.9
161.04523	5.2
163.03989	9.7
164.04317	0.5
215.26656	0.3
233.06540	0.4
256.23911	0.3
289.07196	0.4
291.18097	22.9
292.18512	1.2
293.08780	0.3
423.16556	44.9
423.22336	23.8
424.16858	5.8
424.22714	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	423.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.8
59.01378	3.5
61.98810	5.4
63.02388	1.9
65.00317	14.6
69.27422	3.2
69.27818	13.3
70.13431	1.4
71.01357	2.4
81.03454	18.3
81.42330	1.4
83.01381	14.4
83.05020	100.0
84.05320	2.3
93.03459	7.8
95.01394	1.7
96.96039	3.4
101.02442	1.8
106.90614	1.4
107.01386	19.6
107.05011	1.7
109.02936	18.4
111.04523	11.1
113.02457	1.3
121.02953	31.8
123.04514	93.8
124.04787	3.1
125.02433	54.5
126.02758	2.1
137.02428	26.6
145.02959	2.3
146.03682	6.2
151.00352	90.0
151.03946	3.9
152.00627	3.6
155.03491	44.7
158.03598	1.8
159.04509	18.0
161.04602	1.7
166.02652	2.9
167.03479	55.7
168.03775	2.9
169.01422	3.1
173.06042	9.4
184.05246	1.6
187.03970	28.2
188.04353	2.2
201.05539	13.0
202.06331	21.3
203.06564	2.5
227.03360	1.8
227.10753	27.0
228.04179	2.7
228.11096	3.1
255.10214	11.8
271.13397	14.5
297.11224	3.7
309.04105	3.6
310.04694	3.6
311.90836	1.8
379.11761	13.8
405.13391	3.2
423.13406	23.0
423.27377	3.3
424.13760	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1656
Annotation	Grandidentatin
Peak:m/z	Relative Intensity
50.44387	0.2
54.38147	0.2
55.01871	0.2
57.03439	0.3
59.01371	1.5
66.23513	0.2
69.52192	1.7
71.01375	2.1
73.02938	0.9
81.32288	0.2
82.46855	0.3
83.01373	0.5
85.02943	1.4
95.01369	0.3
96.95998	1.2
98.95577	2.1
98.96372	0.4
99.00863	0.2
101.02409	1.9
113.02438	0.7
117.03452	23.6
118.03767	0.6
119.05014	9.0
121.02931	0.3
133.81464	0.2
145.02933	100.0
146.03273	4.4
161.04593	0.4
163.03989	11.9
164.04282	0.4
201.55417	0.2
212.30501	0.2
285.79697	0.2
307.08221	0.3
423.11914	2.0
423.16550	43.0
424.16949	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	423.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07992	1.3
59.01378	56.0
68.55055	1.3
71.01381	12.0
83.01376	1.2
85.02948	2.5
89.02442	11.3
96.95990	4.7
101.02422	10.4
109.60255	1.4
113.02434	4.3
119.03459	3.1
126.84762	1.3
142.10005	1.3
163.11314	5.0
165.05515	1.5
195.06461	1.6
201.62537	1.6
207.10271	10.1
218.48599	1.6
229.52165	2.0
267.11646	1.4
290.42099	1.5
387.16562	100.0
388.16919	9.9
423.18140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81422	0.7
57.03446	7.6
59.01373	8.6
61.98835	1.5
63.02381	2.5
65.00318	16.8
70.14079	2.2
70.14465	1.2
71.01361	1.8
73.02937	1.1
81.03441	5.8
83.01382	16.3
83.05039	0.9
95.04990	0.9
96.95995	2.2
107.01376	23.2
113.77673	0.8
121.02904	1.3
123.04512	26.1
124.01640	2.0
125.02438	58.8
126.02758	1.8
137.02464	1.0
145.02911	1.1
146.03723	7.4
151.00352	100.0
151.03978	3.1
152.00726	3.1
152.99541	0.8
159.04498	15.2
161.02454	0.8
166.02673	4.0
167.03474	58.0
168.03812	2.2
169.01418	1.9
172.05197	1.6
173.06070	8.6
183.04630	0.8
184.05304	1.2
186.03181	1.5
187.03975	32.6
188.04315	1.9
199.04002	2.3
201.05563	15.6
202.06329	25.1
203.06627	1.0
211.03995	1.3
221.06166	1.2
222.53838	0.8
225.05634	1.7
227.03424	2.2
227.10751	27.7
228.04245	2.0
228.11063	1.7
239.07054	1.4
242.68115	1.0
253.12346	1.2
255.10225	13.2
271.13324	12.6
272.13562	1.5
286.04910	1.0
297.11325	4.1
299.22003	0.9
309.03986	4.4
310.04758	4.9
363.23853	1.1
379.11758	15.3
379.15976	1.8
380.12213	1.6
405.13278	3.2
423.14346	14.3
424.14545	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
56.57739	0.3
59.01374	9.5
61.98831	0.3
69.40170	0.3
69.63322	1.7
71.01374	12.2
71.05042	0.3
71.58237	0.2
72.99306	0.6
73.02946	0.6
77.03951	0.4
83.01405	1.0
85.02953	1.1
89.02433	2.5
93.03467	0.3
95.05012	0.5
96.95998	0.7
97.02962	0.4
99.00875	0.7
101.02438	2.8
107.04999	0.4
113.02466	1.2
117.03458	5.1
119.03500	0.7
119.05019	1.4
121.02942	100.0
122.03264	3.8
125.02454	0.4
135.04507	85.3
136.04845	3.7
139.22545	0.3
145.02933	25.7
145.28923	0.3
146.03299	0.8
146.08221	1.3
147.04535	0.6
157.05026	0.4
161.04543	0.5
161.06001	0.4
163.03989	11.8
164.04280	0.8
177.01863	0.3
189.05600	0.7
193.04993	0.7
215.97470	0.3
217.04993	1.0
223.06053	1.6
277.12180	1.2
423.12558	39.5
424.12891	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	423.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25966	0.2
55.01874	0.5
57.03456	0.3
57.58677	0.3
58.00573	0.5
59.01088	0.6
59.01376	10.8
59.57584	0.2
61.98839	0.4
67.15182	0.3
69.55786	2.2
70.02968	0.7
71.01370	12.4
71.05027	0.6
72.10381	0.3
72.99299	0.5
73.02942	1.1
75.00903	0.3
77.03958	0.5
83.01382	0.9
85.02956	1.7
88.64897	0.3
89.02437	3.2
95.04999	0.6
96.95995	1.7
98.95615	0.5
99.00875	0.6
99.04532	0.6
101.02431	4.1
113.02448	2.2
113.03567	0.7
114.96216	0.3
117.03455	14.7
119.03523	0.6
119.05006	4.5
121.02940	100.0
122.03261	3.7
125.02415	0.5
133.06635	0.4
135.04507	85.7
136.04828	3.6
137.02429	0.4
139.03938	0.3
143.03519	0.4
145.02931	65.9
146.03261	3.2
146.08197	3.8
147.04477	0.6
157.05045	1.0
159.04465	0.5
161.04552	1.1
163.03983	14.7
163.15134	0.3
164.04280	0.4
173.03923	0.4
177.01859	0.5
189.05556	0.5
193.05051	0.8
217.05046	0.6
217.11864	0.8
222.05836	0.4
223.06102	2.3
277.12259	3.6
423.12860	37.0
423.17212	13.2
424.12265	3.7
424.17456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1293
Annotation	Fortuneanoside E
Peak:m/z	Relative Intensity
57.03439	1.1
59.01378	9.4
69.98677	2.5
71.01382	3.5
73.02942	1.7
74.99072	1.2
75.00855	0.7
81.03452	12.6
83.05017	100.0
84.05357	1.1
85.02935	1.8
89.02403	1.0
89.17126	0.7
91.40941	0.7
93.03451	8.0
96.95996	5.7
101.02424	1.6
109.02939	16.2
111.00838	1.0
111.04510	9.8
113.02447	1.7
121.02944	30.6
122.03193	0.9
123.04514	65.7
124.04848	2.7
125.02418	1.5
125.06052	0.8
127.04025	1.0
131.07114	0.7
137.02425	22.7
138.02750	1.1
145.02898	1.6
149.02391	1.3
150.03227	3.5
155.03491	40.7
156.03819	1.6
161.04549	1.9
163.11699	0.6
164.04739	1.0
165.05545	5.0
178.99928	0.8
179.07130	1.4
180.99687	1.2
195.06573	2.7
208.99083	1.5
210.03926	0.7
216.04236	0.8
242.95203	0.6
285.09827	0.9
310.40997	0.7
317.01266	2.0
317.08765	1.3
363.20181	2.1
405.02884	1.5
423.12903	13.7
423.17914	3.4
423.25754	0.9
424.13217	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	423.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.2
59.01374	1.6
61.98821	0.7
63.01920	0.2
64.09560	0.2
71.01361	1.0
71.62801	0.2
71.63168	0.2
72.99301	0.2
73.02937	0.4
81.03439	0.4
83.04995	0.3
85.02951	0.5
88.98801	0.2
89.02438	0.6
89.03954	1.6
93.03455	0.4
95.01382	0.2
95.05000	0.2
95.55936	0.2
96.96005	0.6
98.95535	0.2
101.02421	0.8
101.06077	1.4
104.02666	0.4
105.03440	3.6
107.01415	0.2
108.02138	0.2
109.02943	0.6
110.06846	0.2
111.04440	0.2
113.02454	0.2
117.03460	1.2
117.05566	0.2
119.05010	0.2
121.02924	0.5
123.04543	0.4
125.02462	0.3
127.51956	0.2
131.07112	0.2
132.02158	0.7
133.02937	9.2
134.03659	0.6
135.04485	0.6
137.02438	0.5
145.02934	2.3
146.03226	0.2
148.01630	0.7
149.02443	1.0
153.43094	0.2
160.01649	3.8
161.02429	2.8
161.04538	0.2
163.03926	0.2
165.92239	0.1
175.03976	4.0
176.01080	1.3
176.04266	0.2
177.01903	100.0
178.02240	4.3
179.03577	0.2
179.05573	0.2
193.05038	0.5
225.05577	0.2
291.18069	0.4
313.25781	0.1
423.12808	8.9
423.17154	3.5
424.12363	1.1
424.17575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1293
Annotation	salicortin
Peak:m/z	Relative Intensity
59.01368	0.7
60.14711	0.3
61.60993	0.3
62.85911	0.3
65.03960	0.5
69.03447	0.3
70.93476	0.6
70.93818	0.3
71.01372	2.1
73.02950	0.3
76.92278	0.2
81.03449	13.3
83.05019	100.0
84.05350	2.6
85.02946	0.9
89.02458	0.4
93.03451	9.4
101.02440	0.9
107.05023	0.7
109.02946	17.3
110.03271	0.5
111.04507	12.4
113.02454	1.5
121.02950	31.0
122.03267	1.1
123.04514	69.1
124.04843	2.4
127.03999	0.9
129.05580	0.5
137.02432	25.2
138.02779	0.7
143.03548	0.3
145.02904	0.5
151.04149	0.3
155.03488	41.9
156.03867	1.6
161.04553	2.1
163.49316	0.3
173.04530	0.8
248.65703	0.3
299.07632	0.4
317.08832	1.4
327.71515	0.3
333.93283	0.3
376.93140	0.3
378.06461	0.3
423.12891	17.3
424.13248	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	423.1293
Annotation	salicortin
Peak:m/z	Relative Intensity
59.01376	0.7
61.98818	0.4
65.03954	0.7
70.08505	0.3
71.01376	1.7
71.30833	0.6
71.31178	0.3
71.74235	0.3
71.87971	0.3
73.02943	0.4
81.03449	11.8
83.01392	0.3
83.05016	100.0
84.05357	2.5
84.12786	0.4
85.02928	0.9
93.03447	9.1
94.03808	0.3
96.95981	0.6
99.00864	0.3
101.02425	0.8
107.05035	0.7
109.02939	16.5
110.03304	0.5
110.06770	0.3
111.04512	10.1
113.02438	1.4
121.02943	30.3
122.03269	1.1
123.04511	65.7
124.04843	2.5
127.04022	1.1
133.02919	0.7
137.02431	22.7
138.02754	0.7
143.03456	0.4
155.03484	40.5
156.03819	1.9
158.83578	0.3
161.04550	2.3
173.04520	1.0
219.10681	0.4
233.02937	0.4
265.07983	0.4
285.09769	0.6
299.07712	0.4
302.33792	0.3
317.08707	1.0
423.12918	13.8
424.13412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1293
Annotation	salicortin
Peak:m/z	Relative Intensity
51.01482	0.3
59.01364	1.4
61.98820	0.5
69.46695	2.1
71.01382	1.7
73.02943	0.5
79.87935	0.3
80.91000	0.3
81.03448	14.7
83.01414	0.7
83.05016	100.0
84.05356	2.3
85.02946	1.0
93.03450	9.0
98.20561	0.7
101.02444	1.0
107.05011	1.0
109.02943	16.8
110.03231	0.5
111.04507	9.9
113.02467	1.0
121.02946	31.5
122.03259	1.2
123.04511	72.6
124.04825	2.5
125.02443	3.3
127.03991	0.9
127.14941	0.4
129.05550	0.5
133.02951	0.7
137.02429	24.2
138.02765	0.5
149.81758	0.3
151.00398	0.7
155.03487	45.4
156.03784	1.5
161.04591	1.8
167.03476	1.0
173.04530	0.6
193.08449	0.4
209.52881	0.3
233.02959	0.4
285.09879	0.4
317.08679	1.0
423.12860	16.7
423.27493	1.1
424.13104	1.7
430.95050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1293
Annotation	salicortin
Peak:m/z	Relative Intensity
59.01371	6.8
61.98820	1.4
65.03989	0.6
71.01364	2.8
71.62994	0.7
73.02885	0.5
73.62293	0.5
81.03452	13.9
83.05018	100.0
84.05360	2.4
85.02958	1.1
93.03454	9.3
94.66863	0.5
95.05019	19.0
96.96055	0.5
101.02399	1.1
107.04995	0.8
109.02944	16.6
110.03289	0.7
111.04508	9.4
113.02442	1.6
113.06104	0.7
121.02945	69.6
122.03269	2.1
123.04513	68.0
124.04832	2.4
127.04010	1.2
137.02432	24.4
138.02740	0.8
139.04005	0.7
145.02975	0.7
154.48363	0.6
155.03493	38.9
156.03831	1.7
157.05038	40.8
158.05363	1.0
161.04503	3.4
173.04607	0.8
261.07657	7.2
262.07889	0.7
282.28955	0.5
317.08685	0.8
361.30090	0.5
363.23831	1.4
387.23785	2.6
423.12766	15.8
424.13278	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	423.129
Annotation	salicortin
Peak:m/z	Relative Intensity
56.22316	0.6
59.01364	4.5
61.98838	1.4
65.03947	0.6
67.89748	0.6
68.99567	1.3
71.01381	2.3
71.22340	1.4
72.19378	0.6
72.31570	0.6
72.99293	1.2
81.03448	13.3
83.05017	100.0
84.05363	2.1
85.02937	1.0
91.19016	0.6
93.03453	8.7
94.76445	0.7
97.02934	1.0
107.05030	1.0
109.02940	18.1
110.03274	0.6
111.04509	7.7
112.98554	1.3
113.02419	0.8
121.02944	32.1
122.03278	1.4
123.04512	69.4
124.04857	2.6
127.04002	1.4
133.02887	0.8
137.02429	23.4
138.02747	0.9
155.03488	40.7
156.03773	1.3
158.69476	0.6
161.04549	1.4
169.01143	0.5
173.04512	0.9
196.65503	0.7
210.82887	0.5
233.02997	0.8
243.13780	0.7
292.29434	0.6
311.03757	0.7
317.08859	1.1
423.12332	13.7
424.13379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1291
Annotation	salicortin
Peak:m/z	Relative Intensity
50.19331	0.4
56.92251	0.5
59.01373	0.9
69.46738	3.3
69.47144	1.2
70.61173	0.5
71.01373	1.9
81.03449	13.3
83.05013	100.0
84.05350	2.4
85.02929	1.0
93.03442	8.1
107.05012	0.7
109.02938	17.0
110.03295	0.8
111.04519	8.3
113.02404	0.6
117.03462	1.1
121.02940	31.0
122.03255	1.0
123.04506	70.2
124.04856	2.5
127.03996	0.8
137.02428	26.1
138.02766	0.7
145.02933	4.5
155.03481	41.4
156.03801	1.5
161.04559	1.3
163.03955	0.7
173.04483	0.8
180.57704	0.6
285.09952	1.0
317.08755	1.1
331.07532	0.5
420.63364	0.6
423.12750	15.5
424.13211	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13526	0.3
52.58556	0.3
55.01866	0.4
57.03437	1.2
59.01375	30.1
60.01690	0.4
61.98817	3.1
64.25969	0.3
66.33085	0.3
69.03461	0.3
70.36588	0.8
70.36955	0.7
71.01378	7.9
72.99303	0.9
73.02943	2.3
74.99093	0.5
75.00854	1.1
77.00930	0.3
79.95705	2.1
80.91671	0.5
80.96512	0.6
83.01394	1.3
85.02952	2.8
87.00879	1.2
89.02435	4.3
95.01348	0.5
95.05004	0.4
96.96003	17.0
97.02901	0.4
99.00893	0.9
99.04501	0.7
101.02439	7.0
108.02143	0.5
109.02945	0.8
109.59081	0.3
113.02431	3.5
119.03497	2.0
120.99616	0.5
121.02943	1.0
122.03736	5.5
122.06126	0.5
125.02438	1.0
136.01656	0.5
136.07695	0.5
137.02408	1.3
137.06056	1.5
138.97107	0.6
139.03992	2.6
143.03452	0.7
145.05029	0.6
149.02419	0.4
150.03197	0.5
151.04028	0.6
154.02760	0.7
159.03032	0.5
161.04533	2.2
164.07162	1.1
165.01906	0.4
165.05554	0.7
166.96626	0.5
169.01375	0.4
177.01874	0.6
179.03532	0.4
179.05739	0.5
179.07106	2.3
181.08687	100.0
182.09038	4.2
183.10265	0.4
195.06543	0.8
201.11356	2.1
225.07678	0.9
233.09344	0.8
241.00201	10.8
243.00412	0.4
243.03053	0.4
251.10353	1.2
261.04199	0.8
343.13843	3.3
345.15341	0.7
363.16559	30.9
364.16879	2.6
384.79730	0.4
387.12909	1.0
391.07251	0.4
423.09589	46.0
423.17734	2.6
424.09790	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	423.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71080	0.5
57.03454	3.9
58.99591	0.7
59.01367	2.8
63.02403	1.1
65.00319	1.8
70.76617	1.4
71.01369	1.7
73.02956	0.7
75.00852	1.1
81.03439	2.1
83.01372	2.1
83.05013	17.6
89.02460	1.3
93.03438	3.1
96.95988	2.0
98.29279	0.7
102.98595	1.7
107.01382	3.4
109.02921	3.4
111.04502	4.1
113.02401	0.8
119.05016	3.4
120.99648	2.2
121.02957	6.3
123.04521	11.4
125.02428	30.5
126.02770	1.3
137.02419	5.4
138.98589	0.8
139.04053	0.7
139.99371	0.7
145.02924	2.3
147.00877	2.2
147.04608	0.6
149.02443	6.5
151.00339	13.9
151.03967	1.0
152.01091	2.1
153.00157	6.2
153.01889	4.5
155.01721	3.3
155.03513	6.1
156.03850	0.9
157.08687	0.9
159.04514	1.0
161.04604	0.8
163.03967	0.8
165.00064	1.5
169.01385	0.7
171.04472	1.0
173.02371	1.3
175.00327	11.3
175.03990	2.0
176.01096	4.6
177.01826	1.5
178.99838	14.8
180.99635	12.5
182.00305	0.6
183.01160	14.6
187.03951	1.8
193.01349	0.8
197.02548	1.0
199.03983	0.8
207.01155	6.1
208.99098	100.0
209.99429	5.0
211.03954	1.6
213.05531	0.8
215.03477	1.4
223.04330	0.6
227.03395	1.1
229.05037	1.3
231.01175	7.2
239.03503	1.5
241.05109	1.0
249.02167	3.2
251.00023	0.7
255.00841	1.3
255.03136	1.6
257.04483	2.0
269.01447	0.6
271.02811	2.0
273.02170	5.7
274.02499	0.7
283.02451	9.1
284.03101	2.1
285.04019	11.0
286.04456	1.2
287.05319	0.8
289.01791	0.9
291.03247	3.3
297.00693	26.2
298.01062	1.8
299.00211	2.2
301.03592	1.3
307.02814	1.0
317.01212	19.7
335.02206	6.4
405.02789	11.5
406.03137	1.2
423.03836	23.5
423.13031	2.4
424.04117	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.7
59.01374	9.4
65.00299	2.3
69.28132	13.8
71.01382	4.0
81.03431	11.6
83.01375	3.9
83.05014	82.7
84.05354	1.7
85.02959	1.8
89.02429	2.6
93.03439	9.1
96.95993	3.1
101.02438	2.7
107.01329	2.2
109.02955	12.5
111.04504	10.3
112.07505	1.8
113.02435	2.7
117.03398	1.6
121.02934	23.3
123.04513	59.8
124.01589	1.6
125.00664	4.9
125.02431	58.4
126.02808	1.8
137.02426	23.7
145.02914	10.5
147.00941	2.7
149.02391	4.5
150.03189	6.6
151.00349	8.5
152.01099	3.4
153.00148	18.9
153.01965	1.8
155.03484	35.2
156.03790	2.1
161.02428	2.5
161.04546	1.7
165.00099	5.4
165.05536	11.7
169.02931	2.8
173.02434	10.3
175.00371	10.2
175.03943	9.3
176.01076	1.8
178.99820	5.8
179.01524	1.6
179.05658	1.7
180.99641	42.3
183.01138	2.6
183.04407	2.7
187.04002	8.6
192.99628	1.8
195.06610	8.8
197.02473	3.8
198.03175	2.8
199.03943	5.8
203.01617	4.4
206.00403	3.5
207.01189	39.1
208.01579	3.0
208.99110	68.4
209.01106	3.3
209.99396	2.5
211.03987	8.6
212.04662	4.2
215.03436	6.5
216.04274	11.7
217.04990	2.1
221.02432	1.6
227.03506	3.2
227.09224	1.7
231.01132	26.7
232.01653	2.4
239.03448	7.1
240.04329	9.4
241.04991	6.0
242.02231	1.8
245.02722	3.6
247.64850	1.9
249.02202	26.8
255.00697	2.4
255.03189	8.7
256.03674	2.2
257.04663	1.8
273.02209	18.2
275.00122	2.7
283.02429	32.3
284.03015	5.4
285.04013	43.6
286.04291	5.2
289.01483	2.0
297.00705	5.4
299.00049	4.6
317.01184	85.3
318.01483	7.5
335.02402	3.7
405.02792	100.0
406.03238	9.9
423.03610	5.5
423.12466	12.2
423.17603	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	421.2227
Annotation	CHEBI:67674
Peak:m/z	Relative Intensity
56.83703	0.5
57.03426	1.6
59.01365	1.3
61.54038	0.5
65.00308	2.4
67.01886	6.6
68.99812	11.4
70.99077	1.4
78.95892	12.9
80.96518	4.5
81.03442	1.8
83.01374	6.2
85.02944	1.3
108.96482	0.7
109.02947	7.2
110.98517	25.5
111.00864	7.2
120.80653	0.5
125.02430	8.9
147.96222	0.5
151.00331	4.7
151.14946	0.6
152.99559	1.8
153.01920	29.3
154.02206	1.1
159.55905	0.5
167.01201	0.7
178.99799	1.7
180.00615	0.6
185.02173	49.7
186.02505	0.9
223.20638	10.2
224.20894	0.8
247.20602	0.7
253.21692	13.5
254.22073	1.6
263.23737	0.9
265.21683	17.8
265.24533	1.1
266.21994	1.7
267.19534	1.3
269.89432	0.6
283.22656	1.5
289.21564	0.9
307.22720	10.2
308.23068	1.2
327.41086	0.5
335.22272	0.8
349.23685	1.5
351.21512	2.8
377.23251	1.1
393.22980	0.8
403.21158	1.0
421.22260	100.0
422.22580	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	421.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44689	8.3
59.01362	24.3
60.99276	15.4
61.98825	17.7
69.46714	7.9
69.54958	52.7
71.48932	7.7
75.32928	8.8
88.98795	100.0
89.02438	25.4
96.95981	17.9
109.02917	7.6
121.02934	10.6
137.09674	9.8
207.09993	41.4
245.02486	21.0
245.19080	10.3
247.02460	19.4
291.35419	7.8
301.76364	7.5
311.79510	7.9
313.17828	36.6
331.18018	12.5
383.12869	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	421.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31842	14.5
59.01360	59.0
61.98820	40.8
69.03434	17.0
69.50822	74.6
69.51242	47.4
87.59872	16.3
88.98792	100.0
96.08095	15.4
96.13044	14.7
96.96017	45.1
97.02938	41.7
101.96410	16.5
121.02956	41.5
122.03278	16.7
124.31258	15.9
125.02427	66.8
151.00362	31.0
156.10768	17.2
157.89615	15.8
290.81851	19.9
296.11765	19.4
331.18967	20.9
333.32626	16.9
336.83325	15.5
421.13217	21.6
421.28271	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	421.2591
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
54.36701	0.2
57.03444	10.9
59.01371	0.5
59.73383	0.3
63.66358	0.2
65.00313	0.5
71.19215	0.4
72.77718	0.2
79.36913	0.2
80.96525	0.2
81.03450	10.5
83.01384	4.9
83.28624	0.3
93.59148	0.2
125.02435	100.0
126.02758	2.7
131.07167	0.2
168.76085	0.3
181.90750	0.2
208.63979	0.2
246.28366	0.2
251.23761	10.6
252.24042	0.9
275.23688	0.5
291.26907	1.9
293.24835	20.4
294.25146	1.9
295.22754	1.9
307.26434	0.5
311.25882	1.8
315.26712	1.6
317.24860	1.3
333.27966	1.7
335.25885	3.0
336.26389	0.6
359.25842	2.7
360.26202	0.4
377.26932	3.6
378.27167	0.5
421.25916	71.4
422.26257	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	421.2591
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.30636	0.1
57.03440	8.6
58.03782	0.2
61.32909	0.2
63.02388	0.2
65.00312	0.4
68.26610	0.1
71.19458	0.3
74.39205	0.1
74.60014	0.1
81.03451	1.6
81.34782	0.2
83.01375	7.5
91.77440	0.2
107.01395	0.6
121.02927	0.6
123.04506	1.0
125.02431	100.0
126.02762	2.8
142.10979	0.1
149.02385	1.1
151.00360	0.5
167.03482	1.2
253.21861	0.2
295.22751	2.3
296.22952	0.2
344.34872	0.1
403.24918	0.4
421.25897	11.7
422.26431	1.7
426.12909	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13331	0.1
57.03443	11.9
58.03787	0.2
59.01373	0.2
61.98799	0.1
79.80424	0.1
81.03463	0.3
83.01385	0.5
83.35652	0.1
87.29513	0.1
96.59283	0.1
96.96014	0.1
125.02434	100.0
126.02767	2.7
131.65085	0.1
151.00368	0.1
159.49597	0.1
167.03525	0.1
209.19199	0.1
251.20267	0.2
266.29065	0.1
277.31476	0.1
323.36371	0.1
403.21143	0.3
421.21671	1.8
422.22662	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68499	0.5
64.83398	0.6
68.69604	0.5
70.88096	0.5
70.94588	1.3
75.57851	0.5
78.95892	28.9
110.98518	49.8
145.10114	0.6
152.99556	4.9
167.01151	0.9
185.02171	100.0
186.02530	2.3
253.21686	27.5
254.21960	2.9
377.30191	0.7
421.23553	4.4
421.29605	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60399	0.5
70.20639	1.9
78.95901	3.3
80.91676	1.4
80.96542	0.6
90.10385	0.5
91.54053	0.6
95.59546	0.5
110.98515	4.5
163.11267	100.0
164.11595	5.5
167.01170	1.0
185.02187	8.4
186.93391	0.6
253.21704	1.9
259.75763	0.6
339.23236	72.6
340.23566	7.2
379.21359	0.9
421.22614	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
58.00579	1.3
59.01374	39.5
67.01105	1.1
67.02213	0.9
69.67535	5.3
69.67932	2.3
71.01370	16.9
72.99319	1.3
73.02940	39.4
75.97722	0.9
83.01369	1.5
85.02946	4.7
89.02436	16.8
95.01373	1.1
98.19855	1.4
101.02431	8.2
105.07124	2.3
107.05026	3.2
113.02450	5.6
116.06332	1.1
119.03491	5.7
121.06558	2.0
121.48853	1.0
123.08153	20.3
127.37107	1.1
131.03403	1.3
143.03522	1.3
143.04626	1.8
167.07109	100.0
168.07434	3.2
179.05583	2.3
179.10832	2.6
197.11810	8.2
223.09669	1.2
241.10770	85.3
242.10997	6.2
259.11780	2.1
306.07690	2.5
347.13318	5.8
421.17068	86.2
422.17444	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	421.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77920	0.7
57.03458	1.1
58.00576	2.2
59.01376	100.0
60.01724	1.1
61.98828	5.7
69.03463	0.7
69.64580	1.3
69.64986	3.6
71.01377	30.1
72.99313	2.8
73.02940	3.4
73.53100	0.8
75.00871	0.8
78.91875	1.0
82.95425	0.8
83.01392	1.4
85.02937	4.6
87.00881	2.2
89.02440	46.4
91.03738	0.6
95.01406	2.1
96.96008	8.3
101.02438	15.8
101.03072	1.0
102.02824	0.8
102.98597	2.8
112.04108	0.7
113.02438	11.8
118.10944	0.8
119.03490	17.8
119.04291	1.1
120.99668	4.7
121.03001	1.4
125.02430	1.7
131.03511	2.3
133.76180	0.8
135.04539	1.8
137.09741	1.3
143.03506	4.1
149.04532	1.9
161.04543	5.2
163.07555	0.9
167.07092	4.0
177.01976	2.3
179.03773	1.0
179.05632	16.4
179.07121	2.6
181.08733	2.0
199.09695	0.8
207.07977	0.7
232.14452	0.7
241.00320	2.2
241.10922	2.5
246.00833	0.8
259.89291	0.7
283.04938	2.1
361.14996	16.8
362.15530	1.1
377.14450	0.8
421.04028	1.2
421.08673	1.1
421.16818	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71495	5.1
59.01373	100.0
61.98828	41.6
69.72730	32.3
71.01377	31.7
73.02956	8.1
75.00880	6.2
83.04986	6.5
85.02947	8.7
87.00862	7.9
89.02441	21.3
92.60455	6.0
96.96014	15.0
101.02425	15.8
101.06070	24.7
109.02924	6.4
113.02422	15.5
117.03495	6.1
119.03481	12.3
123.04453	7.0
124.01619	6.2
125.02428	5.9
139.00287	8.3
145.02930	10.0
150.03162	5.3
151.11261	5.2
161.04597	8.8
179.05537	8.8
301.10800	9.1
318.02008	5.9
335.20740	10.2
361.18637	7.8
377.21600	7.7
421.16089	95.4
421.24649	15.9
422.16333	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	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10362	5.4
59.01362	19.1
69.66031	16.5
69.66455	21.0
70.07610	5.9
71.01363	7.2
73.02940	5.5
89.02435	7.3
94.46647	5.4
96.95987	9.8
108.02161	5.9
108.74252	7.1
109.02956	41.2
110.30002	5.9
118.42850	5.9
125.02415	21.4
138.02060	5.7
153.01918	12.0
182.76686	5.5
182.78392	6.5
195.31549	6.0
201.89554	6.4
205.04942	10.5
214.51047	5.8
223.06075	100.0
224.48665	5.8
230.84807	5.7
258.05057	6.3
259.06094	6.1
385.11240	11.8
421.11249	18.7
421.16248	87.1
421.24893	8.8
422.16528	12.2
425.85794	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	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14605	4.3
51.94516	4.3
57.87344	4.6
59.01370	38.4
61.98833	23.2
70.94632	8.6
71.01366	16.4
85.02939	5.1
85.56668	3.9
87.99153	4.6
89.02425	14.4
96.95990	5.0
99.04599	4.3
101.02426	15.7
113.02409	5.3
132.87302	4.2
146.39282	4.4
150.54887	4.4
161.04547	7.8
163.04071	4.6
179.05554	5.3
207.06592	8.4
214.51085	4.8
225.31441	4.7
260.35849	4.9
421.11145	8.8
421.16333	100.0
421.24469	13.0
422.16443	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	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74286	4.7
58.22304	4.9
59.01374	25.4
61.98831	5.0
62.63778	5.6
64.19041	4.6
65.16921	5.6
65.84937	5.0
71.01332	4.9
71.39181	6.1
78.97639	4.3
89.02449	6.5
95.05045	8.0
96.95998	11.8
108.02168	6.6
109.02950	58.9
120.99605	5.0
125.02445	31.6
153.01901	8.3
154.99815	5.2
159.42953	5.2
197.30368	5.0
201.52748	4.5
205.05046	9.2
223.06123	100.0
224.06499	6.2
225.88676	5.5
259.06180	15.2
385.11298	18.7
421.11215	43.3
421.16360	80.8
422.16510	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	421.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04078	1.2
55.01863	1.7
57.03425	2.3
58.00584	2.3
59.01375	63.0
59.17418	1.3
61.98518	2.0
61.98825	38.5
70.89478	3.2
71.01370	30.2
71.05024	1.4
72.35405	1.3
72.99299	2.9
73.02943	47.8
73.31367	1.3
82.95409	2.4
83.01353	2.1
85.02917	7.5
87.00844	1.8
89.02435	25.4
93.03404	1.5
95.01350	3.7
96.96000	12.3
97.06538	1.7
101.02421	13.4
105.07084	2.8
107.05000	2.4
109.02929	1.9
113.02435	10.3
115.04025	2.1
119.03487	8.9
120.99662	2.0
121.02941	1.5
121.06503	1.5
123.04504	2.0
123.08150	20.3
125.02407	3.2
129.05571	1.8
135.04485	3.9
137.02414	3.0
143.03494	2.6
143.04536	3.0
149.02490	2.1
149.04570	1.6
150.03198	1.8
161.02339	1.4
161.04471	2.4
165.01840	3.5
166.02776	2.5
167.03448	2.6
167.07115	100.0
168.07396	4.1
168.08832	1.2
179.03482	12.2
179.05557	5.5
179.10742	4.4
180.04201	1.9
197.11766	16.8
199.09731	2.2
200.31313	1.4
215.07028	2.3
223.09566	1.6
241.00163	2.8
241.10779	93.7
242.11061	4.7
259.06082	9.4
259.11722	3.8
283.06058	1.3
299.05869	1.7
306.07651	7.5
331.08197	2.7
347.13483	6.0
349.18436	4.4
361.12973	5.6
421.17010	96.7
422.17270	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	421.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
57.03440	1.5
58.00593	1.1
59.01374	45.9
61.52184	1.3
61.98824	13.8
69.03448	1.7
70.62457	1.5
70.62788	2.5
71.01377	21.3
71.56403	1.0
72.99320	2.1
73.02941	46.0
75.00858	1.6
82.95400	5.2
83.38363	1.1
84.39294	1.1
85.02956	6.1
87.00864	1.8
88.98787	1.9
89.02431	18.8
93.56466	1.2
95.01369	2.4
96.96008	15.5
101.02432	10.2
105.07085	2.9
107.04961	2.5
113.02426	7.0
119.03504	6.4
121.06581	2.0
123.08150	22.0
125.02409	1.6
128.03506	2.5
135.04514	6.6
143.04599	4.3
157.58281	1.2
161.04541	1.6
167.07118	100.0
168.07417	5.1
179.03471	7.2
179.05597	3.1
179.10733	4.4
186.36163	1.2
197.11807	11.5
223.09731	1.7
228.06676	1.1
237.34190	1.3
241.00305	5.5
241.10789	95.1
242.11124	5.1
257.12866	3.3
259.06018	2.3
259.11908	2.8
272.08807	2.1
283.10446	1.2
301.12012	2.2
303.09766	3.6
306.07550	7.0
347.13333	4.7
349.18640	1.6
377.05386	2.4
421.04697	6.6
421.17075	89.9
421.76785	1.2
422.17288	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	421.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30400	0.6
52.03502	0.6
54.66986	0.7
57.03452	0.7
59.01378	6.9
60.99287	0.6
63.54381	0.6
65.03938	1.5
70.63171	2.2
70.63552	0.7
71.01372	3.4
73.02915	0.7
81.03468	1.1
88.98800	1.9
89.02438	3.5
91.01890	1.9
93.03452	20.4
96.95945	0.7
101.02428	2.3
109.02943	37.7
110.03283	0.7
113.02426	1.4
117.03460	22.5
119.05018	8.4
120.64238	0.7
120.99627	1.0
121.02943	18.0
122.03258	1.5
124.01640	1.3
125.02422	7.3
135.00883	11.2
137.02412	9.3
145.02939	100.0
146.03284	3.8
151.04042	0.7
153.01897	3.6
159.04420	0.7
163.04008	11.3
164.01151	2.8
165.01910	6.9
167.03488	5.0
173.06046	2.6
174.03152	0.8
175.07585	3.2
179.03526	1.6
190.02731	0.8
197.06036	1.7
203.07103	1.1
213.05496	1.1
215.07091	18.6
216.07527	1.6
217.08716	2.9
229.08632	2.8
239.07474	0.6
240.04283	1.7
241.05020	9.1
258.05338	4.4
259.06009	5.9
281.11920	0.9
299.12961	1.0
323.12811	2.4
367.11731	9.0
385.12830	6.5
403.10428	1.7
421.11301	51.5
421.15646	18.2
422.10849	6.2
422.16165	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	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29005	4.7
53.96228	4.7
57.03440	7.2
59.01367	13.7
71.19388	9.2
84.74897	4.9
98.44323	4.4
101.02415	6.6
122.62473	4.9
144.23647	4.2
232.66887	4.4
256.98825	4.2
269.98126	5.4
311.19785	5.3
421.16348	100.0
422.16534	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	421.1168
Annotation	BIFENTHRIN
Peak:m/z	Relative Intensity
50.69888	0.2
59.01371	2.9
61.98816	0.5
64.83912	0.2
69.79416	1.2
71.01379	3.0
72.78894	0.2
72.99299	0.4
73.02941	1.1
79.95730	6.0
80.96513	2.0
82.17868	0.2
83.01389	0.5
85.02948	0.8
87.00859	0.6
88.98810	0.5
89.02447	1.2
93.03458	0.4
95.95230	4.6
96.96001	100.0
97.11543	0.2
97.95937	0.3
98.19895	0.4
99.00869	0.4
99.56512	0.2
101.02435	1.7
109.02940	0.3
113.02452	0.9
119.03514	0.3
122.97580	0.4
123.04562	0.2
125.02457	0.4
137.02415	1.2
138.97066	3.4
141.95761	0.4
145.02972	1.2
150.97093	1.2
151.00322	0.4
151.03990	0.2
152.98599	0.4
153.01958	1.5
156.08881	0.2
158.77177	0.2
161.04469	0.4
164.08368	0.6
164.98593	0.5
165.01917	0.6
168.98137	0.5
177.01927	0.8
180.98093	0.9
182.99599	0.3
195.02946	0.3
197.01295	0.3
213.05504	0.4
222.99185	0.6
225.00668	2.1
239.03461	0.3
241.00203	10.0
241.05019	3.9
242.00395	0.5
242.05302	0.3
266.24402	0.2
289.16608	0.8
301.07217	0.3
315.07410	0.3
400.00815	0.2
421.11639	61.1
422.12009	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16519	0.4
53.83496	0.4
57.03455	0.6
59.01375	10.7
61.98818	1.2
62.42696	0.5
65.03971	0.5
67.01804	0.5
68.26864	0.6
69.50837	3.9
70.81879	0.4
71.01371	5.1
73.02927	1.7
76.98674	0.5
77.16776	0.6
80.37974	0.5
83.01392	1.4
85.02942	2.4
87.00898	0.5
88.98800	0.6
89.02452	3.7
90.98599	0.7
91.01884	0.8
93.03451	6.7
96.95999	1.5
99.00858	1.2
99.04512	0.5
101.02412	4.2
107.01376	0.5
109.02944	14.1
113.02431	1.8
117.03457	23.1
118.03831	0.6
119.05003	7.3
120.99647	1.8
121.02956	6.4
125.02438	1.7
135.00865	4.2
135.04449	0.5
136.99124	0.5
137.02420	0.7
145.02936	100.0
146.03284	4.4
151.00356	3.4
153.00066	0.5
153.01924	1.7
161.04550	1.0
163.04007	9.9
165.01851	0.6
178.98091	0.5
179.98828	2.1
180.99646	1.9
197.05997	0.7
203.12950	0.6
213.97852	0.4
215.07100	5.9
215.25145	0.4
241.05057	3.0
259.06107	1.4
271.02432	0.5
275.14941	1.7
299.02087	0.9
300.02631	1.5
312.35797	0.7
314.99835	1.1
333.00708	5.7
340.61203	0.5
341.19675	0.5
414.24622	0.5
421.02658	0.8
421.11234	9.5
421.15103	39.1
422.10715	1.1
422.16025	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	421.1145
Annotation	Amburoside A
Peak:m/z	Relative Intensity
50.12206	0.5
51.21586	0.5
59.01374	6.2
65.03944	1.8
67.01868	0.6
71.01360	1.8
71.63449	0.9
73.02927	0.6
83.01343	0.9
87.00858	0.6
88.98798	1.5
89.02426	2.0
91.01869	2.3
93.03447	31.1
93.45500	0.6
93.61159	0.5
94.03767	0.8
101.02413	1.6
107.01366	0.8
109.02939	65.7
110.03256	1.4
113.02399	0.7
117.03453	6.4
119.04982	2.2
120.99600	0.6
121.02939	26.9
122.03240	1.1
125.02394	2.0
135.00874	20.1
137.02376	2.3
145.02931	28.2
146.03310	0.9
151.00343	3.3
153.00058	0.6
153.01915	6.4
163.03995	3.1
165.01839	2.7
173.06044	2.0
175.07626	0.7
177.01958	0.6
179.98816	2.0
180.99565	1.4
197.06033	3.0
213.05412	1.1
214.06232	2.2
215.07094	24.9
216.07466	1.7
240.04103	1.8
241.05037	10.6
242.05312	1.2
258.05219	4.6
259.06076	9.7
271.02435	0.7
299.01831	0.7
300.02606	1.5
314.99615	1.1
333.00684	5.7
367.11728	1.9
385.12897	1.3
403.10208	2.3
421.11169	100.0
422.11520	11.3
422.16522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.8
61.37503	0.3
61.98819	1.1
68.99820	0.7
69.03468	0.5
70.37167	1.1
70.47700	0.3
71.01385	1.6
73.02961	0.5
79.95725	0.3
81.03455	2.7
83.01398	0.5
83.05016	1.1
84.95119	0.4
85.02942	0.8
87.00864	0.5
89.02436	0.5
93.03469	0.8
95.01376	3.1
96.96001	1.4
97.02964	0.5
99.48766	0.3
101.02432	1.4
105.03439	0.9
107.01365	3.1
107.05056	0.4
108.02167	0.5
109.02914	1.6
111.00919	0.4
111.04517	1.2
115.20438	0.3
117.03445	1.0
119.05010	0.4
121.02932	2.9
122.00132	0.3
123.00875	2.7
123.04498	0.7
124.01645	1.0
125.02441	7.3
133.02922	0.6
135.04514	0.5
136.01691	0.6
137.02409	2.8
139.03886	0.3
141.01866	0.4
145.02957	1.9
149.02385	1.3
149.99568	64.7
151.00368	10.4
151.03998	0.5
152.00781	0.3
155.03500	0.8
161.04585	0.4
163.04030	0.4
165.01898	1.8
167.00182	0.7
169.01448	0.6
175.00328	0.5
177.01915	0.7
191.05566	1.2
193.01414	2.2
220.84158	0.3
223.09795	0.9
313.05603	100.0
314.05954	6.7
331.06604	0.4
361.22137	0.7
383.16159	0.5
421.11157	1.2
421.24124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1136
Annotation	Amburoside A
Peak:m/z	Relative Intensity
55.01878	2.3
57.03434	3.4
59.01376	19.6
61.98827	1.5
62.89557	1.0
63.85539	1.2
68.59600	1.2
68.99811	1.5
69.27242	8.7
71.01376	17.0
72.97495	1.0
72.99290	1.8
73.02939	4.4
74.27190	1.0
74.81202	1.0
75.00850	1.6
79.95718	1.2
83.01385	4.4
83.05027	1.2
85.02945	9.0
87.00857	2.0
87.04505	1.4
88.98805	2.6
89.02456	4.7
93.03455	44.1
94.03783	1.2
95.01377	6.2
96.71449	1.0
96.96017	9.8
96.99304	2.7
97.02945	1.4
99.00900	2.2
101.02425	12.5
102.78693	1.0
107.01350	1.8
108.02166	21.5
109.02952	27.5
113.02453	8.6
120.99653	5.6
121.02937	10.6
123.00877	29.5
123.04473	1.2
124.01656	65.3
125.01769	1.0
125.02470	13.4
135.04562	1.2
136.01656	4.1
137.02434	70.1
138.03285	8.2
139.04013	28.4
139.89909	1.1
140.04373	1.4
141.82584	1.0
145.02953	3.3
147.04501	1.4
149.02608	1.4
149.99571	2.9
151.00362	3.3
151.04015	1.3
152.01157	20.0
153.01921	9.9
159.02966	1.5
161.04541	3.5
163.04010	1.7
165.01942	2.4
175.03990	1.0
178.99869	3.8
179.01357	1.0
179.03529	1.2
180.99600	2.3
181.08743	2.6
191.03374	1.4
193.01608	1.2
196.67599	1.1
208.99112	7.5
215.07094	11.1
221.04512	1.3
232.99081	2.7
251.00069	1.2
257.24747	1.2
259.06064	9.8
260.90250	1.2
281.06625	73.5
282.07007	4.5
313.05750	6.2
317.03027	3.1
333.00763	3.4
345.10968	1.4
364.09723	1.1
421.11414	100.0
421.28247	4.0
422.11755	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	421.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03443	30.2
58.88633	0.4
59.01376	14.4
61.98825	3.8
62.99747	0.4
71.01376	6.2
71.05009	0.5
71.62237	0.7
72.99307	0.8
73.02947	3.5
75.00866	1.9
79.95741	1.9
80.96504	1.3
82.95406	1.0
83.01382	0.7
85.02942	2.1
87.00877	1.0
89.02436	5.7
93.03464	1.5
95.01362	0.5
96.96004	19.9
99.00861	0.8
101.02438	4.1
109.02941	4.1
113.02441	2.6
119.03491	1.9
121.02947	29.0
122.03297	0.8
123.04506	0.5
123.08191	1.1
125.02433	1.1
135.04546	1.1
137.02344	0.4
138.03201	0.5
138.97043	1.1
149.02406	0.8
150.03201	1.1
153.05586	0.5
161.04536	0.9
163.07544	0.5
165.05537	1.4
167.03450	0.6
167.07117	4.9
179.07118	100.0
180.07478	5.5
181.08638	0.7
185.08141	0.6
191.97423	0.5
197.11852	1.3
199.09813	1.0
223.06142	0.5
232.55954	0.5
241.00217	17.3
241.10837	6.2
241.14548	0.5
255.07716	1.0
259.02835	0.5
259.05957	0.5
259.11752	1.4
266.43457	0.4
269.04361	0.4
273.08698	1.0
274.48544	0.4
292.64996	0.4
297.08322	0.5
301.07840	0.6
303.51712	0.5
306.07831	0.5
333.10880	3.4
341.12399	8.0
342.12747	0.7
349.18689	0.9
359.12393	0.8
361.10587	0.8
361.14902	1.3
361.18860	0.5
385.15051	0.6
421.08041	60.0
421.16086	6.1
421.20660	1.3
422.08307	6.5
422.17258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.2
58.29552	3.1
59.01375	33.2
69.58508	20.0
71.01375	13.6
73.02948	3.7
77.08489	3.1
81.03441	9.7
83.01382	9.4
88.98801	4.3
89.02428	5.2
93.03458	7.6
95.05027	5.0
96.96007	20.2
97.02940	7.6
97.06609	4.0
99.04525	5.5
99.34533	3.8
101.02441	4.2
107.05076	3.9
109.02945	11.7
113.02483	3.4
117.03448	22.8
119.03535	4.0
119.05063	8.6
120.99597	4.8
121.02936	8.0
125.02443	59.5
133.02946	3.7
135.04536	6.5
137.02441	100.0
139.04024	13.1
141.67407	3.2
145.02951	85.2
146.03763	20.6
149.02367	4.0
151.04001	9.0
159.04492	5.5
163.03981	11.0
164.01126	27.2
165.01901	69.9
167.03490	60.5
172.05325	7.8
173.06085	22.6
174.03151	7.2
174.06789	6.8
175.03848	4.0
175.07600	36.6
176.04758	9.0
177.01872	15.2
179.03497	22.6
179.10867	4.2
187.04030	4.4
187.07674	7.4
188.04724	3.6
189.09172	6.2
190.02689	7.2
191.03502	5.3
200.04802	7.4
201.09166	3.9
202.06436	4.2
203.07101	14.8
205.08698	7.7
207.77342	3.6
211.07526	3.5
215.07126	3.7
217.08656	44.9
223.09769	4.2
229.08623	33.7
241.08675	5.2
247.09615	9.2
254.09410	4.5
255.10390	5.8
257.11810	6.3
268.07370	5.0
279.06439	3.6
279.67090	3.5
281.11798	12.3
283.09857	7.4
299.12811	11.3
323.12872	26.5
341.14133	4.4
367.11829	98.9
368.12027	10.4
385.12839	74.2
386.13348	8.6
421.15067	35.9
421.20511	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	421.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21621	0.7
52.08673	0.9
57.03432	2.6
57.75953	0.9
59.01373	12.0
71.01374	4.9
71.62878	1.2
71.63262	1.0
72.99326	1.0
73.02902	1.0
78.26801	0.9
80.52567	0.8
81.03460	2.2
83.01373	3.2
85.02942	1.9
88.61867	1.1
88.75667	0.8
89.02425	3.2
89.54352	0.8
91.01884	3.3
93.03448	28.2
94.03770	0.9
95.01366	1.0
95.05002	1.5
96.95979	1.2
97.02924	2.1
101.02435	2.7
107.05053	0.9
109.02940	59.4
110.03266	1.9
117.03456	24.8
118.03770	1.1
119.03493	1.0
119.05012	6.7
120.99631	2.5
121.02124	1.8
121.02940	23.6
122.03802	1.3
123.04507	2.3
124.01622	2.6
125.02437	26.0
135.00867	17.4
135.04442	1.3
137.02419	21.7
139.03940	1.2
145.02934	100.0
146.03323	4.2
147.04500	1.0
149.06052	1.0
151.03983	2.0
153.01895	9.0
153.05565	2.6
159.04488	1.4
163.04002	12.9
164.01126	7.1
165.01906	16.9
165.37117	0.9
167.03442	10.1
173.06076	7.3
174.03188	1.9
174.06795	1.9
175.07603	8.3
176.04768	2.2
177.01918	2.8
179.03500	4.8
187.07677	1.8
188.04742	1.2
189.09180	1.2
190.02686	1.4
195.06584	2.1
197.06039	2.6
200.04767	1.4
201.05696	1.1
201.09171	1.4
203.07077	2.8
205.08597	1.3
211.04109	0.9
213.09181	1.3
215.07077	24.1
216.07602	1.3
217.08643	7.7
225.05550	1.3
229.08713	6.9
240.04248	1.2
241.05026	11.4
241.08603	2.1
247.09674	1.9
251.07127	1.2
255.10146	1.0
258.05219	5.5
259.06073	8.5
265.57047	0.9
268.07376	1.4
281.11670	1.3
283.09677	1.1
294.08719	1.1
297.11740	1.0
299.12692	2.2
321.22906	1.1
323.12750	5.6
367.11758	20.0
368.12332	2.2
385.12903	15.6
386.12976	1.6
403.10022	1.8
406.16351	1.9
421.10745	75.4
422.11002	8.8
435.86853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
59.01372	100.0
60.01710	0.6
61.98822	2.6
69.34531	2.6
69.34952	1.1
71.01369	6.5
72.99289	0.8
73.02940	1.6
83.01372	1.1
83.05038	0.4
85.02941	2.1
85.93484	0.4
86.26053	0.4
87.00867	0.9
87.04535	0.9
89.02436	5.2
93.03446	1.8
95.01386	0.6
96.95984	0.8
97.02961	0.4
99.00877	1.2
99.04543	0.8
101.02432	5.7
106.04233	2.0
107.05016	4.8
108.02190	0.8
109.02934	1.2
113.02450	3.4
119.03484	2.6
120.99615	0.7
121.02954	2.0
123.04483	1.1
123.82088	0.4
129.01968	0.5
135.04561	0.6
137.02449	1.8
137.03545	0.3
143.03494	0.9
143.97050	0.4
145.02959	0.5
145.90762	0.4
150.03224	0.8
151.03976	2.9
153.01860	0.4
153.05580	0.9
155.10826	0.5
159.04445	0.7
160.05293	2.1
161.04526	2.5
161.05914	0.8
163.04015	0.5
164.04784	0.6
175.07625	1.8
177.05620	0.5
179.05704	0.6
193.08751	0.6
211.07614	1.6
213.09181	13.3
214.09573	0.6
220.59163	0.6
249.11263	0.6
257.08170	3.0
259.85852	0.5
329.13876	6.9
330.14325	0.6
359.16336	1.0
359.20633	5.8
360.20807	0.6
419.13385	20.1
419.22662	1.7
420.13620	2.7
420.18771	0.7
436.73254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2435
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.70883	0.1
52.81815	0.1
57.01448	0.1
57.03443	10.0
58.16066	0.1
59.01363	0.4
63.02386	0.4
65.00314	0.5
68.99818	0.2
80.19091	0.1
81.03451	1.7
83.01375	8.9
84.01729	0.2
85.11558	0.1
95.70842	0.2
100.91294	0.2
105.03441	0.2
107.01357	0.7
121.02934	0.6
123.04485	1.2
125.02430	100.0
126.02759	3.3
131.71298	0.1
143.04590	0.1
149.02397	1.4
151.00345	0.8
166.45955	0.1
167.03462	1.8
223.20657	0.5
249.22119	0.8
251.20209	0.7
265.21704	0.2
265.70947	0.1
293.21188	1.9
401.23093	0.3
419.24313	10.6
420.24542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01372	100.0
59.65474	0.4
60.01707	1.2
61.98825	3.2
62.99255	0.4
70.77266	0.5
70.77590	0.6
71.01368	6.2
72.99300	0.6
73.02943	1.3
80.44556	0.4
83.01395	0.9
85.02956	2.1
87.00887	0.6
87.04510	0.3
89.02429	4.0
93.03450	1.3
95.01370	0.4
96.96014	0.8
99.00878	0.7
99.04533	0.3
101.02425	4.7
102.02859	0.3
104.98258	0.4
106.04252	1.5
107.05001	2.7
108.02189	0.6
109.02972	1.2
113.02433	2.9
119.03508	1.6
120.99627	0.5
121.02975	1.2
122.03747	0.5
123.04519	0.4
125.02403	0.5
135.04494	0.5
137.02484	1.8
143.03551	0.4
149.06007	0.4
150.03183	0.4
151.00482	0.3
151.03966	3.9
153.05602	1.1
153.09282	0.5
155.10777	0.5
159.04451	0.6
160.05228	2.2
161.04570	2.4
161.05888	0.8
163.03970	0.9
164.04765	0.5
175.07594	2.2
179.05623	0.5
197.06017	0.4
202.18019	0.4
211.07700	0.6
213.09174	5.0
214.09459	0.4
249.11511	0.4
257.08154	2.7
281.27972	0.4
294.09363	0.3
308.74698	0.4
329.13882	6.7
330.14545	0.4
343.09253	0.6
359.16214	0.6
359.20688	5.4
360.20773	0.4
367.26569	0.4
392.61719	0.4
394.22253	0.4
410.97769	0.3
419.13498	9.8
419.22049	2.4
420.13846	1.1
438.06723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83736	14.4
59.01361	78.2
61.98827	100.0
79.33176	15.3
84.94678	16.2
92.13369	16.8
96.95989	23.5
97.82803	15.9
136.05452	15.8
142.94371	20.2
193.75705	17.8
419.20737	18.9
433.70370	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	419.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	82.8
61.84504	23.1
61.98814	100.0
63.18498	19.4
71.01022	20.3
71.10011	47.3
88.98809	49.4
96.95986	32.5
163.69778	20.5
164.67937	22.1
190.32896	24.7
269.04486	45.0
337.39063	22.6
349.61139	26.2
419.11871	25.4
419.24692	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	419.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.2
61.98801	1.4
69.74905	3.6
71.01388	1.1
72.99295	1.2
73.02943	1.3
73.39871	0.7
87.00870	2.9
96.95999	1.4
98.19919	0.7
106.06623	0.7
109.02937	1.2
113.02436	0.9
115.00400	1.0
115.56521	0.7
117.03458	2.2
120.99626	0.9
124.01654	5.1
125.02454	1.3
137.02466	3.3
138.03206	1.8
139.00305	0.9
139.03999	6.7
140.03120	0.6
141.16188	0.6
145.02946	8.9
147.04494	1.1
152.04845	1.0
153.05499	0.9
154.44360	0.7
163.03984	0.9
174.03244	2.6
175.02463	2.2
175.04004	2.9
176.04060	1.5
177.05554	1.1
187.03902	0.7
189.05548	2.0
191.05544	0.8
191.07100	0.8
197.93527	0.7
206.05852	2.5
207.06525	2.1
219.06485	0.8
220.07428	0.8
221.08109	4.8
228.05441	1.0
233.08345	0.8
250.08498	1.2
254.05757	0.7
255.11436	1.0
256.03784	1.0
271.05890	0.8
280.03656	2.0
281.04636	4.3
281.09253	6.7
283.06082	1.3
284.07086	1.1
285.07870	1.4
295.06274	1.0
297.03967	1.5
298.04739	3.1
299.05679	1.9
299.10275	2.7
300.06491	1.1
301.07114	3.4
302.07706	0.8
311.05585	2.1
312.06155	3.6
313.07123	14.1
314.07703	2.1
315.08792	1.8
325.06976	1.0
326.07971	2.7
327.08640	11.4
327.12250	1.0
328.05704	1.1
328.09079	2.5
329.06598	7.4
329.10272	3.4
341.10071	1.3
343.08188	10.7
343.11835	1.5
344.08929	14.7
345.09271	1.8
348.26639	0.7
357.09985	1.0
358.10535	36.1
359.11301	61.6
360.11612	5.6
373.12866	55.8
374.13312	5.7
381.78595	0.7
383.13370	5.9
387.08185	1.1
389.12308	15.7
390.12872	1.4
402.13214	0.8
403.62872	0.9
404.14725	55.4
405.15042	6.1
419.17099	100.0
419.26587	2.6
420.17419	12.4
420.22491	1.2
429.43256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24228	1.3
58.00574	2.6
59.01373	100.0
59.04303	1.4
60.99297	1.7
61.98823	4.6
68.05051	1.4
69.76987	7.6
71.01376	54.0
72.99306	4.5
73.02946	2.6
74.02468	1.7
83.01382	3.0
85.02933	9.0
87.00878	6.3
88.98798	6.3
89.02433	72.0
93.03454	3.6
95.01377	2.0
96.96000	34.5
96.96951	1.7
98.19746	1.5
99.05661	2.8
101.02435	31.3
102.33865	1.4
104.09498	1.4
113.02431	21.1
119.03480	30.5
120.99632	2.2
121.02961	1.5
125.02383	2.6
128.03510	4.9
131.03465	4.4
135.04488	3.2
137.02391	9.9
143.03455	5.2
143.04599	6.8
149.02431	5.3
149.04469	1.9
161.04489	7.4
161.24837	1.5
162.93820	1.6
163.04057	2.0
164.04778	25.6
165.05428	2.5
166.05838	1.6
167.03502	2.7
173.41272	1.4
177.01933	3.7
179.05563	19.3
179.07101	37.3
197.08130	3.7
210.08702	1.8
241.00044	2.6
254.07819	3.1
272.08911	2.4
306.07651	10.0
327.10703	2.2
359.13367	12.7
419.02628	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	419.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	1.8
59.01372	100.0
61.98821	5.3
70.03838	3.5
70.04250	2.3
71.01372	30.7
72.99294	3.1
73.02943	2.9
80.06148	1.1
80.76730	1.0
83.01377	2.9
83.05026	1.7
84.02139	1.1
85.02953	6.6
87.00874	3.7
89.02432	22.4
93.03449	1.8
95.01381	2.5
96.96011	5.8
97.02952	2.0
98.19991	1.7
99.00900	1.5
101.02433	15.1
109.02935	4.3
109.06572	1.7
111.00896	1.1
113.02427	11.5
113.30267	1.4
119.03498	7.9
120.99668	1.8
121.02930	1.4
121.06597	2.9
122.03703	1.4
123.04504	6.0
125.06079	2.3
135.04399	1.3
137.02434	3.1
137.06026	1.2
138.02794	1.1
139.07620	2.1
143.03506	1.9
145.03015	1.1
145.06578	2.5
147.04495	1.5
149.06102	1.5
151.03984	2.9
158.27084	1.3
161.04591	2.4
161.06003	2.7
163.07643	1.9
165.05551	3.0
171.46346	1.1
179.05620	2.1
179.07109	5.5
183.06508	1.8
189.05466	1.6
193.08682	1.9
197.08170	4.7
205.05087	2.3
228.07933	1.3
237.07634	1.4
239.09174	1.5
327.10803	55.2
328.11139	5.0
359.13385	40.1
360.13785	3.9
401.08664	11.1
402.08850	1.3
419.09949	8.9
419.15115	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	419.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.1
61.63905	1.3
64.44276	1.5
69.58544	4.4
69.58965	5.0
71.01362	3.6
83.05022	1.5
85.02904	2.3
87.00862	2.1
89.02423	2.6
93.03414	1.2
96.61096	1.6
98.20602	1.8
101.02428	3.4
101.06058	2.1
115.07625	3.8
115.26997	1.4
125.02410	1.5
132.04541	3.0
136.04047	1.9
145.02939	6.0
153.18294	1.5
160.04050	1.8
168.08311	1.7
169.05313	1.5
176.03569	2.9
182.05980	1.6
184.06290	3.6
184.07652	16.1
187.08751	4.2
191.05670	1.6
197.04788	13.1
198.04202	1.6
199.05113	4.8
199.08734	5.8
210.07762	2.0
211.06696	1.5
211.08698	6.6
212.05865	26.8
212.07347	11.4
212.10733	11.6
213.06595	16.9
213.10321	1.3
214.07111	1.5
215.78304	1.4
225.06665	3.0
226.07390	4.0
227.08237	49.6
228.08762	9.6
237.06740	1.8
238.07216	3.2
240.05334	8.8
240.08907	3.0
244.09708	6.3
248.44772	1.4
253.09790	6.7
255.07707	40.8
255.11336	20.8
256.07959	3.2
256.11813	3.0
257.09494	1.8
265.06091	5.3
266.06934	26.5
267.07184	1.9
281.09308	27.8
282.09851	2.6
287.10352	58.2
288.10825	2.1
298.84769	1.4
299.06970	2.7
299.10321	42.9
300.10635	4.0
307.07178	8.6
313.11832	5.4
325.08249	67.1
326.08698	7.4
331.09302	100.0
332.09576	10.5
343.09250	7.3
357.10800	9.8
362.07648	1.4
383.13129	3.1
383.17548	2.8
387.08203	5.2
419.10657	8.9
419.18375	2.7
419.23077	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	419.1344
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01866	0.9
57.03434	0.6
59.01372	38.7
61.98823	1.3
70.00105	1.0
70.00517	1.5
71.01373	6.5
73.02952	2.2
80.83272	0.4
81.03446	0.5
83.01382	0.9
85.02941	2.9
87.00886	0.8
87.04518	0.8
89.02435	3.8
93.03439	4.3
95.01363	1.3
99.00898	0.5
101.02434	4.0
106.04227	11.9
107.05016	28.3
108.02160	2.3
108.05360	1.3
109.02921	1.2
109.16433	0.5
113.02440	2.7
119.03501	1.7
119.05006	1.9
120.99682	0.4
121.02955	4.7
123.04495	0.7
137.02429	0.8
138.03183	0.8
150.03186	0.7
151.04004	1.6
161.04565	0.9
171.08127	0.6
175.07654	0.5
179.05545	0.7
182.02238	0.6
205.12306	0.5
211.07610	10.8
212.07895	1.0
213.09177	71.1
214.09508	5.6
257.08185	9.1
299.09152	0.5
329.13849	0.7
359.20676	2.4
392.60864	0.5
419.13422	100.0
420.13779	12.3
420.19131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1551
Annotation	Lamioside
Peak:m/z	Relative Intensity
55.01835	2.0
57.03427	1.9
59.01375	77.1
60.36740	1.8
61.98799	5.0
69.03421	5.8
71.01378	35.7
72.99281	2.9
73.02544	2.7
73.02941	54.4
75.00846	2.3
83.01376	24.1
83.04972	1.8
85.02920	6.8
87.00858	2.5
87.04497	3.6
89.02418	10.4
95.04977	3.5
99.00887	1.8
99.04490	2.4
101.02431	46.0
109.06549	2.2
113.02441	22.2
115.03940	2.1
117.05563	74.3
119.03435	5.8
123.04482	3.3
131.03430	5.0
141.05499	1.6
150.37206	1.4
155.06946	1.4
159.06641	18.5
161.04445	5.3
161.05772	2.1
163.38033	1.4
177.09109	5.3
179.07085	2.0
183.06499	2.3
189.07591	6.6
195.13846	2.4
239.09160	6.3
256.14178	1.6
257.10333	1.7
344.08957	2.1
358.10333	4.9
359.11322	7.2
359.16779	4.2
363.07687	1.6
373.12592	5.0
375.20026	3.5
389.12314	2.6
401.09491	1.8
401.14334	2.7
404.14499	5.6
419.15323	100.0
420.15604	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	419.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55568	1.0
59.01372	4.2
66.58523	1.0
69.12737	1.0
69.67883	6.6
69.74827	1.0
71.01376	1.5
77.16924	1.0
82.23824	1.1
83.22013	1.1
85.02966	1.6
87.04525	0.9
88.98773	1.9
89.02413	1.9
101.02432	1.5
117.45094	1.0
117.65380	0.9
136.04051	1.9
150.05579	1.1
151.09497	1.1
160.04001	3.1
168.17664	1.3
184.06281	2.8
184.07666	10.6
184.95872	1.1
185.08199	1.1
196.06387	1.1
197.04842	7.4
198.04102	1.1
199.05101	4.4
199.08740	3.0
203.00371	1.2
205.63484	1.0
211.06369	1.8
211.08617	2.2
212.05586	19.3
212.07379	5.5
213.06596	12.8
225.06566	1.1
226.05058	1.4
226.07353	2.6
227.08223	40.7
228.08775	6.2
236.05672	1.7
239.05675	1.1
240.05414	4.4
244.09729	4.3
253.09787	3.2
255.07693	33.7
256.07843	2.3
259.84821	1.1
265.06061	2.0
266.06912	11.8
267.07452	1.1
281.09302	19.4
282.09460	2.5
287.10336	62.3
288.10751	5.4
299.07062	1.9
299.10309	7.0
313.11887	4.5
317.63068	1.3
325.08093	1.3
331.09305	100.0
332.09720	7.5
343.09290	2.2
357.10870	13.6
358.11169	1.1
359.08792	6.8
387.08157	3.7
419.10828	22.3
420.10999	3.2
440.54150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0979
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
51.92846	0.3
55.01875	0.5
57.03435	0.6
59.01374	10.0
59.19567	0.3
60.01706	0.5
61.01789	0.4
69.03449	1.4
71.01377	13.9
71.30055	0.3
72.01712	2.4
72.99305	0.8
73.01788	0.8
73.02936	2.7
74.03306	0.5
75.00857	0.4
79.01876	0.4
81.03455	0.5
83.01385	1.3
84.01689	0.4
85.02942	6.9
85.57489	0.3
86.03265	1.0
87.00872	0.8
87.04491	0.4
89.02426	4.1
90.02763	0.4
93.03445	0.7
95.01369	1.5
96.01708	0.5
96.96016	0.4
97.02937	1.3
97.34572	0.3
99.00849	1.6
101.02431	6.8
102.02769	1.3
107.01386	1.2
107.05022	0.4
108.02163	58.1
109.03004	5.8
113.02418	4.7
114.02753	1.3
115.16327	0.4
119.03484	1.9
119.04998	0.5
120.03809	0.5
120.99611	0.6
121.02943	38.6
122.03279	1.5
123.00876	0.9
123.04478	0.3
125.02441	2.0
130.34526	0.4
133.02950	0.7
135.04491	0.9
135.69260	0.3
137.02405	2.4
139.00368	0.3
143.03436	0.4
145.02962	2.3
147.04500	1.3
149.02426	0.3
151.00371	2.4
151.03954	2.5
152.01134	100.0
153.01811	6.0
155.10751	1.3
159.03001	1.0
159.08307	0.3
160.03302	0.4
161.02419	0.4
161.04538	4.5
162.03256	0.4
162.04872	1.9
163.03961	3.5
163.05049	0.4
165.01918	0.5
166.02718	0.6
167.03491	0.4
173.02394	0.6
174.03207	1.7
175.03981	6.9
176.04735	1.9
177.01985	1.8
177.05537	0.8
179.03513	0.9
180.04268	2.6
181.05003	0.6
188.04765	1.4
189.05531	2.4
190.06316	8.7
190.08028	0.5
191.03363	0.4
191.07083	5.9
192.04253	0.5
193.05042	3.0
194.05782	2.1
195.02859	0.4
203.07089	1.0
205.08672	5.7
207.06638	2.5
208.07388	4.3
222.08961	0.9
297.06091	9.8
374.13461	0.7
389.16010	27.5
390.16367	3.2
418.25220	2.7
419.09763	67.8
419.18707	2.4
419.25604	3.1
420.10077	8.3
424.66187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88424	0.7
59.01090	1.5
59.01375	19.5
61.98826	13.2
69.26816	2.5
69.27234	5.0
71.01357	5.3
71.04998	1.8
73.02952	1.8
77.53487	0.6
85.02935	2.6
87.00861	1.9
87.04505	1.2
88.40816	0.7
89.02438	2.4
96.96001	3.5
98.20743	1.5
101.02423	3.6
101.06069	2.7
111.04507	1.1
113.02441	2.4
117.05557	5.8
119.03570	0.7
125.02467	1.1
130.95509	0.7
131.07144	1.1
132.04449	0.8
143.07147	6.8
147.03218	0.9
149.06090	0.8
150.05641	0.9
153.44675	0.8
153.45975	0.8
159.06657	1.2
161.04567	2.1
165.09113	0.7
174.05531	1.8
175.02449	1.0
182.06131	1.3
183.06883	3.1
188.03261	0.7
193.88971	0.7
195.06874	1.6
198.05569	23.9
199.06129	1.8
204.02803	0.9
210.09229	5.8
211.09644	0.8
212.10757	2.6
213.03046	2.5
213.08093	1.1
225.06682	2.0
226.05084	11.4
226.07066	1.4
227.05933	8.9
228.05341	54.1
228.10207	3.2
229.05731	3.9
236.05522	1.4
238.07466	3.6
238.09143	1.4
239.08197	0.9
239.12856	1.3
240.06618	2.2
240.08856	1.4
241.07370	2.0
243.07706	40.0
244.07982	1.4
253.09792	8.7
255.08966	5.7
255.11443	4.8
256.09744	20.5
257.09930	1.6
265.06119	2.8
266.06915	22.6
267.07123	1.5
271.10846	10.0
272.11240	0.9
281.09296	20.0
281.70712	0.9
282.09805	1.2
287.10294	0.9
293.12277	2.7
298.06055	1.3
299.10333	100.0
300.10638	10.3
343.09286	14.4
344.09604	1.5
347.17117	0.9
359.16464	1.6
375.11542	1.0
377.18210	2.9
387.08270	11.7
419.10278	4.9
419.14108	1.3
419.19656	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	419.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92846	0.3
55.01875	0.5
57.03435	0.6
59.01374	10.0
59.19567	0.3
60.01706	0.5
61.01789	0.4
69.03449	1.4
71.01377	13.9
71.30055	0.3
72.01712	2.4
72.99305	0.8
73.01788	0.8
73.02936	2.7
74.03306	0.5
75.00857	0.4
79.01876	0.4
81.03455	0.5
83.01385	1.3
84.01689	0.4
85.02942	6.9
85.57489	0.3
86.03265	1.0
87.00872	0.8
87.04491	0.4
89.02426	4.1
90.02763	0.4
93.03445	0.7
95.01369	1.5
96.01708	0.5
96.96016	0.4
97.02937	1.3
97.34572	0.3
99.00849	1.6
101.02431	6.8
102.02769	1.3
107.01386	1.2
107.05022	0.4
108.02163	58.1
109.03004	5.8
113.02418	4.7
114.02753	1.3
115.16327	0.4
119.03484	1.9
119.04998	0.5
120.03809	0.5
120.99611	0.6
121.02943	38.6
122.03279	1.5
123.00876	0.9
123.04478	0.3
125.02441	2.0
130.34526	0.4
133.02950	0.7
135.04491	0.9
135.69260	0.3
137.02405	2.4
139.00368	0.3
143.03436	0.4
145.02962	2.3
147.04500	1.3
149.02426	0.3
151.00371	2.4
151.03954	2.5
152.01134	100.0
153.01811	6.0
155.10751	1.3
159.03001	1.0
159.08307	0.3
160.03302	0.4
161.02419	0.4
161.04538	4.5
162.03256	0.4
162.04872	1.9
163.03961	3.5
163.05049	0.4
165.01918	0.5
166.02718	0.6
167.03491	0.4
173.02394	0.6
174.03207	1.7
175.03981	6.9
176.04735	1.9
177.01985	1.8
177.05537	0.8
179.03513	0.9
180.04268	2.6
181.05003	0.6
188.04765	1.4
189.05531	2.4
190.06316	8.7
190.08028	0.5
191.03363	0.4
191.07083	5.9
192.04253	0.5
193.05042	3.0
194.05782	2.1
195.02859	0.4
203.07089	1.0
205.08672	5.7
207.06638	2.5
208.07388	4.3
222.08961	0.9
297.06091	9.8
374.13461	0.7
389.16010	27.5
390.16367	3.2
418.25220	2.7
419.09763	67.8
419.18707	2.4
419.25604	3.1
420.10077	8.3
424.66187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
56.00866	0.2
57.03445	5.8
58.00581	2.2
59.01374	49.3
60.01718	0.5
64.10964	0.3
68.99821	0.3
69.03447	0.8
70.21908	0.2
71.01376	100.0
72.01707	1.4
72.99306	2.8
73.02940	26.1
74.03303	0.5
75.00858	2.3
81.03445	0.6
83.01382	10.2
84.02192	0.7
85.02944	43.4
86.03276	0.7
87.00874	3.4
87.04504	2.6
89.02435	29.6
90.02791	0.5
92.26627	0.3
95.01381	7.6
95.35908	0.3
96.96009	0.4
97.02943	2.3
98.20635	0.6
99.00870	12.8
101.02435	57.1
102.02766	1.2
111.00881	1.3
113.02438	43.6
114.02773	1.1
115.04019	0.4
119.03491	13.1
120.03878	0.5
125.02429	2.2
129.01917	1.6
131.03485	1.3
143.03497	5.2
149.04556	1.1
159.02977	8.7
161.04541	54.6
162.04869	1.9
179.05602	3.5
185.13303	0.3
205.03517	1.2
255.19586	2.7
256.20236	0.3
272.39624	0.3
279.33978	0.3
297.20682	0.6
337.15610	0.3
417.24942	41.3
418.25287	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	417.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09178	0.4
59.01374	100.0
60.01718	1.1
70.64732	1.3
84.61550	0.5
106.87559	0.5
118.82634	0.5
149.08101	0.4
192.49875	0.4
201.32764	0.4
227.34120	0.5
250.75882	0.4
335.25156	0.4
417.22757	0.6
419.15860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2277
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
51.89488	0.5
57.03432	0.9
58.67402	0.6
59.01379	2.9
63.02382	1.9
65.00321	0.9
71.63068	0.6
77.00679	0.7
81.03447	0.9
83.01376	0.7
107.01410	1.5
121.02950	1.2
125.02428	6.2
149.02414	2.1
151.00328	1.9
161.02397	1.3
187.58315	0.5
190.02690	12.1
203.03477	1.7
211.55299	0.6
223.20618	0.8
238.91240	0.6
247.20602	2.7
263.23834	0.6
265.21616	0.7
287.23712	1.6
289.21692	1.1
307.22559	1.2
331.22705	3.9
334.93585	0.6
337.21628	2.0
339.22375	1.4
349.23843	3.5
355.22760	4.0
357.20505	1.0
373.23773	2.6
399.21722	43.1
400.22098	4.7
400.56482	0.6
417.22778	100.0
418.23123	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	417.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05592	0.4
55.01875	6.8
57.03445	5.2
58.00588	2.5
59.01375	72.1
60.01710	0.8
61.91603	0.5
68.99840	0.4
69.03439	0.7
71.01376	100.0
72.01723	2.1
72.99306	3.5
73.02940	25.6
74.09914	0.4
75.00874	1.5
75.58092	0.4
81.03448	0.4
82.97212	0.4
83.01379	11.3
84.02155	0.7
85.02942	40.9
86.03288	0.4
87.00863	4.1
87.04494	2.1
89.02436	41.4
90.02730	0.6
95.01369	7.6
97.02935	1.9
98.19840	1.1
99.00874	10.6
101.02435	68.7
102.02768	0.9
111.00893	0.8
112.01671	0.5
113.02442	42.7
114.02776	0.8
115.04025	0.6
119.02632	1.0
119.03490	15.9
121.02934	0.5
125.02433	2.0
129.01949	1.3
131.03500	1.8
133.02942	0.8
135.04544	0.8
143.03479	6.1
149.04497	1.0
159.02979	9.1
161.02609	3.3
161.04539	56.0
162.04904	2.0
179.05577	5.3
194.68521	0.4
205.03531	0.9
255.19621	3.4
256.20084	0.6
323.07727	1.4
394.62604	0.4
417.24890	70.9
418.25204	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	417.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88453	1.0
55.01870	3.3
57.03437	2.7
59.01374	100.0
61.98828	6.5
69.03455	1.4
70.10566	3.9
71.01376	53.4
72.01727	0.9
72.99307	2.7
73.02939	17.0
74.99094	1.0
75.00862	2.4
83.01376	5.8
85.02940	24.8
87.00864	3.4
89.02438	7.5
95.01371	2.7
96.96021	2.0
97.02934	3.3
99.00875	7.1
101.02436	35.1
105.01891	1.2
111.04517	1.4
111.08147	3.6
113.02444	24.0
115.04000	1.4
119.03511	1.2
121.02942	13.5
125.02421	1.9
135.03027	1.5
135.04529	6.4
139.07645	35.6
143.03485	3.8
146.01219	0.9
149.21918	0.8
151.04086	1.1
159.02928	7.5
161.04546	75.8
162.04851	2.6
165.01871	2.5
179.05620	1.1
180.04219	2.2
181.85411	0.9
191.05376	0.9
195.06581	4.3
195.10222	8.8
205.03520	2.3
217.60028	1.0
295.10349	1.7
297.70865	1.0
333.14127	0.9
336.21313	0.9
357.15555	26.5
358.15814	2.3
417.12915	2.0
417.17648	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03437	2.6
58.00582	0.9
59.01376	100.0
60.01696	1.6
61.98798	1.0
64.96393	0.9
67.99075	1.1
69.61506	6.8
71.01380	44.1
71.05000	2.6
72.99306	2.4
73.02937	13.4
74.37090	0.9
83.01385	5.1
85.02941	19.7
87.00864	2.0
89.02440	5.2
93.96108	0.9
95.01398	4.1
97.02930	2.3
98.20627	1.1
99.00879	6.0
101.02440	31.4
105.01954	1.1
113.02444	19.6
115.03937	1.1
119.03477	1.0
121.02937	2.1
125.02435	2.6
129.01968	1.1
137.02484	1.0
143.03493	2.6
150.09291	1.0
159.03008	4.4
161.04539	58.0
162.04897	2.5
165.09184	14.9
167.67567	0.9
179.81561	1.1
187.41753	1.0
236.60854	0.9
245.96057	1.0
255.12296	1.2
319.10303	2.6
357.15506	37.7
358.15808	3.2
417.12924	1.7
417.17844	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.2
58.00560	0.8
59.01374	28.3
60.01705	1.0
61.98801	3.5
69.03441	4.2
71.01379	20.3
71.05000	1.6
71.62826	0.9
72.99290	2.3
73.02943	3.6
74.99081	0.8
81.03426	0.9
83.01376	1.9
83.72772	0.7
85.02934	6.6
87.00862	2.9
87.04488	1.6
89.02435	71.0
90.02765	0.9
93.03419	1.9
95.05009	1.5
96.95987	1.7
97.02914	1.6
99.00853	1.1
101.02444	11.1
101.06064	1.9
102.98609	1.4
107.04987	2.6
109.02965	1.1
109.06542	1.8
111.04465	0.9
111.08115	1.7
113.02447	4.8
113.06099	1.1
115.07599	2.5
119.03468	3.1
120.99602	1.1
123.00877	0.9
123.08093	1.0
125.02410	3.5
125.05939	0.9
127.07652	5.8
131.03488	1.5
133.02899	1.4
135.04506	4.2
137.02408	3.1
137.06030	2.6
139.11273	6.0
143.03488	1.5
143.07021	0.8
145.02910	3.8
149.06062	7.6
151.00398	1.1
153.09187	0.8
155.07100	4.9
155.10817	0.9
161.04469	2.3
164.01175	1.2
165.01886	1.3
165.09187	1.5
175.07504	1.0
176.04736	0.9
179.03474	2.6
183.10246	9.1
195.10252	2.3
197.11797	1.9
205.08609	1.4
225.11264	4.3
233.06662	4.6
251.07678	19.4
252.08076	1.0
255.02928	1.0
255.10202	9.5
255.16003	1.1
256.03729	1.1
259.02423	0.8
281.06622	1.5
284.00217	1.4
284.03259	21.0
285.04004	13.1
287.13025	0.9
290.21988	0.7
357.13858	1.0
357.22745	1.9
367.11572	1.0
375.23907	1.1
381.11899	1.4
399.14407	1.2
399.19901	1.0
417.08789	19.1
417.17441	100.0
418.08569	1.6
418.17722	12.2
440.83450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01717	0.7
61.98828	1.0
64.29971	0.4
69.28276	2.0
69.28706	1.9
71.01374	0.8
71.84260	0.4
74.18693	0.3
75.00847	0.4
75.69151	0.3
85.99744	0.4
86.04371	0.4
88.98814	0.9
89.02477	0.4
113.02448	0.5
119.13188	0.4
147.96552	0.4
155.10863	0.4
175.04121	0.5
177.81120	0.4
246.59485	0.4
313.77859	0.4
417.12012	0.4
417.21222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.57394	0.3
57.03451	0.8
59.01373	100.0
60.01708	0.9
69.56442	0.3
69.59283	1.9
69.59708	0.6
71.01376	16.3
72.99334	0.5
73.02943	4.8
74.98772	0.3
78.75653	0.3
79.34586	0.3
83.01376	2.3
85.02939	6.5
87.00838	0.6
89.01900	0.6
89.02432	8.7
90.80206	0.4
95.01380	1.0
96.95995	0.7
97.02898	0.4
99.00867	1.9
101.02434	11.5
102.02762	0.4
109.80436	0.3
113.02431	7.0
119.03489	4.2
125.02424	0.4
129.01958	0.4
131.03494	0.3
133.02940	0.6
133.27202	0.3
143.03458	1.0
151.00417	0.5
159.02927	1.2
161.04533	8.7
162.04869	0.4
167.91220	0.3
170.67415	0.3
179.05473	0.5
181.73349	0.3
204.07179	0.3
263.79214	0.4
285.04019	6.2
286.04260	0.6
356.13046	0.5
357.15063	0.5
357.19147	8.1
358.19458	0.6
417.15805	0.7
417.20941	12.0
418.21417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.5
59.01372	56.1
59.18070	1.3
61.98811	3.8
69.03479	1.3
70.14427	6.1
71.01379	25.4
72.99271	3.2
73.02920	7.1
74.99064	1.8
75.00838	3.5
83.01366	2.0
85.02944	8.2
87.00865	3.0
89.02434	35.7
93.03448	37.9
94.03795	1.7
95.01380	2.7
96.95937	1.8
98.20034	2.0
99.00855	5.0
101.02434	19.5
109.02931	2.1
113.02444	8.2
119.03481	8.4
123.00871	2.0
123.04492	1.7
124.70979	1.4
125.02412	2.0
131.03444	2.5
135.02930	1.7
135.06570	3.7
136.01619	5.8
137.02428	100.0
138.02840	2.8
139.03960	5.2
139.26018	1.3
143.03462	1.8
149.04556	8.8
151.03957	4.1
158.81273	1.5
161.04488	3.5
163.03978	1.7
167.03387	2.9
170.06520	1.5
179.02274	1.3
179.03491	15.7
179.05592	7.4
179.06902	1.6
191.05544	3.9
192.05751	1.4
199.61792	1.3
205.12411	1.2
209.04512	2.4
209.08231	2.5
211.95137	1.3
212.83075	1.4
219.10025	1.3
239.05499	11.7
268.76407	1.3
281.06375	2.3
323.65048	1.2
417.13800	90.4
418.14053	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	417.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.9
59.01376	7.6
59.50949	0.5
61.98834	3.6
69.03448	0.6
70.26924	2.1
70.84421	0.4
71.01375	4.6
72.99289	0.6
73.02918	0.9
75.00822	0.8
83.01405	0.6
85.02942	0.9
87.04537	0.5
89.02435	3.7
93.03448	11.9
95.01376	0.6
96.79585	0.6
96.96029	1.2
97.02962	0.6
98.20552	0.5
101.02431	1.4
107.01372	0.6
107.05013	13.8
109.02991	0.6
113.02441	1.3
117.03488	0.9
119.03498	0.9
119.05014	8.6
121.02937	1.5
123.00876	1.5
123.04493	3.3
124.01624	2.9
125.02433	12.0
131.03467	0.7
133.03049	0.5
135.03020	0.9
135.04509	7.2
136.01668	1.1
137.02437	17.6
137.03488	1.0
138.02716	0.8
147.04504	47.0
148.04814	1.6
149.04547	1.9
149.06090	4.4
149.99562	5.4
151.00279	0.7
151.03992	2.0
161.04517	0.9
163.03963	1.3
165.05547	100.0
166.05907	4.3
168.00635	11.2
169.01372	0.5
175.03709	0.6
177.05557	10.9
178.05907	0.9
179.03490	0.9
179.05623	0.5
191.05586	5.2
191.07115	0.8
192.05937	2.5
193.05037	0.6
195.06580	1.7
201.05569	2.2
230.30312	0.5
237.07703	0.7
265.12570	0.6
293.08633	0.6
299.07800	1.1
313.05603	0.7
327.10785	0.6
331.06696	7.8
332.07019	0.8
339.10727	0.7
355.06668	0.8
373.07639	10.8
374.08221	0.6
417.14246	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	417.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59274	0.7
59.01375	43.2
60.01697	1.0
61.98797	1.3
68.41750	0.7
68.99787	0.9
71.00986	1.1
71.01371	18.9
71.07168	0.7
71.07523	1.9
72.99286	3.2
73.02922	3.0
75.00854	0.8
81.03459	1.3
83.01369	1.5
85.02943	6.1
89.01904	1.4
89.02432	20.7
91.62286	0.9
93.03446	37.5
94.03769	1.4
95.01382	2.0
99.00874	0.7
101.02435	11.5
102.58550	0.7
108.02183	0.9
113.02437	9.2
119.03506	6.5
123.04509	1.1
125.02415	0.8
131.03487	1.3
135.04451	1.0
135.06639	3.8
136.01625	6.5
137.02432	100.0
138.02742	5.3
138.99536	0.7
143.03430	1.7
149.04535	1.4
151.03981	3.8
161.04500	1.6
166.70792	0.7
167.03471	1.2
168.00522	0.8
179.03484	25.2
179.05548	5.7
180.03731	1.4
202.64499	0.7
209.04517	3.4
221.04555	0.9
239.05566	17.7
281.06610	3.4
299.07571	1.5
349.69562	0.8
403.17477	0.8
417.13831	99.3
418.14008	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	417.1187
Annotation	Robustaside A
Peak:m/z	Relative Intensity
52.65458	0.3
55.01858	0.7
57.03432	0.8
59.01375	9.8
59.16709	0.3
59.17284	0.3
61.98800	0.4
69.79748	1.7
71.01378	12.0
72.99284	0.3
73.02934	3.4
83.01366	1.4
85.02946	5.5
87.00848	0.5
87.04512	0.3
89.02430	4.6
95.01362	1.5
98.19848	0.3
99.00880	1.5
101.02432	9.6
106.02692	0.3
108.02164	1.4
108.84149	0.3
109.02941	100.0
110.03281	2.8
113.02437	5.9
117.03453	18.1
118.03770	0.7
119.03496	2.3
119.05013	3.9
139.49767	0.3
143.03484	0.7
145.02937	92.4
146.03270	4.2
159.02916	1.0
161.04553	6.7
163.03987	6.3
164.04324	0.6
165.71838	0.3
169.67017	0.4
179.05571	0.9
220.30954	0.3
271.08182	11.7
272.08502	0.9
288.95395	0.3
307.08173	6.4
308.08679	0.7
417.11960	1.9
417.19818	0.5
417.24957	8.5
418.25058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.3
59.01374	1.3
62.23581	0.3
68.12614	0.3
69.03363	0.3
69.60152	0.5
69.60564	1.2
71.01378	2.7
73.02942	1.1
80.58240	0.3
85.02931	1.9
89.02468	0.4
95.01414	0.7
96.96008	1.8
99.00904	0.5
101.02424	1.6
103.38406	0.3
108.01445	0.4
108.02169	6.5
109.02946	8.5
110.03254	0.3
113.02450	1.2
117.03455	25.1
118.03799	1.1
119.05019	6.1
121.02927	0.6
123.00864	0.3
136.00609	0.3
137.02441	0.3
145.02937	100.0
146.03267	5.0
161.04556	0.4
163.03987	5.8
222.52831	0.3
307.08173	10.2
308.08524	1.1
308.12094	0.3
417.11826	35.0
418.12204	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1185
Annotation	Robustaside A
Peak:m/z	Relative Intensity
55.01869	0.4
57.03434	0.4
59.01379	2.4
62.83658	0.2
71.01374	3.7
72.99319	0.3
73.02940	1.2
81.03421	0.2
83.01373	0.4
85.02947	2.7
89.02428	0.7
93.03424	0.3
95.01380	0.8
96.96032	0.3
98.19856	0.9
99.00835	0.3
101.02425	1.7
107.52164	0.3
108.02161	5.4
109.02948	9.2
113.02453	1.3
117.03455	27.4
118.03788	1.0
119.03546	0.3
119.05006	6.3
121.02946	0.6
123.00864	0.4
125.02472	0.4
137.02498	0.3
145.02942	100.0
146.03299	4.4
161.04550	0.6
163.03979	5.6
163.05342	0.3
187.03929	0.4
227.03575	0.3
241.31577	0.2
255.02950	0.7
284.03366	0.5
307.08197	11.1
308.08566	1.0
417.11859	35.0
417.20975	0.9
418.07074	0.4
418.12219	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	417.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03447	1.4
58.00584	0.7
59.01374	20.8
61.23616	0.2
61.98834	0.2
69.03461	0.6
70.47986	0.9
71.01375	24.2
72.99297	1.4
73.02943	4.8
75.00867	0.4
81.03449	0.4
82.84822	0.2
83.01376	3.4
84.21155	0.2
85.02944	9.4
87.00883	1.0
87.04512	0.9
89.02438	13.4
95.01398	1.5
97.02953	0.6
99.00878	2.0
101.02435	15.9
108.02154	1.4
109.02943	100.0
110.03280	3.4
111.00845	0.6
113.02440	9.7
114.02760	0.3
115.07649	0.7
117.03456	18.3
118.03796	0.7
119.03497	6.9
119.04996	4.3
120.05352	0.2
121.02949	1.4
124.01669	0.3
125.02438	3.3
129.01976	1.4
129.09224	1.0
131.03476	0.6
137.02441	4.0
137.09720	0.3
143.03465	1.4
145.02939	93.9
146.02107	0.2
146.03261	4.4
149.04594	0.4
151.04031	0.8
157.08662	0.3
159.02956	1.7
159.04248	0.3
159.10143	0.3
161.04541	9.5
163.03996	7.0
164.04439	0.3
165.01874	0.7
179.05580	2.9
183.72360	0.2
202.39195	0.3
222.59807	0.3
251.05597	0.3
253.07184	0.4
255.19617	1.3
271.08209	11.7
272.08524	0.7
279.33566	0.3
287.05453	0.5
288.06207	0.3
307.08179	6.5
308.08658	0.5
373.40298	0.3
385.12863	0.9
417.12204	2.4
417.16833	0.6
417.24902	14.4
418.12643	0.3
418.25223	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.2
61.86163	0.5
61.98810	0.7
71.09623	1.4
73.73861	0.5
99.00880	0.6
99.08139	5.1
109.06509	0.5
109.77135	0.6
120.91607	0.5
127.06764	0.7
127.07634	7.4
129.09142	0.8
141.12903	2.8
145.02901	1.1
145.08679	20.5
146.08951	0.6
155.14322	0.9
157.12267	0.6
216.84140	0.5
241.21715	0.8
269.21240	4.7
285.20618	2.2
287.22238	100.0
288.22574	9.3
415.30588	79.6
416.31009	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	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75844	1.1
59.01376	100.0
60.01703	1.7
60.63403	1.3
74.81693	1.4
86.76939	1.5
106.34510	1.4
118.71956	1.5
128.22331	1.2
136.76054	1.5
279.23199	1.4
415.15564	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3213
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
50.12748	0.4
53.17757	0.4
59.01365	2.0
61.98818	0.4
90.11183	0.4
125.15955	0.4
145.03046	0.5
216.70917	0.4
253.56474	0.4
377.23233	1.2
415.32141	100.0
416.32465	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	416.083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42264	0.5
59.01376	4.6
61.98822	10.9
69.62995	3.0
71.01369	2.3
72.97540	0.8
75.00877	0.6
85.02942	5.3
87.00867	1.2
88.98800	0.5
89.02440	3.0
93.03455	3.1
96.95983	0.6
101.02412	0.7
108.02170	0.7
113.02429	0.9
121.02946	1.6
123.04491	2.9
125.02448	1.4
127.03984	1.4
131.03548	0.6
134.03745	3.6
135.04109	2.2
136.01653	1.5
137.02486	3.1
141.31389	0.6
149.04584	0.9
149.06052	1.0
150.06450	1.3
151.04062	2.9
160.01767	0.7
161.02386	1.6
161.04448	0.6
170.96634	0.6
173.04559	1.0
178.02704	0.8
179.03412	1.1
191.05589	100.0
192.05865	3.5
193.05035	4.8
194.05362	6.1
233.06570	0.6
245.31723	0.5
254.07562	0.6
293.08841	0.9
353.08698	11.5
354.09100	1.1
417.13712	2.8
439.70633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.95187	0.3
56.90168	0.3
57.03447	1.2
58.00587	1.7
59.01374	55.4
60.01706	0.6
71.01376	22.2
71.62767	0.5
72.01708	0.4
72.99297	2.0
73.02940	1.2
76.68040	0.3
83.01370	1.8
84.02129	0.3
85.02947	6.4
86.34780	0.3
87.00879	0.9
89.02435	19.9
93.03436	0.4
95.01371	2.7
97.02871	0.3
99.00844	0.5
101.02429	12.9
102.02787	0.4
113.02436	7.4
117.03470	1.2
119.03481	5.7
119.04988	0.6
120.99653	0.6
123.04529	0.5
123.08176	0.5
125.02435	1.9
131.07108	1.4
137.02391	0.5
145.02940	4.7
151.61365	0.4
161.04617	0.5
163.04015	0.6
163.11278	5.5
167.03481	1.9
181.91214	0.3
189.62257	0.3
191.05670	0.4
191.14433	1.5
217.12314	0.6
217.16591	0.3
235.13358	11.2
236.13629	0.9
253.07060	0.6
253.14368	1.6
415.19653	100.0
416.19986	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	415.1969
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.67485	0.3
55.01865	1.6
57.03436	1.1
58.00597	1.7
59.01373	100.0
60.01701	0.9
69.03458	1.8
69.57277	2.2
71.01376	52.3
72.01714	0.5
72.99300	2.5
73.02940	80.4
74.03283	1.1
75.00861	0.9
81.03455	0.8
83.01379	21.4
83.05069	0.3
84.01715	0.5
85.02937	7.8
87.00862	2.1
89.02435	21.5
90.02731	0.4
93.03470	0.3
95.01370	2.8
97.02943	1.0
99.00867	2.3
101.02433	67.1
102.02768	0.9
111.00858	0.4
113.02441	16.4
113.06097	0.8
114.02756	0.4
117.03440	0.4
119.03493	7.5
120.99644	1.0
125.02425	3.0
127.07643	1.0
131.03488	4.8
143.03485	4.1
145.02951	1.1
149.04558	3.2
150.27379	0.3
155.03476	1.4
161.04543	11.5
162.04858	0.5
166.92012	0.3
179.05586	0.7
191.05681	0.3
193.12312	10.0
194.12631	0.7
197.28822	0.3
203.05577	1.1
211.13387	1.1
221.06708	0.5
239.19370	0.4
265.33209	0.3
267.06546	0.6
295.06064	1.3
355.17505	3.2
373.18607	8.7
374.19022	1.2
415.19659	27.7
416.19949	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.2
60.60550	0.4
61.98844	0.4
71.63020	0.8
74.99088	6.7
77.00657	69.4
78.00985	0.7
87.83141	0.4
112.49287	0.5
147.08142	1.5
149.09644	0.9
149.31187	0.5
161.09706	1.4
163.11230	2.6
187.11252	1.7
192.63898	0.4
195.53374	0.4
203.10878	0.5
279.23251	0.7
280.14633	1.4
307.16867	0.9
309.22116	2.3
337.21692	100.0
338.21979	11.2
376.93250	0.5
415.23071	18.3
415.31528	0.8
416.23376	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.3
58.00575	3.6
59.01373	100.0
61.98805	4.1
62.57140	1.3
71.01376	74.9
71.62679	2.3
72.01700	2.3
72.96436	1.4
72.99292	10.4
73.02937	4.7
75.00851	2.2
81.03436	1.6
83.01363	4.2
85.02937	16.0
87.00872	7.5
89.02432	93.1
90.02766	1.6
93.03449	10.5
95.01364	4.0
96.95950	1.4
97.02969	1.4
99.00843	5.4
101.02435	31.3
105.74891	1.5
109.02921	5.8
109.17792	1.7
113.02435	23.2
117.03458	3.3
117.05553	2.9
117.97241	2.1
118.98056	2.3
119.03487	23.8
120.01453	1.6
120.99640	3.8
121.02927	4.3
121.94035	1.5
123.04512	30.9
124.04767	1.8
125.02417	3.7
131.03476	14.5
135.02960	2.2
135.04478	2.9
137.02423	15.4
137.09747	1.9
143.03479	3.8
145.02951	10.9
146.03252	5.0
147.03468	1.6
149.04543	16.2
149.05754	2.0
151.03966	9.9
153.01901	5.0
153.05559	48.2
161.02446	3.3
161.04515	9.1
163.03995	3.0
163.11232	6.2
171.54396	1.4
179.03488	17.2
179.05556	6.7
191.05582	9.5
193.05028	3.4
193.08481	2.0
195.06667	2.0
217.12387	3.1
235.13290	4.9
265.07297	1.7
309.11447	1.7
320.48276	1.4
371.20776	1.7
379.19632	3.8
415.12039	13.1
415.15585	8.0
415.23465	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01712	1.1
66.29958	0.3
67.15852	0.3
69.55158	1.9
71.01374	4.5
72.07773	0.3
73.02954	1.0
83.01357	0.3
85.02941	1.7
89.02425	3.7
95.01383	0.3
99.00864	0.3
99.75306	0.3
101.02435	3.2
102.98591	1.0
113.02415	2.1
119.03497	1.7
120.99657	1.3
125.02477	0.5
143.03535	0.5
145.02980	0.6
159.03114	0.5
161.04564	2.2
163.03969	3.3
178.06329	4.0
178.34459	0.3
179.05557	0.4
193.08678	5.2
194.09122	0.4
297.04541	0.4
415.19510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
57.03448	3.5
58.00588	2.0
59.01373	100.0
60.01709	2.0
61.56549	0.7
61.98820	2.2
69.03451	0.8
69.33761	3.5
69.34182	2.2
70.08942	0.6
71.01374	50.0
71.05053	0.7
72.01740	1.3
72.99314	4.9
73.02942	5.1
75.95066	0.5
81.03447	0.6
82.95418	1.0
82.98878	0.6
83.01377	3.3
83.05017	0.7
85.02946	12.4
86.05735	0.6
87.00864	2.9
89.02433	42.3
91.01229	0.7
93.03447	27.7
95.01395	2.4
96.96012	1.9
99.00889	2.2
99.04495	1.2
101.01764	1.3
101.02436	28.3
102.02765	0.7
109.06637	0.7
113.02434	19.2
117.03432	1.5
119.03493	13.8
119.04941	0.8
120.99638	6.1
121.02901	1.1
125.02445	2.2
131.03462	1.1
133.05077	0.7
137.02426	69.1
137.99614	0.7
138.02795	2.8
143.03467	3.6
145.02936	3.7
146.03407	0.7
149.04588	1.3
151.00385	1.3
151.04030	2.9
153.01924	8.3
159.03035	1.3
161.04535	7.3
167.03491	1.2
168.04216	4.0
173.13394	2.5
179.03464	3.1
179.05568	3.9
179.10687	0.9
191.05608	2.8
209.04556	1.5
235.13347	5.1
239.05666	1.1
253.18059	1.5
277.09283	1.6
285.04129	1.0
355.17685	0.9
397.18536	1.4
415.12799	15.0
415.19821	73.8
416.12979	1.4
416.19852	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	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03437	2.8
58.00591	3.5
59.01374	96.8
60.01701	0.9
68.87606	0.7
69.03443	2.2
71.01375	48.0
71.62952	0.9
72.01720	0.7
72.99308	3.1
73.02938	2.4
79.01915	0.7
79.34109	0.6
83.01382	3.3
85.02949	11.5
87.00854	3.5
89.02435	51.0
90.02789	0.7
93.03453	1.5
93.42629	0.7
95.01369	7.0
96.95985	0.8
97.02964	1.8
99.00890	1.5
101.02427	22.6
101.03073	1.4
101.06065	11.2
106.45475	0.7
107.01400	1.0
108.02164	100.0
109.02969	23.6
109.22503	0.6
110.03271	0.9
113.02431	15.2
117.03452	6.5
119.03491	19.3
119.04910	3.8
120.99643	5.3
121.02923	5.2
123.00888	5.1
123.04498	1.6
124.01662	8.2
125.02440	24.5
131.03468	2.1
133.02921	1.6
134.03763	0.9
137.02428	1.8
143.03461	2.4
145.02936	25.5
146.03352	1.1
147.11778	1.1
149.04535	1.2
149.98462	1.2
149.99571	13.8
151.00305	1.7
151.03998	9.6
154.58701	0.7
161.04533	4.7
163.03966	5.4
165.01926	0.8
167.03427	1.3
168.00624	22.1
168.96539	0.8
169.01352	2.5
173.13335	12.8
179.05595	5.3
191.05553	1.5
227.06979	0.9
235.13368	3.2
245.10043	1.6
283.60275	0.8
285.04056	1.0
335.36417	0.9
355.13873	17.7
356.14310	1.9
397.11075	1.0
415.12466	40.6
415.19522	22.9
416.12924	3.5
416.19717	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	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03448	0.9
58.00588	3.0
58.45312	0.3
58.73751	0.3
59.01373	68.6
60.01701	0.9
69.03454	1.0
69.50143	2.4
71.01376	56.5
72.01713	0.7
72.99298	2.6
73.02940	16.7
83.01374	1.8
85.02944	5.9
87.00870	2.3
89.02436	100.0
90.02765	1.4
93.03460	0.6
95.01381	1.5
97.02934	1.8
98.95590	0.7
99.00869	28.8
100.01245	0.4
101.02432	35.2
102.29377	0.4
102.98578	0.9
109.02929	1.3
113.02437	10.4
115.03985	0.7
117.03437	0.4
118.98051	0.6
119.03499	8.1
121.02928	0.7
125.02429	4.8
131.03496	16.7
135.04527	0.7
137.02318	0.3
142.39819	0.4
143.03485	2.2
145.02925	1.2
146.03281	0.6
149.04539	57.3
150.04878	1.3
153.05531	0.5
161.04546	3.6
163.00352	0.4
165.03705	0.4
179.05597	3.3
191.05582	14.6
192.05949	0.4
221.06627	2.2
237.09599	0.5
251.07681	4.0
271.08292	0.4
283.04855	1.2
293.08688	0.7
297.47186	0.3
311.09714	0.7
415.15909	10.7
416.16138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01871	0.6
57.03448	0.9
58.00588	3.0
58.45312	0.3
58.73751	0.3
59.01373	68.6
60.01701	0.9
69.03454	1.0
69.50143	2.4
71.01376	56.5
72.01713	0.7
72.99298	2.6
73.02940	16.7
83.01374	1.8
85.02944	5.9
87.00870	2.3
89.02436	100.0
90.02765	1.4
93.03460	0.6
95.01381	1.5
97.02934	1.8
98.95590	0.7
99.00869	28.8
100.01245	0.4
101.02432	35.2
102.29377	0.4
102.98578	0.9
109.02929	1.3
113.02437	10.4
115.03985	0.7
117.03437	0.4
118.98051	0.6
119.03499	8.1
121.02928	0.7
125.02429	4.8
131.03496	16.7
135.04527	0.7
137.02318	0.3
142.39819	0.4
143.03485	2.2
145.02925	1.2
146.03281	0.6
149.04539	57.3
150.04878	1.3
153.05531	0.5
161.04546	3.6
163.00352	0.4
165.03705	0.4
179.05597	3.3
191.05582	14.6
192.05949	0.4
221.06627	2.2
237.09599	0.5
251.07681	4.0
271.08292	0.4
283.04855	1.2
293.08688	0.7
297.47186	0.3
311.09714	0.7
415.15909	10.7
416.16138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1393
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
55.01865	0.2
57.03435	0.2
59.01382	1.1
65.65762	0.1
69.53739	0.7
71.01377	1.2
72.99309	0.1
73.02943	0.5
81.97504	0.1
83.01385	0.3
85.02943	1.0
89.03946	0.2
95.01405	0.2
99.00871	0.2
101.02426	1.1
113.02441	0.5
116.02673	0.1
117.03457	29.0
118.03752	0.9
119.05014	11.1
120.05365	0.4
121.02954	0.4
123.79342	0.1
133.02982	0.1
145.02937	100.0
146.03275	4.5
147.04482	0.1
150.30428	0.1
162.03212	0.1
163.03993	10.7
164.04314	0.4
244.04480	0.1
288.16788	0.1
307.08298	0.2
415.13919	34.1
416.14230	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
58.00592	0.8
59.01373	70.6
60.01699	0.8
61.98809	2.4
69.74577	2.1
69.74989	2.1
71.01373	15.6
72.06670	0.8
73.02948	3.4
78.91873	1.1
83.01386	1.5
85.02950	5.9
87.00864	1.3
89.02431	9.0
95.01429	1.1
99.00861	0.9
101.02424	11.3
113.02436	6.3
117.03458	27.6
118.03765	1.6
119.03507	4.4
119.05006	10.2
121.02950	0.8
135.04541	0.9
143.03519	0.8
145.02937	100.0
146.03258	3.7
159.02913	1.2
161.04553	9.6
163.03999	18.2
163.05365	0.9
178.06345	1.9
179.05605	1.2
193.08672	44.2
194.09024	2.6
253.18054	1.4
262.08722	0.8
331.80737	0.8
415.14008	34.3
415.22849	6.9
416.14285	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	415.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
55.98973	0.1
57.03436	0.2
59.01377	1.0
69.39116	0.2
69.39523	0.6
70.73206	0.1
71.01373	1.4
73.02940	0.4
83.01388	0.2
84.48635	0.1
85.02935	1.0
89.02431	0.1
95.01363	0.2
98.20572	0.2
101.02425	1.1
113.02449	0.4
116.02665	0.1
117.03452	26.4
118.03783	0.9
119.05011	10.1
120.05362	0.3
121.02924	0.4
123.04509	0.2
145.02933	100.0
146.03271	4.2
161.04549	0.1
163.03989	10.9
164.04300	0.4
164.53685	0.1
187.98097	0.1
191.98268	0.1
225.98207	0.1
307.08185	0.2
415.13904	31.9
416.14236	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41434	0.8
57.03426	1.7
58.00565	1.1
59.01376	46.0
62.11102	0.8
69.03426	3.5
69.47658	6.5
71.01377	28.1
72.99285	2.7
73.02930	3.2
79.01854	1.1
81.03450	1.5
83.01363	3.2
85.02943	7.5
87.00849	2.2
89.02437	33.4
93.03455	1.0
95.01366	2.9
96.95983	1.6
97.02921	2.7
97.17872	0.8
99.00825	1.0
101.01768	1.2
101.02429	19.7
101.06036	3.4
107.01361	1.9
108.02144	0.8
108.04396	0.8
109.02944	1.0
113.02434	11.5
117.03452	24.1
119.03504	12.4
119.04989	7.5
120.03857	0.9
120.99646	9.0
121.02907	1.1
123.00881	6.3
124.01656	16.7
125.02436	61.4
126.02729	2.3
131.03419	1.3
136.01498	1.0
137.02390	3.2
143.03474	1.8
145.02937	80.9
146.03246	2.8
149.99565	31.4
151.00352	4.1
153.09192	1.3
159.02946	0.7
161.04588	4.4
163.04002	8.9
164.04366	1.0
167.03481	1.0
168.00627	60.5
169.01346	4.9
179.05547	3.5
191.05450	1.0
202.09290	0.8
235.13274	2.5
254.08217	1.1
353.19659	1.4
373.22226	1.4
397.11041	4.6
415.12509	100.0
415.19354	3.3
415.23624	2.1
416.13010	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	415.124
Annotation	Alpinoside
Peak:m/z	Relative Intensity
51.11909	0.2
57.03442	7.8
59.01374	0.5
70.25827	0.5
70.26218	0.5
71.01351	0.3
72.99311	0.4
76.91369	0.3
81.03448	2.5
83.01389	1.8
83.05009	3.4
93.03483	0.3
97.02947	0.3
98.20499	0.3
101.06073	0.4
102.95358	0.3
110.83715	0.2
123.04524	0.5
123.08160	1.9
123.43416	0.3
125.02433	100.0
125.06060	15.1
126.02773	3.2
126.06472	0.5
135.03030	0.3
139.04036	0.3
143.07170	0.5
145.05034	0.7
149.02412	6.9
150.02705	0.5
153.05638	0.5
165.09221	0.5
167.03485	0.5
167.75795	0.2
191.03491	0.4
235.06012	0.3
253.07133	60.6
254.07480	3.6
277.07144	1.9
287.07602	0.3
415.12207	4.2
416.12643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01375	38.5
60.52312	1.1
61.98816	6.7
69.03447	1.8
70.90064	2.2
70.99612	6.4
71.00988	1.6
71.01376	28.8
71.04977	1.2
72.99295	5.0
73.02927	5.1
75.00852	1.1
83.01366	2.6
83.05041	1.2
85.02956	11.6
87.00858	3.2
89.02434	26.6
92.98136	1.2
93.03450	46.9
94.03768	2.0
95.01386	5.7
96.96011	2.7
97.02946	1.8
99.00848	3.3
99.04487	2.3
101.02435	18.4
103.88879	1.1
105.01910	1.2
107.05076	1.7
108.02167	17.6
108.98916	1.3
109.02952	17.2
113.02439	11.4
115.03984	1.4
117.03425	1.9
117.05544	1.7
119.03493	10.3
119.04984	1.9
120.99634	2.5
121.02942	14.5
123.04489	4.4
125.02439	5.3
127.14208	1.3
129.01923	10.4
131.05029	12.2
133.05029	1.4
135.02959	1.3
135.04478	4.9
136.01653	20.1
137.02435	90.4
138.02750	3.9
143.03497	2.7
145.02924	9.6
146.03275	4.4
147.02985	1.9
149.02419	2.7
149.04541	2.2
151.03995	9.7
152.01146	17.7
153.01953	6.8
159.02895	1.4
161.04486	4.8
163.03983	3.4
165.03764	17.7
167.03490	9.6
169.66351	1.1
179.03482	72.5
180.03802	5.3
181.05075	2.3
193.08711	1.6
197.04466	1.3
209.04570	12.5
239.05582	44.3
240.05925	3.5
243.16002	1.2
255.05182	1.5
295.08087	6.9
295.10431	5.4
299.07663	3.9
300.08157	1.4
325.09232	1.8
327.08893	1.5
371.20651	2.5
415.12265	100.0
415.23740	6.3
416.12674	10.2
432.20544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
58.00578	1.6
58.68225	1.2
59.01098	2.0
59.01375	35.3
61.98833	8.3
62.41016	1.1
70.18884	4.5
70.99606	7.1
71.00985	1.6
71.01377	29.4
72.99287	4.0
73.02957	4.8
75.00866	1.5
78.00790	0.9
81.03459	2.2
83.01379	3.2
85.02943	10.4
87.00875	2.3
89.02431	26.9
93.03450	46.3
94.03782	1.6
95.01379	6.2
95.05004	1.8
96.95990	1.6
97.02933	1.6
98.20014	1.2
99.00835	1.6
99.04512	1.6
101.02439	14.7
107.04993	2.9
108.02167	22.8
109.02956	18.7
111.00890	1.2
111.87603	1.1
113.02441	12.7
117.03437	2.3
117.05548	2.1
118.24453	0.9
119.03489	10.9
120.99614	3.6
121.02950	8.9
123.00818	1.0
123.04533	4.9
125.02438	6.1
125.06041	2.2
129.01929	9.6
131.03503	1.2
131.05017	14.3
133.02904	1.4
135.02975	1.6
135.04492	3.6
136.00703	1.6
136.01662	21.3
137.02435	90.3
138.02751	5.1
143.03506	2.1
145.02939	9.0
146.03250	4.0
147.03337	1.5
149.02383	3.7
149.04549	1.7
149.05898	1.2
151.03969	10.0
152.01135	20.5
153.01923	10.6
161.04521	4.3
165.03763	18.6
166.04034	1.5
167.03496	10.5
179.03482	72.8
179.05460	4.8
180.03786	3.7
191.03465	1.0
191.05550	1.4
197.84837	1.1
209.04507	13.0
210.04790	1.4
223.91029	0.9
239.05576	45.2
240.05963	2.6
267.50061	1.0
288.00552	1.0
295.07513	8.4
295.10464	5.4
299.07645	3.9
300.02490	1.6
325.09311	2.8
327.09052	1.3
335.04099	0.9
350.54074	1.0
371.09793	1.4
415.12247	100.0
415.23450	4.3
416.12723	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	413.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.98827	42.6
65.49163	9.5
71.01364	9.6
98.20626	24.3
112.75855	9.4
127.00362	10.0
132.10634	9.9
141.06709	67.5
214.07515	16.4
215.08292	15.1
229.10631	12.2
271.14523	17.9
315.08798	12.5
335.02457	10.2
377.06854	14.9
413.21619	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19223	9.8
54.27626	11.0
59.01370	74.7
60.63573	11.1
61.98818	46.2
69.25575	100.0
69.25986	26.0
69.42671	11.2
76.59820	10.0
96.62455	11.0
101.06053	13.4
131.04837	11.0
185.31381	10.5
199.98003	11.8
315.08716	18.0
339.01990	10.4
413.19724	16.4
425.48117	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	413.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11541	0.2
56.70264	0.2
59.01374	100.0
60.01709	1.1
61.98837	0.4
69.70535	0.4
69.70937	1.0
98.20704	0.3
111.19633	0.2
111.48273	0.2
113.68222	0.2
140.04280	0.2
143.10777	0.8
144.79985	0.2
145.08734	0.3
287.22360	0.3
288.98489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
59.95328	0.4
60.01730	1.1
61.98838	0.9
71.61790	0.5
98.27724	0.5
138.05260	0.5
224.24782	0.4
277.21710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67414	0.5
53.95281	0.5
54.55271	0.5
57.03432	1.2
59.01374	7.8
69.03452	1.2
71.01373	7.3
72.99295	3.3
73.02938	1.8
75.00874	0.9
76.84878	0.5
81.03453	2.0
83.01382	0.9
85.02939	6.6
87.00888	0.9
88.98788	0.5
89.02438	1.9
93.03454	2.8
95.01367	3.4
96.96008	0.9
98.20650	1.2
99.00882	0.6
101.02422	2.6
107.05030	1.8
108.02166	75.0
109.02950	56.2
109.04021	0.8
110.03274	2.2
111.04475	0.7
113.02399	2.9
117.05593	1.1
119.03518	0.7
120.99656	0.9
121.02943	2.0
123.00867	2.7
123.04490	1.1
125.02428	3.7
125.06050	0.9
129.01924	1.4
133.02893	0.6
135.02997	0.6
135.04462	0.6
137.02432	2.2
147.02924	1.2
151.03992	2.1
152.01132	77.4
153.01927	28.3
154.02170	1.2
159.02979	0.9
161.04497	0.9
163.03996	1.6
165.01875	2.3
167.00203	0.5
167.03494	2.2
176.01176	0.7
191.03532	0.9
191.05602	0.6
209.04445	0.7
226.52829	0.6
253.07101	1.2
297.06027	0.7
315.07156	4.4
357.08240	11.8
358.08337	1.1
371.10016	0.6
371.20291	0.7
397.11307	4.4
415.12357	100.0
416.12662	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	413.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.6
60.77996	0.2
61.98815	0.6
63.35121	0.2
64.19434	0.2
69.83126	1.2
78.95897	0.8
79.95729	1.8
96.95998	100.0
97.95905	0.3
99.92570	0.5
103.61115	0.2
115.92123	0.3
116.92908	0.2
117.01063	0.2
118.89947	0.5
118.95841	0.2
119.89966	0.4
120.89658	0.5
134.73409	0.2
135.69269	0.2
183.33000	0.2
203.84326	0.2
291.00519	0.2
345.81573	0.2
353.15787	0.2
377.13177	0.3
413.15945	1.8
413.28745	0.3
414.16113	0.3
425.51044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
59.01376	6.2
61.98815	1.7
69.70560	1.9
71.01381	3.5
72.99300	0.4
73.02943	1.1
83.01380	0.4
85.02932	2.2
87.00876	0.4
89.02441	1.9
95.01372	0.4
96.86996	0.3
96.96008	1.1
98.95614	0.4
99.00883	0.5
101.02449	3.2
105.05549	0.6
109.02955	0.6
113.02467	1.7
117.03455	25.5
118.03770	1.3
119.05013	9.2
120.05322	0.3
125.02412	0.3
133.02928	0.4
135.04494	1.0
137.02420	0.9
145.02939	100.0
146.03291	4.0
161.02444	1.6
163.03993	13.8
164.04303	0.7
179.03578	0.5
191.03470	4.1
317.00446	0.4
328.70007	0.3
353.08621	0.3
413.14508	48.4
414.14783	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	413.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03444	31.4
57.10814	1.2
59.01375	38.3
59.70065	1.2
61.98816	2.6
69.45472	3.8
69.45908	4.9
71.01376	16.4
72.99295	1.4
73.02942	5.2
74.64986	1.2
83.01370	3.5
85.02956	8.1
89.02442	3.3
92.37658	1.0
93.03451	3.5
94.37969	1.4
95.01398	1.9
96.95990	8.1
98.95583	8.6
98.96450	1.6
99.00897	3.4
99.04508	25.5
101.02439	16.8
108.02143	1.2
113.02448	6.1
116.69051	1.2
117.03421	1.5
119.05038	1.1
121.02942	2.3
121.62383	1.1
123.04493	1.1
124.07668	2.8
125.02435	11.1
126.02726	1.1
132.02167	16.8
133.02968	11.8
134.03740	12.0
134.06093	1.3
135.04503	3.4
137.02438	6.7
139.04060	1.1
143.03488	1.4
148.04048	1.4
149.06088	3.6
151.03996	3.4
152.99590	1.7
160.01642	78.0
161.02437	34.0
161.04443	6.0
165.05518	1.2
174.01927	4.2
175.03984	98.8
176.04305	5.2
177.04439	1.2
178.02553	1.2
179.03510	2.6
191.05638	1.3
193.05026	16.2
194.05406	1.4
206.04549	3.1
269.10425	6.1
323.60495	4.0
324.10876	1.3
332.61072	11.9
333.11377	2.2
398.12518	2.0
409.12820	1.2
413.14453	100.0
413.20703	6.8
414.14551	9.2
416.46915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90075	0.4
58.23036	0.5
59.01373	100.0
60.01714	1.1
61.98817	0.6
69.81474	2.6
71.01389	2.4
73.02952	0.5
80.80224	0.5
85.02951	1.0
87.00877	0.7
89.02457	2.6
99.07729	0.4
101.02453	1.5
103.05499	0.6
109.02954	1.8
113.02441	0.6
119.03507	0.9
120.99645	0.9
121.02949	1.0
125.02475	0.6
127.63478	0.4
137.02470	2.1
145.02974	1.1
147.04504	44.1
148.04892	2.1
159.06654	0.6
181.04980	1.1
215.39862	0.5
267.12241	0.6
322.96176	0.4
377.74329	0.5
413.08560	0.5
413.13538	0.6
413.17764	0.7
413.21957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
59.01373	4.9
61.98826	1.8
69.31355	0.6
69.31747	2.3
71.01379	3.7
73.02940	1.1
76.54534	0.3
82.95407	3.8
83.01381	0.8
85.02937	1.8
89.02443	1.8
96.14615	0.3
96.95993	2.9
97.02932	0.4
98.19888	0.5
99.00864	0.4
101.02446	2.5
101.06074	0.4
101.70457	0.3
105.05576	0.6
108.02160	0.6
109.02959	0.5
113.02471	1.8
117.03455	23.4
118.03798	0.8
119.03552	0.5
119.04218	0.6
119.05009	8.5
120.05341	0.6
121.02925	0.8
125.02404	0.6
133.02957	0.6
135.04543	0.4
137.02518	0.3
145.02937	100.0
146.03264	4.6
152.01178	0.6
153.01865	0.4
161.02431	1.9
161.04552	0.4
163.03996	12.1
163.05374	0.6
164.04340	0.8
165.05440	0.3
191.03604	0.4
196.95950	0.3
205.04802	0.3
235.06299	0.3
251.09183	1.2
315.07129	0.6
413.14514	51.3
414.14877	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	413.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03425	0.6
59.01373	18.9
61.45089	0.6
61.98824	3.0
64.94930	0.6
69.44259	0.6
71.01053	0.6
71.01376	8.0
71.63302	1.0
73.02917	1.4
74.99072	0.8
79.29493	0.6
79.95724	6.0
83.01337	1.4
85.02935	3.0
89.02431	4.7
93.03468	1.1
95.01365	1.0
95.95219	4.0
96.96000	57.7
98.95574	0.9
99.00827	0.9
101.02435	5.9
113.02409	2.4
117.03455	16.0
118.03758	1.3
119.03456	2.0
119.05010	5.5
121.02961	0.8
122.49513	0.7
125.02404	1.2
132.02087	0.7
133.02930	5.9
135.04449	2.1
137.02325	1.2
145.02933	63.2
146.03268	3.6
161.01096	1.3
161.02425	22.1
161.04486	1.5
162.02681	1.4
163.03993	9.5
179.03456	0.8
189.12721	1.6
195.06602	0.9
218.64299	0.6
233.08473	11.8
234.08826	0.6
235.10051	54.0
236.10471	2.9
251.05400	0.7
251.09441	0.9
332.60876	0.8
387.26303	0.6
413.14398	100.0
414.14722	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	411.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01717	1.1
69.95856	1.5
69.96252	2.1
92.68884	0.9
124.19859	1.0
265.25284	1.0
357.63681	0.9
404.75995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51030	0.6
56.18748	0.7
59.01374	100.0
60.01691	0.6
98.20583	2.3
103.89095	0.9
107.08127	0.7
114.07584	0.8
229.13283	0.8
235.97739	0.8
252.12979	0.8
295.69791	0.7
344.02661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
61.23257	0.3
61.98814	1.6
68.20932	0.4
70.67888	1.2
71.01367	1.3
73.02957	0.7
79.95726	2.0
85.02940	0.4
86.43293	0.4
89.02423	0.7
96.96004	100.0
98.95602	1.4
101.02440	0.6
108.02166	5.8
109.02931	1.6
152.01120	4.9
153.01933	2.5
169.01498	0.4
182.99855	0.5
196.97731	0.5
208.97621	1.9
234.99255	0.7
243.21046	0.4
249.97833	0.6
250.98715	2.3
265.00461	0.4
295.21539	0.4
295.63953	0.4
315.07205	10.3
316.07361	0.9
353.01877	4.9
354.02066	0.6
413.03528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44712	1.0
59.01370	16.2
61.98825	8.0
70.01672	2.9
70.02063	1.8
71.01376	4.2
72.99310	5.0
75.00865	61.2
83.05043	1.1
89.02446	7.3
98.20570	1.0
99.00903	1.2
103.05843	1.2
116.92882	1.2
117.01933	2.8
120.67058	1.2
121.10233	20.8
125.09644	2.1
135.02986	67.1
141.12737	1.1
148.05560	1.2
171.10252	49.3
185.11746	3.6
231.21164	4.8
275.20105	87.9
276.20532	8.4
293.21191	100.0
294.21564	8.5
375.02478	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	411.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03436	0.5
59.01382	3.7
61.98822	0.7
66.57682	0.3
68.66475	0.3
71.01367	3.0
72.42120	0.3
73.02934	1.0
81.03460	0.5
83.01390	1.0
83.05022	0.4
85.02928	2.1
85.06575	0.4
89.02434	0.9
93.03473	0.8
96.95988	0.7
97.02945	0.4
99.00851	0.6
101.02419	2.4
105.03418	0.7
113.02450	1.0
117.03470	1.1
121.02945	0.4
123.04504	0.4
125.02410	1.3
128.75595	0.3
131.03647	0.3
132.02164	3.4
133.02940	34.8
134.03802	2.6
135.04509	11.8
137.02425	2.0
139.04030	0.5
144.14760	0.3
145.02890	0.5
147.04565	0.5
151.04013	1.6
153.73816	0.4
160.01645	10.2
161.02420	100.0
162.02745	4.2
163.04002	0.4
165.05524	1.4
167.03441	0.5
175.03969	11.7
175.08766	0.6
176.04337	0.9
179.03461	6.9
193.05029	1.4
213.14827	0.7
216.19067	0.4
249.14998	0.6
261.08768	1.3
268.03662	3.2
269.04453	0.7
311.05615	3.5
314.82132	0.4
326.40170	0.3
367.12912	0.5
396.14313	0.5
411.07190	4.4
411.16501	74.2
411.23480	3.4
412.07947	0.4
412.16821	7.8
412.24405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.6
58.00564	1.2
59.01371	23.5
61.98791	4.6
71.01377	12.5
72.99242	1.3
73.02911	2.0
73.31844	0.9
75.00846	1.1
78.91852	4.5
83.01331	1.9
85.02939	15.6
87.00819	1.9
89.02438	15.1
93.03402	3.6
95.01311	1.2
96.79239	1.4
96.95996	25.1
98.95534	4.3
99.00862	1.1
99.66019	0.9
101.02428	11.2
103.04002	27.0
107.04998	1.1
109.02877	1.1
109.88675	1.1
113.02422	7.2
117.03450	20.1
118.03723	1.0
119.03551	5.2
119.05002	30.5
121.02917	6.8
125.02348	3.6
132.05678	1.6
133.06593	6.9
135.04521	9.0
137.02431	4.7
145.02933	100.0
145.04655	2.6
146.03291	4.9
149.02342	2.9
150.03120	2.8
161.04787	1.4
161.06053	16.4
163.03987	37.1
164.04295	1.9
165.05478	3.9
177.05553	6.4
179.03481	10.7
205.05037	15.7
229.08931	1.0
231.06335	1.2
235.06113	6.0
265.09311	79.9
266.09677	5.0
282.49210	1.0
307.08032	2.1
325.09106	2.9
411.12466	60.0
411.20538	6.5
412.12708	7.5
412.17303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03452	0.9
59.01382	7.0
61.07753	0.5
68.99802	0.9
71.01374	19.7
71.05017	1.9
71.63073	1.0
73.02943	5.9
77.20560	0.6
79.95740	1.6
83.01383	4.0
85.02938	10.7
87.00878	0.8
89.02461	1.7
93.03448	29.2
93.78915	0.6
94.03808	1.1
95.01373	2.4
96.96001	44.6
96.99288	1.3
97.02916	0.8
97.08006	0.5
98.95598	3.5
98.96461	0.5
99.00881	2.2
101.02437	10.5
102.02840	0.5
104.58807	0.6
108.02102	0.7
111.79805	0.5
113.02438	6.8
117.03440	3.9
119.05023	2.3
121.02938	1.7
125.02428	0.6
136.01637	2.7
137.02428	76.9
138.02802	3.4
145.02940	20.6
146.03265	1.0
147.04497	0.8
147.06613	1.9
153.09232	0.6
159.02956	1.2
160.01628	1.2
161.04605	2.8
161.05830	0.7
163.04025	2.9
175.03966	1.3
177.05542	0.5
179.03400	1.0
180.71478	0.6
191.03436	1.1
193.05092	0.7
221.04541	2.7
224.39706	0.6
224.88652	0.5
234.35265	0.6
281.06631	9.4
282.06793	0.7
334.79160	0.5
411.12781	100.0
411.21017	10.4
412.13089	11.4
412.21057	1.1
427.10889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	62.7
61.98841	17.1
63.63953	10.8
68.21088	11.0
69.65481	84.8
69.96976	11.2
71.01385	87.6
77.17465	13.5
77.49960	13.9
78.89340	13.0
82.65916	12.7
87.00856	22.8
88.08323	12.4
89.02451	82.5
96.96017	100.0
97.15298	12.2
98.41050	15.5
101.02444	37.0
113.02440	20.4
119.03480	55.3
125.02460	17.4
143.03511	21.8
145.02939	23.0
146.03728	14.0
151.31564	12.8
154.91347	14.6
161.02550	21.8
161.04544	29.3
162.03235	38.0
163.03996	21.2
168.00612	30.7
177.05602	32.8
179.05576	93.0
241.00243	36.0
261.20123	14.2
331.06705	74.1
357.11920	69.7
375.12701	15.8
411.02121	18.3
411.10623	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55249	0.6
53.52283	0.6
59.01375	7.7
61.98835	1.1
63.50007	0.6
65.54630	0.7
71.01360	1.7
71.08842	1.3
71.68723	0.6
73.02950	1.0
76.75539	0.6
78.82358	0.7
83.06040	0.6
85.89853	0.7
93.03448	2.0
96.95997	3.1
101.02428	1.4
108.02151	5.0
109.02927	0.7
113.02509	0.7
117.03467	2.3
119.05014	1.0
121.02914	1.4
123.04470	0.6
125.02435	2.2
133.02937	3.0
135.04544	1.1
145.02930	7.6
147.04543	3.7
148.05292	100.0
149.04570	0.8
149.05600	5.0
151.04051	0.7
153.05576	1.3
155.00397	0.7
161.02455	5.9
163.07635	82.4
164.07970	4.9
164.27808	0.8
219.20906	0.8
222.09256	2.0
237.80739	0.7
243.96527	0.8
249.11159	0.8
250.08665	3.8
411.07190	1.2
411.16251	6.2
411.23929	2.6
438.50549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01086	1.1
59.01374	16.6
61.98818	4.3
68.78436	0.6
69.46282	4.3
71.01378	6.7
73.02934	3.4
73.40176	0.5
74.99076	0.5
77.00647	0.6
79.95733	0.8
83.01388	1.4
85.02947	2.2
87.00875	1.5
87.04507	1.2
89.02439	5.2
93.03438	1.2
95.95197	1.1
96.96004	14.5
99.00867	0.6
101.02435	4.6
101.06071	40.0
102.06422	0.6
102.98745	0.5
104.54264	0.6
109.02927	0.7
111.00864	0.7
113.02438	2.5
115.07598	1.0
117.03458	19.4
117.05573	1.7
119.03534	1.0
119.05015	6.4
120.99635	1.5
125.02414	1.5
131.07140	3.7
132.02155	1.0
133.02991	0.6
133.06589	1.0
134.03687	0.6
135.04539	0.6
136.07545	0.5
137.02414	1.4
137.05693	0.5
139.04013	0.7
145.02940	100.0
146.03278	5.8
151.04100	0.6
153.01935	0.7
160.01611	3.1
161.02380	1.2
161.04546	2.0
161.06047	1.5
163.03998	10.9
175.03961	4.5
177.01991	0.6
187.04021	4.4
187.09776	0.6
191.05536	0.9
193.05115	0.9
194.92329	0.6
203.03487	0.9
205.05058	2.1
216.11598	0.6
231.06567	0.6
231.13768	1.4
233.08505	0.7
235.11798	1.2
249.03957	1.0
249.09933	1.3
291.05093	1.6
307.08243	0.8
351.16071	2.5
360.56033	0.7
367.10306	7.4
368.10526	0.9
410.28220	1.2
411.07816	1.0
411.12958	13.9
411.28790	0.6
412.13596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14576	0.3
57.03431	0.6
59.01370	3.1
60.94099	0.4
61.98824	3.5
65.00317	0.7
67.01895	0.7
69.54070	2.1
69.54485	0.6
71.01389	0.7
73.02952	1.1
76.55762	0.3
81.03435	0.4
83.01390	1.5
85.06596	1.1
89.02434	0.3
91.01917	0.4
91.05520	1.1
93.03458	0.8
95.05012	3.5
96.96012	1.6
101.02442	0.6
101.06086	0.3
103.86150	0.3
105.07143	0.3
107.01371	0.8
109.02934	1.7
111.57205	0.3
115.84660	0.4
117.07092	0.8
119.05013	8.5
121.02930	1.3
123.04578	0.4
125.02434	3.6
131.05051	0.4
131.07120	6.1
133.02942	1.2
133.06578	2.3
134.26341	0.4
135.00890	1.2
135.04495	2.0
135.96922	0.3
137.02412	0.8
137.06085	4.5
143.05045	0.7
145.02824	0.3
146.03706	0.9
151.00314	1.9
159.04478	1.1
161.02441	1.5
161.04674	0.6
161.06070	5.3
163.04002	6.9
175.04015	1.2
177.01917	19.6
177.05507	5.7
178.02254	0.9
187.03996	6.1
188.04424	0.4
189.01886	0.4
190.02676	3.3
195.41620	0.4
203.03537	0.6
205.05028	61.8
206.05385	4.0
219.02946	0.7
219.06378	0.4
221.00848	0.6
239.31537	0.4
247.06096	0.6
249.04002	100.0
250.04314	7.2
291.05151	0.8
344.53076	0.4
351.20267	0.5
411.08951	3.0
411.13892	0.5
411.18588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.1
60.01714	0.5
60.99300	0.6
61.98824	100.0
70.52000	0.3
71.01378	2.4
71.62646	0.6
71.63044	0.3
72.01724	0.3
73.02938	1.0
85.02945	0.8
88.98795	3.0
89.02427	1.4
89.99147	0.4
93.03467	0.4
94.62524	0.3
96.96009	2.9
99.00885	0.3
101.02484	1.3
101.06062	0.3
102.02774	0.4
109.02958	0.4
109.94520	0.3
113.02463	0.4
119.03525	0.4
119.58057	0.3
125.02467	0.5
128.07617	0.3
131.07181	0.4
143.60899	0.3
145.02972	0.7
161.04538	0.6
172.54654	0.3
190.47865	0.3
191.05658	0.9
214.49068	0.3
223.14287	0.3
229.16084	0.3
350.18933	1.2
351.20200	0.5
375.16403	1.5
410.12219	0.4
410.17142	0.6
411.08688	0.4
411.13269	1.4
428.53574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0232
Annotation	Turgorin
Peak:m/z	Relative Intensity
52.45476	0.5
55.01858	0.6
56.20155	0.5
59.01375	3.1
61.01001	1.0
63.37007	0.6
63.49773	0.5
63.66272	0.6
68.99817	0.8
69.97469	2.7
71.01377	5.9
72.99294	1.5
73.02936	3.6
75.00878	0.9
75.02603	0.8
75.76971	0.5
79.95715	3.8
80.96515	2.9
83.01361	1.2
85.01003	1.6
85.02950	2.4
87.00855	3.1
89.02431	2.0
95.95178	0.6
96.96001	100.0
97.03005	0.6
98.95600	0.9
99.00860	3.7
99.02574	1.1
101.02430	2.1
102.34969	0.6
104.30861	0.5
111.00880	1.3
112.98801	2.7
113.02438	1.6
114.98443	0.8
115.00340	0.9
124.98796	0.7
125.02427	14.6
130.55367	0.6
133.05078	0.9
135.90709	0.6
138.97054	9.6
142.99866	1.6
143.01486	0.8
143.03476	0.9
145.01402	2.0
157.01366	1.2
164.98589	1.0
168.00638	1.6
168.98152	0.8
169.01407	21.3
170.01756	0.9
171.01028	1.9
173.00957	1.2
173.02611	1.7
180.98116	1.3
191.03648	1.9
205.05272	1.1
222.08601	0.5
222.99146	1.6
233.04727	2.0
241.00204	59.9
242.00533	2.6
263.02359	0.8
263.02963	0.9
263.05783	7.3
331.06592	4.7
379.06747	1.9
411.02390	50.4
411.09485	36.7
411.14935	1.4
412.02698	4.4
412.09512	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	411.0233
Annotation	Turgorin
Peak:m/z	Relative Intensity
57.34587	0.5
58.55220	0.4
58.85130	0.5
59.01365	1.0
59.54063	0.4
64.15507	0.4
69.03431	0.6
69.09354	0.5
70.95991	1.1
71.01367	2.5
73.02918	0.5
79.95717	3.9
80.96507	3.0
85.02941	1.0
87.00854	0.8
89.02435	0.6
95.95216	0.7
96.96000	100.0
99.00844	0.7
99.56547	0.5
101.02435	1.2
113.02402	1.2
122.43233	0.4
122.97544	0.6
124.20472	0.4
125.02433	15.2
138.97063	11.4
143.03442	0.6
150.97043	1.2
155.76062	0.5
164.98621	1.0
165.05600	0.8
168.98140	0.9
169.01413	24.9
170.01736	1.2
180.98022	0.6
197.39514	0.4
215.41891	0.4
222.99167	2.0
241.00201	70.4
242.00459	1.9
331.06815	3.0
355.79614	0.5
411.02328	57.1
412.02652	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	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03429	0.9
59.01376	100.0
60.01717	1.0
61.98830	5.2
70.08150	1.6
70.08556	2.6
71.01381	25.0
72.26546	0.8
73.02946	6.5
76.70065	0.9
83.01363	2.3
85.02950	8.7
87.00877	1.6
89.02436	15.3
95.01388	1.7
96.95978	1.3
98.19990	0.9
99.00868	2.0
101.02437	19.1
113.02438	12.4
118.02772	0.7
119.03487	5.7
122.03735	4.2
125.02397	1.8
131.03441	1.6
143.03474	2.4
149.02417	4.6
149.04407	1.1
150.03221	25.3
159.02933	2.1
161.04543	24.3
164.04741	1.5
165.05550	40.8
166.05904	1.5
179.05615	5.3
180.04211	1.3
184.56253	0.8
187.13367	3.0
195.06610	16.3
213.07568	0.8
277.12778	1.2
295.39893	0.8
295.76096	0.8
349.18631	45.8
350.18997	3.6
361.12845	2.2
409.16690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38632	1.2
55.01865	6.9
57.03440	6.4
58.00589	2.3
59.01374	96.0
61.98820	5.6
63.90103	1.4
64.35269	1.1
69.58365	6.9
71.01376	73.0
72.01704	2.1
72.99304	4.3
73.02940	27.5
83.01375	21.0
85.02946	34.4
87.00867	5.4
89.02436	30.4
95.01379	5.6
96.96002	45.1
97.02937	2.8
99.00874	12.8
100.66393	1.4
101.02436	81.6
101.06073	2.5
101.09718	1.6
103.04025	1.8
104.56980	1.5
109.02934	3.3
111.00922	1.5
112.59941	1.7
113.02440	31.1
117.03465	13.5
119.03487	14.8
119.05026	2.3
123.04502	2.1
125.02438	3.8
129.02034	1.4
131.03448	2.2
139.63374	1.3
143.03479	5.6
145.02945	49.1
146.03239	2.3
149.04578	1.9
151.04045	1.8
159.02983	5.0
161.04544	40.9
163.04065	2.7
179.05577	9.2
187.13356	5.2
191.05562	1.9
203.10994	2.3
263.14960	100.0
264.15338	5.7
273.99872	1.4
349.18604	48.2
349.22916	2.6
350.18835	3.4
391.08228	3.5
409.14865	22.1
409.20251	37.6
410.15265	3.1
410.20840	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	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17384	0.6
59.01374	100.0
60.01720	0.9
61.98830	4.7
70.16051	1.8
71.01377	11.5
71.01755	0.7
72.99289	0.7
73.02943	1.0
83.01360	0.7
83.46609	0.5
85.02947	3.1
87.00887	0.6
89.02439	16.6
95.01385	1.3
96.96017	0.9
98.19963	0.8
101.02438	7.5
113.02430	6.0
119.03482	5.4
121.02950	0.6
131.03523	1.0
143.03525	1.9
149.02475	2.2
149.04515	0.8
150.03256	4.5
161.04565	5.0
164.04774	0.7
164.33707	0.5
165.05568	7.3
179.05614	10.0
192.84944	0.5
193.05135	1.5
195.06693	1.8
217.28001	0.6
222.04729	0.5
301.10663	1.4
349.18594	15.2
350.19153	1.5
361.13104	2.1
393.18088	0.6
409.20874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25669	0.8
51.01107	0.8
55.01873	1.4
57.03426	1.3
58.00584	0.9
59.01375	100.0
60.01714	1.0
61.98822	12.7
71.00983	1.9
71.01376	29.9
71.41996	1.5
72.99287	1.0
73.02940	7.0
83.01379	4.2
85.02945	10.4
87.00852	1.2
89.02441	14.9
95.01392	1.5
96.96001	3.2
97.02966	1.2
98.95586	3.0
99.00867	2.9
101.02440	23.1
113.02431	11.4
117.05534	1.3
119.03515	6.9
125.02451	1.9
135.04491	2.5
136.99091	0.9
139.61476	0.8
143.03474	2.2
159.02972	3.7
161.03210	1.6
161.04536	29.3
162.04825	1.1
165.05553	1.4
178.73128	0.8
179.05627	6.1
187.13353	2.7
190.02780	1.0
195.06537	1.8
203.03526	1.0
204.32330	0.9
247.04700	0.9
262.89795	0.8
277.12860	4.8
343.14688	1.0
349.15067	2.1
349.18604	42.7
350.19012	2.4
388.74506	1.1
409.09933	3.7
409.16870	2.6
424.44046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.5
59.01374	100.0
60.01717	1.3
61.98834	2.7
69.69942	3.6
71.01375	21.2
72.99315	1.3
73.02946	0.9
73.29739	0.7
80.51387	0.6
83.01376	0.9
85.02943	4.6
87.00877	1.2
89.02435	35.7
89.74072	0.6
95.01382	1.3
101.02433	14.4
113.02433	11.0
119.03492	14.1
127.21150	0.6
131.03531	1.3
143.03502	3.5
147.60277	0.6
149.04579	1.7
161.04562	6.2
161.05780	0.9
179.05600	18.1
191.05562	5.1
210.84012	0.6
227.07190	1.9
234.37410	0.9
236.58290	0.8
349.18619	43.9
350.18851	4.7
357.79572	0.6
409.11523	2.4
409.20566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29787	0.4
55.01867	0.4
59.01085	0.7
59.01373	10.1
61.98833	0.5
68.86802	0.3
69.83149	0.8
69.83560	1.4
71.01373	6.9
71.05013	0.6
73.02950	1.7
75.00876	1.2
79.95724	0.6
83.01389	1.0
83.05019	0.5
85.02940	3.1
89.02441	4.6
95.01382	0.7
96.95998	11.0
98.19942	0.5
99.00886	0.7
101.02436	4.5
101.06083	1.2
113.02445	3.3
117.03455	24.8
118.03779	0.9
119.03488	1.8
119.05010	5.2
123.04467	0.3
125.02424	0.4
143.03462	0.5
145.02934	100.0
146.03262	4.2
161.04521	2.3
163.03983	6.6
179.05576	1.1
187.13396	0.9
191.05511	0.6
277.24384	0.4
321.43634	0.3
349.14468	0.7
349.18607	9.7
350.18991	1.3
358.87149	0.4
409.14874	45.0
409.18750	2.6
410.15216	4.9
410.20145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1762
Annotation	Isobrucine N-oxide
Peak:m/z	Relative Intensity
57.44389	0.8
59.01374	5.6
59.16933	0.8
61.98829	6.3
69.39481	8.1
70.76064	0.8
71.01372	1.9
80.05062	1.5
83.01402	1.5
83.96629	0.9
85.02958	1.1
85.41288	0.8
93.03451	47.2
94.03784	2.1
94.06615	3.9
95.05009	1.5
96.95998	2.4
98.20592	1.6
101.02413	1.2
107.03796	2.2
108.04543	19.2
108.08183	24.5
109.08502	1.2
113.02444	1.1
117.03460	10.6
119.05003	3.1
120.04521	3.5
121.05315	1.3
122.06106	21.3
123.06431	0.9
136.04062	1.3
145.02937	31.6
146.03314	1.6
148.03975	1.4
150.05591	85.9
151.05934	3.0
163.03981	2.7
168.06563	4.5
171.10306	1.2
176.03482	10.0
181.30745	1.1
194.04530	1.8
201.06729	0.9
201.92543	1.0
214.12321	15.7
215.12579	1.3
227.11800	1.4
239.08253	1.3
240.09047	9.7
243.11337	9.5
253.09814	2.5
254.10513	6.9
255.11328	25.2
256.11661	1.8
257.12930	1.2
267.11310	2.5
269.12759	2.6
285.12415	19.8
286.12457	1.4
289.10782	2.1
297.12363	7.1
303.13498	3.7
315.13431	2.9
349.15491	16.6
350.15714	1.4
360.04840	0.9
361.15402	1.2
391.16583	33.5
391.21658	1.7
392.16760	4.6
409.17715	100.0
410.18015	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	409.044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30151	0.3
59.01368	3.6
61.98828	2.4
70.93253	0.7
71.01369	2.7
72.99310	0.4
73.02931	0.9
74.38415	0.3
75.00876	1.6
79.95731	3.4
80.96513	2.9
83.01365	0.4
85.02943	1.0
87.00861	1.2
89.02426	0.6
95.77792	0.3
95.95201	0.4
96.96000	100.0
97.95937	0.4
99.00850	0.4
101.02438	1.2
106.95819	0.3
108.02175	1.1
113.02449	0.7
122.03683	0.4
122.97479	0.4
123.04538	0.8
126.88837	0.3
138.96007	0.6
138.97057	8.8
143.03516	0.4
149.02373	0.8
150.03195	2.6
150.97046	1.3
152.01154	2.1
164.98560	1.0
165.05536	4.1
167.03462	2.3
168.98128	0.7
180.98105	0.9
195.06552	1.4
209.04475	0.4
222.99026	1.6
241.00200	46.1
242.00395	0.9
309.60330	0.3
361.12888	0.6
368.13803	0.4
409.04388	32.4
409.16675	1.3
410.04727	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	409.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54457	0.5
59.01377	5.5
61.27887	0.5
61.98820	1.3
71.01386	1.0
71.38147	1.3
73.02939	0.6
85.02938	0.5
86.27201	0.5
89.02436	1.5
92.95427	0.5
93.03447	2.2
99.11607	0.6
101.02427	0.6
105.03457	0.6
121.02946	5.2
122.03745	7.2
123.04500	0.7
133.02972	0.8
136.01665	2.3
139.03987	1.2
149.02428	39.4
150.03212	63.3
151.03725	3.3
164.04781	10.2
165.05548	100.0
166.05898	4.8
180.04254	2.5
186.95142	0.6
195.06606	21.5
196.06996	1.1
213.07625	2.1
220.69928	0.6
236.77769	0.6
254.06023	0.7
271.09650	0.6
285.07635	4.7
286.08392	7.0
287.08923	0.8
301.10760	12.3
302.11270	0.9
361.12875	44.8
362.13113	4.8
409.14948	4.5
410.15628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45939	0.4
57.03454	0.6
59.01375	43.0
59.49059	0.4
60.01716	0.8
61.98821	4.8
70.03969	2.0
71.01376	10.3
72.99296	0.7
73.02938	2.2
74.99096	0.6
75.00878	0.5
83.01364	0.9
85.02948	3.3
87.00879	0.7
89.02424	7.0
93.03464	1.9
95.01357	0.6
96.95985	1.0
97.02966	0.6
99.00907	0.7
101.02431	8.3
104.68119	0.4
109.02914	0.4
113.02440	4.6
119.03522	2.5
121.02969	3.0
122.03722	8.5
123.04520	0.6
124.01616	0.4
125.02428	1.3
130.07857	0.4
131.03499	0.7
133.02957	0.9
134.03790	0.4
135.04517	0.6
136.01659	1.0
136.39406	0.4
143.03474	1.2
149.02428	12.9
149.04359	0.6
150.03212	63.9
151.03551	3.1
155.50591	0.4
159.02974	1.3
159.08162	0.5
161.04539	9.1
162.04897	0.7
164.04750	2.8
165.05550	100.0
166.05870	4.2
179.05585	2.4
180.04250	3.2
187.13399	1.2
191.05585	0.6
194.78992	0.5
195.06601	34.7
196.06924	2.3
202.74390	0.4
203.07031	0.6
213.07668	1.1
277.12888	1.1
286.08453	1.2
301.10757	2.5
345.20013	0.4
349.18637	16.6
350.18988	1.1
361.12872	5.2
362.13251	0.5
384.86432	0.5
409.15689	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	408.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	5.3
60.48334	1.7
61.98825	100.0
68.99548	3.1
71.62329	1.5
71.62753	1.8
73.34663	1.3
75.47519	1.4
92.92765	1.6
96.96004	2.9
112.98578	2.0
171.10071	1.7
202.65672	1.8
271.15280	1.6
278.48734	1.3
310.71204	1.4
357.10712	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01375	78.0
60.01710	9.5
60.82755	0.5
61.01792	1.3
61.98826	100.0
63.36588	0.5
69.95634	2.4
71.01376	11.8
72.01714	1.9
72.99316	1.0
73.02946	4.8
74.99088	0.5
76.97594	0.4
83.01390	1.0
85.02949	4.3
86.03276	0.8
87.00875	2.0
89.02437	5.9
90.02756	0.7
93.03473	0.6
95.01416	0.7
96.96009	6.0
98.95576	0.7
99.00864	0.9
99.04500	0.8
101.02435	7.0
102.02781	1.7
102.23500	0.5
113.02437	4.0
114.02778	1.2
115.00346	2.8
115.07608	2.9
116.00702	1.3
116.05044	0.6
116.07995	1.0
119.03477	2.7
120.03828	0.6
121.15454	0.6
125.02440	2.5
131.03600	0.5
136.99069	0.7
137.02460	0.5
143.03496	1.0
146.97189	0.5
150.03175	1.0
158.05998	0.5
159.02934	0.8
161.02357	0.6
161.04532	6.6
162.04900	3.1
165.01819	0.6
165.05563	1.0
175.02451	6.7
176.02812	3.9
179.05568	1.8
185.11792	1.4
186.12152	1.0
191.05560	1.6
202.93454	0.7
203.03481	2.5
247.02304	0.9
295.10190	1.2
305.60507	0.6
321.04263	1.7
330.60626	0.5
347.16867	1.2
348.17410	9.5
349.18637	3.2
408.10419	2.7
408.19260	2.3
409.10580	0.9
409.16553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2797
Annotation	3alpha,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid
Peak:m/z	Relative Intensity
57.03441	2.0
59.01375	0.8
63.02388	0.3
64.81569	0.2
65.00312	1.8
69.48864	1.1
75.78776	0.2
80.02667	0.2
81.03449	10.8
83.01373	1.9
83.05010	0.5
93.03441	0.3
95.01392	0.2
95.05014	0.3
106.04279	0.2
107.01384	1.2
108.02142	0.3
109.02924	0.2
121.02936	0.5
122.03724	3.9
123.04517	0.3
125.02428	8.5
125.97606	0.2
126.02750	0.2
126.72861	0.1
135.04491	0.4
136.05301	0.3
139.06073	0.2
150.97536	0.2
151.00342	1.5
162.03209	0.5
223.20602	0.2
251.23810	0.3
253.25441	0.2
266.07043	0.2
279.23404	0.2
281.24869	0.5
291.26965	0.3
295.26300	0.4
296.36310	0.2
297.27887	0.4
299.25955	0.2
306.35791	0.2
317.28363	0.2
319.26389	1.2
321.27972	2.8
322.28217	0.3
323.25815	1.3
325.18286	0.2
333.27899	0.2
335.29578	0.7
345.20782	0.2
345.27936	1.7
361.27606	0.2
363.29004	12.1
364.29315	1.3
389.27005	0.6
407.27954	100.0
408.28296	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	407.2435
Annotation	Dimethamine
Peak:m/z	Relative Intensity
57.03434	0.4
59.01368	1.1
63.02385	0.3
64.88960	0.2
65.00318	3.2
67.01878	1.1
68.99816	4.2
72.09161	0.2
80.02635	0.2
81.03451	1.7
83.01378	1.4
85.02908	0.3
90.61456	0.2
92.99805	0.3
98.19830	0.5
99.54783	0.3
107.01366	0.6
109.02979	0.6
111.00866	0.7
113.02525	0.3
122.03719	1.1
124.01655	0.5
125.02439	2.0
135.00862	0.7
148.01646	0.5
151.00343	1.4
152.01117	0.5
153.01915	3.2
157.16533	0.2
161.02446	0.4
162.03206	0.4
165.01895	0.3
166.02667	0.4
168.03975	0.2
176.98232	0.5
178.99870	3.5
190.02704	1.4
192.00650	2.1
193.01291	1.0
253.21709	1.0
266.87970	0.3
267.23233	0.7
269.24786	0.6
277.21719	0.5
293.24829	0.6
295.22748	2.7
296.23093	0.3
317.24869	0.5
319.22760	0.7
325.18405	0.3
335.25845	0.8
337.23590	0.3
361.23795	2.1
363.21387	0.4
363.25363	0.7
379.24777	1.8
389.23691	1.1
405.22787	12.4
406.23264	1.3
407.24316	100.0
408.24673	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	407.2434
Annotation	Dimethamine
Peak:m/z	Relative Intensity
56.88094	0.6
57.03447	9.4
59.01370	4.5
60.12197	0.5
61.98830	0.7
71.32381	0.9
78.95886	0.7
81.03451	12.1
82.01909	0.6
83.01376	3.9
85.54564	0.6
96.96001	1.2
100.90113	0.5
125.02436	100.0
126.02761	4.1
143.93146	0.6
198.31987	0.6
216.49959	0.5
223.15715	0.8
237.22226	9.8
238.22615	1.1
239.20143	0.8
261.22321	0.7
271.23010	0.8
277.25375	1.9
279.23267	20.9
280.23502	1.5
281.21164	2.9
293.24411	0.6
297.24451	1.4
301.25351	1.7
303.23184	1.2
319.26334	1.3
321.24277	3.6
322.24252	0.8
345.24240	2.8
347.16928	1.5
348.22360	0.5
363.25327	2.9
407.24344	69.7
408.24713	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	407.2068
Annotation	Trichodermatide A
Peak:m/z	Relative Intensity
53.90094	0.7
57.03430	1.0
59.01368	5.3
61.98830	0.9
65.00308	3.3
67.01888	8.1
68.99812	11.4
69.73392	3.6
78.95902	2.8
81.03448	1.5
83.01371	6.6
85.02932	1.7
91.01834	0.7
98.20631	0.8
99.32546	0.8
109.02936	8.5
111.00886	7.3
123.70815	0.9
125.02430	7.7
151.00359	4.5
152.99498	2.1
153.01918	36.7
154.02235	0.8
171.00591	2.0
178.99855	1.4
209.19084	10.1
233.19087	1.4
250.35391	0.7
251.20132	20.8
252.20517	2.4
253.17990	2.7
269.21286	1.8
275.20248	0.8
293.21176	10.4
317.21252	1.1
325.18115	0.8
335.21976	1.1
337.20151	2.6
347.17007	1.8
363.21716	1.4
379.21204	1.1
407.20700	100.0
408.21036	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	407.2434
Annotation	Dimethamine
Peak:m/z	Relative Intensity
57.03442	8.6
59.01370	0.6
59.18928	0.1
63.02402	0.2
65.00328	0.4
67.34844	0.1
70.10929	0.4
81.03439	1.2
83.01381	7.4
89.57893	0.1
92.92838	0.2
103.80626	0.1
107.01388	0.5
115.00666	0.2
115.31572	0.1
121.02928	0.6
123.04496	0.7
125.02434	100.0
126.01863	0.3
126.02766	3.1
130.74327	0.1
139.09492	0.1
149.02405	1.1
151.00359	0.7
167.03487	1.2
201.31042	0.1
239.20152	0.2
281.21191	2.4
282.21487	0.2
347.17239	0.2
389.23172	0.4
407.24323	11.6
408.24734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90464	4.3
57.03461	5.0
59.01090	7.5
59.01376	100.0
61.98809	12.8
69.91316	22.4
71.01371	13.5
73.02930	18.5
75.00854	18.7
85.02922	10.8
87.00875	5.6
89.02435	6.3
96.96000	94.9
98.95567	15.7
99.45028	4.4
101.02432	12.9
101.06061	4.3
109.02945	12.2
113.02405	7.4
120.99641	5.1
121.02957	4.4
125.02421	15.8
145.02882	6.2
149.02394	14.1
150.03239	9.4
165.05595	10.2
177.01906	5.1
192.99620	44.2
195.06590	9.6
213.26756	4.4
220.62656	4.8
236.68379	4.0
254.25027	5.0
329.19324	5.0
341.73279	5.2
359.14703	14.1
363.04547	4.6
375.96317	4.9
407.08505	11.3
407.17447	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88277	0.4
55.01878	0.5
57.03442	1.2
58.00626	0.4
59.01374	100.0
60.01706	1.6
61.98825	6.6
69.73604	1.9
71.01381	11.8
72.04740	0.5
72.99303	0.6
73.02940	4.0
75.00861	0.5
79.95741	0.5
83.01390	1.3
85.02956	3.4
87.00867	2.6
89.02435	6.6
89.02906	0.5
90.91396	0.4
95.01398	0.9
95.95218	0.6
96.95997	9.0
96.96571	0.6
97.06510	0.5
99.00875	0.8
101.02442	8.3
101.03068	0.6
103.58339	0.6
113.02448	5.9
115.00357	5.9
115.07649	1.3
119.03465	2.9
131.03493	0.6
136.01706	0.5
136.63458	0.4
143.03535	1.2
150.03247	1.3
151.03961	0.5
159.03003	0.6
161.04550	8.3
163.03983	0.7
165.05547	1.2
167.10869	0.5
175.02461	12.9
175.03912	0.7
175.62572	0.5
176.02853	0.7
176.05118	0.5
177.02835	0.5
179.05591	2.2
181.05118	1.3
185.11832	1.3
195.06694	1.0
211.06192	1.0
241.00279	1.5
347.17029	14.4
348.17554	1.7
407.10269	5.8
407.19058	4.1
408.10400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
57.03431	0.3
57.53703	0.2
59.01375	1.4
69.35902	0.4
69.36318	0.8
71.01385	1.2
73.02941	0.5
79.95728	0.4
83.01379	0.4
85.02927	1.2
95.01335	0.2
96.96007	1.8
99.00824	0.2
101.02416	1.2
113.02438	0.5
117.03453	25.2
118.03741	0.9
119.05012	10.9
120.05370	0.3
121.02905	0.4
123.04482	0.3
133.02821	0.2
137.08882	0.2
145.02933	100.0
146.03267	4.8
163.03990	9.0
163.05389	0.4
164.04315	0.6
186.86284	0.2
210.38254	0.2
407.17041	51.9
408.17380	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	407.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75836	0.5
57.03434	0.9
59.01375	7.9
60.32912	0.5
61.98835	1.0
65.59067	0.4
70.76659	1.3
71.01367	2.9
73.02940	1.6
79.95736	13.5
80.96505	1.7
83.01388	0.5
83.84760	0.4
85.02920	2.8
87.00908	0.4
89.02453	0.6
95.01471	0.4
95.95223	2.1
96.96000	43.3
101.02423	2.8
113.02445	1.0
117.03453	21.6
118.03790	1.0
119.05037	3.9
121.02964	0.9
132.23201	0.4
139.92030	0.4
145.02936	100.0
146.03268	4.9
147.04478	0.5
163.03999	3.8
165.09146	1.2
166.10367	0.5
171.10254	2.8
209.08153	4.1
211.13373	2.3
229.14397	3.3
235.06369	0.7
258.20346	0.5
327.21640	3.5
371.13501	1.6
398.11957	0.5
407.17172	93.2
408.17517	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	407.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.1
59.01375	1.4
61.98811	0.2
71.01373	1.4
71.11149	0.1
72.99316	0.1
73.02956	0.7
78.93198	0.1
83.01392	0.5
84.20161	0.1
85.02934	1.2
87.00858	0.1
89.02451	0.1
89.03945	0.1
93.03443	0.2
96.73236	0.1
96.95997	0.2
98.19840	0.3
99.00865	0.2
101.02422	1.2
101.25651	0.1
102.61511	0.1
111.00830	0.1
113.02457	0.4
116.24113	0.1
117.03452	26.0
118.03755	1.0
119.05013	9.9
120.05336	0.3
121.02939	0.7
123.04509	0.4
125.02376	0.1
137.02419	0.2
145.02934	100.0
146.03270	4.2
146.04486	0.1
147.04509	0.2
162.03188	0.1
163.03990	9.6
164.04323	0.5
229.68936	0.1
307.08148	0.1
341.61960	0.1
347.16858	0.2
407.17026	51.3
408.17377	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	407.1707
Annotation	Piptocarphin F
Peak:m/z	Relative Intensity
55.01875	0.3
59.01377	1.2
69.03447	0.2
69.56014	1.0
71.01368	1.4
73.02938	0.6
77.96485	0.1
83.01376	0.3
85.02973	0.8
89.02437	0.1
95.01376	0.1
95.52693	0.1
99.00844	0.2
101.02446	0.8
113.02432	0.6
117.03457	24.4
118.03773	0.8
119.05015	9.8
120.05305	0.4
121.02943	0.5
124.04842	0.2
145.02937	100.0
146.03275	3.9
147.04497	0.3
162.03221	0.2
163.03992	8.5
164.04288	0.3
218.46176	0.1
245.50079	0.1
407.17044	46.8
408.17407	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	407.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
57.06474	1.1
57.68637	1.1
59.01374	100.0
60.01696	1.3
61.98829	5.7
63.96227	1.1
64.84452	1.0
70.14129	5.3
71.01379	16.6
72.99258	1.1
73.02944	9.7
77.52448	1.1
81.07114	1.1
81.43084	1.2
85.02945	4.4
87.00877	2.0
89.02428	13.9
96.96003	23.0
98.20479	1.6
99.00882	1.9
101.02444	10.2
113.02449	6.8
115.00332	1.6
119.03487	7.1
135.72382	1.2
143.03493	2.0
148.01631	1.5
149.02484	1.6
150.03200	6.6
151.04074	1.5
153.05542	2.7
161.04535	9.3
163.04027	2.9
165.05548	8.5
166.02625	1.4
175.02452	5.3
179.05612	3.5
181.05103	6.3
185.11702	1.4
193.05064	1.4
195.06636	4.0
209.08179	3.8
211.06100	7.7
241.00179	2.2
254.53366	1.2
270.47623	1.2
347.17065	18.3
407.10062	12.6
407.18719	8.1
408.19357	2.4
430.89008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49551	12.0
51.60081	12.6
59.01374	51.4
69.41007	96.5
69.41421	27.9
71.01366	14.9
71.87968	13.2
77.40604	13.7
94.42737	13.6
96.96029	46.0
117.03469	19.2
145.02913	68.9
276.42291	13.9
327.21191	17.8
359.69144	14.6
407.17245	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	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31062	1.0
51.45898	1.0
59.01373	5.3
61.98824	100.0
71.29488	2.7
96.95982	3.1
98.20545	1.1
102.55937	1.1
132.92415	1.3
150.53831	1.1
151.07565	1.1
202.43640	1.5
246.20679	1.2
262.24313	1.1
286.13712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98885	2.2
57.03437	6.5
58.99594	17.2
59.01372	95.2
61.98814	7.9
65.03952	6.4
68.99801	4.6
69.03446	9.2
69.78948	7.1
69.79363	5.1
71.01375	30.1
72.98341	2.3
72.99284	3.0
73.02934	5.6
74.99083	28.2
75.00872	6.1
81.03441	9.2
83.01395	6.0
83.05011	11.6
85.02950	6.3
87.04508	3.1
89.00669	6.1
89.02449	5.0
93.03444	17.9
95.01378	8.4
96.95993	20.6
97.02950	9.2
99.00882	4.5
99.87763	2.1
101.02439	9.3
101.06065	8.7
107.01400	6.9
107.05012	39.5
109.02943	13.9
111.04520	4.9
111.24440	2.2
113.00665	18.8
113.02454	4.0
115.07566	2.5
117.03442	19.6
119.05029	9.1
121.02943	6.5
123.04519	23.6
125.02428	82.0
126.02769	2.4
131.07111	3.5
133.02931	5.0
134.03688	2.8
135.04506	22.1
137.00690	2.8
137.02428	37.9
141.00121	7.1
141.01883	3.3
143.62929	2.6
145.02928	88.2
146.03281	4.2
147.04456	2.6
149.02434	2.6
149.06097	3.6
150.03239	14.7
151.00362	8.4
151.03978	55.3
152.04405	2.8
153.01910	4.2
155.03424	5.1
155.08606	2.3
157.03230	6.4
160.01642	6.1
161.02409	3.7
161.04585	2.8
163.03990	7.7
164.04625	2.1
165.00127	6.8
165.01862	4.0
165.05566	7.1
166.99664	3.2
167.01706	32.7
168.02065	2.6
169.03270	29.9
177.05536	4.6
179.03468	32.1
183.01187	5.6
185.02763	37.7
192.99617	100.0
193.05032	34.1
193.99864	4.9
194.05806	22.4
199.04242	5.1
209.08151	35.2
211.04289	8.6
221.04512	4.7
227.03815	45.7
228.04184	3.1
233.08160	7.5
240.71323	2.3
249.07639	9.3
255.03288	5.2
265.04932	2.3
285.04041	4.4
285.07608	4.4
287.09201	9.3
293.08603	3.6
301.01730	4.0
317.01208	2.9
319.02896	61.2
320.03033	7.0
329.10056	12.1
347.20639	7.1
363.08926	8.3
365.06732	5.3
371.13367	6.6
407.04102	9.8
407.09048	3.3
407.17020	52.8
407.21664	3.4
408.17123	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	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43945	1.3
59.01091	3.1
59.01376	52.9
61.98816	2.0
63.84199	1.4
65.99840	1.6
67.14723	1.4
67.35972	1.4
70.99516	3.5
71.01375	20.3
72.99302	2.6
73.02942	5.6
75.00851	2.4
79.92376	1.4
79.95737	5.7
82.02991	7.1
83.01376	3.8
85.02939	7.6
87.00862	1.8
89.02436	14.4
95.01413	2.1
96.96032	2.5
99.00850	2.8
101.02428	11.7
108.02184	2.6
109.02934	14.4
113.02451	8.0
119.03490	3.7
123.04498	2.3
125.02431	3.1
131.31519	1.7
137.02478	1.6
142.03102	1.4
143.03519	1.7
147.08139	22.4
148.03912	1.5
149.02472	2.2
149.09717	3.7
150.03220	2.9
151.04051	1.7
152.01134	4.1
153.01907	15.2
160.07652	2.4
161.04539	11.2
161.05800	1.8
162.04355	1.6
164.03543	4.2
165.05524	2.9
166.02705	2.3
167.03455	3.2
177.22545	1.7
179.03491	7.5
179.05597	2.7
179.07144	1.9
181.05113	3.4
185.11850	2.5
188.07143	2.6
189.06802	1.5
194.04671	1.5
202.08791	3.7
204.05368	1.9
211.06076	1.8
214.05029	1.5
215.04518	2.3
216.05138	3.5
216.10294	2.1
217.02493	4.2
217.06216	6.9
227.03853	14.8
228.06609	2.9
229.06113	7.8
230.03435	2.3
230.06935	3.0
231.07733	10.1
232.08531	4.1
241.06093	2.4
242.03445	1.7
243.04114	16.7
243.07648	3.6
244.04886	10.9
244.09767	9.2
245.09343	4.6
248.09198	2.3
256.04883	5.2
257.05710	11.2
258.06296	5.7
259.07208	36.6
259.10815	5.5
260.07309	2.4
269.09332	3.2
271.07208	19.6
272.07785	1.8
285.08673	3.3
287.10352	54.8
287.13544	3.0
288.08408	2.9
288.11099	2.3
291.09885	11.5
297.06085	4.4
313.08261	77.8
314.08594	9.0
317.23480	2.0
331.09341	44.7
332.09741	4.4
345.10919	7.7
347.16998	22.9
348.17416	3.0
357.07227	1.9
359.11304	3.5
375.08279	19.8
376.08743	2.3
389.09915	4.8
405.47385	1.8
407.10495	100.0
407.19086	6.2
408.10779	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	405.264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.0
61.98824	0.9
70.76563	1.1
71.13883	0.4
74.95700	0.4
81.03457	1.8
81.34042	0.4
83.01376	7.8
95.79862	0.3
105.05758	0.4
107.01428	0.5
121.02969	0.6
123.04507	0.9
125.02436	100.0
126.02750	3.0
149.02441	1.3
151.00381	0.5
164.06001	0.4
167.03456	1.2
279.23297	3.5
371.80862	0.5
395.02463	0.5
405.26498	7.4
406.26733	0.6
424.68015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52273	0.8
59.01372	100.0
61.98819	3.0
73.98229	0.9
81.73698	0.7
89.02433	1.1
96.95990	1.8
98.20736	1.4
113.87726	0.8
121.02939	0.8
125.02367	1.2
179.61197	0.7
184.94298	0.7
192.38783	0.8
229.11363	1.3
271.22681	1.6
364.95377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54600	1.7
51.91809	1.9
58.02968	12.3
59.01374	89.2
60.01696	4.5
60.83913	2.0
61.98840	2.2
66.05000	1.8
69.47472	1.9
71.01380	29.6
71.20300	1.9
71.21236	3.9
72.00930	1.9
72.01711	2.0
72.99330	1.8
73.02940	3.6
74.02464	28.0
82.02955	2.9
85.02939	10.1
86.02450	11.8
87.05633	6.7
89.02436	19.1
95.01398	2.2
96.95980	2.6
97.04047	2.4
99.00817	2.3
99.05631	23.3
101.02436	19.1
101.07204	5.0
102.05595	5.8
108.02138	2.9
109.04042	5.9
111.05648	2.0
112.04012	3.6
113.02430	10.9
119.03508	9.6
121.04070	2.1
123.05640	2.6
125.03536	4.5
127.05106	4.0
128.03529	71.8
133.06900	14.5
135.05640	9.6
137.07193	1.9
141.06624	3.4
143.04604	100.0
144.04965	2.3
145.06177	3.7
146.04582	14.4
149.09674	5.3
150.03166	4.0
151.03961	2.9
153.06657	6.8
159.03067	2.3
161.04568	14.5
165.05548	4.6
166.09747	4.0
167.04596	3.8
167.08200	7.2
170.03270	2.0
171.04070	4.1
179.04485	22.9
181.06165	4.0
184.10663	2.6
193.05031	2.6
197.05621	4.5
197.74052	1.7
210.08812	20.6
217.84151	1.6
228.09810	3.0
242.14755	3.3
254.07770	52.9
255.08061	2.4
272.08847	66.1
273.09122	3.5
277.12210	6.4
308.07465	4.2
347.17035	14.9
388.15524	12.9
406.16467	84.1
406.21252	6.8
407.17068	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	405.264
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
57.03436	2.7
59.01352	1.0
65.00321	1.0
68.99789	0.5
70.76529	0.6
80.02690	0.5
80.61600	0.3
81.03452	18.2
82.03761	0.4
83.01373	1.9
83.05021	0.6
95.25672	0.3
104.62956	0.3
107.01373	1.1
121.02946	0.4
122.03707	1.0
125.02441	13.8
126.02791	0.5
151.00363	1.3
151.64908	0.3
219.71941	0.3
223.20644	0.3
251.23854	1.3
275.23743	0.3
275.80557	0.3
277.25253	1.7
279.23145	1.8
291.27017	1.4
295.26373	0.6
301.25302	1.9
315.26807	0.3
319.26364	2.8
321.24515	0.7
343.26501	1.1
361.27463	13.1
362.27786	1.4
387.25186	0.6
405.26410	100.0
406.26718	13.7
406.32263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.5
60.99310	9.9
61.96851	7.1
61.98823	18.0
69.53067	54.6
77.35135	6.9
85.53143	7.4
88.98794	100.0
89.02453	34.5
96.95994	9.0
113.13886	8.1
125.02443	22.9
136.75294	7.0
142.12875	6.9
157.07014	7.5
196.14351	7.9
278.11371	13.1
290.94922	8.2
315.19363	76.3
327.93832	8.1
333.19125	9.7
359.18396	14.9
360.04129	7.9
405.22635	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	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.32510	17.3
61.98829	66.5
68.54403	14.3
68.59736	15.0
70.82982	45.3
70.83337	19.9
73.13908	14.2
75.00887	24.1
78.56021	16.9
78.95877	18.7
82.04611	14.2
83.48553	13.6
96.96005	32.1
121.03013	20.4
123.22883	16.3
156.14813	15.0
213.41609	14.2
217.13196	16.4
238.98045	16.8
283.08490	21.8
354.12573	17.3
405.26254	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	405.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77740	16.3
59.01377	100.0
61.98820	66.0
71.58060	33.5
75.74104	17.1
79.95738	20.3
96.95984	52.8
121.02888	24.6
126.77573	18.0
179.64453	18.1
273.72305	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	405.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
59.01366	1.2
61.98808	0.4
65.00314	1.5
68.99807	0.6
71.61955	0.5
81.03448	17.7
82.03759	0.4
83.01374	1.9
83.05017	0.4
97.32173	0.2
107.01382	0.6
119.35862	0.3
121.02894	0.3
122.03726	1.6
125.02431	15.0
126.02785	0.4
140.11002	0.3
151.00337	1.4
153.17880	0.2
162.03186	0.3
251.23711	1.4
275.23877	0.4
277.25342	1.9
279.23215	2.2
291.26932	1.3
293.24854	0.3
295.26294	0.5
299.33221	0.3
301.25327	2.2
315.26431	0.3
319.26309	3.8
320.26767	0.5
321.24240	0.9
333.27985	0.5
343.26428	0.8
361.27399	12.9
362.27771	1.6
387.25519	0.8
405.26389	100.0
406.26749	12.8
406.32178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.3
59.01364	1.1
61.98819	0.4
62.62265	0.3
65.00319	0.4
65.83708	0.3
68.99826	0.3
81.03439	1.6
83.01382	9.1
107.01360	0.8
121.02950	0.5
123.04506	1.4
125.02437	100.0
126.02785	2.7
149.02426	1.5
151.00343	0.6
167.03529	1.9
209.19022	0.6
230.21817	0.3
235.20699	0.7
237.18611	0.8
279.19659	2.2
313.89902	0.3
371.40576	0.3
405.22742	9.7
406.22983	1.3
419.51044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2277
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
57.03441	1.2
59.01370	1.5
61.98819	1.0
65.00323	3.5
67.01886	1.3
68.99808	5.8
69.69820	0.5
69.81788	0.5
71.62317	0.5
73.94630	0.5
81.03443	2.9
83.01378	1.5
89.00282	0.6
102.02615	0.5
107.01387	0.6
111.00858	0.7
114.76305	0.6
125.02427	3.5
135.00859	1.3
145.10915	0.5
148.57973	0.5
151.00352	1.8
153.01947	4.3
162.03239	0.7
166.10947	0.5
172.42935	0.5
176.98227	1.0
178.99835	4.3
190.02634	1.0
192.00615	2.4
193.01279	0.8
208.68027	0.5
223.20625	1.9
249.22256	1.4
251.20119	2.8
267.23203	0.7
291.23245	0.7
293.21051	1.1
333.24319	1.1
359.22250	1.6
361.23718	1.2
371.99307	0.6
377.23065	1.3
387.21759	2.0
393.71112	0.6
394.05734	0.6
403.21210	12.5
404.21500	1.6
405.22717	100.0
406.23102	13.4
428.84311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03443	1.2
59.01373	100.0
60.01706	1.0
61.98828	1.4
65.00324	0.8
65.03954	2.3
67.01881	1.3
68.99827	0.5
71.01377	6.5
73.02935	2.6
75.00875	0.5
81.03480	0.5
83.01412	0.7
83.46442	0.4
85.02946	2.4
89.02453	2.1
91.01884	36.8
92.02233	0.7
93.03458	0.8
95.01400	0.6
96.95992	5.7
99.00890	0.6
99.04500	0.5
101.02423	4.6
101.06078	1.1
103.39506	0.6
107.05006	2.3
108.02160	3.2
109.02940	27.3
110.03292	0.8
113.02440	2.3
115.07616	0.7
119.03473	0.8
121.02943	1.3
123.04478	0.8
125.02495	1.1
125.09701	0.9
133.02948	1.1
135.00867	95.7
136.01193	3.5
137.02429	4.1
144.70634	0.5
145.02899	0.8
149.02438	1.7
153.01920	80.5
154.02255	2.0
159.02943	0.6
161.02432	0.9
161.04547	4.9
174.01680	1.5
175.03970	3.0
177.01915	3.2
181.46376	0.4
183.13901	4.9
184.14201	0.6
195.22330	0.5
197.06042	1.1
225.05626	1.0
243.06578	11.8
244.07021	0.9
297.06107	15.0
298.06519	0.5
307.15317	0.9
317.01215	3.3
329.73679	0.5
331.21188	1.1
345.19012	0.9
382.93466	0.5
405.12262	10.1
405.21030	3.2
405.25809	3.7
406.12302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2125
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01869	1.1
57.03432	1.0
58.00575	1.8
59.01372	100.0
60.01703	1.0
61.98819	4.0
71.00985	1.5
71.01371	26.8
71.58383	0.9
72.99284	2.8
73.02939	8.0
75.00861	1.0
83.01373	3.4
83.50808	0.8
85.02940	10.9
85.06579	0.9
87.00865	1.2
89.02429	11.5
95.01354	2.3
96.95988	5.0
99.00859	5.5
101.02432	23.8
103.59398	0.8
113.02423	11.5
115.00336	0.8
119.03452	3.5
123.04479	3.7
125.02433	1.3
137.02414	2.5
143.03436	1.5
145.02884	1.6
151.00363	1.4
155.14384	2.7
159.02895	2.3
161.04524	16.3
161.28024	0.8
165.12775	3.2
181.04999	1.1
181.15981	1.3
185.11768	1.4
199.07430	0.9
199.13382	6.7
221.06570	1.1
225.14894	2.9
243.06548	1.8
281.06583	2.7
317.01184	1.6
345.19119	50.0
346.19424	4.5
405.21088	49.0
406.21320	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	405.2124
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01887	0.8
57.03441	0.7
58.00582	1.5
59.01375	100.0
60.01703	0.8
61.98828	3.0
67.99990	0.6
71.01376	33.6
72.99313	2.7
73.02955	1.4
75.00857	1.0
79.95736	1.1
83.01388	1.8
85.02937	4.6
86.08594	0.7
87.00885	1.1
89.02437	28.2
93.03452	5.1
95.01383	2.0
96.96007	3.1
99.00906	0.9
101.02431	14.4
101.06013	0.7
113.02455	9.8
117.03456	1.1
119.03498	10.9
120.99678	2.6
121.02972	1.0
125.02438	1.9
126.14247	0.7
131.03445	1.2
137.02438	9.3
143.03520	1.6
145.02928	3.1
149.04539	1.4
153.12837	2.3
161.04556	2.8
179.05602	4.9
199.13322	3.2
207.13889	0.7
345.19104	1.3
346.19275	0.9
386.22614	0.7
405.12256	1.4
405.21207	49.5
406.21609	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2125
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
50.90309	0.6
55.01860	1.6
57.03455	1.1
58.00586	0.7
59.01373	100.0
59.06192	0.7
60.01722	0.8
61.98822	2.2
69.47534	2.0
69.47952	3.2
69.55812	0.6
71.01374	21.2
71.01760	1.3
72.99302	1.6
73.02944	5.1
79.95731	3.7
83.01402	3.2
83.05029	2.5
85.02934	9.8
85.06575	1.0
89.02438	8.1
93.03481	0.9
95.01390	1.6
96.96011	2.0
98.19843	0.8
99.00867	2.9
101.02431	17.0
109.02933	1.9
113.02441	8.4
119.03503	2.0
121.02942	5.8
123.04504	6.4
130.62997	0.7
137.02458	2.1
143.03471	0.8
143.18108	0.6
145.02951	2.1
146.65143	0.5
155.03448	1.3
155.14389	1.8
159.02989	2.8
161.04544	15.5
179.05617	0.9
199.13399	4.0
301.22168	0.7
327.01901	0.7
345.19141	16.8
346.19434	0.8
405.11874	2.5
405.21176	25.6
406.21497	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
55.49306	0.5
57.30849	0.4
58.00600	0.9
59.01374	100.0
60.01711	1.3
61.98825	7.6
65.74802	0.5
66.13341	0.5
66.18803	0.4
69.45921	0.7
69.46333	2.8
70.22313	0.5
71.01368	9.9
72.99290	0.9
73.02950	2.0
78.91885	0.9
79.95715	0.5
83.01415	1.3
85.02946	2.0
87.00894	0.9
89.02431	11.6
93.03435	2.7
95.01386	0.9
96.96006	3.6
97.06622	0.5
101.02426	4.7
101.06106	0.8
107.01364	0.7
113.02444	4.0
115.07652	1.7
116.07983	1.0
117.03460	2.8
119.03466	5.1
119.04993	0.7
121.02946	1.0
123.00871	1.9
123.08206	0.5
125.09711	1.3
137.02435	9.4
138.03192	1.4
140.76042	0.4
143.03458	1.2
144.04599	0.5
145.02934	9.8
146.03322	0.8
147.31909	0.4
149.04500	0.5
150.03204	1.2
151.00333	2.6
152.56981	0.5
153.09274	0.5
161.04546	2.1
163.04005	1.1
165.00119	1.7
165.05554	0.9
171.10272	2.1
179.05565	2.7
227.80186	0.5
243.06601	1.9
255.02966	1.0
257.04605	2.2
283.02634	0.6
284.00238	0.5
284.03360	1.3
285.04092	0.7
317.01160	17.6
318.01587	1.6
319.21219	1.1
327.21921	0.8
343.21185	2.1
343.25156	0.6
345.19196	2.2
361.22198	0.5
387.23752	1.3
405.03516	2.7
405.11823	3.3
405.16507	1.4
405.24954	31.4
406.15259	2.4
406.25226	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	405.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
55.49306	0.5
57.30849	0.4
58.00600	0.9
59.01374	100.0
60.01711	1.3
61.98825	7.6
65.74802	0.5
66.13341	0.5
66.18803	0.4
69.45921	0.7
69.46333	2.8
70.22313	0.5
71.01368	9.9
72.99290	0.9
73.02950	2.0
78.91885	0.9
79.95715	0.5
83.01415	1.3
85.02946	2.0
87.00894	0.9
89.02431	11.6
93.03435	2.7
95.01386	0.9
96.96006	3.6
97.06622	0.5
101.02426	4.7
101.06106	0.8
107.01364	0.7
113.02444	4.0
115.07652	1.7
116.07983	1.0
117.03460	2.8
119.03466	5.1
119.04993	0.7
121.02946	1.0
123.00871	1.9
123.08206	0.5
125.09711	1.3
137.02435	9.4
138.03192	1.4
140.76042	0.4
143.03458	1.2
144.04599	0.5
145.02934	9.8
146.03322	0.8
147.31909	0.4
149.04500	0.5
150.03204	1.2
151.00333	2.6
152.56981	0.5
153.09274	0.5
161.04546	2.1
163.04005	1.1
165.00119	1.7
165.05554	0.9
171.10272	2.1
179.05565	2.7
227.80186	0.5
243.06601	1.9
255.02966	1.0
257.04605	2.2
283.02634	0.6
284.00238	0.5
284.03360	1.3
285.04092	0.7
317.01160	17.6
318.01587	1.6
319.21219	1.1
327.21921	0.8
343.21185	2.1
343.25156	0.6
345.19196	2.2
361.22198	0.5
387.23752	1.3
405.03516	2.7
405.11823	3.3
405.16507	1.4
405.24954	31.4
406.15259	2.4
406.25226	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	405.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.5
59.01378	100.0
61.98824	11.4
66.37639	2.7
71.01360	15.4
71.62585	3.0
71.63023	5.4
72.99321	3.4
73.02946	17.0
75.11629	3.7
79.95728	4.8
85.02951	6.9
87.49093	2.9
89.02455	4.5
93.03442	11.2
96.96004	52.1
101.02445	11.2
103.95709	2.5
104.98123	5.3
113.02441	3.8
113.42477	2.7
115.77077	2.5
121.02966	9.1
122.03712	9.9
125.09686	4.9
137.02431	4.9
149.02461	28.3
150.03217	56.2
151.03857	2.7
155.10762	6.6
161.02350	5.3
161.04547	4.4
164.04826	3.6
165.05556	73.3
166.05917	3.9
176.04822	5.3
179.03487	5.8
180.04347	3.7
194.05740	4.5
195.06602	47.4
201.11311	12.7
209.08174	10.5
241.00229	5.0
315.18011	8.9
319.21179	7.4
357.13361	22.0
360.38953	2.9
361.22253	5.8
405.08481	21.4
405.16788	24.9
405.20062	3.2
405.25595	23.9
406.25201	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	405.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	42.7
61.98816	21.4
83.05014	44.8
93.03419	25.4
96.96014	16.0
107.05055	9.5
109.02960	18.7
121.02955	66.4
123.04517	100.0
137.02406	45.9
155.03464	18.0
211.27090	9.5
358.37341	12.8
405.11758	40.2
405.16425	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	405.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03449	2.9
58.00582	1.6
59.01373	100.0
60.63939	0.8
61.98812	6.5
64.94515	0.7
69.49086	4.9
71.01375	43.7
72.99322	2.6
73.02952	8.1
75.37576	0.8
77.10886	0.7
83.01392	2.9
85.02940	14.8
87.00871	8.3
87.04526	1.3
89.02435	35.1
90.02756	0.8
95.01372	4.1
96.96024	2.3
97.02936	1.0
99.00877	3.1
101.02428	26.4
103.04059	1.6
109.02969	0.8
109.06573	2.7
111.04523	1.9
113.02435	20.0
113.06065	3.9
115.00357	7.5
116.92845	1.2
119.03484	16.8
119.96248	0.7
122.82252	0.7
127.07651	1.0
129.01924	1.1
130.11755	0.7
131.03494	1.8
137.02377	1.1
139.04002	1.1
143.03500	3.2
147.08171	2.8
149.04561	1.1
155.01662	1.3
159.02936	1.9
161.04544	22.2
162.04915	0.9
163.07570	0.8
165.09158	3.0
175.02466	21.9
176.02843	0.9
179.05577	7.0
183.10237	10.3
205.03328	0.9
225.11307	2.0
255.12387	1.9
255.91919	0.9
287.11407	0.9
327.14459	1.7
345.15485	5.9
346.15808	1.0
405.17426	63.6
406.17816	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03435	0.9
58.00584	1.4
59.01374	33.6
59.86727	0.3
60.01705	0.5
69.33078	3.2
71.01375	15.7
71.10357	0.3
72.99303	1.2
73.02937	4.9
75.00877	0.3
83.01366	0.9
85.02953	4.0
87.00896	0.8
89.02433	15.2
95.01389	1.1
95.05004	1.1
99.04528	1.1
101.02438	7.3
113.02449	5.2
119.03488	5.0
131.03500	0.7
143.03539	0.6
149.04599	0.5
149.25926	0.4
161.04535	0.5
163.11269	4.2
179.05586	0.8
180.50174	0.4
181.12318	26.8
182.10780	0.3
182.12537	1.6
183.10147	0.4
207.10240	1.1
225.11287	100.0
225.31212	0.4
226.11649	6.9
243.12323	1.1
249.10947	0.4
264.89786	0.3
319.21411	0.5
356.81656	0.4
361.22470	0.5
363.23886	0.5
405.17578	40.7
406.17856	4.9
417.07602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.4
61.98822	0.9
69.12404	0.6
69.33607	5.6
71.01375	2.4
73.02937	1.4
79.95744	4.5
80.42426	0.5
80.96511	1.9
85.02938	1.3
86.44314	0.6
95.95240	1.3
96.96001	100.0
101.02409	1.5
113.02476	0.7
122.97520	0.7
125.30155	0.6
138.97003	4.3
150.97011	1.4
155.10829	1.5
180.98201	0.9
200.34756	0.6
213.93900	0.7
222.99176	0.7
241.00203	15.7
242.00439	0.6
319.21176	0.9
369.53281	0.7
379.47766	0.6
382.19724	0.6
405.08554	45.5
405.16406	4.3
405.24954	3.0
406.08676	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	405.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03223	1.3
52.21315	1.3
59.01376	62.4
60.45270	1.2
60.45584	1.1
61.98827	7.3
64.77956	1.3
69.68886	5.3
69.69301	3.0
71.01379	11.8
72.99309	1.9
73.02959	1.8
75.00858	1.6
79.95735	4.3
80.96488	2.1
85.02945	4.0
87.00867	1.8
89.02431	11.5
95.01382	1.6
95.95226	1.5
96.96000	100.0
98.20594	2.6
99.00874	1.8
99.93760	1.4
101.02428	4.8
113.02444	3.9
119.03506	3.3
124.82701	1.6
131.03491	1.3
136.61168	1.1
138.97044	3.6
157.08723	2.4
161.04549	1.8
179.05681	1.8
183.10208	1.8
201.11305	2.0
241.00186	14.4
301.20209	1.9
319.21121	9.1
345.15414	3.3
345.22589	1.5
361.22266	6.2
405.08524	45.7
405.16879	4.8
405.25595	6.8
406.09036	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	405.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.2
58.00576	2.7
59.01374	67.9
59.58619	2.0
61.98833	8.0
64.89795	2.0
65.61200	2.2
67.38516	2.3
71.01382	19.0
71.05019	2.7
71.62896	3.0
72.99317	7.5
73.02944	16.4
73.53518	2.0
74.99119	2.2
75.00877	3.3
80.50762	1.9
83.05032	2.7
85.02956	9.8
87.00858	4.6
87.04523	6.5
89.02448	15.3
93.03506	2.8
96.96031	3.2
97.06612	5.2
98.02438	2.6
99.04564	3.4
101.02458	10.5
101.06065	2.2
109.06589	4.9
111.08144	3.2
113.02462	6.7
119.03503	5.7
121.06568	2.1
123.04535	3.3
123.08122	2.7
125.09742	3.3
137.02466	6.9
137.09637	2.1
145.02953	9.6
145.08589	2.6
153.09172	3.2
157.18944	2.2
163.03998	2.6
163.11345	3.8
165.02008	6.6
167.10841	2.7
176.04764	4.1
179.03586	2.8
180.04283	4.4
181.12297	26.9
187.09807	6.2
191.03769	4.0
191.05640	10.6
191.07201	7.5
195.06729	4.6
206.05791	3.0
217.10873	4.6
219.00073	2.3
221.08224	9.0
225.07709	4.3
225.11304	50.5
226.11697	2.8
241.06250	3.5
243.06688	11.9
243.12331	8.9
281.06564	2.8
285.12399	3.3
301.20251	7.6
311.10406	5.5
318.01871	2.7
319.21341	9.7
329.11301	10.3
345.22571	2.3
361.22449	6.2
363.24100	3.2
387.23840	17.7
405.11880	7.3
405.17429	23.9
405.25082	100.0
406.25388	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.9
59.01375	100.0
71.01376	40.1
71.62931	2.0
72.99283	2.0
73.02940	5.2
73.66898	2.2
77.23012	2.0
83.44424	1.5
85.02953	8.9
85.03373	1.5
87.00870	2.1
89.02430	30.1
93.03434	8.6
95.01369	1.8
96.96004	4.9
101.02429	21.3
101.06038	2.2
108.00217	1.8
109.02907	3.4
113.02412	11.3
119.03487	11.4
121.02950	30.2
122.03809	3.2
133.02820	2.0
137.02473	8.6
138.03178	2.6
138.49506	1.6
139.03995	30.0
139.11246	1.6
149.02393	8.1
149.04459	1.8
150.03204	31.5
151.03908	2.3
153.01900	2.5
153.12775	4.9
161.02441	1.9
161.04494	4.0
161.55440	1.7
165.05542	37.1
165.35725	1.9
166.05861	1.9
169.97392	1.8
179.03564	4.2
179.05562	3.7
180.04141	2.6
194.05730	3.9
195.06580	20.8
199.13396	2.1
199.92842	1.8
209.08087	7.3
225.14865	5.0
225.42497	1.8
243.06586	2.6
243.15858	5.8
283.08185	6.6
405.11963	7.2
405.17447	4.4
405.21170	96.7
406.21469	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
69.51080	2.4
71.01371	2.5
73.02950	1.1
79.95731	4.4
80.96525	2.4
85.02963	1.0
87.00848	0.7
93.03448	3.5
95.01384	0.4
95.95232	1.2
96.96004	100.0
101.02435	1.7
108.02164	2.6
110.97570	0.6
113.02453	0.9
121.02950	5.0
122.03735	4.9
123.04520	4.1
131.47551	0.4
133.02954	0.5
136.01678	0.4
137.02444	3.6
137.09721	1.1
138.97086	5.2
143.03479	0.4
149.02431	15.9
150.03218	30.8
150.97040	0.8
151.03789	1.4
155.10768	3.5
161.02379	2.5
164.04810	3.4
164.98553	0.8
165.05554	36.2
166.05882	1.7
168.98112	0.7
175.07605	0.7
175.37675	0.4
176.04745	1.1
179.03485	3.8
180.02887	0.4
180.04202	2.6
180.98087	0.7
181.08670	0.4
191.07085	0.9
194.05807	3.5
195.06598	21.2
196.06937	1.3
199.07642	2.4
199.09460	0.6
200.32101	0.4
207.87306	0.3
209.08145	5.9
222.99065	1.1
233.01633	0.4
241.00226	15.4
242.00517	0.5
247.95474	0.4
281.06677	5.5
313.11020	0.5
319.21149	0.5
342.11017	1.8
357.13397	10.3
358.13693	1.0
405.08502	48.2
405.17365	3.7
406.08780	4.0
406.17673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.2
58.00576	2.7
59.01374	67.9
59.58619	2.0
61.98833	8.0
64.89795	2.0
65.61200	2.2
67.38516	2.3
71.01382	19.0
71.05019	2.7
71.62896	3.0
72.99317	7.5
73.02944	16.4
73.53518	2.0
74.99119	2.2
75.00877	3.3
80.50762	1.9
83.05032	2.7
85.02956	9.8
87.00858	4.6
87.04523	6.5
89.02448	15.3
93.03506	2.8
96.96031	3.2
97.06612	5.2
98.02438	2.6
99.04564	3.4
101.02458	10.5
101.06065	2.2
109.06589	4.9
111.08144	3.2
113.02462	6.7
119.03503	5.7
121.06568	2.1
123.04535	3.3
123.08122	2.7
125.09742	3.3
137.02466	6.9
137.09637	2.1
145.02953	9.6
145.08589	2.6
153.09172	3.2
157.18944	2.2
163.03998	2.6
163.11345	3.8
165.02008	6.6
167.10841	2.7
176.04764	4.1
179.03586	2.8
180.04283	4.4
181.12297	26.9
187.09807	6.2
191.03769	4.0
191.05640	10.6
191.07201	7.5
195.06729	4.6
206.05791	3.0
217.10873	4.6
219.00073	2.3
221.08224	9.0
225.07709	4.3
225.11304	50.5
226.11697	2.8
241.06250	3.5
243.06688	11.9
243.12331	8.9
281.06564	2.8
285.12399	3.3
301.20251	7.6
311.10406	5.5
318.01871	2.7
319.21341	9.7
329.11301	10.3
345.22571	2.3
361.22449	6.2
363.24100	3.2
387.23840	17.7
405.11880	7.3
405.17429	23.9
405.25082	100.0
406.25388	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36204	0.4
59.01375	100.0
60.01722	1.2
60.99302	0.5
61.98833	2.6
63.96243	1.5
64.59142	0.5
66.45485	0.4
70.62197	1.0
70.62541	0.5
71.01385	2.2
72.99306	1.9
74.99094	1.0
85.02936	1.1
87.00855	0.9
88.98825	2.1
89.02470	1.5
90.83770	0.4
96.95998	4.6
100.98582	0.5
101.02458	1.7
108.35775	0.5
113.02498	0.8
117.97343	1.2
119.03487	0.5
122.03741	0.6
135.98355	4.2
137.00702	1.2
145.18268	0.5
148.10184	0.5
150.03282	0.5
151.04004	0.5
153.01917	2.4
153.05569	1.0
154.11615	0.4
161.04584	1.0
165.01889	0.5
168.04262	3.7
177.76883	0.5
178.15469	0.5
181.56952	0.5
183.06595	19.0
184.06995	0.8
212.28809	0.6
305.10544	0.6
405.08783	2.0
405.17520	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	405.1399
Annotation	Pamapimod
Peak:m/z	Relative Intensity
54.59475	1.7
56.42194	1.4
58.00586	5.2
58.68821	1.7
59.01376	86.2
61.98826	47.5
63.96242	8.6
67.77286	1.6
71.01379	60.3
71.18402	3.3
71.18757	2.0
72.99306	12.5
73.02950	5.3
74.99090	7.8
75.00877	1.7
83.01379	2.0
83.39273	1.8
85.02951	12.3
87.00877	10.6
88.98808	6.4
89.02438	73.7
90.02793	1.6
90.76368	1.4
95.01366	3.9
96.19654	1.4
96.95998	14.5
99.00864	1.7
101.02441	35.4
102.02757	1.8
108.02151	2.8
113.02437	25.7
117.97276	6.3
119.03498	28.4
121.02962	4.9
123.04527	3.6
131.03505	1.9
135.98354	23.2
137.00661	10.9
138.01033	2.8
143.03513	3.5
149.02446	20.5
149.04469	1.6
150.03159	1.6
161.04509	5.2
165.05569	4.5
175.03966	1.6
177.01909	100.0
178.02365	4.4
179.03401	1.7
179.05577	11.1
180.04245	1.5
191.03464	3.1
192.04274	49.3
193.04659	4.3
195.02948	6.1
197.91719	2.1
199.04736	1.6
207.06631	13.8
210.05287	7.5
225.07681	20.0
226.07964	2.3
315.07263	2.9
387.12918	10.0
405.08655	14.5
405.17380	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	405.1187
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.03409	0.3
58.99527	0.2
59.01376	11.1
61.98825	6.1
64.37133	0.2
65.00302	0.9
65.03959	3.0
67.01888	1.2
68.99808	0.5
69.47987	0.9
69.48390	0.8
71.01369	1.8
72.99295	0.3
73.02921	0.5
77.28305	0.2
79.95703	0.3
80.02640	0.4
83.01383	0.3
83.04985	0.2
85.02930	0.6
87.00873	0.3
89.02436	1.2
91.01886	40.4
92.02216	1.2
93.03445	1.2
96.96009	4.8
97.06586	0.3
101.02447	1.2
101.06071	1.0
107.01381	0.5
107.05017	2.4
108.02156	2.7
109.02943	27.9
110.03255	0.4
111.60034	0.3
113.02464	0.5
114.43484	0.2
115.07646	0.5
117.03451	0.3
119.03471	0.5
119.05038	0.3
121.02917	1.6
123.00882	1.5
123.04510	0.6
133.02963	1.2
135.00871	100.0
136.01154	3.4
137.02426	6.2
138.03185	0.8
145.02936	1.3
148.01651	0.3
149.02382	1.4
151.00323	0.6
151.04034	0.5
153.01921	85.4
154.02243	3.0
159.06586	0.3
161.02434	0.9
161.04457	0.3
163.03999	0.6
165.00191	0.5
174.01743	0.4
175.03996	3.8
177.01892	2.6
177.03009	0.2
179.03635	0.2
189.01889	0.2
195.02971	0.3
197.06055	1.1
199.07671	0.4
225.05656	0.9
241.00368	0.6
243.06581	12.6
244.06982	1.2
255.03096	0.3
257.04517	0.5
259.19003	0.3
267.06674	0.6
284.03287	0.3
297.06122	14.8
298.06686	1.0
317.01181	4.4
318.01453	0.4
345.19263	0.4
405.03336	0.6
405.12262	11.9
405.17627	1.7
405.25220	1.3
406.11942	1.5
422.87985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
69.37263	2.9
70.33025	0.4
71.01369	1.8
73.02943	1.0
73.51822	0.4
79.95728	3.3
80.96518	2.0
85.02943	0.5
87.00854	0.9
95.95229	1.3
96.96000	100.0
97.95964	0.4
101.02426	0.7
109.23770	0.4
110.97552	0.6
113.02420	0.5
113.96549	0.4
121.36326	0.4
122.97574	0.8
124.42154	0.4
138.97063	5.6
148.05270	0.5
149.02382	0.7
150.03207	2.1
150.97038	1.3
155.10759	1.0
164.98555	0.7
165.05559	1.9
168.98160	0.6
180.98174	0.4
195.06534	1.1
222.99098	0.9
225.66907	0.4
241.00195	15.0
405.08536	47.6
406.09039	3.7
415.38095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1187
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01369	0.7
61.98810	0.3
63.62265	0.1
65.03943	0.5
69.81667	0.9
71.01388	0.2
79.95737	0.5
80.96517	0.2
81.03476	0.3
83.05019	1.5
85.02941	0.2
91.01881	2.6
93.03449	40.0
94.03785	1.0
95.01363	0.2
96.96017	0.3
104.78008	0.1
107.01411	0.2
107.04991	0.3
108.02161	3.5
109.02952	1.5
111.04500	0.2
113.02455	0.2
121.02941	2.7
123.00857	1.2
123.04505	4.3
124.01653	0.2
124.04876	0.2
135.00867	2.7
136.07649	0.4
137.02429	100.0
138.02769	3.8
144.46976	0.1
145.02980	0.3
152.01141	3.3
155.03499	0.7
197.06104	0.2
215.07239	0.2
242.11954	0.4
243.06577	18.5
244.06900	1.2
281.06693	0.4
352.06030	0.2
405.11792	2.9
406.12210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.8
59.86831	0.3
61.98820	4.9
65.00303	1.0
65.03667	0.3
65.03954	3.1
67.01881	1.5
68.99798	0.8
69.44962	2.2
71.01377	1.9
73.02914	0.5
79.95734	0.3
80.02616	0.4
83.01354	0.3
85.02946	0.6
89.02415	1.6
91.01885	40.6
92.02211	1.1
93.03445	1.4
95.05033	0.4
96.96003	6.8
101.02425	1.1
101.06087	0.5
107.01390	0.5
107.05008	1.8
108.02168	3.2
109.02943	30.1
110.03282	1.2
113.02448	0.8
119.03484	0.5
119.05029	0.3
121.02892	1.5
123.00862	1.2
123.04483	0.6
133.02946	1.3
135.00868	100.0
136.01163	3.4
137.02422	5.8
138.03218	0.6
145.02974	0.8
147.04599	0.3
149.02382	1.4
149.55600	0.3
151.00331	0.6
153.01918	86.3
154.02255	3.2
161.02463	0.7
163.04085	0.3
165.00247	0.3
174.01686	0.3
175.03996	3.5
177.01897	2.8
181.06560	0.4
184.53125	0.3
189.01936	0.3
193.05174	0.3
195.02942	0.3
197.06154	1.0
199.07639	0.5
225.05666	1.0
241.00369	0.5
243.06570	12.9
244.06947	0.8
255.03021	0.4
259.19272	0.5
267.06766	0.9
297.06100	15.9
298.06680	1.1
317.01266	3.3
318.01938	0.4
326.14615	0.3
405.03088	0.7
405.12256	12.3
405.17206	1.1
405.25388	1.3
406.12415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22241	0.6
61.98825	100.0
67.48286	0.6
70.72264	1.9
70.72637	0.7
70.83072	0.6
103.74265	0.8
138.11066	0.6
139.55023	0.6
150.62738	0.6
157.65594	0.6
168.76183	0.6
398.25919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	5.3
61.98824	100.0
71.10733	2.1
75.82360	1.2
96.96037	1.2
131.26526	1.0
137.75320	1.0
172.65352	1.1
210.97409	1.5
345.13730	2.7
388.83182	1.2
405.51920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
61.98824	2.0
63.96232	41.0
69.95592	1.5
69.96001	3.7
72.99300	32.1
73.98313	7.6
74.99089	23.5
80.96474	0.9
87.00858	6.6
91.36962	1.0
91.99400	1.0
107.90007	1.0
117.97289	23.3
118.98074	1.5
120.99654	0.9
121.02939	2.3
123.04509	10.9
135.98340	100.0
136.99072	3.6
137.00645	35.5
138.01010	1.8
163.02226	1.6
191.68881	0.9
216.93031	0.9
243.03305	2.7
299.04480	1.5
405.08548	54.3
406.08823	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	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45321	0.5
51.20550	0.5
52.26842	0.5
53.02399	0.5
53.54659	0.4
59.01372	28.1
60.01725	0.5
61.98824	100.0
64.58949	0.5
70.30423	0.5
70.37434	1.6
71.01390	2.5
73.02937	0.8
78.91874	0.7
83.01381	0.5
85.02925	0.9
89.02451	2.8
91.01892	0.9
93.03492	1.2
95.04995	0.5
96.96004	2.6
98.20498	0.7
101.02451	1.5
101.06091	3.2
102.06434	0.5
107.01376	0.7
109.02979	0.8
113.02436	0.8
115.07645	2.1
116.07976	0.6
117.03456	0.7
117.21579	0.4
119.03502	1.4
123.00881	2.5
135.00874	3.0
137.02426	5.5
138.03241	2.0
143.07135	0.7
145.02916	2.6
150.03152	0.6
151.00378	1.3
153.01935	2.6
155.93605	0.6
158.12502	0.6
159.06741	0.7
161.04558	0.9
165.00134	1.3
179.05783	0.7
195.50421	0.5
243.06551	0.8
255.03003	0.8
257.04581	1.1
285.04025	0.7
290.69540	0.5
317.01205	10.5
404.16446	1.8
405.02936	2.1
405.12271	0.9
405.17474	2.0
405.24997	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.9
61.98825	100.0
64.19868	0.5
71.01382	2.5
71.63375	0.5
77.31339	0.5
79.95741	0.9
83.01393	0.6
85.02960	0.7
89.02431	1.5
93.03495	0.6
96.95998	2.8
99.00867	0.8
101.02451	2.1
108.93203	0.5
109.02930	0.5
113.02448	1.1
114.07784	0.6
120.99651	0.7
121.02965	0.7
136.04025	0.9
137.02475	1.9
145.02962	2.1
150.03230	0.7
157.52550	0.6
161.04617	1.7
165.05554	0.7
183.04500	2.8
242.02902	1.0
272.55310	1.0
289.06836	0.7
339.60699	0.5
345.19250	1.8
360.21048	0.6
405.15921	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	404.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54840	1.0
57.03440	2.6
58.02971	9.2
59.01374	60.5
60.01709	2.4
60.17894	1.1
61.98818	3.0
66.03479	1.2
70.02975	2.0
70.12008	4.2
71.01376	23.9
72.00894	1.3
72.99323	1.3
73.02946	3.5
74.02469	21.9
82.02959	2.4
83.01393	1.6
85.02938	8.4
85.04047	1.2
86.02487	7.6
86.06127	1.3
87.00870	2.8
87.05612	6.5
89.02446	12.3
90.00175	1.7
90.02757	1.0
95.01387	2.5
95.05022	1.7
96.95985	1.6
97.04076	3.5
99.00863	1.9
99.05648	16.0
101.02433	14.8
101.07199	1.8
102.05611	1.7
107.06099	1.2
109.02905	1.1
109.04073	2.3
111.05639	1.4
112.04025	2.2
113.02428	11.3
113.54976	1.4
116.01788	1.4
118.98125	1.3
119.03444	5.2
122.03731	4.6
123.05672	1.5
125.03506	1.2
125.92639	1.1
127.05125	3.5
128.03529	52.5
131.04588	1.9
135.05661	4.9
139.04001	1.3
139.07693	1.7
140.07977	2.5
141.06689	5.1
141.09238	1.8
143.03604	2.4
143.04607	65.9
144.05008	1.4
145.06230	2.9
146.04588	6.4
149.06136	2.1
150.06833	2.3
153.06696	3.9
155.01793	1.2
159.03004	3.2
160.00725	18.7
161.04549	22.6
164.08417	9.3
165.09192	12.3
166.09808	3.4
167.04594	4.8
167.08287	2.7
177.03259	5.4
179.04559	12.1
179.10721	1.5
180.07849	1.2
180.11053	1.2
181.06160	2.1
183.10225	13.4
185.05673	2.8
192.07663	1.9
193.12434	1.1
197.05727	2.6
210.08800	12.0
221.39308	1.1
224.13663	1.2
228.99373	1.1
241.14392	6.1
242.07596	1.4
242.14796	9.3
244.49335	1.1
254.07806	19.4
255.08084	1.3
272.08868	30.2
273.09317	2.1
288.06592	9.7
306.07620	100.0
307.07773	5.3
345.15417	4.8
404.15793	1.9
404.20078	7.4
405.17630	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.212
Annotation	17-phenoxy trinor Prostaglandin F2alpha
Peak:m/z	Relative Intensity
61.98821	2.0
68.99808	12.2
71.62079	0.9
80.02663	0.9
95.05022	3.3
97.02959	2.4
123.04507	4.6
151.22879	0.7
191.01451	0.7
209.19019	0.8
238.04672	0.9
246.97006	0.7
255.23282	0.9
270.59555	0.7
287.20032	0.7
289.21692	4.7
303.23251	1.0
313.21777	1.4
331.22800	2.2
333.20593	2.2
341.21158	1.2
357.20596	1.0
359.22241	3.3
375.21426	1.5
385.19824	1.2
401.19565	4.4
402.20132	1.5
403.21198	100.0
404.21512	13.4
404.26587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
61.98824	72.2
66.71453	22.4
71.62444	27.9
77.52654	22.8
87.00864	44.4
89.76846	24.4
99.42039	25.9
121.02937	64.4
133.02904	23.9
146.58595	24.9
161.02377	61.0
164.70935	23.7
247.82544	21.7
319.46164	24.2
330.05228	36.4
388.18826	35.9
403.21027	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	93.0
61.98836	83.8
69.76166	36.4
69.76571	59.7
79.95725	47.9
96.96007	100.0
115.03645	18.0
137.82031	15.6
173.91200	15.0
198.03325	17.7
214.32652	16.1
303.41058	15.5
325.35968	16.0
403.17648	49.7
403.28571	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.104
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11250	0.3
61.98827	100.0
69.38128	0.3
70.72262	0.4
70.72598	0.6
78.98910	0.3
96.44364	0.3
111.53082	0.3
185.04900	0.3
185.62764	0.3
211.43434	0.3
223.35945	0.3
241.12837	0.3
242.51028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61603	0.2
59.01379	2.5
61.98826	100.0
62.99228	0.3
63.96234	0.7
70.14427	1.1
71.01374	1.5
72.99294	0.6
74.99093	0.3
85.02959	0.6
89.02419	1.6
96.95975	0.6
98.19863	0.3
101.02432	0.7
113.02441	0.4
119.03506	0.6
119.05007	0.3
135.04498	2.8
135.98367	1.4
137.00705	0.6
165.05537	0.5
165.53802	0.2
171.69992	0.2
172.10770	0.3
177.01907	2.5
192.04283	1.0
207.06671	0.4
210.87767	0.2
275.04218	0.3
291.40155	0.3
297.09900	0.5
404.10733	0.7
404.16388	0.6
405.08612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05755	0.2
55.01869	1.3
57.03443	3.6
58.00592	2.0
59.01373	45.1
60.01715	0.8
69.03454	0.5
70.05497	0.9
71.01375	31.0
72.01719	0.4
72.04550	0.2
72.99306	1.8
73.02935	3.9
74.02453	0.4
75.00883	0.2
81.03445	0.6
83.01380	1.9
83.05042	0.3
84.02168	0.3
85.02945	8.2
86.02480	0.2
86.03280	0.2
87.00872	1.2
89.02435	24.3
90.02766	0.5
93.03424	0.2
93.17871	0.2
95.01389	2.2
95.05010	0.4
96.96066	0.2
97.02949	1.1
97.06585	0.8
99.00872	1.1
99.05627	0.3
99.08144	0.4
101.02434	17.8
102.02774	0.3
104.02957	0.2
109.06591	0.9
110.03738	0.4
111.04543	0.4
113.02443	10.5
113.06073	0.4
113.99344	0.2
114.02763	0.4
114.13143	0.2
119.02624	0.4
119.03486	8.7
119.08619	0.2
120.03812	0.2
121.06586	0.4
123.04531	0.3
123.08160	1.5
124.05289	2.8
125.06081	0.6
128.03534	1.0
131.03487	0.9
135.08141	0.6
136.05301	1.8
137.06075	0.5
137.09714	0.7
137.85297	0.2
138.06880	0.5
139.07639	17.4
140.07965	0.9
141.09280	0.3
143.03488	1.7
143.04631	1.1
147.08162	0.2
149.04463	0.9
149.09694	3.1
151.07626	5.8
151.11319	0.4
153.34212	0.2
159.02992	1.3
160.00711	0.4
161.04546	7.7
161.09706	2.1
162.04942	0.3
163.07617	0.4
163.11276	0.5
164.08388	0.5
165.09186	0.2
167.10732	0.5
169.08710	1.0
175.11273	0.6
177.09256	1.0
179.05692	1.8
179.10741	6.9
180.11032	0.4
191.10728	0.3
193.12276	2.6
197.11787	0.8
203.10809	0.4
205.12312	1.1
210.08807	0.2
211.13428	0.7
221.11826	1.0
223.13358	6.5
224.13696	0.5
241.14417	100.0
242.14752	7.8
254.07794	0.4
268.80869	0.2
272.08780	0.5
285.13434	0.4
306.07571	2.4
354.91858	0.2
380.75977	0.2
385.26334	0.2
403.19690	14.6
404.20099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03438	8.6
58.00601	2.6
59.01372	58.9
60.01717	0.8
67.05862	0.5
69.50201	3.9
71.01374	34.4
71.05018	1.3
72.99287	1.5
73.02946	3.6
77.42048	0.5
81.03460	0.9
83.01383	2.5
83.05009	0.8
85.02936	7.9
87.00870	1.7
89.02434	42.3
90.02747	1.0
95.01386	3.7
95.05012	1.4
97.02924	1.9
97.06544	0.8
99.00860	1.1
99.04498	1.1
99.05624	0.7
99.08174	0.8
101.01759	1.1
101.02427	22.8
109.06570	1.4
111.04517	0.8
113.02435	14.8
113.03226	0.8
119.03490	23.5
123.04559	1.2
123.08156	6.5
124.04472	0.9
124.05283	7.8
125.02446	0.6
128.03526	0.7
131.03470	2.4
136.05296	3.4
137.06149	0.7
139.07631	45.3
140.07971	1.9
141.09166	0.8
143.03481	3.0
143.04620	1.5
143.10762	0.9
149.04558	2.5
149.09683	1.0
151.07628	16.2
151.11256	2.2
152.08038	0.5
153.09174	1.8
161.04535	5.4
161.09746	2.9
163.07608	1.9
163.11279	3.7
164.08385	0.9
165.09120	1.3
169.08652	2.2
175.07648	0.7
177.09091	0.6
179.05597	8.5
179.10751	16.6
180.11069	1.2
187.11200	1.1
193.12309	10.2
203.10703	3.6
205.12308	8.1
211.13358	3.4
221.11772	4.0
223.13353	13.6
223.15561	0.8
241.14409	100.0
242.14740	7.6
306.07721	1.7
347.68143	0.6
356.17667	0.5
374.63007	0.5
403.19653	50.6
404.20044	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	403.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03444	9.0
58.00583	1.7
59.01375	63.4
60.01701	0.8
61.98814	0.4
66.57211	0.4
69.49490	2.2
71.01376	40.3
71.05025	1.4
72.01730	0.4
72.99284	2.1
73.02940	3.4
74.02470	0.7
81.03458	1.8
83.01382	2.2
83.05031	0.9
84.02168	0.5
85.02950	9.0
86.02487	0.5
87.00852	1.8
89.02436	44.8
90.02785	0.7
95.01385	2.9
95.04994	0.9
97.02934	1.8
97.06587	0.7
98.19921	0.8
99.00872	1.3
99.04514	1.2
99.05651	0.9
99.08146	0.7
101.02435	24.1
102.02776	0.6
109.02965	0.4
109.06564	2.0
111.04517	0.9
113.02441	15.9
117.00763	0.4
119.03493	21.2
120.03837	0.6
123.04533	1.8
123.08157	6.6
124.05297	8.9
124.06148	0.8
125.06106	0.4
128.03525	1.6
131.03499	2.0
135.08160	0.9
136.05293	2.9
137.06075	0.5
137.09721	0.8
138.06831	0.5
139.07639	44.5
140.07976	1.7
141.09235	1.2
143.03491	3.8
143.04617	2.2
143.10786	1.5
148.66077	0.4
149.04549	1.6
149.09717	1.1
150.60690	0.4
151.07629	17.6
151.11230	2.3
152.08011	0.9
153.09195	2.3
159.02937	0.6
160.00688	0.6
161.04532	5.5
161.09697	2.3
163.07658	2.0
163.11290	4.1
164.08392	0.9
165.09201	1.8
169.08690	2.4
175.07668	0.7
175.11224	1.1
177.09184	0.9
179.05632	8.7
179.10760	17.0
180.11115	0.8
193.12305	10.7
194.12721	0.7
195.13800	0.4
203.10780	2.9
205.12289	7.8
206.12677	0.6
211.13324	3.6
212.13771	0.5
221.11752	3.1
223.13364	15.1
224.13745	0.9
241.14418	100.0
242.14780	6.7
253.73021	0.4
254.07701	0.5
272.08920	1.0
306.07703	3.4
403.19669	49.8
404.20059	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1604
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01872	0.6
57.03434	1.4
58.00577	0.7
59.01376	61.4
61.98832	4.5
69.03444	1.0
71.01378	15.5
71.41783	0.8
72.99304	1.4
73.02947	2.9
77.67630	0.6
79.82420	0.5
81.03464	1.1
83.01374	2.4
85.02934	5.9
87.00878	2.3
89.02439	8.6
93.03445	0.6
95.01395	1.3
96.96013	4.4
97.02969	0.9
99.00867	1.4
101.02437	11.0
106.97543	0.6
107.05042	0.8
109.02938	0.9
109.06596	1.5
111.04519	0.8
113.02437	6.6
115.00306	0.8
119.03493	3.1
119.05046	1.2
121.06564	2.8
123.04501	1.0
125.02377	1.3
131.03476	2.6
135.04514	0.8
137.02420	0.9
143.03476	0.8
145.06551	3.5
159.02968	1.2
161.04553	3.0
161.09715	2.6
163.07652	4.9
165.05560	0.8
167.03459	0.9
179.03491	0.6
179.05569	1.0
179.10748	1.7
180.07864	1.0
181.08742	3.0
223.09737	5.9
291.32986	0.6
403.16061	100.0
404.16367	11.4
404.21225	1.0
414.91199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1605
Annotation	Glu-Ala-Trp
Peak:m/z	Relative Intensity
55.01870	0.6
57.03442	0.7
58.00563	0.5
59.01377	49.6
60.01706	0.8
61.98830	2.1
69.03441	1.0
69.83861	2.3
70.19172	0.4
71.01379	14.3
72.99308	0.8
73.02942	4.0
74.45170	0.4
81.03453	0.7
81.31882	0.4
83.01375	1.2
85.02948	5.4
87.00877	1.4
89.02430	6.9
89.59779	0.4
95.01393	1.4
97.02940	0.6
99.00866	1.4
101.02433	9.0
102.13306	0.4
107.05016	0.9
109.02310	0.4
109.02956	2.9
109.06603	1.2
113.02443	5.8
119.03474	1.9
119.05003	0.7
121.06609	1.7
125.02407	1.0
125.10597	0.4
131.03487	2.4
145.06595	2.8
159.03000	0.7
161.04568	3.0
161.09692	1.4
163.07654	3.2
179.10786	1.0
181.08717	0.6
205.61476	0.4
221.06693	1.0
223.09763	0.6
241.14511	0.4
242.97475	0.5
333.09067	0.4
399.36145	0.5
403.16046	100.0
404.16391	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	403.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03447	1.7
58.00590	0.9
59.01376	71.2
59.71648	0.6
61.98827	2.7
71.01379	17.9
71.07214	1.4
72.99303	1.8
73.02956	2.4
75.79630	0.7
80.65927	0.6
83.01388	3.3
83.04983	0.8
85.02946	14.9
89.02436	14.4
93.03457	2.8
95.01396	2.4
96.96010	1.1
99.00867	1.0
101.02434	10.9
109.02928	1.4
111.00890	2.1
113.02439	8.0
119.03487	5.9
121.02886	0.8
123.00862	7.2
125.02460	1.2
127.00391	1.6
131.03467	0.7
136.98816	1.0
137.02429	8.5
138.03252	3.4
139.00375	4.8
149.09709	3.8
151.00391	0.8
153.01895	0.9
153.05620	1.3
161.02499	0.8
161.04588	1.9
161.09720	5.1
163.07639	2.5
165.01924	6.5
167.03508	0.6
179.03482	2.0
179.10767	5.1
180.04280	2.7
181.04823	0.8
181.08850	1.6
193.01404	12.0
194.01663	1.0
195.06625	1.2
195.19104	0.7
207.02980	1.6
208.03748	21.5
209.04088	1.3
213.50475	0.7
223.06084	53.8
224.06479	3.5
241.10806	0.7
242.84045	0.7
282.80396	0.7
325.44189	0.6
338.16757	0.7
358.84467	0.6
374.32336	0.7
403.16180	100.0
404.12302	0.9
404.16525	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	403.1604
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
51.63556	1.0
57.03429	3.4
57.47412	1.1
58.00593	2.9
59.01377	94.8
61.98826	1.0
69.03462	1.2
69.60679	2.9
69.61095	5.0
71.01376	49.0
72.99294	3.4
73.02929	4.1
83.01368	2.1
85.02948	9.6
87.00888	2.8
89.02438	57.9
91.34354	1.2
95.01363	3.2
96.95983	1.4
99.00890	2.2
99.04530	9.9
101.02440	24.0
101.06052	1.2
109.37236	1.1
111.04513	1.8
113.02448	19.9
119.03489	21.7
124.05302	3.2
125.02367	1.1
128.04140	1.2
129.01929	3.2
131.03479	2.9
133.10162	1.7
135.11772	4.9
143.03479	3.4
149.04564	1.9
161.04530	6.1
161.09677	2.7
163.07758	1.5
179.05598	8.6
179.10762	42.4
180.11082	1.5
181.08635	2.8
207.79520	1.4
223.09735	100.0
224.10069	6.6
241.10741	1.3
294.60068	1.2
315.09818	4.5
317.19635	1.8
341.11172	1.5
403.15543	5.8
403.19116	8.0
403.24118	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	403.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.4
58.00593	1.4
59.01376	19.8
61.98812	0.3
69.03439	0.5
69.66039	1.5
69.66446	0.6
71.01376	15.9
72.99304	1.1
73.02944	1.2
75.00880	0.6
81.03449	0.5
83.01394	2.0
85.02943	1.2
87.04483	1.9
89.02435	3.6
95.01402	0.4
95.05006	0.8
97.02953	0.9
98.20585	0.6
99.00873	0.9
101.02440	6.9
101.06071	59.3
102.06396	1.7
113.02424	1.9
113.06087	1.6
115.07638	100.0
116.07975	3.1
119.03507	0.6
121.02960	0.4
123.00836	0.5
125.02421	1.0
137.02440	0.4
139.00400	0.4
143.03532	0.4
143.07126	11.5
144.07457	0.4
155.07062	0.6
157.05052	0.6
161.04590	0.8
173.08150	1.4
173.93546	0.3
191.09242	0.4
197.08244	0.9
203.09216	3.8
245.10158	0.5
298.39236	0.3
328.09830	0.3
343.11960	1.0
357.09689	0.3
403.16049	60.4
404.16388	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	403.1243
Annotation	Gentiascabraside A
Peak:m/z	Relative Intensity
55.01866	0.9
57.03441	1.0
57.57978	0.9
58.00600	1.2
59.01376	59.4
61.98826	10.2
64.88013	0.8
68.99793	1.3
69.03443	1.1
70.80344	1.6
71.01376	25.6
72.99284	2.3
73.02937	3.6
75.00848	1.4
78.95891	2.4
80.79962	0.9
83.01375	2.7
85.02943	10.3
87.00868	2.0
89.02438	15.5
93.03447	36.3
94.03764	1.2
95.01357	2.6
95.05059	1.2
96.96014	5.3
99.00889	2.0
101.02427	16.0
108.02132	1.6
109.02943	1.4
113.02448	8.5
119.03481	4.7
119.04964	1.1
121.02937	1.9
121.05031	5.2
121.06556	1.2
123.00843	0.8
123.04504	1.2
133.02940	1.9
135.02966	2.2
135.04489	0.9
136.01640	3.9
137.02431	100.0
138.02774	4.1
141.05656	0.9
143.08662	0.9
145.06569	1.1
149.02383	0.9
149.09682	3.6
151.03969	1.8
153.01938	1.0
161.02431	7.8
161.04539	3.6
161.09674	6.2
163.03958	1.4
163.07545	1.4
167.03519	0.9
173.04562	1.1
177.01866	1.8
178.02333	1.3
179.03471	12.6
179.10779	5.0
179.92531	0.8
181.08702	1.2
193.01451	1.7
208.03743	1.3
219.26057	0.9
223.06200	4.3
223.09702	3.4
225.39598	1.0
239.05612	6.2
281.06631	3.7
337.06091	1.0
341.08661	2.9
403.12238	70.5
403.16162	50.7
404.11899	7.8
404.16541	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	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03429	2.1
58.00586	1.1
59.01087	1.4
59.01372	23.5
59.04011	0.6
61.98825	3.4
69.03436	0.9
69.46741	3.6
69.47146	1.7
71.01381	8.3
71.05012	2.3
72.99303	1.5
73.02946	3.5
74.99094	0.8
75.00866	1.0
80.05067	1.3
83.01386	1.3
83.05015	1.3
85.02927	3.7
87.00869	1.9
87.04494	4.0
89.02444	7.0
95.04987	1.0
96.96014	1.4
98.20679	1.4
99.00857	1.2
99.04510	0.9
99.93945	0.9
101.02427	4.3
101.06071	1.1
104.05057	1.4
109.73139	0.7
111.08135	3.5
113.02433	2.4
113.09727	1.2
115.07616	0.8
119.03506	2.6
120.04610	0.8
121.02961	0.9
122.06086	4.1
123.08150	1.9
124.07693	1.0
125.02451	1.6
125.09680	1.8
130.02972	1.2
132.04544	12.0
134.03735	1.9
134.06056	0.9
137.02412	3.4
141.09195	2.0
146.02405	0.9
147.03207	2.3
148.03979	1.3
149.02386	1.7
150.03232	0.9
150.05579	2.6
151.00409	0.9
151.07658	1.8
155.10712	1.0
158.02480	7.1
160.04048	7.1
161.04555	1.2
162.05574	2.8
165.00053	0.9
168.00609	1.0
169.08725	1.6
172.05296	0.9
174.05571	1.3
175.02762	1.6
176.03494	8.8
176.07123	1.2
177.03917	1.3
178.02646	1.5
179.05615	1.2
184.07675	1.7
185.08226	1.3
187.07634	4.8
187.09738	15.4
188.10036	1.1
190.05083	16.2
191.05586	2.0
192.06671	0.8
193.05042	2.4
196.11432	1.0
197.11775	1.8
198.04272	1.5
199.09834	3.8
204.02988	2.5
206.04446	0.9
211.08832	0.8
211.12503	2.5
212.05789	1.1
212.10744	2.3
215.07118	0.8
215.11790	3.7
217.10777	25.5
218.11082	1.8
220.02475	0.9
223.04955	1.3
223.08772	2.7
223.13330	2.6
224.09494	7.4
225.08134	1.7
225.10002	0.9
226.07443	2.5
227.08228	3.1
230.08493	0.9
231.06621	2.1
231.10283	1.7
234.04077	2.7
235.04803	1.0
237.10411	1.4
239.04295	0.8
239.08229	2.2
239.11884	18.3
240.04240	1.3
240.10164	4.0
240.12379	1.4
241.05005	12.1
241.09763	5.7
243.11327	1.0
250.07382	0.8
253.06149	15.6
254.06757	3.2
255.07765	2.6
255.11487	4.4
256.08337	1.1
257.08170	1.5
265.09726	2.0
266.06839	1.0
267.07788	4.9
268.08459	8.8
269.09116	1.5
271.07086	1.0
275.09253	1.1
281.09299	3.4
283.10840	40.3
284.11124	3.4
287.10345	1.3
287.18539	1.5
294.06403	1.3
299.10117	1.3
309.08731	13.4
315.09769	1.2
315.13348	1.9
317.01172	8.6
317.19827	1.1
327.09818	41.0
328.09937	4.8
341.11142	4.2
343.21204	1.0
353.07626	1.6
359.12485	5.1
360.13004	0.8
371.08768	28.6
371.13339	1.7
372.09061	2.0
385.22507	1.5
403.11401	100.0
404.04330	0.9
404.06458	1.0
404.11719	12.3
404.23767	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25953	0.9
57.03428	2.7
59.01136	1.2
59.01375	14.8
67.67284	1.0
69.87450	1.8
69.87860	4.7
71.01381	4.6
71.05010	1.2
72.99300	1.3
73.02943	14.4
75.00839	4.8
80.05067	1.2
85.02912	1.7
87.00871	1.3
87.04513	0.9
89.02431	2.5
96.40349	0.9
101.02430	3.3
104.05058	1.7
113.02406	2.2
121.06583	4.2
122.06112	6.0
123.08125	2.0
124.07677	1.4
125.02383	1.5
132.04521	12.5
134.03824	1.2
137.02451	1.3
146.06110	1.1
147.03275	1.5
148.03998	1.2
149.06082	2.8
150.05598	2.3
158.02452	5.7
160.04034	9.5
161.04636	1.7
161.09694	1.8
162.05562	1.8
174.05595	1.2
176.03520	10.2
176.07115	4.8
179.10718	2.1
187.07631	1.7
190.05052	12.5
192.06590	1.5
193.05045	1.3
197.11885	7.2
198.04312	1.2
204.03082	1.7
209.07080	1.8
211.12323	3.0
212.05888	3.1
212.10757	3.0
213.06790	1.1
215.11833	2.4
220.02559	1.8
223.09680	2.8
224.09497	12.0
225.06386	1.7
226.07468	2.3
227.08247	5.7
234.04027	1.4
235.04889	1.0
237.06076	2.3
238.08690	2.2
239.08241	2.3
239.11865	24.4
240.10410	6.3
240.12343	1.2
241.10526	13.5
250.07419	1.7
252.05251	1.1
253.06158	17.4
253.09770	1.9
254.06808	4.2
255.07724	4.0
255.11392	7.7
265.09784	3.4
266.07840	1.2
267.07764	7.6
268.08502	9.7
269.09088	1.4
271.07303	2.0
281.09311	7.9
282.09668	1.4
283.10837	52.0
284.11359	6.1
287.10394	1.7
309.08728	20.6
310.09137	2.7
315.09882	1.6
315.13290	1.5
317.19617	1.7
327.09821	45.5
328.10101	4.2
341.11310	3.6
353.07855	3.0
359.12186	4.3
371.08792	53.3
372.09006	5.8
385.10364	1.3
387.98846	1.1
403.11407	100.0
403.15729	4.9
403.23087	8.6
404.11685	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	403.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73493	0.5
55.01846	0.6
57.03440	1.6
59.01372	13.3
61.98824	7.2
63.02393	3.5
65.00316	11.3
71.01367	6.7
71.49227	0.5
71.62965	1.2
72.97529	2.1
72.99285	1.0
73.02929	2.2
81.03448	0.9
83.01387	7.6
85.02944	2.8
86.42472	0.5
87.00867	0.8
89.02427	2.9
93.03418	0.8
94.16863	0.6
95.01384	0.6
97.02930	0.5
98.05119	0.7
99.00831	0.8
101.02436	4.9
101.06064	2.6
103.36855	0.5
107.01376	17.3
109.02961	1.0
113.02422	2.2
115.07639	4.0
117.03466	1.1
119.03429	0.7
120.99632	1.7
121.02943	1.4
122.03707	0.6
123.04510	0.9
125.02425	8.3
133.02945	1.6
135.04436	0.7
137.00687	0.7
137.02402	4.9
138.03227	0.7
145.02911	5.5
149.02440	1.1
150.03220	3.1
151.00352	38.0
152.00732	1.1
161.02362	0.9
163.03970	0.7
163.99336	1.0
165.00136	19.1
165.01794	1.8
165.05525	0.7
166.00395	0.8
177.00296	0.8
177.01883	1.1
177.05528	0.7
178.02679	0.7
179.01691	3.5
179.03435	1.9
180.04237	1.2
181.12326	1.3
193.04994	1.7
194.05774	1.3
195.06592	1.3
199.13391	1.0
204.99673	3.7
209.08177	1.7
225.05623	1.2
231.01158	0.8
232.99097	4.7
233.99588	0.7
241.08717	2.3
255.03052	6.4
256.03656	2.3
257.04480	4.7
259.05893	0.8
273.02255	1.6
276.98022	2.5
277.98157	0.7
283.02420	6.0
284.03253	4.5
285.03989	21.2
286.04419	1.7
287.05579	2.9
288.06213	1.1
297.02124	0.8
314.99609	4.1
315.03281	2.5
316.00253	2.6
317.01193	100.0
317.19919	1.1
318.01501	8.8
331.02847	8.2
332.03021	1.4
341.01196	2.5
343.17569	2.1
359.02213	3.0
361.18600	5.0
367.14151	3.4
385.12881	1.3
403.01227	2.0
403.15207	1.7
403.19650	16.3
403.24023	1.6
404.20184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45648	0.5
54.65018	0.5
59.01390	3.8
60.52186	0.5
61.98823	0.8
70.77025	1.5
71.01383	0.6
73.21680	0.5
83.58919	0.5
85.06572	1.9
89.02444	1.3
99.08145	1.9
101.02445	1.1
103.07674	0.6
113.06072	4.1
115.19852	0.5
121.02937	6.5
131.07123	7.8
141.12846	1.5
189.35944	0.5
218.21457	0.5
221.19060	0.6
239.20070	0.5
241.21750	1.1
257.21198	1.9
260.09106	0.5
269.21219	3.5
273.20667	2.3
285.20718	1.4
287.22253	100.0
288.22595	8.2
313.07138	1.8
341.10837	1.4
357.05981	0.6
401.08954	1.9
401.29025	38.3
402.29431	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3053
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
59.01376	1.7
69.66003	1.5
71.01385	0.3
79.05181	0.2
117.03452	0.3
119.04974	0.3
121.02949	0.9
145.02943	1.3
159.33215	0.3
178.06732	0.3
185.55441	0.3
192.60361	0.3
310.31833	0.3
313.03305	0.3
313.07248	0.3
341.10858	0.3
401.30524	100.0
402.30862	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	402.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21524	3.2
54.28011	2.6
59.01370	6.4
61.98822	100.0
61.99142	4.9
69.75671	5.2
69.76085	14.5
74.48601	3.0
85.71604	2.8
86.57833	4.0
98.19935	4.3
163.11247	4.2
217.47047	3.3
263.51352	2.9
339.23325	6.4
403.25046	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76887	0.5
57.03452	0.7
59.01374	100.0
60.01719	1.1
61.98827	0.9
71.01382	9.4
71.07646	1.3
72.99294	1.1
73.02957	1.6
75.00877	0.8
77.56022	0.5
83.01388	1.1
85.02932	3.0
87.00893	0.7
89.02431	9.3
93.03488	0.7
95.01447	0.7
95.35476	0.5
97.10748	0.5
99.00886	1.0
101.02450	5.8
104.70785	0.5
108.02139	1.2
109.02944	2.1
111.00869	0.6
113.02435	3.6
115.00394	1.2
119.03522	3.6
120.55949	0.6
121.02961	2.0
123.04520	4.5
125.02382	0.6
131.03517	1.5
137.02498	0.9
137.30666	0.5
139.00374	1.6
146.03804	0.8
152.01198	0.6
153.01967	1.6
161.04559	2.3
161.09727	0.9
179.05663	2.3
191.05638	1.0
225.11368	1.0
236.50127	0.6
237.22705	0.6
269.10229	3.1
341.10867	1.1
357.17953	1.7
397.69504	0.7
401.10971	2.4
401.14630	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01699	0.8
61.98824	4.6
70.47248	1.2
71.01372	12.8
72.97522	0.8
72.99318	1.6
78.95921	0.4
83.01372	0.5
85.02944	1.9
85.20935	0.4
87.00886	1.4
89.02434	13.4
93.03494	0.5
95.01394	0.5
96.95991	1.1
101.02429	5.8
101.02977	0.5
108.02179	2.1
109.02969	1.8
113.02432	3.9
115.00343	2.4
119.03493	5.6
121.02948	2.4
123.04511	7.9
127.00398	1.4
131.03502	0.6
133.01427	1.5
137.02446	0.6
143.03526	1.1
149.04576	0.9
152.01169	1.8
161.04547	1.6
161.09721	0.9
177.01820	0.5
179.05634	2.4
179.07031	1.0
191.05661	1.2
221.11797	0.6
276.39627	0.5
285.09848	0.6
322.94168	0.5
341.11050	2.0
341.15967	1.2
401.10321	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76887	0.5
57.03452	0.7
59.01374	100.0
60.01719	1.1
61.98827	0.9
71.01382	9.4
71.07646	1.3
72.99294	1.1
73.02957	1.6
75.00877	0.8
77.56022	0.5
83.01388	1.1
85.02932	3.0
87.00893	0.7
89.02431	9.3
93.03488	0.7
95.01447	0.7
95.35476	0.5
97.10748	0.5
99.00886	1.0
101.02450	5.8
104.70785	0.5
108.02139	1.2
109.02944	2.1
111.00869	0.6
113.02435	3.6
115.00394	1.2
119.03522	3.6
120.55949	0.6
121.02961	2.0
123.04520	4.5
125.02382	0.6
131.03517	1.5
137.02498	0.9
137.30666	0.5
139.00374	1.6
146.03804	0.8
152.01198	0.6
153.01967	1.6
161.04559	2.3
161.09727	0.9
179.05663	2.3
191.05638	1.0
225.11368	1.0
236.50127	0.6
237.22705	0.6
269.10229	3.1
341.10867	1.1
357.17953	1.7
397.69504	0.7
401.10971	2.4
401.14630	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99379	0.4
51.44107	0.4
52.99107	0.4
55.01862	0.4
59.01373	100.0
60.01705	1.1
60.58303	0.4
69.53079	0.4
69.75609	2.4
71.01373	10.8
73.02938	2.8
73.35619	0.4
75.00867	0.4
83.01396	1.2
84.05413	0.4
85.02943	4.2
87.00880	0.4
89.02445	1.2
93.03451	3.3
95.01404	1.1
99.00873	1.4
101.02431	5.9
112.28728	0.4
113.02432	4.9
117.03450	4.8
119.05027	1.5
124.41584	0.4
125.02482	0.5
143.03485	0.9
145.02940	16.4
146.03339	1.3
149.06091	1.8
159.02982	1.8
161.04536	15.6
162.05025	0.3
163.03990	1.1
164.08401	24.0
165.08765	1.2
179.10764	12.6
180.11128	0.7
188.69096	0.4
307.08145	2.5
341.16357	0.5
357.08173	0.5
401.12494	5.6
401.22006	0.6
402.13123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01711	1.1
61.98814	0.7
62.21230	0.5
67.63367	0.5
69.62029	2.5
71.01382	3.9
73.02940	1.2
85.02952	2.3
89.02438	0.7
93.03473	2.3
98.20641	0.6
99.00888	0.6
101.02425	2.4
107.11678	0.5
108.02149	5.4
109.02987	0.6
113.02439	1.6
117.03448	12.0
119.05020	4.3
121.02985	0.7
125.02470	0.7
133.06656	0.6
137.02464	2.1
145.02937	56.8
146.03300	2.2
150.03229	3.5
151.03918	0.7
161.04562	2.4
163.04016	4.8
164.08427	1.5
165.01904	0.8
187.03966	1.0
212.89957	0.5
289.07178	1.3
299.63312	0.7
307.08206	18.6
308.08737	0.9
341.11026	0.9
341.15979	1.3
401.12402	6.6
402.12598	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	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58239	0.3
55.01871	0.5
57.03461	0.5
59.01375	100.0
60.01708	1.1
61.98822	0.4
64.91723	0.3
66.15812	0.3
68.84454	0.4
71.01373	5.7
71.63583	0.7
72.99261	0.3
73.02937	2.5
83.01395	0.8
85.02940	3.0
89.02460	0.7
93.03478	1.3
95.01391	0.4
99.00856	0.6
101.02439	4.9
113.02418	2.7
117.03457	7.5
119.05025	3.5
121.02925	1.7
143.03595	0.4
145.02940	31.3
146.03279	1.7
159.03033	0.4
161.04547	5.4
161.05821	0.5
163.03987	2.3
187.04106	0.4
209.45389	0.4
210.84882	0.3
256.08740	0.4
307.08188	9.9
308.08609	1.2
327.21765	0.8
341.11554	0.8
341.16171	4.7
342.16425	0.7
401.12561	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	401.1811
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
52.76704	0.7
53.24868	0.7
54.09067	0.8
55.01884	1.9
57.03428	3.3
58.00589	1.4
59.01375	96.9
61.94335	0.8
69.46703	1.3
69.47108	4.6
70.42812	0.8
71.01376	29.8
72.99292	2.1
73.02935	7.3
81.51962	0.8
83.01368	4.5
85.02943	10.2
87.00899	1.9
89.02437	22.4
95.01373	2.4
96.95885	0.9
99.00859	2.4
99.04524	0.7
101.02437	20.7
113.02443	10.7
119.03488	7.0
121.02944	1.8
123.04510	1.0
123.08134	2.8
125.02406	2.2
131.03624	0.7
131.04868	0.8
135.04532	2.5
136.05292	6.5
137.02550	0.8
143.03499	1.9
151.00368	0.9
151.11247	0.8
159.02954	1.3
161.04535	4.0
161.09705	1.5
163.08397	0.8
167.03497	1.9
177.05544	2.6
177.12775	5.2
179.05606	1.9
191.05664	1.3
195.06602	34.7
195.13870	3.1
196.06978	1.8
221.11874	4.0
223.08170	2.4
339.35815	0.9
401.18127	100.0
402.18463	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	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95702	0.5
55.90854	0.4
57.03407	0.4
58.00584	1.3
59.01374	100.0
60.01703	1.0
67.83968	0.5
69.45690	3.6
71.01376	18.6
72.99322	1.0
73.02956	0.6
75.00856	2.6
77.84700	0.4
85.02940	2.4
87.00883	1.2
88.15062	0.4
89.02435	32.7
90.02783	0.9
95.01414	1.4
101.02429	9.0
113.02440	8.5
119.03492	10.8
125.02394	0.4
131.03510	1.7
142.99870	0.6
143.03484	2.6
145.02954	1.1
149.04535	0.6
161.04536	1.8
161.09744	0.8
165.88489	0.5
173.00877	0.6
179.05611	9.8
209.11801	0.5
296.48349	0.5
341.10858	0.6
401.17328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62993	0.4
59.01373	100.0
60.01696	0.9
69.48123	3.2
69.48537	0.8
71.01384	5.5
72.99303	0.5
73.02940	1.0
73.59601	0.5
83.01397	0.6
85.02970	1.7
87.00852	0.6
87.04526	0.6
89.02439	7.4
95.01366	0.7
95.17480	0.4
101.02423	3.5
101.95789	0.5
108.02161	4.0
113.02470	2.1
119.03466	3.9
129.40082	0.6
137.02458	0.6
145.02925	0.9
150.03282	0.7
152.02370	0.5
165.05655	0.8
175.04027	0.5
177.05527	0.8
179.05687	1.1
284.87405	0.5
341.10995	1.7
390.04678	0.6
401.12271	0.7
401.21964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1234
Annotation	4,2'-Dihydroxychalcone 4-glucoside
Peak:m/z	Relative Intensity
56.10537	0.2
57.03453	0.4
59.01375	24.2
61.98833	0.6
71.01380	2.9
72.99299	1.3
73.02946	0.7
75.00875	0.3
79.14874	0.3
83.01389	0.5
85.02957	1.5
87.00873	0.3
89.02432	1.0
91.04005	0.5
93.03451	3.5
97.41290	0.3
99.00842	0.4
101.02424	2.0
113.02426	1.7
117.03461	22.5
118.03777	0.6
119.05016	10.6
120.05280	0.4
121.02947	1.7
131.05014	0.3
135.02991	0.8
137.02415	0.8
143.03477	0.3
145.02942	100.0
146.03278	5.0
150.13948	0.3
159.03072	0.3
159.04445	0.6
161.04533	0.9
163.03986	7.9
171.10219	0.4
177.01884	1.1
178.02724	1.0
179.05563	0.3
187.04010	1.7
192.04276	1.4
193.05005	1.1
209.08032	0.4
281.06622	0.8
307.08191	30.9
308.08560	1.8
327.21790	1.2
341.10779	0.8
341.16040	0.6
401.12369	11.1
402.12656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34728	0.2
59.01376	40.5
60.01711	0.5
61.98812	0.4
68.48761	0.3
71.01373	2.2
71.63090	0.3
73.02944	0.6
83.01373	0.3
85.02943	1.5
87.00906	0.3
89.02440	0.5
89.03928	0.3
93.03454	3.0
99.00901	0.4
99.64880	0.3
101.02438	1.3
113.02467	1.3
117.03461	21.4
118.03810	0.7
119.05024	9.4
120.05412	0.4
121.02943	0.4
125.02436	0.3
131.05003	0.3
137.02426	0.4
145.02948	100.0
146.03296	4.1
150.03249	0.7
150.21628	0.3
159.04503	0.6
160.12645	0.2
161.04504	0.8
163.04005	8.0
164.04362	0.3
165.01987	0.4
187.03947	1.4
188.80222	0.3
289.07233	0.4
307.08200	31.9
308.08493	3.0
341.10992	0.4
341.15970	0.7
401.12390	9.8
401.20734	0.4
402.12817	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.6
55.50023	1.0
55.86790	1.2
57.03449	6.6
57.97902	1.0
59.01375	43.2
69.03448	1.9
69.53915	3.3
69.54327	4.0
71.01376	93.1
72.99300	2.5
73.02939	41.6
75.00854	2.6
76.69109	1.0
83.01386	14.8
85.02944	44.3
87.00866	6.0
87.61803	1.0
89.02439	17.3
95.01362	6.9
97.02927	4.6
99.00864	15.9
101.02431	73.4
102.02748	1.5
111.00861	1.7
113.02440	34.4
113.03230	1.7
115.03983	4.5
125.02428	7.6
129.01895	2.0
131.03485	3.5
143.03510	5.2
149.04491	3.3
159.02943	7.0
161.04539	49.6
162.04843	2.5
191.05556	2.1
226.76874	1.0
226.84418	1.0
233.06517	6.8
269.10275	100.0
270.10736	6.3
293.08844	2.5
401.14468	95.6
402.14850	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	401.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16239	0.4
55.01871	1.1
57.03435	0.8
58.00585	0.6
59.01373	44.7
60.01709	0.8
64.18307	0.5
65.03300	0.4
70.67040	1.3
71.01376	12.7
72.99262	0.7
73.02943	3.3
73.37355	0.5
81.03462	0.6
81.60809	0.4
83.01391	2.1
85.02938	5.8
87.00848	0.6
88.54846	0.4
89.02434	7.3
93.03449	0.6
95.01368	1.1
96.96006	1.0
99.00869	1.8
101.02428	9.6
104.02832	0.5
109.06564	0.7
113.02433	4.9
119.03487	1.9
119.05021	2.5
121.02927	5.7
123.04504	2.8
123.08188	0.5
124.01662	0.8
125.02421	1.5
134.03731	0.7
135.04509	7.2
136.05281	20.2
137.02423	1.8
143.03433	0.7
150.03252	0.7
151.03978	1.4
151.07614	1.0
159.02975	0.9
161.04523	3.1
165.09262	0.5
166.02724	1.1
167.03473	0.9
177.05548	6.7
179.05623	1.2
187.55626	0.4
191.05598	2.4
195.06601	100.0
196.06953	6.6
207.60954	0.4
219.13792	0.7
221.11758	2.1
223.08208	7.4
239.09193	0.7
270.16006	0.5
279.83752	0.5
304.06000	0.7
341.10950	1.8
401.14227	7.6
401.18234	8.9
402.18704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17704	0.4
54.83990	0.5
58.64112	0.5
59.01374	100.0
60.01701	1.0
61.98818	2.4
63.70888	0.5
69.40253	4.1
71.01375	9.9
71.05002	0.4
72.76775	0.5
72.99313	1.8
73.02931	0.5
85.02950	1.3
87.00872	1.0
89.02434	7.8
95.01412	0.5
96.05340	0.6
96.96010	0.7
101.02463	2.7
108.02169	1.1
109.02937	1.2
113.02443	2.4
115.00356	2.9
119.03512	2.8
121.02968	2.1
123.04518	7.4
127.00356	0.6
133.01436	1.3
135.58453	0.5
146.03738	14.1
147.04079	0.7
152.01163	2.1
153.01945	0.6
161.04723	0.8
161.06035	5.1
164.04785	9.5
179.05711	1.4
179.07117	41.5
180.07481	2.1
217.75845	0.5
221.11749	0.8
257.66260	0.5
315.95947	0.5
341.11057	1.5
401.10635	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01297	2.8
56.98017	3.3
57.03432	4.6
59.01376	100.0
61.66886	2.4
63.94197	2.3
71.01379	34.5
72.99304	2.8
73.02929	6.0
73.15975	2.4
83.01371	6.5
85.02954	15.5
87.00860	5.9
89.02447	24.1
95.01359	5.6
96.95987	8.8
98.20744	6.1
101.02434	19.1
113.02428	18.1
118.98087	3.0
119.03493	8.1
121.02944	88.5
125.02420	5.8
134.04655	3.2
135.04494	21.5
135.06635	5.9
137.02454	3.4
160.01602	3.8
161.01917	3.7
167.03439	3.0
175.03951	6.5
177.12749	7.6
179.07106	6.6
191.05571	4.4
193.04968	3.5
219.13866	3.6
221.11711	5.6
223.11549	4.4
253.12572	8.9
341.10614	5.8
341.14371	6.3
354.55814	2.3
357.69931	2.6
364.50577	2.6
401.13406	10.3
401.18182	75.2
402.18387	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	401.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56470	0.7
57.03432	0.8
59.01372	28.1
71.01376	49.6
71.28592	1.4
72.99302	11.9
73.02933	2.5
76.79509	0.7
85.02943	1.6
87.00874	1.0
89.02419	4.0
93.03452	4.0
95.01410	1.0
101.02443	2.5
103.04003	1.1
108.02160	24.8
109.02953	19.2
113.02463	1.8
113.50668	0.7
115.00362	36.8
116.00755	1.0
119.03480	2.0
121.02945	21.3
123.04512	100.0
124.04848	4.7
126.10463	0.7
133.01407	21.9
137.02374	0.9
143.03424	0.8
151.04103	0.9
152.01141	23.5
153.01935	8.4
161.04460	1.0
179.05603	1.3
221.04565	2.3
221.11800	0.8
259.82425	0.7
283.27164	0.7
285.09735	9.3
290.34711	0.7
295.06583	1.0
383.09726	5.5
383.41965	0.7
401.10797	45.8
402.11136	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54565	1.4
57.03426	1.4
59.01373	15.7
61.98835	1.6
63.60141	1.2
68.99853	2.1
69.75537	8.3
71.01380	9.3
72.99299	1.9
73.02943	4.0
85.02952	3.2
87.00868	50.4
89.02443	7.4
98.19934	2.4
99.00861	1.4
101.02444	5.3
113.02435	4.1
115.57021	1.2
119.03497	3.1
121.02969	2.2
123.00902	4.2
125.02508	1.3
131.03563	1.7
135.04556	2.0
137.02483	1.7
138.03149	1.9
149.02435	2.6
151.00360	2.5
152.01157	2.3
152.04784	1.8
153.05666	1.6
161.02419	6.8
163.03998	17.8
164.04762	14.0
165.05624	4.3
166.02744	8.3
175.03996	3.4
176.04758	10.6
177.01898	5.6
177.05563	2.1
178.06339	17.1
179.03519	9.0
179.05649	1.7
179.07114	27.9
181.05052	8.9
190.02742	1.9
191.03467	17.3
191.07115	6.9
192.04225	2.5
193.05067	9.0
193.06686	1.5
193.08748	5.1
194.05806	6.8
203.03496	6.0
204.04158	2.1
205.05016	8.0
206.05818	8.2
207.02927	2.2
207.06592	2.3
209.08141	8.0
218.05853	4.6
219.03027	3.7
219.06503	1.8
220.03714	1.9
221.04553	3.2
221.08156	6.5
224.03226	2.0
231.03043	2.0
234.05322	2.5
237.07730	2.7
246.05275	2.2
247.02509	3.5
247.06113	4.1
249.07706	5.6
251.09236	2.9
261.07608	1.6
262.04819	10.4
265.07138	53.3
266.07501	2.8
277.07129	25.2
277.10001	1.0
288.90784	1.6
295.08194	64.1
296.08533	5.8
325.09238	2.5
341.10809	10.5
355.10327	20.4
383.09821	7.3
401.10907	100.0
401.15860	19.8
402.10989	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03438	7.7
57.47575	0.5
58.00593	0.9
59.01371	32.8
65.52694	0.6
69.03454	2.4
71.01374	20.9
71.62783	0.7
72.99294	1.1
73.02926	3.1
75.00874	1.0
81.03449	2.5
83.01369	3.3
85.02951	4.9
87.00855	1.6
89.02436	23.5
89.02989	1.2
90.02802	0.7
93.03434	1.3
95.01372	1.4
96.95995	2.1
97.02943	3.3
99.00865	5.1
99.04519	0.7
99.08092	0.7
101.02431	6.4
102.02742	0.5
105.03484	0.5
105.70470	0.5
107.05019	10.4
109.02950	0.9
109.06557	0.7
111.00893	0.6
111.04504	7.4
113.02432	3.9
115.03967	1.2
117.05602	0.6
119.03497	1.7
120.33308	0.5
120.99661	0.6
121.02950	3.7
123.04476	1.3
123.32871	0.5
125.02436	100.0
126.02776	3.6
127.04054	0.6
131.03510	3.1
135.04514	1.2
137.02431	1.7
138.03127	0.5
139.04036	1.6
143.03459	1.2
149.02431	7.8
149.04469	2.9
151.07584	1.0
161.02464	0.7
161.04529	3.8
161.09692	1.4
163.04005	0.8
165.01906	1.0
166.02762	1.1
167.03487	1.7
173.04494	0.7
179.03473	6.9
179.05005	0.8
179.05673	0.8
179.10735	5.4
187.07634	0.7
191.05591	8.3
203.10767	0.7
212.98714	0.5
221.11719	1.6
233.06622	6.8
239.05579	33.0
240.06013	2.5
246.35567	0.5
262.34119	0.5
263.05435	0.6
263.19281	0.5
269.10477	0.6
287.07516	0.8
293.08749	8.4
294.09241	0.8
303.04993	0.9
328.00693	0.5
341.10803	2.0
401.11234	4.1
401.18509	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	400.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40123	0.5
52.61207	0.5
58.02963	0.7
59.01357	3.9
69.83654	2.8
71.01362	1.5
72.04530	0.8
82.02975	0.6
83.01404	0.6
83.15443	0.5
83.44057	0.5
85.02943	1.0
87.00880	0.6
89.02444	1.5
96.96012	0.8
100.04034	25.9
101.02456	0.7
102.05595	58.0
102.98588	1.2
103.05924	2.1
108.02153	7.2
109.02477	2.2
109.03058	1.0
110.03256	0.5
111.06847	0.6
113.02431	0.6
119.03511	0.8
120.99639	100.0
121.19118	0.6
121.99972	1.9
128.03517	0.6
137.02400	0.6
140.01099	0.7
146.04578	35.3
147.04895	0.7
152.01132	3.8
153.01550	2.6
179.05615	0.5
183.08443	1.1
191.05600	1.7
225.61182	0.5
250.03925	5.6
271.09946	1.5
341.10904	0.7
359.20792	0.8
400.13370	11.7
401.13589	1.1
401.21707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69478	1.2
57.03419	1.3
58.00576	2.0
59.01376	41.4
61.92547	1.0
64.81866	1.1
71.01376	17.8
71.33354	1.9
78.88272	1.1
83.01385	1.5
83.05025	4.1
84.88844	1.1
85.02962	4.3
87.00868	1.6
89.02441	19.7
91.05518	2.0
93.07098	2.2
95.01411	1.3
96.96019	5.8
96.97653	1.1
101.02435	9.4
101.13701	0.9
113.02448	8.6
119.03478	7.7
119.05054	3.2
133.02919	1.3
133.10194	3.8
135.08786	1.1
137.02441	1.5
145.06641	6.7
145.07625	1.0
157.10155	2.5
159.08174	3.1
160.08929	41.6
161.02452	4.1
161.09299	3.1
173.09698	7.6
175.11273	71.8
176.11630	4.6
179.05544	1.7
197.38727	1.1
219.10248	100.0
220.10631	6.5
220.12488	1.1
281.08920	1.8
399.11716	2.8
399.16666	42.5
399.21872	2.3
400.17032	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.1
58.00587	1.9
59.01375	47.1
60.11351	0.8
61.98810	1.3
71.01377	25.1
72.99313	2.2
73.02956	2.0
75.00903	1.2
83.01363	1.6
83.05032	4.4
83.05467	0.8
85.02949	5.7
87.00865	1.5
89.02434	22.0
90.42868	0.9
91.05544	1.6
93.03467	1.4
93.07108	2.8
95.01407	1.7
96.95993	17.0
96.96566	1.2
98.95612	2.8
99.00851	1.4
101.02431	13.8
109.92001	0.9
113.02423	7.7
117.03471	3.6
119.03497	9.5
119.05035	1.2
121.78089	0.7
133.02975	3.1
133.06644	0.8
133.10216	5.5
137.02458	0.9
144.05788	1.4
145.03001	1.6
145.06595	6.9
157.10268	1.9
158.07382	0.9
159.08154	4.8
160.08914	48.4
161.02452	13.9
161.04573	2.9
161.09290	3.7
163.04005	1.6
173.09668	7.4
175.11255	75.2
176.11551	5.6
177.05612	1.0
179.05716	1.2
191.05672	2.9
219.10226	100.0
220.10567	7.2
251.11263	7.7
263.01489	0.9
296.52277	0.8
319.21219	1.0
336.90570	0.9
347.74792	0.9
372.27185	0.9
399.16769	52.4
400.16953	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	399.129
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
59.01368	0.8
65.55645	0.3
69.61214	1.1
69.61642	0.9
71.01382	0.8
73.04758	0.3
79.50223	0.3
81.03461	0.8
85.02944	1.0
85.54477	0.3
88.83916	0.3
93.03449	1.2
95.01381	0.7
101.02433	0.5
101.06065	3.8
108.02161	100.0
109.02972	20.4
110.03279	0.8
113.02403	0.4
121.02917	1.0
121.72236	0.3
123.00880	0.5
123.04488	0.8
125.02509	0.4
133.02905	1.0
135.00943	0.5
135.04474	0.4
137.02446	1.0
145.02928	0.4
151.04007	1.2
152.01131	56.6
153.01923	16.4
154.02267	0.4
163.03958	1.4
165.01909	1.2
328.41345	0.4
391.93918	0.3
399.12872	69.1
400.13220	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	399.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01589	0.5
59.01369	2.6
61.98832	0.5
67.88969	0.5
69.25958	4.8
71.01378	0.8
73.37950	0.5
81.03465	1.1
85.02968	1.0
93.03464	0.8
96.96004	1.7
101.06047	2.6
108.02161	9.4
109.02943	100.0
110.03286	3.1
123.00870	2.5
123.04521	0.6
134.06197	0.4
137.02411	1.0
151.03979	0.7
151.95129	0.5
152.01146	14.8
153.01923	68.7
154.02206	3.0
167.07133	0.6
297.06256	2.0
323.10358	1.4
343.88467	0.5
349.08121	0.5
367.09445	0.7
399.12881	71.8
400.13254	8.0
401.13531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14318	1.1
59.01373	22.0
61.98814	3.9
71.01381	17.2
71.61182	1.8
72.99306	1.4
73.02930	6.5
75.00851	1.0
78.95901	1.4
79.36800	1.1
83.01372	1.6
85.02946	8.2
87.00862	3.3
88.98772	1.4
89.02435	100.0
90.02771	1.7
95.01354	2.3
96.96006	19.3
96.96944	1.8
98.95630	1.5
99.00889	3.1
101.02432	20.6
113.02454	8.4
133.05037	5.7
153.01855	1.8
161.04538	12.9
223.08199	71.6
224.08446	1.6
244.41035	1.1
295.10229	2.6
315.07581	1.4
399.06253	1.6
399.13998	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	398.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
60.31340	0.3
61.98823	100.0
67.06432	0.3
71.01382	0.7
73.45431	0.3
85.02962	0.5
92.22199	0.3
98.20656	0.5
101.02405	0.6
116.80855	0.4
125.02393	0.4
140.17912	0.3
151.04015	0.6
160.13225	0.3
220.89758	0.4
381.48526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1293
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01885	1.1
56.98029	5.7
57.03422	2.5
58.00589	1.0
59.01377	15.7
61.98818	1.5
63.96220	2.4
69.60520	5.4
71.01380	13.9
73.02952	4.5
74.99080	3.6
83.01366	2.1
85.02935	7.1
87.00869	4.5
89.02409	3.6
90.77299	0.9
93.03424	3.0
93.54369	0.8
96.96003	7.6
97.02930	0.9
99.00845	2.2
101.01848	1.2
101.02438	13.7
113.02422	5.1
117.03452	0.9
117.05522	1.4
117.97276	1.8
118.98103	4.3
121.02930	6.9
125.02414	1.1
132.02168	18.0
133.02975	5.2
133.05009	0.9
134.03743	13.8
135.04474	1.8
137.02446	5.4
137.09663	3.7
149.06058	2.8
149.09633	1.3
160.01646	84.3
161.02260	4.7
161.04523	6.5
171.10194	2.3
175.03993	100.0
176.04343	5.0
177.01927	0.8
178.02603	1.3
179.03429	2.7
187.11212	1.2
189.12851	2.0
193.03296	1.1
193.05032	19.3
201.12816	1.0
203.14363	2.8
204.11491	1.8
209.04494	1.4
219.13878	14.5
220.14162	1.0
233.10136	1.1
239.05615	1.6
244.34520	0.9
247.11490	3.3
251.11320	14.5
263.31470	0.9
277.12686	0.9
319.20709	0.9
339.12436	1.4
357.13959	1.8
384.10489	1.1
399.12769	83.6
400.13074	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1861
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
56.39145	0.9
58.00594	1.1
61.56253	0.9
69.03416	0.8
69.60680	2.1
69.61085	3.8
87.04525	4.9
96.96003	3.3
113.06071	5.4
137.09708	4.7
165.05573	1.6
189.12909	1.1
191.14459	1.3
193.62639	0.9
241.71178	1.1
243.17584	1.5
257.15442	12.2
258.15750	1.3
261.11279	8.6
262.11829	1.0
273.18588	9.8
275.16476	3.5
289.18039	1.4
291.19632	2.5
297.79144	1.1
309.20712	3.5
335.18625	34.7
336.18948	2.9
353.19653	3.4
361.16388	1.9
379.17532	12.6
380.17798	1.2
397.18674	100.0
398.19022	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2047
Annotation	Sunitinib
Peak:m/z	Relative Intensity
59.01366	1.6
59.39473	0.4
61.98805	0.7
79.95731	1.4
83.33824	0.4
96.95999	100.0
98.95572	0.7
105.01926	0.6
112.43408	0.4
175.10123	0.4
217.00294	1.1
303.71811	0.5
365.46481	0.5
378.81262	0.4
397.20462	59.0
398.20792	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	397.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41769	0.6
52.40937	0.5
55.01873	2.3
57.03430	2.0
59.01375	100.0
60.01711	1.0
60.99290	0.7
61.98824	5.4
63.54470	0.7
69.77776	1.2
69.78189	2.7
71.01376	25.3
72.99307	1.8
73.02942	10.7
75.00879	0.9
78.95862	0.7
83.01373	5.2
85.02948	12.3
85.06595	4.0
87.00881	2.2
87.04508	1.6
88.98826	2.1
89.02438	9.4
95.01395	2.2
96.96008	3.9
97.02942	0.9
99.00883	3.8
101.02435	28.9
101.06090	0.9
111.00846	0.7
111.31696	0.6
113.02434	12.4
119.03493	3.3
122.06032	0.9
123.04505	0.8
125.02435	1.2
129.01933	1.1
131.07130	16.2
138.05623	0.9
143.03532	1.5
147.04518	1.3
159.03008	2.8
161.04558	13.2
175.02686	0.7
175.04028	2.8
175.13431	1.0
179.05594	1.8
205.05136	0.7
235.11807	12.4
297.11569	0.6
337.18634	36.9
338.19028	3.1
370.06027	0.6
397.12222	1.3
397.17108	15.7
398.17709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
59.01377	3.4
61.65086	0.3
64.11195	0.3
67.04125	0.3
69.54386	1.3
69.54810	0.6
71.01382	3.3
73.02946	0.8
83.01380	0.8
85.02955	2.0
89.02417	0.7
95.01373	0.3
96.95994	3.1
99.00874	0.5
101.02435	2.7
113.02454	1.4
117.03458	22.8
118.03822	0.9
119.05016	5.6
132.51071	0.3
145.02937	100.0
146.03281	5.2
147.04465	0.3
158.60378	0.3
163.03981	7.5
164.04344	0.4
186.97864	0.3
397.14999	45.4
398.15353	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55097	0.4
55.01864	1.1
57.03451	0.4
57.48986	0.4
58.00589	0.9
59.01373	24.7
61.98812	1.4
66.50470	0.5
68.37115	0.5
69.03439	0.5
69.54173	0.4
71.01376	19.7
71.04985	0.5
71.62778	1.1
72.99300	1.7
73.02937	7.1
75.00864	1.0
80.07190	0.4
81.03455	0.6
83.01383	2.6
85.02943	5.7
87.00877	2.6
87.04499	3.7
89.02435	11.7
89.02988	0.7
93.03430	0.4
95.01407	1.2
96.96008	7.9
97.02956	1.4
99.00884	1.9
99.04516	0.6
101.02434	15.1
101.06071	89.1
102.02779	0.5
102.06419	2.6
109.02940	1.6
111.00871	1.2
113.02434	9.2
113.06069	2.5
115.00365	2.0
115.04014	1.0
115.07637	100.0
116.07977	3.6
117.01939	1.1
117.03442	0.4
117.05563	1.6
118.64140	0.4
119.03492	4.3
121.02908	0.5
122.52794	0.6
123.04523	1.1
125.02451	1.3
127.00305	0.7
127.07675	0.5
131.03473	1.1
133.02914	0.5
133.05037	3.5
134.03844	0.4
135.04521	0.5
139.00365	1.8
143.03476	2.4
143.07121	14.9
145.02928	1.3
147.04485	0.6
148.05296	0.8
149.06055	9.7
151.06100	14.9
152.06429	0.5
155.07187	0.9
159.06517	0.9
161.02437	3.3
161.04538	6.9
161.05884	0.7
163.04024	1.1
173.08154	2.0
175.02478	1.2
175.04010	1.8
175.06128	2.7
177.01910	2.0
179.03615	0.4
179.05565	0.5
189.05630	0.7
191.05568	0.7
191.09245	3.9
193.05051	1.4
197.08217	1.7
203.09216	9.0
204.09622	0.7
217.07150	3.4
219.02979	2.8
221.10262	1.1
233.04491	1.2
237.04074	4.6
238.04388	0.7
245.10248	1.2
251.11272	0.6
263.11398	2.6
277.03455	2.9
293.06769	1.2
295.10275	10.5
295.13312	0.8
296.10703	0.7
302.21597	0.5
307.14096	0.7
313.11496	1.0
319.04468	0.9
337.05603	8.7
337.18622	0.6
397.11328	0.9
397.17075	9.9
398.17368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.15
Annotation	BRN 5158773
Peak:m/z	Relative Intensity
55.01876	1.8
57.03437	1.0
59.01097	0.4
59.01376	6.5
63.25698	0.3
68.99812	0.6
69.03437	0.4
69.49556	2.3
71.01376	12.8
72.01711	0.3
72.99306	0.7
73.02940	5.5
75.00851	0.6
75.18504	0.3
83.01389	2.5
84.98689	0.3
85.02942	8.2
87.00870	0.6
89.02428	1.3
93.03448	24.7
94.03786	0.7
95.01366	1.9
96.99285	0.8
99.00869	2.4
101.02434	12.2
108.02168	1.0
111.00867	0.6
113.02435	5.1
115.07615	1.4
117.03454	4.6
119.05020	1.2
120.99618	0.7
121.02923	1.5
125.02377	0.6
131.28984	0.3
135.04472	0.3
136.01657	2.7
137.02429	69.4
138.02759	2.0
139.53654	0.3
143.03481	0.5
145.02937	14.3
146.03235	0.9
147.04520	0.9
159.03004	0.7
161.04558	2.4
163.03960	1.4
177.05565	0.4
179.03593	0.3
191.03445	0.6
221.04568	1.6
277.12823	0.4
281.06570	1.8
344.11337	0.3
397.14987	100.0
398.15314	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	397.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68556	3.2
59.01369	66.9
61.98564	3.6
61.98829	47.4
69.54626	6.8
69.55034	21.1
71.01382	18.6
73.02937	8.7
83.01447	5.0
85.02945	11.0
85.06585	3.3
87.04517	4.2
89.02443	12.6
93.03403	5.5
96.96005	100.0
101.02427	19.6
113.02415	8.9
117.05585	18.5
131.07129	4.9
137.02451	5.5
161.04465	6.7
191.03418	3.2
191.05598	4.8
207.41362	3.7
235.11719	6.8
337.18268	5.0
346.57422	3.9
375.87665	3.8
397.12415	35.6
397.17813	12.9
398.13174	4.8
398.26700	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	397.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85805	0.3
53.37457	0.3
55.01860	2.0
57.03441	1.4
59.01376	8.5
61.98826	0.8
62.11197	0.4
68.99802	1.0
71.00984	0.8
71.01373	11.4
71.62887	0.4
71.63299	0.5
72.99306	1.0
73.02934	4.8
78.53235	0.4
83.01382	3.3
85.02943	7.8
87.00867	1.7
89.02424	0.7
89.21671	0.3
93.03448	26.1
94.03816	0.5
95.01379	1.4
96.96004	0.9
96.99290	0.8
99.00887	1.8
101.01764	0.8
101.02434	13.3
108.02155	1.2
111.00877	3.4
113.02435	5.3
115.07629	0.9
117.03419	0.4
120.99655	0.5
121.02944	1.0
136.01675	2.9
137.02429	74.9
138.02740	2.7
143.03458	0.6
145.02937	2.8
147.04510	0.6
151.00325	0.4
161.04550	1.8
163.03947	0.8
173.00882	0.4
179.03481	0.5
191.03554	0.7
203.90607	0.4
220.26953	0.4
221.04507	1.6
277.12930	0.4
281.06677	2.2
282.06631	0.4
397.14972	100.0
398.15338	12.3
399.43906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84283	0.4
59.01373	3.7
60.01679	0.3
60.39449	0.3
60.73864	0.3
61.98833	3.0
70.13707	0.5
70.14106	0.6
71.01379	1.5
72.99319	0.3
73.02932	1.1
78.95907	0.9
79.95737	2.5
85.02953	0.8
89.02422	0.9
93.03452	2.6
96.96004	100.0
97.95937	0.4
101.02454	1.1
113.02502	0.6
117.05576	1.6
124.31643	0.3
137.02428	5.5
161.04562	0.5
167.00284	0.7
170.20705	0.3
175.04025	0.4
177.01959	0.6
192.98181	0.5
209.01329	1.2
234.99220	2.6
235.11855	0.3
299.07727	0.9
397.12119	0.7
397.18402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
59.21498	0.2
61.98822	3.7
69.66892	1.0
71.01375	0.3
73.18948	0.2
79.95730	2.1
80.43179	0.2
84.95723	0.2
85.02916	0.2
91.02905	0.2
93.03459	0.2
95.95248	0.3
96.95999	100.0
97.02946	0.2
97.95943	0.3
98.19840	0.2
98.88564	0.2
98.95591	0.2
109.02939	0.2
118.36262	0.2
125.02440	0.3
128.60510	0.2
145.02908	0.4
151.03992	0.3
161.06036	0.2
168.07111	0.2
289.07312	0.2
306.54291	0.2
308.84940	0.2
315.05035	0.4
373.15942	0.3
395.21002	41.6
396.21375	4.8
413.67178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37164	0.3
59.01374	6.9
59.49300	0.3
60.01740	0.3
61.98828	6.1
70.34805	0.3
70.41267	0.3
71.01387	2.3
71.05001	0.8
71.32954	0.6
73.02951	2.2
75.00822	0.7
78.95904	0.8
79.95747	3.1
83.01397	0.4
85.02959	1.3
87.04506	0.5
88.98773	0.3
89.02449	1.3
89.76297	0.4
93.03458	4.1
96.96005	100.0
97.95939	0.5
99.00875	0.4
99.04519	0.3
101.02458	1.7
106.75317	0.3
113.02440	1.4
117.05570	5.9
119.03406	0.5
133.02998	0.4
137.02434	9.4
138.02666	0.4
145.02943	0.4
153.05676	0.4
161.04546	0.6
167.00232	0.6
169.64461	0.3
177.01915	0.5
192.98123	1.2
201.93839	0.3
209.01343	1.4
234.99167	4.4
253.93878	0.4
279.10870	0.4
299.07681	1.1
351.53159	0.4
361.14886	0.4
397.04227	0.5
397.12360	1.1
397.17877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85146	0.5
55.01873	0.9
57.03437	1.7
59.01373	100.0
60.01705	1.1
61.98843	1.5
69.84856	3.2
71.01371	17.0
71.21338	0.6
72.99319	1.2
73.02936	5.7
74.99107	0.6
75.00884	1.1
76.21617	0.6
80.96532	0.6
83.01390	2.2
84.04504	0.7
85.02942	6.5
87.00862	1.0
87.04519	1.3
88.98805	2.1
89.02434	12.4
95.01402	1.0
96.96001	2.3
97.02919	0.7
98.20531	0.8
99.00890	1.7
99.04536	1.7
101.02432	15.0
101.04279	3.0
102.98654	0.7
103.04001	1.3
109.02889	0.7
111.00903	0.6
113.02438	7.6
113.06052	0.7
115.04021	0.8
117.05553	3.8
118.27339	0.7
119.03512	5.4
119.30552	0.6
120.99702	0.6
131.03497	1.0
133.05087	0.6
143.03511	1.9
151.04021	0.6
153.01878	0.6
159.03012	1.1
161.04533	9.4
179.05656	2.0
182.90013	0.6
191.05609	1.4
197.04688	0.6
209.02921	0.7
247.79591	0.6
277.12881	0.9
283.04922	0.9
317.16705	0.7
335.13022	1.4
335.17053	28.9
336.17621	2.6
359.09698	1.3
359.13605	1.2
395.10181	1.5
395.15591	4.9
395.23416	0.8
396.12778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35749	0.2
59.01377	2.5
61.98861	0.3
67.93349	0.2
69.44302	1.5
69.44717	0.5
71.01379	1.8
72.55595	0.2
73.02936	0.8
74.02464	1.4
83.01355	0.3
85.02952	1.3
89.02446	0.3
93.03447	0.4
95.01356	0.3
96.96006	1.5
98.02501	0.3
99.00845	0.3
100.99313	0.3
101.02440	1.7
113.02449	0.7
116.03603	0.5
116.05068	1.2
117.03461	24.9
118.03783	1.0
119.05013	9.7
120.05324	0.5
120.64569	0.3
121.02959	0.6
128.03554	0.4
145.02942	100.0
146.03288	5.0
147.03494	0.4
163.03995	9.0
164.04330	0.4
203.08231	1.0
220.97485	0.2
245.09302	2.6
351.13510	0.8
362.63895	0.2
395.17041	49.0
396.17355	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	395.1705
Annotation	Glaucarubol
Peak:m/z	Relative Intensity
55.01869	0.4
59.01380	3.2
60.01643	0.3
61.98822	0.6
71.01389	2.6
73.02931	1.1
74.02460	0.9
83.01411	0.7
85.02955	1.3
89.02441	0.5
93.03472	0.4
96.96011	4.2
97.06590	0.4
101.02422	1.6
107.45873	0.4
113.02451	0.8
113.97572	0.4
116.05132	0.5
117.03454	26.8
118.03783	1.4
119.05009	9.4
120.05370	0.8
121.03012	0.5
123.04465	0.3
125.02422	0.8
145.02937	100.0
146.03267	5.2
147.03508	0.6
163.02689	0.9
163.03976	8.7
180.77167	0.4
191.03339	0.3
193.01431	1.2
203.08128	0.6
229.24345	0.6
245.09251	1.2
269.04431	0.5
327.21893	0.5
395.17010	43.9
396.17426	5.6
399.39429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	2.9
59.01376	82.4
69.03457	5.5
69.71873	6.1
71.01378	69.3
71.03033	1.2
72.01720	1.5
72.99306	3.1
73.02948	15.6
75.00855	2.1
81.03419	2.3
83.01392	3.5
85.02934	7.7
87.04511	1.6
89.02438	100.0
90.02781	2.4
92.18658	1.3
95.01345	2.5
96.96000	2.4
97.02945	10.0
99.00870	22.1
99.04525	2.0
101.02440	27.0
101.06072	43.5
113.02435	9.9
115.04001	6.3
115.07643	4.2
119.03538	1.7
125.02438	44.1
131.03474	15.2
139.52266	1.2
143.03468	4.6
143.07137	9.6
149.04547	29.2
161.04585	2.3
173.08150	4.1
176.08965	1.3
178.26768	1.2
191.05611	9.6
233.06613	21.0
293.08771	41.1
294.09067	2.6
315.33215	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
56.66658	0.3
59.01371	1.7
59.53566	0.4
68.18959	0.4
71.01386	1.3
73.02952	0.7
83.01405	0.7
85.02949	0.8
98.19831	0.8
101.02422	1.2
109.02985	0.7
117.03455	23.0
118.03786	0.6
119.05019	9.1
120.05368	0.3
121.02940	0.8
123.04509	1.1
145.02940	100.0
146.03288	4.3
163.03993	8.9
164.04335	0.5
297.11237	0.4
395.17035	46.1
396.17392	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	395.1707
Annotation	Glaucarubol
Peak:m/z	Relative Intensity
50.65298	0.2
53.60038	0.2
59.01380	1.4
61.98836	0.5
70.98381	0.3
71.01369	1.4
72.99321	0.2
73.02949	0.6
73.77230	0.2
76.73971	0.2
82.55988	0.2
83.01399	0.4
85.02929	1.0
87.49043	0.2
93.03449	0.3
96.96008	0.4
101.02438	1.2
109.02946	0.2
113.02462	0.5
117.03457	27.4
118.03765	1.1
119.05014	10.0
120.05339	0.4
121.02934	0.6
123.04523	0.3
145.02942	100.0
146.03278	4.2
163.03995	9.5
164.04370	0.5
168.56451	0.2
233.26952	0.2
249.41019	0.2
289.07159	0.2
393.08105	0.2
395.17047	42.6
396.17398	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	395.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27234	0.2
51.34340	0.2
57.03426	0.3
59.01381	1.6
69.61899	1.4
70.77367	0.2
71.01368	1.4
73.02931	0.7
83.01392	0.7
85.02938	0.9
96.95998	4.2
96.96582	0.4
101.02435	1.0
113.02483	0.3
117.03454	23.8
118.03760	1.2
119.05013	8.7
120.05373	0.4
121.02944	0.5
123.04449	0.4
145.02933	100.0
146.03275	4.9
161.24706	0.2
163.03979	9.4
164.04327	0.2
179.31606	0.2
395.17001	43.7
396.17328	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	395.1131
Annotation	8-C-Methylvelloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
57.03435	2.6
59.01364	2.7
60.75967	0.7
69.03445	1.4
69.54845	3.7
69.55259	1.2
71.01376	0.9
81.03449	2.9
83.00961	0.7
83.01371	4.5
83.05017	0.9
85.02928	0.8
88.37467	0.6
93.03447	18.8
95.01411	0.8
95.05010	6.4
96.95992	1.3
97.02945	10.3
101.02354	0.8
105.03451	0.9
107.05029	1.2
108.02136	1.6
109.02939	29.6
110.03269	1.0
111.04516	0.9
117.03464	2.7
119.05000	5.1
121.02898	4.3
122.03687	2.1
123.04510	21.1
125.02425	13.0
135.04517	3.7
137.02429	19.0
138.02885	0.7
139.03983	9.7
145.02930	10.3
146.03462	2.0
147.03464	1.5
147.04497	6.2
149.02422	19.6
150.03127	1.0
151.03984	13.3
159.04478	3.0
160.05228	1.9
161.02414	6.8
161.04665	1.1
161.06039	7.2
162.03224	2.9
163.03967	3.0
163.07640	3.4
164.01097	2.4
165.01884	4.1
165.05637	0.8
167.03529	1.7
173.06064	1.7
174.03206	1.5
175.03947	4.3
175.07571	1.9
176.01108	1.1
177.01863	2.0
177.05507	1.9
178.02716	1.6
179.03470	5.7
185.06078	2.0
187.03966	9.5
187.07585	1.4
188.04710	3.4
189.05457	1.0
189.09134	1.1
191.03481	2.5
197.06071	1.0
201.05495	1.6
201.09183	2.7
202.06335	2.4
203.07115	21.8
204.07361	1.3
205.05026	11.0
206.05402	0.9
213.05531	2.3
215.07092	11.0
216.07277	0.8
221.08015	3.7
224.47453	0.8
227.07091	3.7
229.05028	1.2
230.05847	1.6
231.03062	0.9
231.06499	0.8
243.06621	5.4
245.08148	19.4
246.08502	1.2
247.06160	4.5
248.06676	0.8
255.06589	1.1
257.08142	2.8
271.06021	1.8
272.03296	0.8
285.07617	0.7
289.07141	41.9
290.07428	2.9
300.02670	5.2
301.07129	14.9
301.10123	0.5
302.07462	1.3
309.11121	1.0
315.05020	5.1
327.12424	0.9
351.12350	6.7
395.11295	100.0
395.16196	5.1
396.11639	14.1
396.16525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1131
Annotation	8-C-Methylvelloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
57.03446	2.9
59.01374	1.8
61.98825	5.6
69.03442	0.9
71.01375	0.8
81.03448	3.3
83.00949	0.5
83.01382	5.2
83.05013	1.5
85.02944	0.4
93.03448	16.7
94.03780	0.4
95.01360	0.7
95.05016	6.0
96.96008	3.0
97.02942	8.7
104.09700	0.4
105.02548	0.3
105.03404	0.6
107.05001	0.8
108.02168	0.9
109.02942	28.3
110.03249	0.8
117.03446	2.7
119.04997	4.1
119.96864	0.3
121.02934	4.6
122.03742	2.1
123.00875	0.8
123.04511	21.0
124.04842	0.7
125.02428	12.2
126.02773	0.6
133.02905	0.6
133.06541	0.4
135.04509	2.5
137.02425	15.0
138.03134	1.0
139.03993	9.1
143.05025	0.7
145.02946	8.0
145.06601	0.5
146.03758	2.0
147.04500	6.1
149.02425	18.0
150.03262	1.8
151.03989	13.1
157.06615	0.3
158.03632	0.4
159.04474	3.1
159.08107	0.8
160.05275	0.9
161.01245	0.6
161.02440	6.0
161.06068	7.1
162.03175	2.4
163.03987	3.3
163.07639	2.6
164.01135	2.9
165.01915	3.9
165.05571	0.9
166.02618	0.3
167.03522	1.8
173.06039	1.3
174.03120	0.4
175.03940	3.1
175.07590	1.7
176.01108	1.5
177.01901	1.8
177.05516	1.7
178.02647	1.2
179.03477	6.0
183.08084	0.6
185.06093	1.1
187.03978	8.8
187.07568	0.7
188.04745	3.4
189.05508	1.5
189.09155	0.6
191.03470	3.2
192.04201	0.6
197.06036	0.8
199.07710	0.7
201.05507	1.2
201.09180	2.3
202.06320	3.1
203.07112	22.2
204.07440	1.8
205.05019	10.5
206.05380	0.6
212.04654	0.4
213.05562	2.8
215.07082	11.7
216.07477	0.9
217.05020	0.4
217.08662	0.7
221.08080	2.7
227.07095	3.9
228.07494	0.4
229.05087	1.2
229.27242	0.4
230.05768	0.5
231.02931	2.4
233.08005	0.4
239.07042	0.5
241.08772	0.5
243.06621	1.7
244.07283	0.7
245.08134	20.3
246.08461	1.4
247.06055	5.7
248.06395	0.5
255.06461	0.6
257.08105	2.6
271.06091	1.3
283.06030	0.6
285.07544	0.3
289.07147	35.0
290.07425	2.9
301.07114	11.8
302.07431	1.2
309.11285	1.1
327.12576	0.4
351.12268	6.8
352.12900	0.8
377.09903	0.4
395.11282	100.0
396.11609	13.9
396.16153	0.4
404.55392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82543	0.8
53.05477	0.8
55.01851	0.9
57.03440	2.2
59.01375	100.0
61.98826	3.8
62.56631	0.8
71.01377	17.8
71.61999	1.1
72.99312	1.5
73.02945	8.3
75.00877	1.4
83.01393	2.8
85.02956	7.7
87.00888	2.6
87.04523	1.7
88.98811	2.0
89.02441	14.7
95.01367	1.5
96.96004	3.9
97.02972	1.0
99.00876	3.0
99.04522	2.1
101.02433	14.2
101.04292	4.5
101.06113	1.0
102.98594	1.1
109.02949	2.0
111.00898	1.1
113.02451	8.2
115.03974	0.9
117.05601	4.4
118.05699	0.9
119.03462	5.7
125.02478	1.1
128.03583	0.9
131.03479	1.2
133.05096	3.9
151.03999	1.1
153.01910	3.0
159.06676	1.0
161.04549	8.8
166.32320	0.9
173.11786	0.9
179.05612	2.4
191.05695	1.2
195.06583	1.3
215.09303	0.9
239.09160	1.2
277.12820	1.2
279.11029	1.2
281.08286	0.9
327.10913	1.7
335.13129	1.8
335.17096	27.5
336.17392	1.9
359.09717	6.5
359.13541	1.7
395.10049	1.8
395.15439	7.1
396.13049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	7.9
59.01376	100.0
61.98834	46.9
71.01366	36.1
71.61087	5.8
72.46689	4.5
72.99293	7.2
73.02956	13.0
75.00855	8.4
83.01405	5.9
85.02953	18.1
87.00868	11.7
89.02433	39.1
95.01349	7.0
96.96009	44.9
99.00923	5.3
101.02435	29.3
101.04351	4.0
102.98653	4.7
108.02180	9.0
108.55060	4.1
109.02944	20.9
110.05119	4.2
113.02431	22.2
117.05571	7.3
119.03516	15.3
125.02497	5.4
135.04630	4.4
138.03282	5.4
145.04974	4.4
146.10873	4.7
151.04002	4.8
152.01143	11.6
152.66753	4.9
153.01910	22.7
161.04581	10.1
161.05992	6.2
173.08202	6.6
175.24480	5.5
179.05614	11.1
182.02170	7.0
189.05632	4.6
197.04498	18.0
215.09314	7.2
241.00241	9.6
245.17183	4.7
268.09171	4.5
277.12155	4.8
307.15500	5.5
313.05612	5.8
315.07233	51.0
335.13315	16.8
335.17105	15.3
346.83527	4.9
359.09491	5.7
395.02625	21.1
395.10324	9.7
395.15140	14.0
396.12936	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	395.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20796	0.4
59.01376	3.7
61.98823	2.4
69.30186	3.7
71.01368	3.2
72.99291	1.0
73.02938	1.0
78.57080	0.4
79.95725	3.5
80.91682	0.5
80.96511	3.3
83.01370	0.6
85.02950	1.5
87.00869	1.1
89.02442	1.2
95.01337	0.6
96.95999	100.0
97.95959	0.4
99.00884	0.6
101.02424	2.0
108.02179	0.7
109.02937	12.6
113.02444	1.3
122.97539	0.5
123.04523	0.8
125.02364	0.5
135.04564	0.4
137.02426	9.4
137.52240	0.4
138.97060	9.4
143.03487	0.8
144.37271	0.4
145.83629	0.4
149.61755	0.4
150.97052	1.3
152.01108	1.0
153.01918	17.3
154.02266	0.9
161.04510	0.5
164.98602	1.1
179.03461	0.6
180.98170	1.1
195.02954	0.9
197.04532	1.6
222.99176	2.7
241.00195	51.5
242.00478	2.6
315.07193	4.0
335.13034	0.6
359.09702	0.9
360.12906	1.3
395.02814	50.7
396.03128	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	395.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.5
61.98815	1.4
69.76381	1.4
69.76790	3.3
71.01374	2.9
79.95732	1.4
80.96507	0.9
85.02940	1.8
96.96004	44.9
98.20502	1.2
99.00885	0.6
101.02438	1.4
102.02534	0.5
108.02174	16.1
109.02946	40.0
110.03228	1.2
113.02454	1.2
121.02899	0.7
123.00871	0.9
132.44696	0.6
137.02396	3.9
138.97090	3.4
151.04041	1.4
152.01151	24.3
153.01930	51.3
154.02263	1.8
164.98645	0.9
197.04271	0.7
241.00197	12.5
315.07187	100.0
316.07504	6.8
335.13489	0.9
351.03854	5.2
377.01877	3.9
395.02826	34.1
396.03052	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	394.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97042	0.4
59.01366	2.0
61.98822	100.0
63.18752	0.4
66.20090	0.4
69.50863	1.9
69.51290	1.3
70.10135	0.4
70.35141	0.5
70.38628	0.4
80.04816	0.4
83.06559	0.4
96.95986	0.6
97.02968	1.3
98.20590	0.9
111.12426	0.4
132.75684	0.5
146.65498	0.4
149.63783	0.5
309.20920	0.7
394.05722	0.6
394.18362	7.5
395.18716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67675	0.5
59.01366	1.4
61.98824	100.0
85.05402	0.5
95.42356	0.5
96.96000	1.0
171.10278	1.7
172.10587	1.0
203.10843	0.7
204.11128	1.4
228.34464	0.5
230.57968	0.6
309.20871	1.1
387.72006	0.5
394.18445	6.1
394.23187	0.6
395.18655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90141	0.5
51.44088	0.6
51.69832	0.6
54.27147	0.6
57.41522	0.6
59.01374	15.6
60.01725	1.9
61.01817	1.5
61.98827	100.0
64.67596	0.6
70.12292	0.6
71.01385	2.2
71.07717	0.9
71.08063	1.4
73.02953	1.4
73.59132	0.5
75.00856	0.7
83.18389	0.6
85.02963	1.1
89.02428	1.2
96.96011	3.5
101.02451	1.3
106.06637	3.6
107.98969	0.5
109.02955	1.4
113.02477	0.7
121.02988	0.7
123.04539	1.8
132.67154	0.6
135.04448	0.7
145.02917	3.4
150.05600	2.1
151.03900	0.7
179.01859	0.7
191.05690	0.6
194.04543	0.9
263.15036	1.5
334.19156	0.9
356.09766	1.8
394.19357	0.7
394.29391	1.1
395.13773	3.0
395.18875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.0
60.01711	1.4
61.01799	1.8
61.98825	100.0
63.99253	1.7
71.01373	1.8
71.62994	1.1
72.99300	0.7
75.40772	0.7
85.02962	1.3
89.54688	0.6
96.95995	8.0
96.96474	0.7
101.02427	1.5
101.06103	1.1
108.32157	0.6
117.03468	0.7
119.05075	0.7
123.90180	0.6
125.02453	3.3
137.02458	1.1
144.04535	1.7
145.02940	3.3
165.01909	1.9
167.03491	1.2
168.03767	0.8
169.04016	0.9
178.99762	0.9
193.03307	0.7
233.04605	1.8
241.00407	0.9
293.76877	0.7
299.06589	1.5
313.06461	4.1
313.56595	0.7
314.11179	0.7
331.09326	1.3
358.12411	1.0
365.71115	0.7
382.81805	1.0
383.34036	0.7
394.04581	1.3
394.12363	3.1
394.17139	1.2
394.25064	4.6
395.13370	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	393.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79088	48.0
59.01351	69.9
61.98812	100.0
71.02557	97.8
75.90116	43.7
110.57388	42.5
131.44951	44.7
185.34044	41.9
325.30844	44.5
357.47940	48.0
381.03787	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90141	0.5
51.44088	0.6
51.69832	0.6
54.27147	0.6
57.41522	0.6
59.01374	15.6
60.01725	1.9
61.01817	1.5
61.98827	100.0
64.67596	0.6
70.12292	0.6
71.01385	2.2
71.07717	0.9
71.08063	1.4
73.02953	1.4
73.59132	0.5
75.00856	0.7
83.18389	0.6
85.02963	1.1
89.02428	1.2
96.96011	3.5
101.02451	1.3
106.06637	3.6
107.98969	0.5
109.02955	1.4
113.02477	0.7
121.02988	0.7
123.04539	1.8
132.67154	0.6
135.04448	0.7
145.02917	3.4
150.05600	2.1
151.03900	0.7
179.01859	0.7
191.05690	0.6
194.04543	0.9
263.15036	1.5
334.19156	0.9
356.09766	1.8
394.19357	0.7
394.29391	1.1
395.13773	3.0
395.18875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01375	25.2
60.01707	2.8
61.01809	0.9
61.98825	100.0
65.63388	0.6
66.20867	0.5
69.64587	3.3
70.64568	0.5
71.01386	2.0
73.02941	1.2
83.72578	0.6
86.03269	0.6
89.02435	0.7
92.43030	0.5
96.96018	1.2
101.02449	1.4
113.02456	0.5
117.03484	0.7
145.02905	2.8
161.04492	1.0
161.80882	0.5
162.04941	0.6
163.04007	0.5
164.01176	0.5
216.51097	0.5
272.06607	0.8
289.51950	0.6
334.19781	1.7
394.21652	4.0
395.05701	0.6
395.13583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.0
60.01711	1.4
61.01799	1.8
61.98825	100.0
63.99253	1.7
71.01373	1.8
71.62994	1.1
72.99300	0.7
75.40772	0.7
85.02962	1.3
89.54688	0.6
96.95995	8.0
96.96474	0.7
101.02427	1.5
101.06103	1.1
108.32157	0.6
117.03468	0.7
119.05075	0.7
123.90180	0.6
125.02453	3.3
137.02458	1.1
144.04535	1.7
145.02940	3.3
165.01909	1.9
167.03491	1.2
168.03767	0.8
169.04016	0.9
178.99762	0.9
193.03307	0.7
233.04605	1.8
241.00407	0.9
293.76877	0.7
299.06589	1.5
313.06461	4.1
313.56595	0.7
314.11179	0.7
331.09326	1.3
358.12411	1.0
365.71115	0.7
382.81805	1.0
383.34036	0.7
394.04581	1.3
394.12363	3.1
394.17139	1.2
394.25064	4.6
395.13370	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	393.2279
Annotation	Cytosporic acid
Peak:m/z	Relative Intensity
57.03445	11.0
59.01377	3.3
61.98824	1.0
65.00308	0.3
66.40718	0.3
69.32124	0.8
69.32539	1.9
69.48946	0.3
71.34106	0.3
81.03451	11.1
83.01380	4.6
83.05024	0.4
86.08208	0.3
90.37409	0.3
91.06098	0.3
98.20725	0.3
107.01370	0.4
108.72887	0.3
125.02436	100.0
126.02776	3.0
132.70232	0.3
134.72197	0.3
174.43970	0.3
223.20645	11.0
224.21024	0.9
247.20702	0.7
263.23657	1.9
265.21680	19.9
266.22012	2.1
267.19681	2.3
279.23254	0.7
283.22769	1.4
287.23798	1.4
289.21680	1.3
305.24872	1.8
307.22745	4.8
308.23346	0.6
331.22775	3.4
349.23672	3.6
350.23911	0.5
393.22778	69.7
394.23135	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	393.264
Annotation	Tylactone
Peak:m/z	Relative Intensity
57.03427	2.2
59.01374	5.0
59.37918	0.4
60.07966	0.5
61.65269	0.5
61.98819	0.9
65.00311	1.4
68.13110	0.5
71.17056	1.0
71.17384	0.6
80.02694	0.6
81.03447	10.7
83.01369	2.4
86.47825	0.5
95.04964	0.6
96.95950	0.6
107.01384	1.0
112.56794	0.5
118.07143	0.5
120.19221	0.5
122.03725	4.6
125.02435	10.8
142.06689	0.6
149.09671	1.6
151.00363	2.1
261.95044	0.5
267.23199	0.6
281.24527	0.6
292.62137	0.7
304.51163	0.5
305.24893	1.6
307.26434	2.6
309.24344	1.6
311.20142	1.5
331.26389	2.0
349.27441	12.3
350.27664	2.0
385.91516	0.5
393.26419	100.0
394.26743	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	393.228
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
59.01368	6.0
61.98819	2.5
65.00302	1.8
67.01889	1.4
68.99799	5.1
70.93209	0.9
71.09981	2.5
75.74609	1.0
76.57654	1.1
76.93551	1.2
81.03407	1.5
86.17931	1.0
125.02441	2.0
151.00331	1.3
153.01907	1.9
178.99831	4.3
190.02809	2.0
192.00511	1.4
193.01405	1.3
239.20172	1.3
279.23071	1.1
281.21097	4.3
347.22110	1.6
365.23129	2.3
391.21219	11.3
392.21530	1.8
393.22711	100.0
394.23056	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.2
59.01372	4.3
61.98808	1.0
71.62347	0.6
81.03439	1.4
83.01373	7.0
89.66422	0.4
107.01409	0.8
115.71441	0.4
117.01950	1.2
121.02918	0.6
123.04493	0.5
125.02430	100.0
126.02760	3.9
149.02380	0.9
167.03481	1.6
238.82144	0.4
245.52599	0.3
254.73851	0.6
267.19547	2.7
275.20059	1.9
393.22766	12.6
394.23181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35524	1.8
57.03430	2.9
59.01374	32.1
60.01772	1.5
61.98816	3.0
69.03444	2.6
69.38278	14.0
72.90586	1.6
93.03420	2.0
96.95998	3.8
113.02434	1.6
121.10224	4.6
125.09715	2.1
127.11292	5.0
128.45605	1.5
137.07443	1.7
139.11278	28.1
155.10707	3.1
171.10249	47.5
172.10580	1.6
179.10561	1.9
183.10280	3.6
185.11826	10.3
193.08430	13.1
199.04689	1.6
201.11304	7.4
207.10011	29.5
223.11765	3.5
247.20694	3.2
253.09279	4.3
256.35666	2.2
267.10715	1.7
275.20065	3.3
293.21216	12.0
311.22253	100.0
312.22604	9.9
315.19357	37.2
316.19733	2.5
333.20441	36.5
334.20444	2.2
377.19409	7.9
393.21707	17.8
394.21906	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	393.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98826	10.2
68.86859	2.7
69.46494	7.8
69.46909	18.1
71.01361	10.4
73.02953	5.1
79.16506	2.6
83.01383	3.4
85.02922	3.2
86.13658	3.2
89.02434	6.4
93.03467	3.6
96.96014	15.0
98.19804	3.4
101.02443	6.9
101.06084	19.9
113.02470	4.9
115.07658	31.6
129.09238	8.2
133.31839	4.2
143.07135	4.4
145.02928	6.0
183.47404	3.0
202.06036	3.6
202.45912	3.2
209.11847	8.9
214.06163	3.1
228.94142	3.3
333.19238	6.3
393.17322	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	393.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66187	0.5
54.17934	0.6
57.03444	1.3
59.01374	100.0
60.01703	1.5
60.89688	0.5
69.60381	4.1
71.01374	8.3
73.02940	0.5
75.75345	0.5
78.21185	0.5
81.03455	0.6
81.28973	0.5
83.01393	1.7
85.02954	1.5
89.02436	11.4
90.44243	0.6
93.03455	2.9
95.01403	0.6
96.76064	0.6
96.96003	15.9
97.65597	0.5
101.02439	3.8
102.73528	0.6
113.02442	3.8
117.03455	10.0
119.03487	4.0
119.05004	3.7
121.03004	0.7
125.02436	14.9
131.03450	0.6
137.02446	8.0
143.03520	0.6
145.02939	36.4
145.06670	0.9
146.03310	1.8
149.02460	2.6
161.02490	1.5
161.04552	1.1
163.03976	3.2
167.03476	0.6
179.05618	2.4
187.07658	2.3
191.03551	0.7
218.36287	0.6
231.06601	10.6
255.06572	3.4
285.07843	0.8
393.11661	1.9
393.15625	13.5
393.19797	5.9
394.15808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
59.01376	100.0
60.01701	0.8
60.99308	0.5
61.98824	0.4
69.50883	0.7
69.51296	1.5
69.62592	0.3
71.01380	4.6
73.02937	2.3
81.03465	0.8
83.01395	1.2
85.02937	2.6
87.00880	0.3
88.98804	3.7
89.02460	0.9
93.03468	0.4
95.01412	0.5
96.95974	0.4
97.06616	0.4
98.20758	0.3
99.00888	0.6
101.02434	4.6
101.03053	0.4
109.06576	0.5
111.04527	0.6
113.02441	2.2
113.03197	0.3
120.99686	0.3
123.04514	0.4
125.02455	1.7
125.09743	1.1
131.07173	0.5
141.34624	0.3
143.03554	0.4
149.02464	0.5
150.03255	0.7
151.00391	0.5
151.07626	5.1
151.25691	0.4
152.07944	0.4
159.03058	0.7
161.04561	4.4
162.04950	0.3
165.05614	0.4
178.99986	0.5
190.65419	0.3
195.06607	29.7
196.06880	1.8
214.91681	0.3
215.57617	0.3
221.02777	0.4
230.79567	0.3
266.99515	0.4
283.02258	0.5
331.03018	0.5
333.19156	14.7
334.19611	1.3
357.11911	3.4
375.01859	1.0
375.20172	0.5
393.17569	1.2
393.22034	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
59.01376	100.0
60.01701	0.8
60.99308	0.5
61.98824	0.4
69.50883	0.7
69.51296	1.5
69.62592	0.3
71.01380	4.6
73.02937	2.3
81.03465	0.8
83.01395	1.2
85.02937	2.6
87.00880	0.3
88.98804	3.7
89.02460	0.9
93.03468	0.4
95.01412	0.5
96.95974	0.4
97.06616	0.4
98.20758	0.3
99.00888	0.6
101.02434	4.6
101.03053	0.4
109.06576	0.5
111.04527	0.6
113.02441	2.2
113.03197	0.3
120.99686	0.3
123.04514	0.4
125.02455	1.7
125.09743	1.1
131.07173	0.5
141.34624	0.3
143.03554	0.4
149.02464	0.5
150.03255	0.7
151.00391	0.5
151.07626	5.1
151.25691	0.4
152.07944	0.4
159.03058	0.7
161.04561	4.4
162.04950	0.3
165.05614	0.4
178.99986	0.5
190.65419	0.3
195.06607	29.7
196.06880	1.8
214.91681	0.3
215.57617	0.3
221.02777	0.4
230.79567	0.3
266.99515	0.4
283.02258	0.5
331.03018	0.5
333.19156	14.7
334.19611	1.3
357.11911	3.4
375.01859	1.0
375.20172	0.5
393.17569	1.2
393.22034	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.2
58.89316	1.3
59.01092	1.7
59.01373	30.2
61.98811	4.3
64.65488	1.4
69.78469	6.1
70.21305	1.3
80.56982	1.3
95.62268	1.3
96.95959	1.9
107.60258	1.6
109.53743	1.3
121.04146	1.4
121.10196	1.3
125.09695	5.8
127.11256	6.8
139.11267	42.7
140.11604	2.3
140.36801	1.3
155.10753	2.8
165.09062	2.5
165.93246	1.5
167.10661	1.5
171.10254	61.3
172.10524	3.0
181.72603	1.3
183.10201	4.2
185.11806	14.9
193.08434	90.7
194.08791	4.4
201.11346	8.8
207.09972	1.5
209.07893	1.8
209.10205	1.8
247.20576	3.1
253.09198	8.0
267.10721	1.9
275.20117	6.0
293.21262	11.0
311.22241	100.0
312.22629	11.3
315.19431	13.3
316.19412	1.9
333.20505	11.2
377.19345	1.9
381.31128	1.5
393.22305	16.3
394.22684	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	393.155
Annotation	Queenslandon
Peak:m/z	Relative Intensity
57.03422	0.4
58.00577	0.3
59.01374	3.6
66.48702	0.2
69.57849	1.7
69.82750	0.2
71.01388	1.6
72.67342	0.3
77.50309	0.2
82.03809	0.3
85.02942	0.4
89.02438	1.1
96.96030	0.5
97.93475	0.3
101.02454	0.6
113.02454	0.6
117.03449	25.4
118.03807	1.3
119.03629	0.5
119.05008	9.9
121.02929	0.3
125.02409	0.6
140.10962	0.3
145.02931	100.0
146.03264	5.1
163.03983	9.8
164.04324	0.4
195.52301	0.3
231.06557	0.4
359.25693	0.2
373.44086	0.3
393.15472	39.3
394.15747	4.9
407.71091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1553
Annotation	Queenslandon
Peak:m/z	Relative Intensity
59.01375	4.5
60.01674	0.3
60.04213	0.2
61.98820	0.8
71.01368	1.9
71.63168	0.3
83.01381	0.3
85.02943	0.5
89.02450	1.0
93.03402	0.4
95.01395	0.3
96.96006	1.7
101.02442	1.2
113.02420	0.6
117.03455	25.2
118.03807	1.0
119.03655	0.4
119.05009	10.0
120.05369	0.4
121.02972	0.6
125.02454	0.2
127.83689	0.2
133.02997	0.3
137.02446	0.8
145.02934	100.0
146.03273	4.9
149.02449	0.3
161.04547	0.2
162.03235	0.2
163.03996	9.3
164.04347	0.3
212.04761	0.2
222.85353	0.2
243.65421	0.2
287.05658	0.4
319.09708	0.3
333.19174	0.3
393.15500	36.6
394.15765	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	392.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86458	0.4
59.01379	4.4
60.01708	0.4
61.98825	100.0
69.58510	2.5
95.55879	0.5
125.02422	0.6
171.13933	1.0
171.96519	0.5
178.52995	0.4
413.48032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0704
Annotation	FL 120B'
Peak:m/z	Relative Intensity
59.01362	1.2
61.98829	4.2
67.62334	0.6
68.99557	1.2
70.73245	0.8
70.73560	1.2
71.01361	0.6
78.95901	2.3
79.95702	3.1
82.58789	0.6
96.96002	100.0
96.96879	3.8
98.95577	1.9
101.43819	0.6
106.56693	0.7
112.98568	2.2
118.96610	1.2
153.20033	0.5
161.40109	0.6
174.01468	0.7
189.00677	0.6
219.88060	0.5
393.06998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.7
59.01374	66.5
61.98822	59.5
65.43222	1.6
67.38261	1.6
69.44656	14.2
71.01375	30.6
72.99317	4.8
73.02926	5.2
74.99123	2.5
75.00878	3.1
85.02958	10.0
87.00864	6.9
88.09912	1.7
89.02430	25.5
92.88839	2.0
92.94469	1.7
93.03463	2.1
95.01387	1.9
95.05024	2.3
96.95980	7.1
97.02939	2.7
99.00754	1.7
99.04498	2.8
101.02436	17.1
113.02464	11.6
115.00404	2.1
119.03496	10.7
120.99612	2.4
121.02917	2.8
123.04539	3.8
125.02456	3.5
127.94289	1.6
131.03439	2.3
134.03709	7.0
135.04485	7.2
136.05280	5.3
137.02463	3.0
141.74290	1.8
143.03499	1.6
147.88995	2.0
149.02452	17.2
149.06088	2.6
150.03224	12.2
151.03917	3.0
161.04514	5.9
162.03209	35.4
163.03889	2.0
164.04749	4.1
165.05576	13.7
167.03503	2.6
168.03804	2.4
171.59772	1.7
175.02507	2.2
175.03899	2.5
177.05550	100.0
178.05882	6.8
179.05588	3.9
180.04233	2.1
195.06601	66.1
196.06888	3.2
213.11324	2.2
295.10233	2.1
330.11078	3.6
333.15506	2.4
345.13431	16.3
346.13876	2.6
357.11832	20.1
393.08148	2.5
393.12659	6.2
393.17532	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	392.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68180	0.3
55.88356	0.3
59.01374	26.4
60.01713	2.5
61.98824	100.0
62.85107	0.3
67.65311	0.3
69.30945	2.8
69.31347	0.7
71.01375	1.2
80.05051	0.5
81.03474	0.7
83.01392	0.8
85.02950	0.7
87.00934	0.4
89.02394	0.7
96.96024	0.5
99.04521	0.7
99.15383	0.4
101.02451	0.7
102.38497	0.4
113.02442	0.4
115.07639	0.4
123.04524	7.7
124.04911	0.4
125.02464	1.2
135.04501	0.7
135.98340	0.5
143.03435	0.4
150.05605	0.4
163.04001	0.9
164.04576	0.5
167.03477	29.3
168.03880	1.5
179.03537	0.4
181.05035	0.9
191.03473	8.7
191.05371	0.8
192.02986	0.5
192.05916	0.5
194.04495	0.5
195.06575	0.5
207.06584	0.8
208.07062	0.5
209.04523	2.9
210.99760	0.3
221.04630	0.7
233.15013	0.4
245.58188	0.5
269.06631	0.6
296.06476	1.0
299.08881	0.5
311.08701	0.4
314.11142	0.9
326.11203	1.5
329.08734	15.2
330.09076	1.8
332.18091	0.5
344.12161	2.3
362.13385	1.0
374.13306	0.8
391.23727	0.5
392.14386	0.9
393.12469	0.6
393.25058	1.7
393.38571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.3
59.01372	9.2
61.41099	0.5
69.41975	0.5
69.83519	1.0
69.83910	1.0
81.03454	1.3
82.04749	0.4
83.01379	6.9
89.02450	0.4
107.01452	0.7
123.04510	1.0
125.02431	100.0
126.02762	3.1
149.02364	1.1
151.00429	0.6
167.03456	1.4
167.96338	0.5
255.23318	1.3
265.21683	3.8
266.22101	0.6
355.32013	0.7
391.24960	6.3
392.25067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98795	3.4
71.01356	3.9
71.53976	3.9
71.54333	2.9
100.08760	3.2
161.04544	3.2
255.23233	11.6
331.17618	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	392.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71768	0.4
57.03432	0.5
59.01375	11.9
60.01710	0.5
61.98827	100.0
71.01385	1.7
71.62288	0.4
82.38700	0.4
85.02953	0.8
85.20200	0.3
89.02453	0.9
96.96008	0.6
100.69641	0.4
101.02471	0.6
102.85312	0.4
107.90685	0.4
113.02424	0.6
117.97253	0.4
123.04539	1.6
125.02418	0.8
135.04631	0.4
145.37122	0.4
150.03232	1.2
151.04018	0.7
161.04576	1.0
164.18958	0.4
165.05568	1.1
167.03468	5.7
170.25630	0.4
179.05862	0.3
191.55328	0.4
195.06595	7.2
211.09402	0.4
233.33578	0.4
308.09512	0.4
329.08887	1.5
332.14407	0.9
333.15350	0.4
347.50168	0.4
357.12039	1.2
376.06357	0.4
392.09857	0.5
393.13080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2487
Annotation	6alpha-malonyloxymanoyl oxide
Peak:m/z	Relative Intensity
57.03442	2.3
57.26394	0.3
59.01372	11.3
65.00315	1.5
67.01856	0.4
68.99789	0.5
69.03461	0.3
69.95885	1.2
71.01360	0.7
72.24802	0.3
79.69827	0.3
81.03447	17.0
82.03782	0.5
83.01370	1.9
83.04993	0.3
85.02914	0.3
98.20594	0.4
107.01369	0.8
113.02462	0.2
119.03453	0.2
122.03717	1.4
125.02433	14.7
151.00337	1.2
209.19264	0.3
237.22266	1.4
254.34033	0.3
261.22150	0.4
263.23636	2.2
265.21686	2.7
277.25287	1.1
281.24640	0.4
287.23822	2.2
305.24802	3.8
306.25250	0.4
307.22781	0.8
319.26135	0.3
329.24609	0.6
331.17639	0.5
347.25836	15.0
348.26279	1.5
354.53061	0.3
373.23810	0.7
391.24832	100.0
392.25183	13.3
392.30365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2122
Annotation	Ajugarin II
Peak:m/z	Relative Intensity
59.01373	65.0
60.01685	1.3
61.98822	2.5
71.01367	3.1
71.62365	1.7
71.62725	1.3
73.02971	1.3
81.03442	1.3
89.02452	3.3
96.96011	2.5
101.02417	1.8
113.02467	1.4
119.03457	1.4
125.02416	5.0
137.02458	2.5
161.04512	1.8
163.00320	2.3
170.06296	1.5
190.99744	1.4
205.01411	3.3
255.23381	1.8
259.20688	3.1
261.11349	1.3
288.09967	2.2
301.21655	5.6
302.11533	2.1
305.21429	1.4
327.19809	1.4
329.21155	7.6
330.14755	3.9
331.17776	2.0
345.16602	3.3
345.20670	39.2
346.20874	4.3
347.22229	2.0
373.20139	90.7
374.20554	12.2
391.21194	100.0
392.21616	13.6
392.26456	2.2
410.34885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48717	0.4
55.01863	1.2
57.03435	0.7
59.01372	100.0
60.01709	1.2
69.56704	2.8
71.01373	18.2
72.99329	0.7
73.02946	4.9
77.18579	0.4
79.95770	0.6
80.96510	0.7
83.01372	2.1
85.02943	6.3
87.00864	2.1
88.34749	0.4
89.02438	9.2
93.03481	0.6
95.01392	0.8
96.96000	11.0
99.00871	2.2
101.02434	14.0
102.02841	0.6
113.02438	8.0
114.02812	0.4
119.03497	4.3
121.01994	0.4
121.02940	0.5
123.04523	2.0
125.02471	0.6
127.88908	0.4
129.01862	0.6
130.86659	0.4
131.03455	3.6
143.03502	1.6
149.04588	0.5
158.14699	0.4
159.03008	1.4
161.04538	14.5
161.05840	0.8
162.04865	0.5
179.05556	2.3
221.06653	9.2
241.00302	1.7
331.17575	8.9
332.18219	0.7
391.10559	7.5
391.19037	0.7
391.26453	1.4
392.20270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
59.01374	100.0
60.01706	1.5
61.98819	1.5
70.74873	1.3
71.01373	8.2
72.21260	0.5
72.99306	1.1
73.02945	1.6
74.99091	0.8
78.36344	0.4
83.01419	0.6
85.02956	3.2
89.02431	5.3
95.01411	0.5
99.00884	0.7
101.02436	6.0
113.02434	4.0
119.03502	2.4
135.98364	1.7
136.99167	1.3
143.03532	0.8
143.93134	0.4
150.03189	0.4
159.02921	0.7
161.04539	8.9
179.05623	1.1
261.11850	0.7
313.10748	0.6
331.17593	10.0
331.21173	0.7
332.18182	0.5
343.11972	0.7
355.31229	0.4
373.22464	0.5
391.14615	0.5
391.23383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03444	0.7
59.01374	100.0
69.33812	1.6
69.34214	5.3
71.01379	17.1
73.02938	4.3
74.16881	0.6
83.01401	2.5
85.02931	6.6
87.00887	1.1
89.02434	12.4
93.23024	0.6
95.01413	1.4
99.00887	1.9
101.02424	13.4
113.02444	7.8
119.03497	5.5
124.65621	0.6
143.03510	1.9
154.67134	0.6
159.03014	1.9
161.04550	14.4
161.05835	1.1
176.70982	0.8
179.05608	2.9
331.17566	27.0
332.18082	2.7
391.27304	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74405	1.5
52.79625	1.3
59.01371	57.3
61.98826	2.9
69.03450	9.0
71.01379	2.8
71.29103	2.7
79.19524	1.3
80.91702	1.8
83.05019	3.1
85.02943	5.1
86.73503	1.5
89.02456	2.5
96.95969	1.4
97.02942	89.8
97.06582	5.8
98.03265	2.5
111.08163	3.0
119.08661	2.8
125.09662	1.5
137.09720	25.7
149.09676	1.4
167.10658	2.0
171.10236	26.8
172.10619	2.3
177.12865	3.3
185.11826	2.7
193.08429	23.6
195.13774	1.8
207.10010	15.7
210.00122	3.6
211.13275	4.8
215.10500	2.7
219.54935	1.5
221.11784	5.2
233.11536	18.0
239.12793	5.0
248.10188	2.7
255.74710	1.3
261.11072	5.3
273.18503	2.6
273.38580	1.9
287.16150	6.2
291.19577	15.8
294.10696	1.7
309.20679	100.0
310.21011	13.8
313.17776	14.7
331.15027	2.3
331.18823	20.6
332.19159	4.3
375.17938	3.2
391.20859	13.3
392.20734	1.8
402.27588	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74471	1.4
51.82641	1.4
57.03415	2.9
58.74561	1.4
59.01374	100.0
59.98508	4.9
61.98827	1.8
69.03439	3.0
70.76309	1.6
70.76654	2.8
71.01364	8.6
89.02425	4.1
92.79610	1.6
93.03442	4.3
96.96003	15.5
99.04502	5.0
101.02442	3.2
113.02421	1.8
113.06066	2.6
113.99322	2.1
119.03498	2.0
119.08614	3.8
121.10199	6.9
125.02406	2.0
125.09669	2.7
127.07642	2.5
127.16099	1.6
129.98811	5.1
135.26842	1.5
137.09682	5.6
147.08189	2.3
161.04549	2.9
171.10152	3.3
181.04742	2.8
185.11737	5.5
193.08421	12.9
194.32257	1.8
207.10016	14.3
209.07988	1.5
217.11984	1.5
219.10011	2.8
244.35477	1.4
245.18962	6.6
249.10948	2.1
270.98996	1.6
271.13174	3.7
275.20090	3.3
285.14590	4.1
285.17593	1.6
291.19653	13.4
292.19815	1.7
295.16727	3.7
295.84634	1.5
297.18362	15.7
311.16174	3.3
313.17801	28.8
329.17261	30.6
330.17697	3.8
331.17828	7.0
364.97415	1.5
375.20139	2.8
377.32031	1.6
391.21353	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	391.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01711	1.0
63.17168	0.7
69.44202	2.4
69.44625	3.6
71.01375	14.0
72.66376	0.7
73.00756	0.8
73.02941	1.8
85.02967	2.1
89.02435	19.1
89.02993	1.2
95.01421	1.0
98.20655	1.5
101.02409	6.3
107.03785	0.7
113.02438	7.5
119.03491	9.1
126.08417	0.8
131.03514	1.1
143.03503	1.7
161.04547	5.2
167.43214	0.8
179.05586	9.2
190.04123	0.7
331.17703	3.3
391.27017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92902	0.5
55.01873	1.1
58.00578	1.0
59.01373	100.0
59.32843	0.5
60.01718	0.9
62.21603	0.5
69.79149	3.1
71.01375	27.2
72.99281	1.1
73.02934	6.7
73.43629	0.6
74.84235	0.6
75.00893	0.9
83.01398	2.3
84.32054	0.5
85.02946	10.7
85.71606	0.5
87.00870	1.5
87.04504	0.8
89.02437	14.1
93.03450	13.6
94.26309	0.5
95.01402	2.3
96.96022	1.8
98.20502	1.2
98.95568	1.2
99.00878	3.6
101.02435	22.5
101.06052	0.8
104.98172	0.5
107.04992	0.7
109.02954	0.6
113.02435	11.6
114.02802	0.6
119.03478	5.9
121.02919	1.2
123.04544	1.4
125.02448	0.8
131.07149	2.1
137.02434	24.0
137.81395	0.6
138.02756	0.8
143.03523	2.3
148.59685	0.5
159.02940	3.0
161.04539	24.0
162.04872	0.9
169.12393	0.9
176.03648	0.5
179.05603	2.3
229.08667	5.4
230.09045	0.8
329.91229	0.6
331.17575	30.0
332.18069	3.6
350.94342	0.6
391.09509	0.7
391.18945	1.1
391.26956	15.3
392.27393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24583	0.5
59.01374	100.0
59.32664	0.5
60.01705	1.3
69.41053	4.0
71.01372	7.9
73.02924	0.6
85.02956	1.6
89.02437	13.4
98.19913	1.2
101.02434	4.9
113.02431	3.3
114.24090	0.7
119.03488	6.0
122.22665	0.5
131.03474	1.0
143.03543	1.2
161.04529	2.2
179.05611	2.6
259.52310	0.5
331.17584	2.6
348.60995	0.7
350.87457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47617	0.4
58.47293	0.4
59.01377	100.0
60.01709	1.0
65.28004	0.4
70.60403	0.4
71.01382	6.1
71.83396	0.3
72.99306	0.6
73.01167	9.6
73.02953	1.1
74.99091	1.3
85.02966	2.0
85.32238	0.4
87.00881	1.2
87.04530	0.7
89.02432	4.9
97.14272	0.4
99.00854	0.6
101.02452	3.5
101.06087	1.3
113.02468	2.2
115.66450	0.4
119.03517	1.7
123.04513	0.7
136.99115	0.5
159.03078	0.4
161.04558	3.0
179.05623	0.8
331.17572	3.3
389.60294	0.4
391.19064	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	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59129	0.5
56.82888	0.6
59.01375	100.0
59.66829	0.5
60.01707	1.2
60.20682	0.5
61.98828	1.2
63.72332	0.4
69.58256	3.5
71.01375	6.7
72.99313	0.8
73.02943	2.0
74.99100	1.6
83.01370	1.3
85.02951	2.8
89.02418	1.1
98.20686	0.9
99.00875	1.3
101.02445	5.5
113.02441	2.8
123.04556	0.9
135.98352	0.9
136.99155	1.5
159.02895	0.6
161.04536	6.2
196.85498	0.5
268.36972	0.5
297.60638	0.7
331.17603	16.8
332.18042	1.2
391.14716	0.9
391.19516	2.3
391.23492	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29303	0.4
59.01374	100.0
60.01715	0.6
69.54772	0.9
69.55176	1.7
71.01384	4.4
73.02953	0.7
78.96571	0.3
81.41685	0.3
85.02924	0.7
89.02441	5.8
93.03445	0.6
95.01372	0.4
101.02438	3.5
108.02178	1.0
109.02956	1.3
113.02425	2.3
119.03494	3.6
135.81094	0.4
137.02448	1.9
143.03545	0.7
161.04651	0.7
179.05537	2.2
281.06607	2.3
305.28842	0.3
331.04639	0.4
331.17606	1.3
342.75644	0.4
391.10452	2.5
392.10785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82864	1.3
54.84267	1.3
57.03437	2.9
57.43983	1.3
58.00598	2.8
59.01374	100.0
60.01702	1.6
61.98836	7.8
71.01373	50.3
71.62322	2.3
72.99284	3.4
73.02937	12.0
74.99088	3.7
75.00855	3.1
83.01371	3.4
85.02946	17.5
87.00874	3.8
89.02431	86.6
89.08438	1.4
93.03447	2.8
95.01382	4.4
96.96001	4.1
101.02429	27.0
103.03987	3.5
106.04256	7.1
113.02423	23.7
114.02750	1.8
119.03487	27.4
121.02944	3.4
123.04491	5.9
125.02402	2.2
127.03947	1.5
131.03473	6.1
135.04482	3.7
136.05327	2.1
136.99132	3.5
137.02386	3.0
138.03159	1.6
143.03499	5.4
149.02422	1.6
149.04565	2.5
151.07628	51.6
152.07089	2.4
161.04538	8.5
169.03285	13.5
179.05585	18.5
191.01953	3.4
191.05560	4.7
193.04955	2.4
259.08066	1.7
324.93500	1.6
373.14920	1.6
391.12030	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03449	0.4
57.62503	0.4
59.01373	100.0
60.01708	1.4
62.50156	0.4
65.00316	3.6
69.53738	0.8
69.54135	1.9
70.45201	0.4
71.01374	4.9
72.99297	0.7
73.02941	1.3
74.99110	1.0
83.01382	2.8
85.02953	2.1
87.00845	0.6
89.02427	3.1
101.02437	4.4
101.47803	0.4
107.01378	4.6
113.02430	1.9
119.03500	1.7
119.05003	2.2
121.02969	1.3
125.02418	0.6
135.98344	0.7
143.03444	0.5
143.05014	2.3
145.02946	5.3
151.00357	11.2
151.01541	0.7
157.06595	0.5
159.02927	0.5
161.04543	4.0
161.06058	2.2
166.59593	0.4
179.05591	0.9
185.06038	4.6
201.10686	0.3
225.05525	0.5
229.05019	62.6
230.05350	4.6
253.04974	0.8
271.06116	1.3
303.81708	0.4
331.17584	7.5
353.01309	0.5
369.06311	0.4
369.76917	0.4
391.10117	3.5
391.14569	0.5
391.18945	0.7
391.23398	1.0
392.10562	0.6
393.01410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01722	1.1
61.98830	2.0
64.07857	0.4
69.78711	1.6
71.01365	2.9
71.01641	0.3
72.11660	0.3
73.02960	0.4
85.02930	0.8
89.02439	3.0
101.02441	2.7
113.02419	1.9
119.03492	1.5
141.64542	0.4
150.03204	0.6
161.04503	0.9
165.05617	0.7
167.03546	0.5
179.05566	0.9
191.05704	0.6
207.06784	0.5
218.81381	0.4
219.02666	0.4
295.06317	0.5
313.10974	0.6
325.11075	0.4
331.17538	2.4
391.19064	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49827	3.4
55.09817	3.3
59.01379	100.0
61.98826	29.6
69.97987	12.5
71.01369	23.9
72.99289	6.4
73.02940	5.1
74.99094	3.4
75.00867	6.6
80.96535	3.7
83.01382	3.3
85.02944	24.6
87.00879	6.3
89.02438	23.0
91.21298	3.3
95.01409	3.6
96.95988	15.8
98.95631	4.0
101.02444	17.5
113.02451	11.2
119.03497	9.7
121.02978	3.7
125.02457	10.2
134.03801	4.3
137.99530	4.3
138.05606	8.2
139.00365	7.7
140.01137	3.9
141.00159	5.1
149.02367	4.0
151.03975	5.2
152.01038	4.7
153.01917	85.9
154.02641	7.6
155.03519	6.6
161.04553	8.6
166.11714	3.5
167.03453	11.6
168.04257	46.0
169.05046	13.4
184.06001	3.3
191.01941	4.3
191.05489	15.7
193.05029	12.2
271.10822	8.2
331.10379	23.1
331.13977	8.8
391.16431	31.4
407.89749	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	391.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	47.4
61.98825	12.5
71.01374	10.6
71.61557	1.8
71.61951	1.7
72.99303	2.6
73.02941	3.7
75.00871	5.0
77.79260	1.2
82.95450	1.6
85.02936	5.6
89.02456	6.3
96.95991	7.8
101.02428	9.0
109.02887	2.0
110.00086	4.2
113.02475	6.7
119.03448	2.0
123.04546	1.7
125.02428	5.5
134.03694	1.4
135.04482	3.1
137.02470	2.1
137.99574	7.8
138.00467	1.4
139.00349	11.1
141.00179	2.5
151.03918	2.0
152.01065	3.1
153.01924	100.0
154.02734	9.8
155.03386	1.6
161.04568	11.7
167.03505	9.1
168.04250	55.5
169.01434	2.1
169.05034	24.4
177.65524	1.3
179.03447	2.1
179.05579	1.8
189.01616	1.4
191.05618	5.1
193.05008	3.2
209.04521	1.4
223.50879	1.6
229.07138	4.1
229.09213	1.4
329.25177	1.5
331.10309	37.2
331.14212	1.8
332.10635	3.2
391.04056	1.5
391.11810	2.4
391.16260	3.0
392.15274	1.4
403.61478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74997	1.2
57.33273	1.4
59.01373	14.0
61.98826	100.0
69.28310	10.1
69.28714	3.6
77.28060	1.4
164.84190	1.8
223.22417	1.6
244.23587	1.7
255.23495	2.3
268.03232	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
63.07181	0.2
63.41677	0.2
69.60563	1.2
71.01386	1.5
72.99330	0.3
73.02947	0.6
76.09398	0.2
79.95734	3.3
80.96510	1.8
85.02954	0.3
87.00880	0.3
94.98064	0.3
95.95240	0.8
96.72900	0.2
96.96000	100.0
97.95286	0.2
97.95885	0.4
98.19931	0.2
99.00855	0.4
101.02436	0.7
113.02447	0.7
121.02946	0.6
122.97569	0.5
138.97070	4.1
143.03456	0.4
149.09692	0.8
150.97049	1.1
152.98701	0.3
164.98610	0.4
168.98138	0.6
180.98108	0.8
182.99495	0.2
217.67970	0.2
222.99173	0.7
223.22987	0.2
241.00200	12.2
242.00578	0.3
259.41757	0.2
285.41904	0.2
293.59335	0.3
391.10629	59.4
392.10904	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	391.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.67712	1.9
61.98821	3.4
62.01189	1.6
63.19006	1.8
67.98979	1.9
71.01364	8.5
71.63731	2.5
73.02944	3.5
75.64680	1.9
79.95717	3.9
85.02956	4.2
89.02434	5.2
93.03438	2.1
96.95987	6.2
101.02422	5.1
113.02422	3.5
119.03473	2.6
120.99613	3.1
121.02925	5.7
121.03767	2.1
139.37418	1.8
154.18153	1.9
161.04570	4.9
229.05092	2.6
229.14525	2.7
331.17548	4.5
391.17438	4.8
391.26895	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	390.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67962	0.5
55.56927	0.6
55.84322	0.6
59.01371	2.8
61.98824	100.0
66.03848	0.7
67.88831	0.6
69.32218	5.2
72.14911	0.6
93.57182	0.5
98.20634	1.3
106.19067	0.6
112.57908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25350	14.5
59.01386	100.0
61.98822	38.8
64.71499	12.9
70.51994	55.2
84.81054	13.8
172.43658	16.4
351.05588	16.7
389.23154	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10069	17.7
56.89516	16.2
57.07253	17.3
59.01377	100.0
61.98819	35.3
70.67957	28.1
70.68302	37.9
72.38257	15.1
90.95584	15.4
135.53123	17.7
153.72646	19.5
187.05052	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	389.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92812	0.9
58.04230	0.8
59.01373	100.0
62.13203	0.8
63.75579	0.9
69.79337	5.1
76.63513	0.8
184.73665	0.9
201.66046	0.9
202.96292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41322	0.4
59.01374	100.0
60.01711	0.9
61.98868	0.6
69.80127	2.1
70.94673	0.4
84.30497	0.4
107.15504	0.4
121.03028	0.5
144.14426	0.4
221.15884	0.4
225.95192	0.4
352.92593	0.5
399.84265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12217	0.2
52.36278	0.3
54.28572	0.2
59.01376	4.6
61.98826	100.0
62.98532	0.3
69.54398	1.9
71.01391	0.4
96.96017	0.5
160.87148	0.2
164.88849	0.2
165.09192	0.8
327.14642	0.3
364.01160	0.3
391.21741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20066	0.5
57.03449	0.4
59.01372	100.0
60.01709	1.2
65.45117	0.5
65.89951	0.4
70.90797	1.0
71.01380	8.4
72.99342	0.4
73.02955	0.8
85.02945	2.3
87.00877	1.0
89.02437	9.7
90.02802	0.5
101.02432	4.7
102.86916	0.4
113.02435	4.1
119.03480	4.4
143.03474	1.1
149.04712	0.4
161.04541	4.5
170.16660	0.5
179.05562	2.9
192.75790	0.4
225.46675	0.4
303.45139	0.4
329.16031	2.9
330.16611	0.6
369.75571	0.5
389.17612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32457	0.6
55.01867	1.2
57.03428	0.8
59.01376	65.2
64.48061	0.6
66.60876	0.6
69.65420	3.6
71.01373	11.4
72.25669	0.7
72.99309	0.7
73.02927	2.8
83.01395	1.6
85.02937	4.3
87.00851	1.5
89.02435	6.0
95.01360	0.9
99.00867	1.0
101.02425	7.8
107.81001	0.6
113.02413	3.8
119.03502	1.8
119.75735	0.6
153.04329	0.7
161.04565	1.1
164.82161	0.6
191.05597	2.1
194.43854	0.6
209.11723	1.2
261.55215	0.7
371.16980	1.3
389.18130	100.0
390.18433	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	389.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03410	0.5
58.00585	1.1
59.01375	35.2
61.98822	1.9
69.03427	0.5
69.53917	3.3
70.96326	0.4
71.01373	18.3
72.99291	1.7
73.02951	2.6
74.99062	0.6
75.00845	0.7
83.01389	2.4
85.02927	2.7
87.00866	0.8
87.04506	60.3
88.04843	1.2
89.02441	5.9
95.04993	0.6
96.95984	0.5
97.02940	0.8
99.00874	1.3
99.04512	3.5
101.02430	10.0
101.06070	100.0
102.06408	2.2
113.02422	3.0
119.03483	0.7
120.99603	0.5
121.02958	0.7
122.81340	0.5
125.02430	1.2
129.05574	13.9
139.11284	0.9
139.45084	0.4
145.04985	0.7
147.48872	0.6
159.06570	1.1
161.04489	2.4
176.11821	0.4
177.07637	0.8
183.06635	0.9
183.10216	2.3
189.07680	6.0
194.91508	0.4
223.08205	0.7
229.14360	0.5
289.06906	0.7
317.19565	0.5
329.10202	1.2
343.12054	0.6
359.11310	1.0
371.11581	0.6
374.13602	0.5
388.66595	1.3
389.14441	64.6
389.25214	2.0
390.14780	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1238
Annotation	Populin
Peak:m/z	Relative Intensity
53.69705	0.3
59.01363	1.0
61.98834	0.3
93.03448	3.0
101.02389	0.3
103.99088	0.3
112.10517	0.3
121.02943	100.0
122.03278	4.0
123.04514	11.5
124.04867	0.7
132.74840	0.3
178.98178	0.3
229.14203	0.5
347.24750	0.3
389.25699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1452
Annotation	Chidamide
Peak:m/z	Relative Intensity
55.01854	4.1
57.03429	2.6
58.00560	2.3
59.01375	92.2
61.98521	2.5
61.98827	48.3
71.01377	58.7
71.62104	2.8
72.99284	3.9
73.02943	15.6
75.00869	11.1
83.01392	10.8
85.02941	26.7
87.00848	8.2
89.02438	32.4
90.98540	2.0
95.01364	5.8
96.95982	7.0
98.95557	3.4
98.96432	1.9
99.00896	7.8
101.02441	43.0
109.02950	2.1
109.11122	1.6
113.02451	21.8
119.03510	13.8
120.99644	20.6
123.66985	1.7
125.02422	1.9
131.03410	2.3
134.03729	2.4
137.02422	24.0
138.03192	2.1
139.02238	16.3
143.03426	2.1
149.04436	1.8
149.06053	4.0
152.04778	11.2
159.02934	2.5
161.04507	8.2
165.09135	2.0
167.07045	4.5
177.02023	1.8
179.03494	2.8
179.05557	3.7
183.10289	2.0
191.05611	11.0
194.05853	1.8
197.04440	2.5
209.08089	3.7
212.06902	16.8
227.03767	7.1
227.07120	2.5
227.09230	42.6
228.09566	3.8
237.06195	11.1
301.16373	2.3
323.92462	1.9
329.12234	5.7
329.15793	2.0
345.11475	3.0
345.15466	29.6
389.09204	11.9
389.14374	100.0
390.10025	2.7
390.14606	11.7
395.15012	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1086
Annotation	Eustomoside
Peak:m/z	Relative Intensity
59.01380	6.2
61.98823	1.8
71.01376	2.8
73.02960	1.0
85.02943	2.1
88.98808	2.5
89.02432	2.0
96.95981	5.6
96.96961	1.1
98.02532	0.9
99.63289	0.7
101.02450	1.3
109.02883	1.3
111.00841	1.2
113.18504	0.9
119.03481	0.9
119.68900	0.7
123.00880	1.7
123.04507	1.7
124.01682	2.0
125.02439	11.1
126.87688	0.7
128.17517	0.7
136.01634	5.4
137.02419	2.5
138.03210	2.0
139.04022	5.9
151.04002	2.9
152.01161	3.4
153.01913	8.1
161.04453	1.1
164.01138	59.6
165.01698	3.3
166.02654	0.7
167.03481	1.6
168.00645	1.7
169.05060	6.3
179.03476	37.4
180.00653	1.1
180.03824	1.9
181.01398	6.4
182.02202	18.1
183.02539	1.0
186.75533	0.8
191.05576	5.3
192.82338	0.9
194.02118	1.1
196.03596	1.0
197.04530	100.0
198.04886	5.0
209.04568	1.2
211.02391	1.4
212.03255	5.2
226.04929	1.6
227.05583	67.4
228.05919	3.4
252.59279	0.9
300.48651	0.9
304.65775	0.9
331.06580	4.4
359.09781	9.4
389.10828	70.8
390.11176	7.1
395.34418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74888	14.1
59.01376	100.0
60.12528	15.6
61.98829	18.5
63.69588	15.4
71.16928	32.9
76.33444	16.5
90.79383	16.1
116.87494	18.1
149.34920	15.0
156.84499	18.2
158.67677	14.3
167.06342	14.2
191.54773	14.9
218.25668	14.2
236.30515	15.8
387.21634	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	387.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	83.4
75.55183	37.4
82.37801	50.5
84.53566	35.8
131.73196	46.3
156.30482	39.2
239.19299	36.4
387.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72636	0.9
59.01375	100.0
59.07979	0.8
60.01707	1.1
61.98819	6.9
70.52122	2.7
95.65900	0.7
100.89635	0.8
109.03020	0.9
119.78907	0.9
193.68721	0.9
214.47559	0.8
225.51173	0.9
235.20631	1.4
253.21637	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	388.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87306	0.7
59.01377	3.1
61.28719	0.7
61.98823	8.2
69.63242	4.5
71.01380	1.2
74.99089	0.8
85.02937	0.9
86.02473	12.3
88.98821	1.1
89.02410	0.9
96.95991	1.3
98.10703	0.8
101.02454	1.4
102.01917	0.8
113.02474	0.9
118.94192	2.9
120.01239	73.0
121.01601	1.5
139.02220	100.0
140.02596	4.0
153.05551	1.9
167.07155	0.7
191.05701	0.8
224.98219	0.9
225.98877	0.9
226.05397	39.7
227.05756	3.4
301.07440	3.6
329.12363	1.8
388.10666	35.6
389.10779	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	387.2019
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01867	5.7
57.03445	6.7
58.00589	2.3
59.01374	54.4
61.98814	1.5
69.03461	2.3
69.35835	8.7
71.01375	100.0
72.01730	1.8
72.99295	3.3
73.02942	30.0
75.00836	2.1
83.01373	12.9
85.02940	40.5
86.00085	2.7
87.00450	1.2
87.00879	12.3
87.04510	1.5
87.11060	1.1
89.02434	24.9
95.01375	8.5
95.09196	0.9
96.95995	2.0
97.02934	3.1
98.20690	1.6
99.00857	12.4
101.02433	68.5
102.02761	1.5
111.00871	2.0
113.02434	46.3
119.03498	7.5
120.99669	2.2
125.02423	2.5
129.01892	2.0
131.03568	1.3
136.01617	1.5
137.02419	1.0
143.03484	3.7
146.03694	1.4
151.04007	3.5
159.02992	10.9
160.03993	3.8
161.04538	67.2
162.04825	1.6
163.11244	6.3
166.02817	1.0
166.05084	5.0
177.05531	1.9
179.05591	2.7
181.12317	2.1
188.03519	2.8
193.08578	1.4
204.02985	1.5
207.10077	1.1
207.13835	8.5
218.04494	3.2
225.14943	1.4
229.12187	1.3
239.11961	1.0
267.11398	2.6
269.09222	1.3
281.05682	2.9
283.10403	1.2
295.07242	1.4
296.08167	1.3
297.17065	1.5
309.08746	1.5
311.10300	21.0
312.10675	2.6
313.10718	1.8
323.52911	1.1
325.16492	7.0
337.08261	2.8
343.13629	1.0
343.17499	6.0
355.09259	14.5
356.09717	1.5
362.00375	1.0
387.11810	4.8
387.16473	4.0
387.20151	53.4
387.23941	4.5
388.20361	7.1
388.24557	0.8
402.62750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1657
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.19324	0.5
55.01873	0.5
57.03422	1.3
58.00581	2.1
59.01369	10.5
60.59865	0.5
69.35364	4.1
69.35782	1.0
71.01363	5.9
72.99313	0.8
73.02941	4.4
77.00685	0.5
77.72816	0.5
83.01387	0.9
85.02936	4.9
86.03734	1.1
87.04496	3.2
89.02435	1.4
95.05035	1.2
97.02937	0.7
99.04513	4.1
101.02421	5.4
107.73488	0.6
108.16117	0.5
113.02454	1.3
121.02926	0.7
123.04481	0.6
125.02489	0.8
127.07657	0.7
134.26228	0.5
135.14403	0.5
137.02402	0.9
153.33342	0.5
161.04498	0.6
163.11261	7.9
164.11513	0.6
177.12761	0.6
181.12315	28.0
182.12634	1.6
195.13882	10.2
207.10205	3.6
223.13353	3.2
225.11287	100.0
226.11632	7.2
239.12891	5.4
267.12314	19.4
268.12592	1.5
271.58627	0.6
279.12457	0.7
297.13284	3.3
327.14456	18.5
328.14783	1.8
343.80594	0.6
358.84348	0.5
387.16565	16.5
387.24033	1.4
388.16724	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
56.89875	1.2
57.03440	2.3
58.00583	2.2
59.01088	2.2
59.01374	31.8
63.11211	1.3
71.01373	14.5
71.62566	1.6
72.99281	1.3
73.02935	23.3
79.95712	1.3
83.01394	2.5
85.02950	5.7
87.00868	1.6
89.02435	9.5
95.01390	2.2
95.83138	1.2
96.96026	3.5
97.06590	1.3
98.46556	1.1
99.00889	1.0
101.02425	12.8
109.02938	1.0
113.02434	5.0
119.03487	5.1
121.02937	3.1
125.02396	1.9
125.09669	1.5
137.02464	1.1
147.08170	2.8
149.09682	8.3
161.04630	1.7
163.11279	3.0
164.08382	1.3
165.09184	58.5
166.09523	3.9
177.05504	1.3
181.06604	1.8
181.12300	3.3
183.04523	1.1
185.11807	3.1
207.10229	4.8
225.05576	15.1
225.11273	18.2
226.05843	2.5
295.19070	2.0
327.14441	100.0
328.14813	10.0
369.22873	2.0
387.16577	4.6
387.23901	22.7
388.11914	1.2
388.16434	18.3
388.24298	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	387.1657
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01379	33.5
60.01705	0.7
60.96634	0.4
65.05116	0.4
69.67190	1.5
69.67620	1.2
70.60796	0.4
71.01379	7.4
72.99292	0.6
83.01345	0.8
85.02944	1.6
89.02438	8.7
95.01357	0.6
101.02439	4.9
113.02437	3.0
119.03470	3.3
154.13962	0.4
163.11288	2.9
195.28490	0.4
207.10237	9.9
208.10583	0.7
369.15732	0.6
387.16574	100.0
388.16904	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	387.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30584	0.7
58.62413	0.6
59.01373	95.1
60.01723	1.0
60.39030	0.6
70.93249	1.9
71.01376	19.3
71.01760	1.4
72.99319	1.2
73.02966	1.1
83.01390	1.2
85.02930	3.7
89.02432	16.9
95.01390	0.9
99.00868	0.8
101.02431	10.9
101.03065	0.9
101.93827	0.6
113.02431	6.3
117.18979	0.7
119.03486	5.9
131.03502	0.7
143.03520	1.1
144.35645	0.6
149.06087	2.4
152.93680	0.9
161.04565	3.4
163.11259	15.5
164.08411	9.2
164.11562	1.1
165.09113	2.3
207.10338	4.3
222.80473	0.7
225.11302	1.1
327.14349	1.7
387.16553	100.0
388.16858	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	387.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84963	0.8
58.00578	1.1
58.30959	0.8
58.81946	0.9
59.01375	68.6
60.01700	1.1
71.01376	14.4
72.99292	1.6
73.02956	0.9
73.71950	0.8
74.76655	0.9
83.36860	1.0
85.02932	3.5
89.02431	12.3
95.01389	0.9
95.05012	1.0
98.19847	2.6
101.02442	8.2
113.02434	4.9
119.03484	3.6
163.11266	22.8
164.11647	2.1
184.14133	1.1
207.10257	3.6
224.50606	0.9
226.63527	1.0
387.16550	100.0
388.16891	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	387.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34720	0.7
51.01665	0.6
56.39612	0.6
59.01376	100.0
60.01733	0.8
60.42820	0.6
69.65188	0.6
69.65526	4.1
71.01381	2.3
85.02949	1.3
87.98370	0.7
89.02433	1.8
96.96016	2.0
101.02451	2.3
113.02447	1.2
119.03458	0.8
121.02946	48.7
122.03305	2.1
145.02991	1.4
161.04474	0.7
191.05592	1.2
225.14998	1.2
238.22487	0.6
348.05737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25874	0.4
56.68500	0.4
58.00594	0.4
59.01378	25.4
69.67800	2.6
71.01387	5.7
73.02912	0.5
83.01407	0.5
84.54595	0.4
85.02929	1.3
89.02432	6.5
89.46250	0.4
101.02439	4.3
113.02419	2.1
119.03497	3.0
130.02353	0.4
161.60532	0.4
163.11282	2.3
179.05554	0.6
207.10231	8.7
208.10649	0.7
312.40274	0.4
369.15454	0.4
387.16562	100.0
388.16904	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	387.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96822	0.3
55.01870	0.3
57.03440	1.4
59.01090	0.7
59.01374	12.1
59.61909	0.4
61.98516	0.7
61.98826	12.0
68.99792	0.4
69.44158	2.4
71.01374	5.6
72.97526	1.3
72.99302	1.4
73.02953	0.7
74.99117	0.3
78.95903	5.1
79.95734	2.8
82.95424	0.3
83.01377	1.3
85.02957	2.7
87.00884	0.8
87.04536	0.3
89.02433	3.4
90.22006	0.3
93.03452	7.3
95.01372	0.4
95.05024	0.4
96.96005	100.0
96.96910	10.4
97.06583	0.3
97.95947	0.3
98.95596	1.3
99.00900	0.8
101.02428	4.6
105.05550	0.7
108.02197	0.5
109.02937	1.0
113.02427	2.2
119.03485	1.7
120.99676	0.6
121.02959	0.9
123.04531	1.8
125.02438	17.1
126.02771	0.7
136.01654	0.9
137.00758	0.7
137.02434	20.3
138.02763	0.8
139.04022	0.7
149.02414	2.2
150.03209	4.2
151.03934	0.6
153.01929	0.5
156.86342	0.4
161.04584	0.7
163.04004	0.4
163.11234	0.9
165.01945	0.5
165.05540	8.0
173.04520	0.3
177.01875	0.9
179.03474	0.7
179.05595	0.3
181.03325	0.3
181.05081	0.5
191.05699	0.3
192.04204	0.9
207.06596	1.9
207.10254	1.4
209.06540	0.4
221.04593	0.4
225.04085	0.9
225.07649	0.5
225.11209	1.6
239.05708	0.8
258.38452	0.3
288.27396	0.3
289.07196	1.9
295.07581	0.3
387.12869	15.8
387.16788	7.1
388.12860	1.9
388.17114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53636	0.4
56.46299	0.4
57.03446	7.3
58.00586	0.7
59.01377	52.3
60.01720	0.7
61.98840	0.6
70.66357	0.9
70.66705	0.6
71.01379	11.4
72.99303	1.0
73.02951	0.5
77.34998	0.4
81.03455	1.3
83.01388	4.8
85.02925	2.2
89.02436	12.5
95.01398	1.2
95.05028	0.9
97.02979	1.5
99.00903	0.9
101.02440	7.5
102.02814	0.4
113.02436	4.4
119.03505	4.3
119.04994	0.7
121.02983	0.6
123.00851	0.4
123.04476	0.6
125.02438	100.0
126.02770	3.9
137.02388	0.6
137.06081	2.0
139.04004	2.0
143.03537	0.4
147.08139	0.9
149.02426	12.0
161.04547	0.6
163.04015	1.0
163.11276	20.2
164.11621	1.0
167.03464	0.7
177.01920	1.2
179.03404	0.5
181.05045	1.4
192.04301	1.7
202.38811	0.4
207.06631	3.6
207.10310	0.7
218.66714	0.4
225.04041	5.5
226.04277	0.4
264.13199	0.4
287.07697	2.8
327.08682	0.4
331.99643	0.5
387.09479	3.7
387.16583	63.8
388.16919	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	387.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53636	0.4
56.46299	0.4
57.03446	7.3
58.00586	0.7
59.01377	52.3
60.01720	0.7
61.98840	0.6
70.66357	0.9
70.66705	0.6
71.01379	11.4
72.99303	1.0
73.02951	0.5
77.34998	0.4
81.03455	1.3
83.01388	4.8
85.02925	2.2
89.02436	12.5
95.01398	1.2
95.05028	0.9
97.02979	1.5
99.00903	0.9
101.02440	7.5
102.02814	0.4
113.02436	4.4
119.03505	4.3
119.04994	0.7
121.02983	0.6
123.00851	0.4
123.04476	0.6
125.02438	100.0
126.02770	3.9
137.02388	0.6
137.06081	2.0
139.04004	2.0
143.03537	0.4
147.08139	0.9
149.02426	12.0
161.04547	0.6
163.04015	1.0
163.11276	20.2
164.11621	1.0
167.03464	0.7
177.01920	1.2
179.03404	0.5
181.05045	1.4
192.04301	1.7
202.38811	0.4
207.06631	3.6
207.10310	0.7
218.66714	0.4
225.04041	5.5
226.04277	0.4
264.13199	0.4
287.07697	2.8
327.08682	0.4
331.99643	0.5
387.09479	3.7
387.16583	63.8
388.16919	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	386.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47439	1.2
59.01374	12.3
61.98516	1.8
61.98823	27.8
66.85445	1.1
68.99805	2.2
71.01378	8.8
71.61962	1.0
71.62400	1.9
71.83942	1.2
72.99302	35.8
73.02915	1.7
74.99097	1.3
75.00838	2.3
76.98233	1.1
78.95877	1.7
80.99631	1.2
85.02970	2.0
87.00878	1.7
89.02441	4.0
91.84918	1.1
93.03437	5.3
96.96004	14.4
96.96954	1.6
98.95590	1.8
101.02449	7.8
108.02145	2.5
108.04545	39.6
109.02950	2.0
109.04889	1.2
113.02396	2.1
115.00302	1.4
117.03432	1.4
118.02977	31.8
118.27442	1.1
119.03357	1.8
119.04987	4.2
120.04519	3.5
121.02946	27.8
123.04508	2.4
125.02418	9.5
134.02467	13.8
134.06122	2.5
137.02412	9.4
137.13399	1.2
144.04539	48.0
145.02962	9.2
145.04880	1.9
149.02448	1.9
150.05540	3.7
151.04019	5.7
152.01105	1.5
161.04472	1.6
162.05597	52.6
163.03995	3.2
163.05894	1.9
164.03468	6.4
165.05533	1.6
167.03465	2.5
171.32033	1.2
174.01614	1.5
181.04991	1.9
188.03497	86.0
189.03888	6.1
191.05560	2.8
206.04546	20.8
207.06531	1.6
222.95860	1.4
224.05582	15.8
225.04105	1.9
323.07306	1.3
350.08572	2.3
368.09457	2.1
369.11789	6.5
386.10895	100.0
387.11649	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	385.2591
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
54.48154	2.1
59.01372	26.9
61.98838	4.0
71.46257	2.2
71.46595	3.2
72.99301	95.2
72.99722	4.9
138.02271	2.5
145.11516	2.5
148.05219	2.6
311.25870	6.5
323.25842	92.5
324.26355	11.8
367.24829	100.0
368.25247	14.2
385.25809	48.6
385.30249	3.5
386.25977	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82571	1.3
54.19749	1.2
59.01375	13.4
61.98824	100.0
71.57783	1.5
71.58107	1.7
71.97330	1.2
89.40650	1.3
97.32365	1.2
120.95113	1.6
163.06036	1.3
163.07780	1.3
163.47601	1.2
167.74666	1.7
311.02451	1.8
322.48251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2226
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01370	10.4
61.98824	7.2
70.95395	1.7
71.01380	1.3
74.02495	0.9
84.32023	0.7
89.02438	1.9
91.04005	2.6
97.06613	1.0
105.94943	0.7
113.16919	0.7
121.02934	1.5
122.03787	1.6
125.02451	2.1
126.03236	0.9
137.02399	1.9
148.05321	1.3
163.07689	1.0
163.32552	0.8
165.01897	1.1
167.14394	4.1
170.29652	0.7
185.31796	0.8
193.16020	1.2
223.20627	1.8
241.04973	1.6
249.18533	8.3
260.64859	0.7
267.19611	100.0
268.19968	9.0
275.16467	10.8
276.16910	1.0
293.17548	67.0
294.17862	7.8
311.18649	12.5
312.18854	1.4
336.07230	0.7
357.13474	1.0
367.21240	8.1
385.12936	1.9
385.22244	76.4
386.22354	8.1
396.54111	0.7
408.46951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78144	1.1
59.01374	18.2
60.28402	1.2
61.98822	11.0
69.73009	2.4
69.73420	3.9
71.01389	6.6
72.99294	1.5
73.02945	2.4
83.01353	2.0
85.02945	11.1
87.00886	3.4
89.02443	3.9
93.03452	8.8
96.96001	14.0
98.19894	2.6
101.02431	3.8
109.02915	1.8
112.26596	1.3
113.02488	2.5
115.00374	1.7
115.92099	1.1
119.05045	5.7
125.02531	1.2
127.00462	1.4
127.04012	2.6
137.02490	1.5
145.02971	1.2
149.02415	8.5
161.02434	2.3
161.04597	1.7
161.06151	1.3
163.03983	7.2
164.04776	4.3
165.09827	1.4
167.03450	1.4
173.04558	6.9
174.01685	14.1
175.02486	2.1
177.23628	1.2
179.03539	1.5
179.07083	2.5
183.80428	1.4
191.05588	100.0
192.05920	3.5
193.01399	2.5
208.03757	3.2
223.06105	9.3
272.21045	1.4
291.84891	1.3
295.08310	1.5
325.09171	8.3
353.08621	6.3
385.07358	1.7
385.11469	41.0
385.16165	7.9
386.11703	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	385.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	39.4
61.98828	7.4
68.20441	3.1
71.01379	11.2
71.62240	4.5
73.02964	3.7
75.28534	3.2
76.95295	2.7
79.95733	6.3
83.01369	4.3
85.02943	10.7
87.00886	9.2
89.02448	16.4
96.96002	45.6
98.95580	5.8
99.92578	8.4
101.02442	8.4
103.09811	3.1
109.02948	4.3
113.02435	6.4
115.00429	5.2
115.69394	2.7
119.03490	5.4
119.05050	4.9
121.02985	14.4
125.02412	3.6
126.05573	6.6
135.04520	7.8
149.02394	34.1
161.02402	9.5
161.05917	3.6
163.04010	6.6
163.07651	3.2
164.04791	32.0
173.04570	3.9
174.01688	49.0
175.02231	2.9
175.46388	3.0
179.03307	3.0
179.07080	17.1
181.04985	3.7
191.05594	7.3
193.01373	6.2
208.03751	12.6
223.06088	62.0
233.76062	3.4
259.02823	16.6
268.80405	3.1
283.68857	3.0
295.08115	9.0
299.16086	2.7
306.13525	5.9
325.09271	12.4
385.11349	100.0
385.16202	28.1
386.08521	4.0
386.11789	4.3
386.16086	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	385.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	58.5
61.98546	9.5
61.98829	86.8
70.47269	16.2
71.01367	27.0
85.02943	19.8
86.53741	7.4
87.00850	8.5
89.02425	28.8
93.03436	10.2
96.96004	23.8
97.33636	7.3
98.95583	9.9
99.92567	7.0
101.02433	16.6
108.04552	9.6
113.02416	14.4
119.03509	10.8
119.05004	89.2
123.22513	7.2
149.02411	23.2
163.03983	100.0
164.04720	16.1
167.68745	7.1
174.01663	22.8
175.07576	9.5
179.05525	13.8
179.07004	10.7
184.49617	7.4
191.05557	25.0
207.02988	13.4
215.30551	6.7
222.05194	8.2
223.06076	35.4
234.02777	7.3
277.39679	9.0
284.74228	7.2
352.30811	7.0
352.79178	7.1
385.11285	83.9
385.16293	42.1
386.11392	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	385.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
57.95813	0.6
59.01374	100.0
66.06087	0.6
69.03439	0.7
69.56413	2.2
69.56818	1.3
71.01381	8.5
72.99300	1.0
73.02953	1.8
83.01365	2.8
85.02959	2.7
87.00861	0.7
89.02427	1.3
93.03463	1.2
95.05025	0.8
97.02941	1.1
99.00893	2.4
101.02442	3.1
104.43110	0.5
109.02959	1.3
111.00914	0.6
111.57536	0.6
112.47535	0.6
112.98828	2.1
113.02450	2.6
121.83992	0.6
122.03745	1.4
125.02435	6.6
127.00374	0.5
134.05679	0.7
137.02428	12.9
138.03223	0.8
142.99843	4.2
148.05296	12.7
149.02342	0.7
149.05713	0.6
150.03218	2.3
151.00331	0.7
151.04089	1.3
159.03001	0.8
161.04538	8.0
161.05844	0.7
163.07632	10.3
164.01192	1.6
165.01897	7.4
173.00954	1.7
174.01675	9.5
175.02490	0.9
177.09192	2.3
179.03514	1.4
180.98026	0.6
191.10829	0.6
205.08681	1.1
205.12364	0.9
211.13411	2.9
219.10243	0.8
247.09865	0.7
263.12833	0.8
267.12378	1.6
269.04593	0.9
278.40845	0.6
287.05667	1.8
288.06491	2.3
301.10760	0.8
307.11963	1.0
341.13910	0.8
343.21255	0.8
367.13913	3.3
385.12924	8.2
385.22467	0.8
386.13303	1.4
396.89560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1289
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
50.13915	1.7
55.01878	1.6
57.03445	10.3
59.01088	2.8
59.01373	38.9
66.75180	1.5
69.03442	4.2
69.41615	13.9
71.01373	18.0
73.02907	2.3
81.03455	8.5
83.01386	13.2
85.02921	4.0
87.04514	1.5
89.02436	25.8
93.03456	8.6
95.01369	4.2
95.05011	7.3
97.02960	8.8
98.12006	2.0
99.04484	6.9
101.02426	11.5
101.45505	1.4
107.05011	3.6
108.02180	2.0
109.02956	8.4
109.06554	2.1
113.02434	9.5
118.98100	2.1
119.03490	8.5
121.02947	12.5
122.03704	6.3
123.00735	1.8
123.04501	4.3
124.01633	2.5
125.02435	72.6
131.03477	2.4
133.10167	2.1
135.04488	5.1
135.11768	5.8
137.02435	100.0
138.02835	2.9
139.03992	58.8
140.04338	3.1
140.58179	1.4
146.03716	19.9
147.04442	2.7
148.05249	2.2
149.02428	2.0
149.05981	3.3
151.03941	7.0
154.02647	1.9
159.04482	7.1
160.05235	1.7
161.02422	2.0
161.04544	3.6
161.05997	3.7
161.09717	9.0
161.13319	1.9
164.01125	27.4
165.01917	84.2
166.02188	3.2
167.03459	38.7
168.03740	2.6
172.05235	5.8
173.06050	18.4
174.03117	8.7
174.06728	4.6
175.03926	4.0
175.07617	36.6
176.04773	9.6
176.08064	1.9
177.01950	13.3
177.09229	1.9
179.03473	24.7
179.10751	32.2
180.11084	1.8
185.06061	2.0
186.06859	2.3
187.03978	2.9
187.07567	10.3
188.04892	2.0
189.05484	2.1
189.09122	5.5
190.02733	4.4
191.03348	4.3
191.07085	2.4
199.07684	4.1
200.04726	7.0
200.08479	1.7
201.05449	4.8
201.09163	13.1
202.06262	2.5
203.07103	16.9
203.10788	4.2
204.04231	4.1
205.08658	7.1
205.12311	15.8
209.05951	1.9
211.03978	2.9
212.04797	2.1
215.07036	2.2
217.05090	2.9
217.08649	19.4
219.10098	2.5
223.07730	2.9
223.09724	18.3
224.10178	2.6
225.05473	3.7
229.08644	34.2
230.08971	4.7
237.09088	2.0
239.06985	2.1
239.10732	4.7
240.07906	3.1
241.08611	5.9
244.07245	3.4
247.09778	11.3
252.07793	3.0
253.12332	2.0
255.10170	5.2
257.11740	2.7
269.07968	2.2
273.11249	2.4
281.11899	7.7
283.09714	4.6
288.06360	3.0
294.08978	4.6
295.12567	1.8
297.11249	6.0
298.11786	1.9
299.12885	9.3
323.12796	27.6
324.13156	4.4
325.12909	2.4
341.10156	3.4
341.14029	4.6
349.10867	3.6
367.11795	63.9
368.12189	9.8
383.75296	1.9
385.12891	34.0
385.17877	3.0
386.13660	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.129
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
57.03439	16.0
59.01373	10.8
68.52559	1.6
68.70836	1.5
69.03458	4.0
69.39105	15.8
70.12556	1.9
71.01381	3.9
74.99088	1.9
81.03462	9.1
83.01380	11.1
83.05007	2.1
93.03440	7.2
95.01373	1.8
95.05025	7.4
97.02944	10.7
99.04503	3.7
102.98597	5.8
107.05042	4.5
109.02954	5.3
120.02181	2.2
121.02936	6.9
122.03735	6.6
123.04510	23.7
124.01672	4.1
125.02440	82.9
125.07941	1.6
126.02779	4.6
133.02887	1.8
134.96451	2.0
135.04503	3.1
137.02429	100.0
138.02803	3.7
139.04015	3.1
145.06554	2.2
146.03711	25.2
147.04407	3.9
149.06091	3.0
151.03992	8.3
153.05562	28.7
154.02702	1.9
157.06563	1.8
159.04471	8.1
161.02515	2.2
161.06099	3.3
164.01135	35.8
165.01920	90.3
166.02303	3.8
167.03473	40.7
172.05243	3.3
173.06061	18.7
174.03203	9.8
174.06833	9.3
175.03983	3.6
175.07626	45.1
176.04796	10.8
176.08000	3.8
177.01891	13.9
179.03458	23.8
185.06023	3.4
186.06819	2.1
187.04004	5.6
187.07582	11.5
188.04779	3.9
189.05629	2.2
189.09178	8.0
190.02676	7.3
191.03520	3.3
191.07195	2.6
199.07718	2.3
200.04765	7.2
201.05498	8.0
201.09196	8.7
202.06294	3.1
203.07106	19.7
204.04254	3.7
205.08652	10.5
211.07683	2.2
212.04654	2.3
213.09149	2.6
215.07162	3.2
217.08672	21.9
218.05699	2.6
218.08983	2.0
223.09660	2.5
225.05510	4.1
226.06322	3.5
229.08658	39.0
230.08992	2.8
232.43243	2.0
237.09175	2.2
239.07196	2.8
239.10800	3.7
240.07832	2.8
241.08618	6.9
247.09708	11.8
252.07947	3.0
253.12175	1.9
254.09399	2.9
255.10254	4.8
255.14163	3.1
256.10983	2.2
257.11807	5.5
268.07410	4.0
270.09027	2.2
273.11206	2.2
279.10400	2.2
281.11887	7.8
283.09717	6.7
284.10208	1.8
288.06476	4.7
294.08963	5.6
295.09695	2.4
295.13065	2.0
297.11349	8.0
299.09521	2.0
299.12640	9.0
301.10693	3.8
323.12836	33.5
324.13303	2.2
341.13947	4.6
349.10800	4.8
367.11789	86.5
368.12119	8.0
385.12753	42.5
385.17435	3.0
386.13269	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	385.1137
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.40348	0.4
53.63153	0.4
53.83906	0.4
54.54620	0.4
57.03451	0.9
59.01377	4.9
61.98813	0.8
63.34068	0.4
66.03671	0.4
67.76437	0.4
69.03458	0.5
71.01373	3.6
73.02940	1.1
77.92319	0.4
81.03455	1.0
85.02937	2.3
86.78413	0.4
87.04507	4.1
89.02467	0.6
93.03442	0.7
95.01363	1.3
96.95991	0.8
99.00856	0.8
101.02433	1.8
108.02164	100.0
109.02979	21.8
109.09875	0.4
110.03300	0.5
113.02449	2.2
120.99670	1.2
121.02943	1.2
123.00900	0.7
123.04509	1.3
125.02439	1.1
133.02963	0.8
135.04518	0.8
137.02405	1.5
141.09160	0.6
145.02959	0.7
151.03989	1.4
151.11314	0.6
152.01137	57.1
153.01933	17.1
153.09155	1.3
154.02226	0.8
159.02963	0.6
161.04494	1.7
163.03947	1.1
165.01918	1.7
165.09200	2.9
167.03465	1.0
168.67244	0.4
175.07619	0.6
179.03441	0.7
179.10770	3.0
187.11189	0.5
205.12329	2.0
208.11160	0.6
223.13382	3.7
229.08652	0.5
255.10513	1.2
261.14041	0.4
385.11340	65.8
385.19009	1.8
386.11667	7.4
386.19174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61884	0.5
54.97621	0.6
55.01872	1.0
57.03437	2.0
57.06775	0.5
58.58714	0.6
58.92838	0.5
59.01374	10.6
65.85881	0.6
67.01890	2.0
68.99806	3.2
69.03461	1.7
69.26541	3.2
69.26960	1.9
71.01376	8.7
72.99291	1.1
73.02963	0.7
75.00831	0.6
83.01398	1.4
85.02938	8.1
87.00878	2.4
88.34260	0.5
89.02448	4.4
90.45395	0.6
91.03993	1.5
91.05527	0.6
91.49709	0.6
93.03487	0.6
95.01370	2.7
97.02866	0.5
99.00887	1.1
101.02441	1.9
103.04005	0.6
106.77828	0.5
111.00867	2.2
113.02432	6.3
119.03510	0.9
121.02946	100.0
122.03284	3.8
123.04504	1.2
129.01929	1.3
137.02422	1.7
139.00349	1.4
161.04567	1.2
169.05077	0.6
179.03421	0.7
187.11092	0.7
190.83913	0.5
205.12312	1.0
223.13446	1.0
231.05026	1.4
249.06233	0.6
263.07678	27.8
264.08142	1.1
267.07141	2.2
323.18524	0.6
353.08844	0.8
385.11334	25.2
386.11526	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	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40348	0.4
53.63153	0.4
53.83906	0.4
54.54620	0.4
57.03451	0.9
59.01377	4.9
61.98813	0.8
63.34068	0.4
66.03671	0.4
67.76437	0.4
69.03458	0.5
71.01373	3.6
73.02940	1.1
77.92319	0.4
81.03455	1.0
85.02937	2.3
86.78413	0.4
87.04507	4.1
89.02467	0.6
93.03442	0.7
95.01363	1.3
96.95991	0.8
99.00856	0.8
101.02433	1.8
108.02164	100.0
109.02979	21.8
109.09875	0.4
110.03300	0.5
113.02449	2.2
120.99670	1.2
121.02943	1.2
123.00900	0.7
123.04509	1.3
125.02439	1.1
133.02963	0.8
135.04518	0.8
137.02405	1.5
141.09160	0.6
145.02959	0.7
151.03989	1.4
151.11314	0.6
152.01137	57.1
153.01933	17.1
153.09155	1.3
154.02226	0.8
159.02963	0.6
161.04494	1.7
163.03947	1.1
165.01918	1.7
165.09200	2.9
167.03465	1.0
168.67244	0.4
175.07619	0.6
179.03441	0.7
179.10770	3.0
187.11189	0.5
205.12329	2.0
208.11160	0.6
223.13382	3.7
229.08652	0.5
255.10513	1.2
261.14041	0.4
385.11340	65.8
385.19009	1.8
386.11667	7.4
386.19174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
58.00584	0.8
59.01374	12.0
61.32907	0.5
67.01886	1.8
68.99810	2.5
69.03445	1.1
69.50306	1.1
69.50716	3.5
71.01379	10.3
72.99299	1.3
73.02961	0.7
75.00867	1.8
83.01366	1.3
85.02934	9.7
87.00866	3.4
89.02455	3.9
91.04004	1.8
91.05550	1.9
93.03449	1.3
95.01386	2.7
97.03007	1.0
98.19825	0.7
99.00878	1.7
101.02438	2.3
110.52492	0.7
111.00877	2.1
113.02440	9.6
117.03457	0.7
121.02945	100.0
122.03268	4.0
129.01945	0.8
135.04500	1.7
137.02400	1.1
139.00354	1.3
142.44484	0.6
143.03467	0.6
152.17850	0.7
153.09373	0.7
157.01405	1.1
179.03427	1.2
195.32330	0.7
203.70677	0.7
204.29906	0.6
205.12279	1.4
223.13544	0.9
231.05043	2.7
249.06134	3.7
263.07669	26.2
264.08090	1.7
265.09317	1.5
267.07184	12.6
274.67453	0.7
348.20633	0.6
385.11285	29.2
386.11710	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01373	85.2
60.01711	1.4
61.98819	20.6
69.36813	7.7
71.01371	49.1
71.04993	3.1
72.99292	5.5
73.02943	29.7
75.00865	91.0
75.35854	1.1
78.95892	7.5
79.95745	2.8
82.95396	3.8
83.01366	2.8
85.02940	11.1
86.99680	1.1
87.00860	5.3
87.04504	79.2
88.04833	2.1
89.02431	14.3
93.03447	40.9
95.01369	1.8
96.96003	100.0
96.96920	17.7
97.02956	2.4
98.02465	4.4
99.00868	3.9
99.04510	3.6
101.02431	23.8
101.06070	77.7
102.06420	2.9
105.01930	2.1
113.02444	14.6
117.03430	8.0
117.05566	17.2
119.03493	7.9
119.05011	74.9
120.05332	2.2
121.02932	2.3
121.06590	7.2
129.05563	12.7
131.03435	2.3
133.02911	2.1
133.05035	4.4
133.06625	1.5
135.04498	2.7
137.02412	5.3
143.03439	2.6
145.02982	8.7
147.04478	1.8
147.06566	2.5
149.06050	14.4
150.06435	1.3
151.04066	1.8
151.06107	11.4
158.06003	1.2
159.06516	4.2
159.61397	1.3
161.02469	6.7
161.04541	11.9
163.03984	48.3
164.04422	4.1
175.06142	2.4
176.07115	1.7
177.01912	2.6
177.05531	23.1
177.07553	4.7
177.92181	1.2
178.06154	1.7
179.03473	3.2
179.05568	3.1
179.07031	1.7
183.06523	1.8
189.07695	10.1
191.03462	2.1
191.05450	1.9
193.04910	1.4
203.03529	1.8
203.05333	2.7
207.08763	1.3
211.51895	1.2
217.07156	4.3
221.04518	41.3
223.08226	1.9
249.09749	2.7
265.07092	2.4
277.07220	1.5
279.10782	2.9
292.38950	1.2
293.12411	1.7
295.10593	7.5
323.17117	13.3
325.09198	4.7
341.10541	1.4
383.01758	2.0
383.09808	38.7
383.15289	8.1
384.09973	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31414	5.7
57.03434	6.9
59.01379	50.1
61.98825	18.5
71.01378	47.3
71.58120	13.3
72.99339	6.8
73.02936	5.4
75.00878	60.5
76.11222	5.8
85.02949	12.5
87.00887	27.7
89.02439	20.9
93.03438	12.3
96.96008	37.5
99.00892	6.5
99.71512	5.7
101.02426	15.5
108.55250	5.4
113.02454	13.6
113.83210	5.3
115.05540	8.8
119.05015	38.8
130.06635	8.8
131.07048	12.3
132.04530	21.7
133.04897	19.0
135.04507	8.1
149.06050	8.9
151.07530	7.2
158.06122	87.9
159.06454	96.6
161.02399	10.8
163.03989	15.2
174.05583	7.0
179.03513	9.9
200.93181	6.2
202.05022	28.7
203.05388	47.2
203.10759	26.2
220.06021	6.3
221.04541	21.2
221.06516	9.4
221.11783	26.0
225.11247	9.1
250.06372	11.4
383.11197	100.0
384.12299	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	383.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.6
61.92867	1.1
61.98826	6.4
64.91276	1.2
67.20944	1.2
68.28425	1.1
69.94997	2.6
69.95408	3.8
71.01372	5.6
73.02911	1.4
75.00855	4.6
80.23847	1.1
85.02945	2.6
89.02406	2.1
96.96005	3.9
101.02427	2.7
113.02441	2.0
114.55412	1.4
117.03455	24.0
119.05020	9.3
123.04501	1.3
127.00322	1.4
135.04503	9.1
137.21991	1.4
145.02933	100.0
146.03259	4.4
163.03981	9.6
179.03479	7.6
180.03908	1.2
237.06065	6.5
284.08704	1.3
344.08295	1.2
383.13782	38.0
384.13840	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	383.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
59.38409	0.3
65.66687	0.3
71.01377	3.2
71.62883	0.3
73.02937	1.4
75.00856	0.3
83.01366	0.6
85.02973	1.6
89.02427	0.5
99.00803	0.3
101.02431	3.1
104.25504	0.3
113.02445	1.2
113.70120	0.3
117.03455	23.4
118.03796	1.1
119.05006	5.3
120.59914	0.4
121.02951	0.3
137.02425	0.7
145.02937	100.0
146.03278	5.6
161.04495	0.5
163.03990	7.9
164.04303	0.5
182.56728	0.4
344.78055	0.4
383.13394	42.0
384.13690	4.8
386.73828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
59.01372	6.7
61.98821	3.3
69.03487	0.4
70.59460	0.9
71.01379	3.9
73.02956	1.7
75.00858	0.6
78.91880	1.2
79.95728	0.4
83.01387	1.1
85.02921	2.0
87.00889	0.5
87.16037	0.4
89.02450	0.9
95.95228	0.4
96.96000	2.1
98.95554	0.5
99.00854	0.6
101.02425	3.4
101.63644	0.3
107.28089	0.3
113.02451	1.6
117.03454	23.8
118.03808	1.4
119.05009	5.5
120.99625	0.6
121.02914	0.6
125.02452	0.5
127.00366	0.4
133.02939	1.8
135.04533	0.6
137.02422	0.6
145.02934	100.0
146.03275	5.3
147.03464	0.8
150.86317	0.4
154.00967	0.5
155.50179	0.5
161.02426	5.0
161.04587	0.6
163.03990	8.5
179.03380	0.4
195.26874	0.3
203.07097	0.4
251.07417	2.1
295.06506	0.6
301.92581	0.4
382.61200	1.7
383.13400	46.2
384.13635	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.12826	0.3
55.21152	0.3
56.56133	0.3
57.03454	0.5
59.01374	11.5
61.98830	0.3
69.39000	0.3
71.01380	5.5
72.99281	0.4
73.02937	2.0
75.00872	0.4
83.01408	0.9
85.02948	2.9
87.00888	0.4
89.02438	0.9
96.96001	0.5
99.00854	0.6
101.02443	4.5
113.02440	2.0
117.03459	23.6
118.03802	1.3
119.05024	5.4
120.05315	0.3
125.02448	0.7
127.00381	0.4
137.02420	0.5
137.09700	1.8
145.02945	100.0
146.03270	5.7
161.04521	1.0
162.06841	0.5
163.03998	7.9
163.11288	1.9
187.07692	0.5
197.91434	0.3
203.10762	3.5
215.62697	0.3
221.11771	1.3
223.91357	0.3
237.09677	0.4
251.07381	0.4
267.11597	0.3
365.16223	0.5
383.13351	41.3
384.13702	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
56.57293	0.4
57.03442	0.6
59.01375	5.3
59.17335	0.5
71.01371	5.1
71.05015	0.9
71.62448	0.8
72.99308	0.5
73.02937	2.5
75.00827	0.5
83.01384	1.6
83.04997	0.5
85.02950	3.4
87.00874	0.7
89.02432	1.7
93.03449	4.6
95.01391	0.9
96.96004	2.3
99.00894	0.8
99.04447	0.5
100.01243	0.5
101.02439	4.0
101.06068	1.0
113.02472	2.2
117.03458	22.5
118.03792	1.1
119.03553	0.4
119.05023	5.0
125.02395	0.7
127.00349	1.5
133.02939	0.6
136.01668	0.7
137.02434	9.0
145.02937	100.0
146.03276	6.0
151.03835	0.5
159.02884	0.5
161.02434	1.1
161.04543	0.7
163.03993	7.3
179.07053	0.5
179.60675	0.5
188.08362	0.7
203.10739	5.8
204.11238	0.5
221.08246	0.9
221.11731	0.7
287.63986	0.4
337.89090	0.5
357.70648	0.5
383.13412	62.8
384.13782	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	383.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	33.0
61.98831	14.3
70.00999	9.7
71.01367	15.8
73.02943	6.9
73.82390	2.1
75.00865	6.9
82.95412	2.9
83.01368	2.7
85.02934	6.8
86.25735	1.9
89.02451	6.4
92.40098	2.0
93.03465	3.9
96.96008	30.8
99.00849	3.0
101.02422	12.9
107.01382	2.9
113.02435	3.4
117.05633	2.5
119.03437	2.4
119.05019	6.8
133.02922	4.9
134.04660	2.8
135.00876	2.2
161.04549	4.5
163.03966	6.3
176.01132	20.2
177.01910	100.0
178.02234	5.2
192.57492	2.1
221.04474	3.7
251.11331	11.2
323.17053	5.1
383.10425	3.0
383.14987	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.3
61.98817	2.4
71.01385	3.6
71.62689	0.4
72.99287	0.3
73.02942	1.4
74.54214	0.3
75.44048	0.3
78.91885	1.1
81.71368	0.3
83.01393	0.6
85.02930	1.8
87.00897	0.3
88.27489	0.3
89.02424	0.5
89.68264	0.3
93.03441	0.4
95.01403	0.3
95.95241	0.5
96.96000	2.8
98.95583	0.7
99.00880	0.9
101.02438	3.4
113.02448	1.6
117.03458	23.7
118.03827	1.0
119.05015	5.4
120.05336	0.5
120.99687	0.4
121.02997	0.5
125.02436	0.5
133.02962	0.8
135.04512	0.4
137.02397	0.8
139.50827	0.3
145.02940	100.0
146.03275	5.6
147.03575	0.3
154.00940	0.4
154.31537	0.3
154.52885	0.3
159.03000	0.3
161.02455	2.2
161.04582	0.4
162.98720	0.3
163.03996	7.7
164.04262	0.3
221.11861	0.6
251.07397	1.5
295.06305	0.6
382.61038	2.2
383.13409	45.5
384.13702	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	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41697	0.6
59.01375	28.0
61.98825	11.5
62.12785	0.6
70.22990	0.7
70.23429	0.7
71.01375	24.4
71.05026	1.5
72.74278	0.6
72.99300	2.4
73.02938	8.7
75.00867	100.0
76.01212	1.5
78.95898	0.8
82.95399	4.0
85.02932	3.0
87.00864	1.8
87.04501	3.8
89.02438	10.0
90.02768	0.6
93.03450	43.1
94.03769	1.6
96.95997	16.8
96.96964	1.5
99.00813	0.7
99.04494	0.7
101.02441	3.2
102.02654	0.7
103.03977	1.1
105.01929	0.9
106.04234	1.0
107.62325	0.7
113.02442	2.4
113.99590	1.6
115.00347	0.9
117.03448	7.7
117.05569	19.3
119.05017	83.7
120.05356	4.4
121.02991	0.9
121.06582	7.6
122.06973	0.7
125.02418	0.9
130.06599	1.2
131.05008	1.0
131.06958	2.0
133.02946	1.0
133.06564	1.1
135.04512	1.9
137.02448	2.1
145.02943	9.1
147.04475	1.2
147.06630	3.0
149.06064	16.8
158.06059	1.0
159.04460	0.8
159.06416	1.3
159.51537	0.6
161.02449	3.8
161.04521	3.7
163.03992	50.6
164.04387	2.8
176.07094	2.2
177.05554	26.3
177.07385	2.8
178.06084	1.4
179.03481	1.6
179.07158	0.7
191.03479	1.0
191.05533	1.3
207.08742	4.2
221.04529	44.8
222.04878	2.5
223.08281	1.4
225.39343	0.7
253.73564	0.8
262.04651	0.8
263.05792	1.2
265.07126	2.2
277.06955	1.5
293.12317	1.8
295.08215	0.9
323.16843	1.3
325.09302	4.3
383.09772	42.4
384.09998	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	383.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82080	0.5
57.03432	1.6
59.01374	2.4
67.01902	0.8
71.01366	1.6
71.61262	0.9
71.61967	0.5
75.00844	0.6
75.35345	0.5
85.02946	9.1
87.00863	2.4
88.78109	0.5
93.03445	2.9
96.96037	0.9
98.12259	0.5
99.00862	1.0
101.02379	0.7
111.04492	0.9
112.98811	1.6
113.02374	0.6
127.04037	1.3
129.01924	2.3
173.00861	1.2
173.04594	0.6
191.01933	2.4
191.05589	100.0
192.05904	3.9
285.04782	0.5
383.09769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78607	0.3
59.01374	100.0
60.01706	1.1
62.28491	0.3
67.47516	0.3
71.01377	0.5
71.62942	0.3
78.22649	0.3
93.03455	4.7
96.96004	0.6
99.44188	0.3
109.49956	0.3
113.02454	0.6
119.05051	0.4
137.02435	10.9
138.02824	0.5
151.03979	0.4
281.06656	3.4
323.07761	0.4
399.93835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0979
Annotation	Isofraxidin glucoside
Peak:m/z	Relative Intensity
51.37641	0.6
57.03443	0.7
59.01372	28.1
60.01717	0.7
61.39294	0.6
61.98825	9.9
71.01372	25.3
71.05009	2.5
71.61871	0.9
72.01724	0.6
72.99297	2.1
73.02941	10.9
75.00864	100.0
76.01197	0.9
78.95897	1.1
82.95396	3.3
83.01369	0.8
85.02943	1.9
87.00883	1.5
87.04502	2.7
89.02435	5.5
93.03444	48.8
94.03767	1.6
96.96003	19.6
96.96980	2.0
99.00839	1.0
101.02441	3.4
101.45956	0.6
105.01890	0.6
106.04243	1.0
107.05022	1.1
112.98804	0.6
113.02451	2.0
113.99599	1.2
117.03448	8.0
117.05567	18.8
118.05917	0.7
119.05010	87.6
120.05312	3.6
121.06569	8.6
125.02407	0.9
129.05568	0.8
130.06628	1.0
131.07013	0.7
133.02946	1.6
133.04962	0.9
133.06555	1.6
135.04509	2.0
137.02431	1.1
138.03171	0.9
145.02936	9.1
147.06635	2.9
149.06058	16.2
150.06398	0.8
159.06442	1.4
161.02460	3.8
161.04526	2.5
163.03989	53.3
164.04312	3.2
176.04793	0.7
176.07152	1.5
177.01976	1.0
177.05554	27.2
177.07303	1.5
178.05977	1.8
179.03481	1.6
191.03470	0.9
191.05492	0.7
203.03607	0.9
203.05411	0.9
205.05115	0.6
207.08658	1.9
221.04514	49.2
222.04892	3.2
223.08109	0.6
237.09813	0.9
263.05591	1.3
265.07211	1.5
279.10959	0.8
291.10809	0.8
293.12460	1.9
295.08182	1.4
300.52905	0.6
323.16846	1.7
325.09238	5.6
383.09781	41.6
384.10040	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	382.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11145	0.3
58.94044	0.3
59.01374	100.0
60.01704	1.4
69.82079	2.1
125.32658	0.4
311.86938	0.4
322.27545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32061	0.3
54.17738	0.3
59.01373	6.0
60.41848	0.3
71.01379	0.3
71.63600	0.5
79.95732	2.3
85.40892	0.3
93.03443	0.8
96.96001	100.0
101.02444	0.4
117.03424	0.5
120.99654	1.2
137.02469	1.7
137.09698	4.7
145.02950	1.5
146.03285	0.6
179.05394	0.5
204.22737	0.3
221.08253	0.5
225.55617	0.3
235.11586	11.0
236.11877	1.1
239.05583	0.4
253.09105	1.3
281.06674	0.4
285.04102	0.9
285.41815	0.3
301.03476	0.6
303.04520	0.4
323.13144	3.8
324.13623	0.6
380.00934	0.3
382.15994	0.9
383.00754	0.4
383.16324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96073	0.8
59.01372	38.0
60.01711	0.9
61.98821	12.3
71.01376	25.5
71.05006	1.9
72.99287	2.4
73.02942	19.0
75.00864	96.4
76.01199	0.9
78.34003	0.7
78.95896	9.1
79.95732	3.0
82.95406	3.0
83.01352	0.9
85.02952	3.8
87.00868	2.4
87.04531	4.3
89.02441	7.0
93.03446	45.4
94.03784	1.9
95.16896	1.0
96.96001	100.0
96.96922	18.3
98.02456	4.4
99.00883	1.2
99.04509	0.9
101.02443	4.5
101.06075	1.5
105.01919	1.1
106.04212	1.1
112.98793	0.7
113.02426	2.6
113.99532	1.2
117.03457	7.9
117.05570	14.1
119.05012	86.9
120.05351	3.6
121.06590	8.2
125.02424	1.1
130.06593	0.8
131.05089	0.9
133.02951	1.8
133.06541	1.1
135.04535	1.9
137.02434	2.3
145.02921	10.3
147.06586	1.8
149.06068	15.5
150.06422	0.9
159.06490	1.3
161.01143	0.9
161.02397	4.6
161.04497	3.4
163.03987	49.7
164.04379	3.5
176.07121	1.4
177.02011	1.0
177.05554	22.8
177.07182	1.5
178.06006	1.4
179.03493	1.7
191.03560	1.2
191.05469	0.9
194.91202	0.8
205.04982	1.4
207.08636	1.4
216.43645	0.8
221.04529	42.2
222.04874	3.0
223.08249	1.4
237.09747	1.1
250.45047	0.8
263.05521	1.7
265.07101	1.9
279.10858	1.1
291.10779	0.8
293.12192	1.5
295.08145	1.9
323.16998	3.1
325.09244	5.6
383.09818	40.9
383.14145	1.4
384.10123	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	382.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43766	0.5
57.03445	0.7
58.00591	0.9
59.01373	23.6
61.98813	4.7
71.01373	11.8
71.05014	1.3
71.61997	0.6
71.62399	0.8
72.01714	0.6
72.99296	1.3
73.02941	2.4
73.39051	0.5
75.00867	24.0
82.19003	0.5
83.01389	1.2
85.02954	3.1
87.00869	17.3
87.04523	1.7
89.02440	8.2
93.03444	3.6
95.01385	1.1
95.41054	0.6
96.95998	11.5
99.00900	0.6
101.02429	5.6
103.30862	0.5
109.35282	0.5
113.02439	4.6
115.05529	5.8
116.05070	3.5
117.03474	0.6
117.05579	14.2
119.03489	2.3
119.05029	5.4
120.99650	1.3
121.06554	0.9
125.02406	0.7
128.04967	0.6
130.06625	9.5
132.04544	27.2
133.04970	1.6
135.04518	0.8
144.04492	1.4
145.02972	0.8
149.06061	1.8
157.05307	1.3
158.06097	100.0
159.06479	6.0
161.02419	2.3
161.04568	1.1
163.03996	3.3
174.05557	4.1
175.02660	0.8
176.03514	3.5
176.07162	1.8
177.05528	3.1
182.05481	0.8
191.05627	1.0
202.05074	42.5
203.05423	3.3
220.06099	7.7
221.04486	2.5
221.06390	0.8
237.06160	5.9
249.06140	10.8
250.06564	0.6
262.07187	1.0
323.16928	3.0
345.73682	0.7
364.10196	0.7
382.11374	66.7
383.11011	7.2
385.29312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01374	2.2
61.98826	100.0
65.00314	0.6
71.01395	0.6
71.62880	0.9
81.03416	0.6
83.01380	2.0
85.02962	0.9
87.00890	0.9
93.03511	0.8
107.01392	1.8
109.02943	1.4
109.31702	0.5
114.52506	0.5
121.02950	0.9
123.00871	1.1
125.02438	15.7
125.03287	1.0
126.02781	0.7
127.00330	0.9
135.04550	1.3
137.02414	2.8
139.03990	1.7
145.02956	2.0
151.00345	5.7
152.01103	1.3
153.01939	5.4
165.01894	2.7
167.03484	1.8
175.00352	8.2
176.00850	1.0
178.99852	7.4
181.01418	1.0
191.03523	4.2
191.05031	0.6
193.01398	49.4
194.01782	2.6
215.03505	2.3
233.04430	0.8
257.04617	2.1
301.03534	6.5
302.03790	0.7
304.78976	0.6
319.04590	8.2
320.04916	1.2
383.14444	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	382.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62713	0.5
55.67628	0.5
59.01376	13.8
61.98814	1.0
62.40319	0.5
70.66476	1.8
71.01374	9.0
72.99293	1.2
73.02955	1.2
75.00871	19.5
80.37621	0.5
82.79482	0.7
85.02950	3.5
87.00865	15.3
89.02431	4.8
93.03469	1.2
94.45953	0.5
96.96004	1.3
97.73752	0.5
98.20622	0.8
99.00890	0.8
101.02432	5.4
113.02456	3.1
115.05524	5.5
116.05032	3.1
117.01947	1.4
118.61667	0.6
119.03497	1.2
119.05024	2.0
127.00418	0.6
128.05017	0.7
130.06609	8.3
132.04549	25.3
133.04858	1.1
133.06590	0.6
144.04530	1.5
146.06055	0.8
157.05373	1.0
158.06105	100.0
159.06458	6.7
161.04581	0.6
163.03975	0.9
163.07578	0.6
169.93143	0.6
174.05595	3.9
176.07146	1.1
179.10716	0.7
202.05084	45.0
203.05449	3.3
203.10777	1.8
218.08203	0.6
220.06125	7.6
221.11754	1.8
237.06114	8.2
249.06102	11.1
250.06458	0.9
262.07187	1.3
382.11371	64.3
383.11530	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	381.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01712	1.0
69.77120	1.0
69.77535	1.0
71.01373	4.8
73.02940	1.6
83.01368	0.6
85.02918	2.0
87.00889	0.5
88.17936	0.4
89.02457	1.2
95.01398	0.4
96.96009	4.3
98.20596	0.7
99.00899	0.7
101.02433	4.9
113.02419	2.3
117.48621	0.4
119.03476	0.5
128.94469	0.4
129.02068	0.4
130.26051	0.4
142.71097	0.4
143.03534	0.6
145.02997	0.4
155.49771	0.4
159.02982	0.8
161.04543	6.8
237.92671	0.4
241.30869	0.4
321.19095	9.5
321.22693	0.5
322.19537	0.9
381.16360	1.6
381.67798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	1.3
59.01373	18.8
59.34190	0.8
71.62811	1.1
89.02393	0.8
91.41292	0.9
92.71152	0.8
92.83675	0.8
97.13560	0.7
99.63045	0.9
139.86020	0.8
145.34233	0.9
170.54723	0.8
217.00232	3.3
226.34854	0.8
251.23724	1.1
253.25406	4.3
281.24716	1.2
295.17773	0.8
299.25873	100.0
300.26175	12.1
319.22345	2.4
321.23969	2.5
337.27371	1.5
339.23959	1.5
365.22876	2.6
381.26108	23.9
382.25891	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	381.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35287	0.6
59.01374	4.6
60.68958	0.7
61.98811	1.4
68.68081	0.7
71.01358	0.8
71.04998	0.8
71.18913	1.5
71.19254	0.9
126.26170	0.6
128.20218	0.6
130.06870	0.7
151.11272	1.1
153.12805	3.0
155.14374	0.7
163.11299	2.0
165.12843	3.4
170.05833	2.9
174.99117	0.9
179.10765	11.4
181.12318	34.6
182.12614	1.7
192.11546	0.9
195.10231	2.0
197.11844	3.5
199.13371	100.0
200.13708	6.5
215.12837	1.9
217.00233	3.8
266.29791	0.7
363.25461	5.0
381.11304	1.0
381.26566	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	381.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22710	0.8
57.04264	0.8
59.01369	7.4
61.98816	1.7
67.11127	0.6
67.84560	0.7
71.49539	0.8
71.62859	1.3
78.95923	1.4
82.41875	0.8
99.00863	0.7
106.34350	0.8
139.07616	0.8
149.06142	0.9
151.07585	2.3
152.99620	0.9
168.65410	0.8
170.05807	4.0
174.99229	1.8
192.11603	1.1
217.00304	7.5
233.19019	1.2
235.20610	1.3
251.20097	3.2
265.17969	1.0
277.18048	79.0
278.18411	8.2
279.19617	25.9
280.19986	1.6
295.19098	100.0
296.19424	11.6
309.24155	0.8
341.26837	0.8
363.21060	1.2
363.25397	19.0
364.25735	2.5
381.26471	12.1
382.26617	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	381.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01373	100.0
60.01714	0.7
69.58703	0.7
69.59119	1.6
71.01378	4.4
73.02585	0.3
73.02927	1.8
79.95735	0.5
83.01389	0.7
85.02930	2.0
89.02434	1.1
95.01402	0.4
96.95996	9.9
98.20689	0.5
99.00902	0.8
101.02432	4.8
101.03062	0.3
103.86852	0.3
113.02441	2.2
119.03564	0.5
125.02457	0.3
137.83539	0.3
143.03528	0.4
145.02974	0.4
159.02988	0.6
161.04532	6.2
183.10428	0.4
297.88898	0.3
301.20227	0.5
321.19113	9.1
321.22818	0.5
322.19461	0.5
381.15799	6.2
382.16611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27936	0.5
54.72156	0.4
58.00575	0.7
59.01358	0.6
69.03437	1.5
69.60657	1.2
69.61062	2.2
73.02942	0.6
78.83736	0.5
98.19864	1.1
113.06104	0.9
135.08183	1.0
137.09711	2.7
217.16098	0.9
233.19070	0.8
245.19023	1.1
257.15466	1.1
273.18530	1.4
275.20099	1.0
319.19073	0.8
335.18518	0.7
337.20163	27.6
338.20483	3.9
369.90903	0.5
381.19147	100.0
382.19495	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	381.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03433	1.1
58.00583	0.8
59.01373	17.8
61.98828	0.4
67.40836	0.3
69.03429	0.5
70.66465	0.8
70.66804	0.4
71.01375	17.9
72.99298	0.8
73.02940	6.1
75.00834	0.7
78.58318	0.3
81.03461	1.0
83.01376	2.9
85.02944	7.9
87.00836	0.9
87.04501	1.8
89.02428	6.4
95.01369	1.2
96.95992	0.9
97.02965	0.9
99.00867	2.5
99.04498	2.0
101.01767	0.8
101.02440	15.9
101.06069	100.0
102.06411	3.1
103.03963	0.7
111.00919	0.4
113.02439	6.8
113.06053	1.2
115.04003	0.8
115.07636	48.4
116.07975	1.4
117.03450	3.2
117.05584	1.0
119.03485	3.0
119.04969	1.2
125.02449	1.6
127.00341	0.9
131.03493	0.8
135.04489	0.4
135.06621	10.1
143.03462	1.3
143.07114	6.2
145.02928	11.9
146.03285	0.6
159.02986	0.8
159.06619	0.8
161.04555	4.3
163.03964	1.0
173.08261	0.6
177.01920	0.5
177.07635	0.5
191.09224	1.1
197.08153	0.6
201.05977	0.6
201.07602	1.9
203.09218	3.9
249.13376	10.2
250.13795	1.0
263.11151	0.6
279.10800	14.1
280.11182	0.7
297.11829	1.3
337.20108	3.1
338.20496	0.7
381.08008	0.5
381.12006	3.8
381.18118	18.0
382.12885	0.4
382.18628	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	381.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95101	0.2
57.03440	0.3
59.01375	1.6
69.62794	1.3
71.01377	1.2
71.24913	0.2
72.99281	0.2
73.02938	0.7
83.01392	0.6
85.02933	0.9
87.00868	0.7
92.85770	0.2
96.96008	0.3
99.00838	0.2
101.02440	1.2
111.00868	4.5
112.01219	0.2
113.02433	0.5
117.03454	26.6
118.03766	1.0
119.05007	9.1
121.02939	0.7
145.02934	100.0
146.03279	5.6
163.03984	9.2
164.04361	0.3
173.00891	0.2
185.85536	0.2
227.44354	0.2
247.56027	0.2
381.15479	42.4
382.15829	4.6
382.72290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06096	0.2
55.01863	0.2
56.00214	0.2
59.01378	1.1
63.56871	0.2
66.98243	0.2
67.44682	0.2
69.55180	0.4
69.55600	0.9
71.01382	1.3
71.90033	0.2
73.02937	0.8
83.01387	0.6
83.23418	0.2
85.02946	1.1
88.56354	0.2
93.03473	0.2
96.95982	0.2
99.00851	0.2
100.36034	0.2
101.02427	1.6
109.23929	0.2
111.00900	0.2
113.02460	0.4
117.03453	26.4
118.03787	1.0
119.05014	8.7
120.05341	0.6
121.02928	1.5
137.02409	0.2
145.02940	100.0
146.03279	4.9
162.03322	0.2
163.03998	8.8
164.04324	0.7
255.03041	0.2
292.20883	0.2
381.15472	40.1
382.15826	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	381.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03430	0.8
58.00589	0.9
59.01090	0.9
59.01375	16.3
66.38774	0.4
69.03427	0.6
69.49626	3.4
69.84781	0.5
71.01376	17.0
72.99303	1.1
73.02937	6.2
75.00871	0.7
77.17078	0.5
81.03470	1.0
83.01380	2.5
85.02948	7.7
87.00865	0.8
87.04501	1.4
89.02439	6.4
95.01377	0.7
96.96013	1.1
97.02957	1.0
99.00873	2.1
99.04501	1.3
101.02437	15.0
101.06071	100.0
102.06394	3.5
103.04017	0.8
113.02438	6.8
113.06075	1.0
115.03992	0.9
115.07639	51.2
116.07970	2.0
117.03468	2.7
119.03498	2.7
119.04984	1.3
125.02400	1.4
127.00420	0.5
135.06628	9.6
143.03488	1.2
143.07129	6.5
145.02934	11.8
150.41220	0.5
159.02982	0.5
161.04547	4.8
163.04053	1.1
173.08138	0.7
177.01917	0.6
191.05574	0.6
197.08162	0.8
201.05695	0.5
201.07642	1.2
203.09224	3.8
224.41602	0.5
245.10251	0.6
249.10864	0.5
249.13397	10.9
279.10797	15.3
280.11078	1.1
297.11874	1.8
337.20190	2.5
359.09045	0.6
381.11993	4.1
381.18140	18.0
382.18417	1.7
393.59213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
69.37164	1.8
71.01387	1.7
73.02951	0.6
74.37683	0.2
83.01379	0.6
85.02927	1.1
95.01366	0.2
96.95998	0.5
98.71645	0.2
99.00871	0.2
101.02423	1.5
103.58621	0.2
113.02470	1.0
117.03458	26.0
118.03799	1.2
119.05018	10.1
120.05312	0.3
121.02959	0.8
123.04550	0.2
133.02922	0.2
145.02948	100.0
146.03281	6.1
162.03218	0.2
163.04002	9.3
163.05380	0.5
164.04321	0.7
220.63309	0.2
284.03094	0.3
299.05453	0.4
381.15497	45.6
382.15854	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	381.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
71.01368	1.2
73.02941	0.3
83.01384	0.4
85.02937	0.7
96.95975	0.7
98.20619	0.5
101.02434	1.2
113.02448	0.4
117.03452	24.6
118.03773	1.0
119.05009	9.4
120.05338	0.4
121.02943	0.4
145.02934	100.0
146.03259	5.0
149.02406	0.5
151.00374	0.3
163.03989	8.9
164.04330	0.4
301.03497	4.1
302.03925	0.3
343.12793	0.2
381.15482	39.6
382.15778	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	381.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	72.0
61.98811	22.2
62.80210	10.1
63.03103	10.0
69.53458	22.1
69.53864	62.4
71.01386	29.7
85.02926	13.9
89.02452	21.8
96.96028	31.5
101.02448	25.4
101.06109	22.0
102.49109	13.2
111.60949	10.7
115.07629	17.5
133.02962	11.1
137.06857	11.4
161.04524	10.4
161.62169	12.2
177.01923	20.4
194.09770	10.5
196.06084	18.3
235.11958	16.7
340.92255	12.0
381.12949	100.0
381.17227	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36572	1.0
59.01375	5.2
59.96711	1.7
60.97513	1.2
61.98827	4.7
66.14757	1.3
71.28419	2.6
74.99067	21.3
75.96209	1.8
77.55574	1.1
91.02199	40.1
93.00127	12.7
93.97388	1.2
113.70335	1.1
143.05290	1.4
147.98129	1.1
159.08447	100.0
160.08609	3.3
161.06387	11.2
217.00278	2.4
299.25220	1.2
365.10934	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	381.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	33.1
61.98839	4.6
69.43093	12.7
71.01381	18.3
72.99326	4.8
73.02935	4.4
73.35294	1.6
75.00869	25.5
83.01373	1.8
85.02943	5.7
87.00877	17.4
89.02429	9.8
96.96013	7.2
99.00928	2.2
101.02401	10.2
101.06065	14.5
113.02425	5.4
115.05539	7.1
115.07680	1.9
119.03520	3.0
120.99656	2.5
129.99556	1.8
130.06602	8.2
132.04555	32.0
145.02936	2.1
158.06097	100.0
161.04509	3.3
174.05489	2.6
181.05054	5.2
183.10222	4.4
191.05617	3.3
195.84277	1.8
202.05084	44.0
220.06154	8.3
229.19203	1.9
237.06065	8.7
244.46915	2.0
249.06273	9.7
321.15375	2.1
343.10132	1.9
381.13425	27.5
381.17755	9.5
382.11322	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	33.1
61.98839	4.6
69.43093	12.7
71.01381	18.3
72.99326	4.8
73.02935	4.4
73.35294	1.6
75.00869	25.5
83.01373	1.8
85.02943	5.7
87.00877	17.4
89.02429	9.8
96.96013	7.2
99.00928	2.2
101.02401	10.2
101.06065	14.5
113.02425	5.4
115.05539	7.1
115.07680	1.9
119.03520	3.0
120.99656	2.5
129.99556	1.8
130.06602	8.2
132.04555	32.0
145.02936	2.1
158.06097	100.0
161.04509	3.3
174.05489	2.6
181.05054	5.2
183.10222	4.4
191.05617	3.3
195.84277	1.8
202.05084	44.0
220.06154	8.3
229.19203	1.9
237.06065	8.7
244.46915	2.0
249.06273	9.7
321.15375	2.1
343.10132	1.9
381.13425	27.5
381.17755	9.5
382.11322	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
59.01376	10.9
59.67398	0.5
61.98828	0.7
66.26987	0.4
71.01378	4.2
71.62818	0.7
72.99287	0.5
73.02946	1.9
78.95888	2.6
79.56028	0.5
85.02932	2.6
87.00860	1.2
89.02449	0.8
95.01396	0.5
96.95994	5.6
96.96938	0.5
99.00896	0.7
101.02435	2.2
101.06094	0.5
113.02441	1.8
117.03458	25.2
118.03777	0.8
119.05009	7.5
133.54114	0.5
137.02431	0.7
137.09715	1.1
145.02939	100.0
146.03294	4.5
152.99574	4.2
159.02866	0.5
161.04466	0.6
163.03995	11.1
164.04352	0.5
167.96066	0.5
259.16992	6.7
273.18552	1.2
275.20102	1.9
283.10007	0.5
293.21176	1.0
319.19119	8.2
320.19675	1.3
321.19360	0.8
337.20099	1.4
345.16879	2.0
363.18030	2.7
381.11813	32.4
381.19348	20.0
382.12048	4.6
382.19537	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	380.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01707	0.9
69.82797	0.9
69.83214	1.3
81.03461	0.8
120.10384	0.4
188.90417	0.4
217.00325	1.7
318.24765	0.5
320.25934	0.9
336.26114	0.6
342.05157	0.4
380.25217	5.5
381.26108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	56.3
60.25473	1.5
61.98826	17.0
71.01376	17.0
71.61295	2.1
72.01723	1.4
72.99300	2.6
73.02934	7.3
73.86256	1.3
74.48566	1.4
75.00860	3.5
79.95255	3.1
79.95729	58.1
85.02943	9.7
87.00871	4.8
87.04486	1.9
89.02437	15.0
93.03446	18.1
95.01372	1.5
96.96001	100.0
97.02905	1.4
99.00838	1.8
101.02433	13.8
103.03945	2.2
113.02431	8.1
115.03979	1.8
119.03477	3.9
121.02911	2.9
123.04547	1.5
125.02442	2.2
132.04495	3.2
133.02985	1.9
133.04999	2.3
135.04547	1.8
137.02419	43.1
139.03981	2.0
146.08220	3.5
147.08502	2.5
158.06096	12.0
161.04547	3.3
163.03926	1.7
165.01895	1.7
176.07132	2.0
179.03580	1.3
179.05637	2.7
181.05031	3.3
183.02957	4.3
201.99434	2.1
202.05067	4.5
203.00180	5.0
217.00331	2.6
218.86960	1.5
219.01299	2.6
219.06543	2.4
219.12277	4.3
235.40521	1.4
239.05620	2.2
249.06158	1.7
276.88440	1.4
299.07693	7.6
321.05658	2.1
321.15512	9.4
351.19330	1.4
363.03873	31.3
364.04373	2.3
381.04980	26.2
381.17691	18.0
382.05249	2.3
382.11304	5.4
382.16412	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2485
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
52.41635	0.2
54.86581	0.3
54.92405	0.2
55.01863	0.2
57.03453	2.2
57.03716	0.4
59.01375	18.6
61.74972	0.2
63.02371	0.3
65.00320	1.6
67.80946	0.2
69.03479	0.3
69.63072	0.9
69.63496	0.9
80.02670	0.5
81.03453	11.7
82.03761	0.3
83.01379	2.2
83.05017	0.9
98.19857	0.3
107.01368	1.3
108.02205	0.3
121.02915	0.6
122.03733	4.3
123.04585	0.3
125.02434	9.6
135.04518	0.5
136.05287	0.6
151.00333	2.0
162.03148	0.3
186.29091	0.3
253.21672	0.6
267.23367	0.5
269.24841	0.4
291.23212	1.6
292.23672	0.3
293.24780	3.5
294.25165	0.3
295.22797	2.0
305.25140	0.3
307.26443	0.8
317.24854	1.7
335.25873	12.2
336.22394	0.3
336.26218	1.7
337.24084	0.3
361.23810	0.9
362.23950	0.3
379.24841	100.0
380.25180	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	380.1558
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01863	0.6
58.00578	0.6
59.01094	1.0
59.01376	16.1
61.98809	0.9
65.50367	0.4
69.79097	2.6
71.01375	28.7
71.05009	4.2
72.01706	0.6
73.02942	1.2
79.95736	0.5
83.01372	0.8
85.02962	2.7
87.00845	0.5
88.04040	3.8
89.02427	6.9
95.01360	0.7
96.96011	1.3
99.00900	0.7
99.04488	1.5
101.02431	8.0
113.02428	3.1
116.03541	0.8
116.07229	1.0
119.03471	2.1
128.07187	1.8
129.05565	0.6
137.02422	0.9
146.08214	55.3
147.08543	2.1
161.04549	1.3
170.62952	0.5
200.09203	1.1
263.11359	0.6
308.13419	5.6
362.14578	1.8
380.15558	100.0
381.05109	0.6
381.15872	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.2
58.37172	1.3
59.01372	100.0
61.98768	1.7
62.22776	1.3
71.01376	24.1
71.63161	1.6
72.99291	1.4
73.02927	3.8
83.01379	2.9
84.31547	1.4
85.02941	3.7
89.02451	10.2
92.78352	1.2
96.96014	11.6
99.00839	1.7
101.02433	16.9
101.06068	45.8
102.06358	1.2
113.02422	6.9
113.06096	2.2
115.07636	79.8
116.07963	1.9
116.47095	1.1
119.03498	2.9
120.66154	1.3
125.02437	1.3
125.06055	3.8
137.02435	1.7
143.07120	11.3
146.33488	1.3
147.53261	1.4
158.70462	1.2
161.04556	7.1
161.05667	1.5
179.05490	2.0
181.80988	1.3
190.49605	1.2
203.09206	3.6
231.97295	1.2
291.19592	2.8
319.17542	30.1
320.17709	2.7
335.18607	7.1
379.16129	55.5
380.16672	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	379.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07871	0.4
52.82967	0.4
57.03431	0.6
59.01372	100.0
60.01715	1.3
60.98570	0.4
61.98830	1.6
69.41175	3.8
71.01373	6.7
71.05057	0.4
72.99275	0.5
73.02944	1.8
83.01395	0.7
85.02940	2.4
89.02455	1.5
93.03418	0.5
96.95999	13.1
99.00874	1.0
99.08146	0.7
101.02428	4.3
101.02988	0.4
113.02428	2.9
120.99653	2.5
127.11302	0.7
137.02466	0.6
139.11290	0.5
146.08220	0.8
157.12329	3.5
159.03026	1.0
161.04553	5.3
185.23077	0.4
191.05771	0.5
206.92134	0.4
229.15779	0.5
285.48749	0.4
299.18579	0.5
319.17667	1.6
379.09848	0.9
379.14026	7.0
380.15475	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55688	0.4
55.93591	0.4
57.03424	0.5
57.82241	0.4
58.09935	0.4
59.01374	100.0
60.01703	1.4
69.42654	1.8
69.43080	1.9
71.01379	5.1
71.38000	0.4
73.02914	2.0
85.02938	2.6
85.06577	0.5
89.02423	3.0
96.96017	4.6
98.20558	0.9
99.00905	0.7
101.02434	5.2
101.06100	1.5
111.04524	3.1
113.02429	2.2
119.03475	1.0
121.02977	0.7
122.03780	0.5
123.04547	1.2
129.05571	2.4
131.07158	1.5
136.07692	1.2
147.03285	1.6
149.02483	0.9
150.03200	4.8
159.02974	0.6
161.04559	5.6
162.05603	8.7
162.06900	0.6
163.05975	0.5
165.05547	4.3
179.08292	1.9
195.06581	4.1
205.06233	2.0
301.69974	0.4
319.17551	7.6
320.17950	0.7
379.17538	6.1
380.18240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.0
59.01375	22.5
69.03452	0.8
69.24347	1.8
69.24776	2.1
71.01374	16.7
71.05000	0.4
72.99305	0.5
73.02951	1.1
75.00838	0.6
83.01372	1.9
85.02928	1.1
87.04501	2.4
89.02441	3.2
90.28903	0.4
91.10623	0.4
95.01371	0.5
96.95986	2.7
97.02977	0.8
99.00867	1.3
101.02430	7.2
101.06068	56.1
102.06406	1.8
108.45720	0.4
113.02463	1.9
113.06091	2.0
113.14982	0.4
115.07636	100.0
116.07975	4.0
119.03451	0.6
125.02468	0.7
133.05061	0.6
141.09204	0.5
143.07112	11.6
161.04553	0.7
173.08145	1.6
191.09222	0.6
197.08060	1.0
203.09258	3.5
204.09763	0.4
206.55495	0.4
294.75031	0.4
347.06201	0.5
379.16025	69.0
380.16376	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	379.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00967	0.6
57.03445	3.7
59.01095	1.4
59.01373	20.7
69.03442	1.8
71.01372	10.9
71.62565	1.1
72.99301	1.3
73.02934	2.3
75.00858	1.7
82.02958	2.4
83.01391	1.9
85.02940	6.6
87.00856	1.2
87.04507	15.3
89.02430	3.8
95.01449	0.8
96.96006	6.7
97.02928	1.4
101.02435	5.2
101.06073	56.8
102.06425	1.9
103.25304	0.6
113.02428	3.2
115.04010	15.8
115.07641	32.9
117.05556	1.3
119.03481	1.3
125.02449	0.9
133.05064	34.5
134.05370	1.3
136.03981	1.7
143.07169	3.7
143.28224	0.8
152.03531	1.7
155.10828	3.9
171.10179	1.7
179.03493	1.1
201.06683	1.4
212.05611	1.4
217.10800	6.5
217.14490	0.8
218.11029	1.0
222.18221	0.7
228.05350	0.7
231.07701	1.1
242.08194	1.5
243.07698	2.5
247.07011	0.9
270.06305	5.8
277.09280	1.0
285.08768	21.5
286.09088	3.2
287.06561	1.4
291.09113	0.9
295.10339	1.1
317.11465	5.7
335.11331	1.9
347.12253	1.5
357.36697	0.8
379.06845	2.3
379.15991	100.0
380.16302	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	379.1607
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.22659	0.5
51.41249	0.5
55.01880	1.7
57.03455	1.0
58.00585	3.3
59.01374	89.4
60.01731	1.0
69.03450	1.0
69.69358	2.9
71.01379	62.6
72.01712	1.2
72.99304	3.8
73.02944	16.1
75.00876	1.4
79.95738	1.0
83.01402	2.9
83.08827	0.5
85.02953	9.2
87.00891	2.9
89.02440	100.0
90.02789	2.2
95.01373	2.9
96.96005	14.0
97.02946	2.5
98.19921	0.8
99.00873	19.8
99.04528	0.8
100.01226	0.5
101.02435	40.9
102.02782	1.5
111.04613	0.5
113.02444	18.3
114.43584	0.5
115.03972	1.0
119.03493	20.2
119.04300	1.2
125.02436	4.5
131.03502	17.1
143.02429	0.7
143.03477	3.7
145.02928	0.6
149.04541	46.2
150.04869	1.3
154.01440	1.5
155.10732	2.0
161.04517	6.1
179.05594	11.7
191.05609	12.1
199.09740	2.0
207.73152	0.7
221.06602	2.2
230.11797	1.3
233.06541	0.9
237.86900	0.9
247.11816	3.7
251.07739	2.2
257.15555	0.9
290.75809	0.6
291.09348	0.5
293.08719	1.2
317.17548	1.5
331.11832	0.8
361.16406	0.6
379.16040	51.1
379.23578	2.6
380.16376	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	379.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	57.1
61.98826	3.3
68.99792	3.6
69.91706	5.2
69.92129	2.2
71.01371	12.1
72.99294	3.1
73.02962	3.0
79.05521	1.9
79.95740	3.3
80.05054	22.9
85.02950	4.7
85.21119	1.7
87.00864	2.6
87.04506	2.3
88.98798	6.7
89.02436	10.1
95.03725	1.9
96.96004	100.0
98.19907	1.8
99.00890	1.6
101.02430	9.3
104.05069	6.6
106.06622	2.3
107.04968	1.8
108.04512	4.0
109.02935	3.3
109.06525	1.6
112.04055	4.6
113.02438	5.6
119.03452	2.1
119.04980	2.0
120.99642	8.0
121.02992	2.0
121.05332	4.4
122.06115	27.4
124.04050	8.4
124.07686	10.0
132.04539	26.0
134.06131	4.5
135.04515	12.1
137.06078	13.2
138.05585	3.5
138.97026	1.8
139.07602	1.8
140.07144	3.4
148.04034	41.9
150.05585	37.1
160.04013	4.1
161.02426	1.8
161.04713	9.7
162.05600	2.2
165.05511	2.2
166.05127	2.1
171.83711	1.8
176.03525	8.6
177.04268	4.3
178.05052	4.5
179.03482	3.0
179.05582	1.9
181.05057	50.9
181.08672	2.5
182.05791	1.6
183.06776	2.0
184.06125	7.1
192.03008	38.5
193.03174	1.9
194.04550	65.0
195.04932	2.7
199.09702	1.7
200.07164	5.1
201.07881	3.0
202.07047	3.2
202.08730	1.9
212.10789	13.9
213.10370	3.5
217.01765	6.7
229.13432	4.1
230.11838	13.5
231.11237	7.7
240.00296	1.8
240.08986	4.0
255.11349	29.4
256.11844	2.2
259.01184	2.0
273.12402	16.0
278.84424	1.6
299.10257	5.6
306.83771	1.8
317.11368	6.0
319.13971	9.2
335.14978	5.4
341.08661	2.2
343.09802	27.3
361.10327	28.2
362.10654	3.1
379.06885	42.9
379.11444	79.0
379.15381	8.2
380.07187	3.9
380.11017	7.8
396.87677	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	379.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81199	1.1
57.03434	2.1
59.01089	1.8
59.01374	25.9
61.98816	2.5
66.56283	1.2
66.79424	1.1
70.15223	2.4
70.15636	3.3
71.01378	8.0
71.05012	2.5
72.99301	3.1
73.02931	3.4
74.99084	2.2
75.00863	4.4
82.02976	38.8
83.01385	2.7
85.02956	2.5
87.04495	11.3
89.02438	4.0
93.03423	1.0
96.95943	1.1
98.02458	3.9
98.19901	1.4
99.04506	2.0
101.02451	6.2
101.06062	8.8
113.02447	2.5
113.06084	1.2
117.05543	4.1
119.03496	1.3
120.95406	1.0
129.05588	2.7
135.02998	1.6
136.04034	2.0
136.99097	1.7
137.02425	3.3
140.33200	1.1
143.07120	3.7
146.06075	2.4
147.06599	6.6
151.04012	1.3
155.10782	7.4
157.08765	1.3
161.04616	1.8
172.07622	1.6
173.07143	1.7
174.05585	2.7
176.03519	1.2
179.07094	2.1
183.67873	1.1
188.07231	6.5
189.06668	1.3
199.09718	5.1
201.06697	2.2
203.04585	2.0
203.08211	1.6
215.08231	6.8
216.06816	6.7
217.02808	1.3
217.06180	14.8
217.10802	7.1
218.06387	1.1
219.38814	1.2
229.06122	2.6
231.07701	12.0
232.08150	2.1
241.21014	1.2
242.08186	1.3
248.09389	1.5
259.07193	17.3
259.10846	5.0
260.07553	1.5
269.05597	1.3
270.06378	3.9
276.07434	4.9
281.06390	1.7
285.08752	16.1
286.09109	1.2
287.06805	1.7
291.09836	100.0
292.10074	8.5
317.11407	7.9
319.13965	2.1
379.15933	19.6
379.23196	9.1
380.09647	2.5
380.16556	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	379.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	78.6
61.98829	9.2
65.06493	1.5
68.99819	3.3
69.57041	11.7
71.01379	18.6
72.99317	2.0
73.02931	4.2
78.91865	4.4
80.05055	42.0
81.05372	2.0
85.02946	4.9
88.98815	4.0
89.02441	15.2
96.95995	9.1
97.06573	1.9
101.02415	11.0
104.05079	11.4
106.06638	4.6
108.04571	2.4
110.02472	2.5
112.04031	8.3
113.02438	7.8
119.03475	5.6
121.05322	6.4
122.02464	2.3
122.06120	42.8
123.03310	1.9
124.04038	8.6
124.07650	12.4
125.02380	1.6
132.03621	3.7
132.04549	43.7
133.04901	3.5
134.06100	6.1
135.04500	3.9
137.02423	2.7
138.05562	5.9
140.07144	4.0
148.04042	51.3
150.05577	48.8
150.52959	1.9
151.05927	2.0
153.04300	4.8
160.04001	8.1
161.02481	2.3
161.04756	16.0
164.07146	3.2
166.04967	3.0
166.08662	3.5
168.06583	2.0
176.03470	9.5
177.04227	8.0
178.05090	5.9
179.05574	2.4
181.05040	4.1
182.05934	2.5
184.06157	11.4
192.03012	39.4
192.06683	2.0
194.04556	100.0
195.04895	8.0
199.09785	2.5
200.07126	9.1
200.09152	2.2
202.07138	3.0
202.08775	2.4
212.10785	18.6
213.10387	3.8
215.09634	1.9
217.10703	3.6
226.07378	2.7
229.13454	5.5
230.11888	16.3
231.11320	14.7
237.93932	1.9
239.08009	2.5
240.09047	6.2
241.07419	2.3
255.11366	41.6
256.11731	3.6
273.12445	27.5
274.12601	3.2
288.50259	1.8
299.10428	9.4
317.11411	11.3
319.13925	16.3
343.09369	35.0
344.09586	3.4
361.10394	28.9
362.10663	3.1
379.07385	4.3
379.11389	87.6
379.16086	22.1
380.11734	13.4
380.15939	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	378.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98825	100.0
66.50529	0.2
69.47939	1.8
69.60287	0.2
74.07430	0.2
96.96030	0.5
148.03723	0.2
156.74382	0.2
249.62851	0.2
293.21213	0.3
300.57721	0.3
313.70471	0.2
319.01926	0.2
378.18848	6.6
379.18936	0.4
392.32742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.6
57.07985	1.6
59.01375	86.7
60.01706	2.5
60.97751	1.4
60.99303	14.7
61.79946	1.5
61.98817	6.2
64.75695	1.4
71.01377	17.8
72.01672	2.1
72.99291	4.1
73.02950	5.6
75.00848	2.5
83.01397	3.5
85.02938	11.1
87.04507	2.1
88.98800	100.0
89.02452	10.5
96.95991	2.5
101.02442	12.2
101.03030	2.5
109.02924	5.6
109.06596	1.8
111.00858	3.5
113.02452	8.0
115.07616	1.7
119.03507	4.2
119.05020	2.2
120.99616	2.5
121.02935	4.2
125.02378	2.9
135.04504	15.5
136.99086	1.9
137.06097	17.8
138.88266	1.7
139.03911	1.5
139.07593	2.3
141.35245	1.8
150.03207	2.3
161.04543	5.3
165.05571	2.5
179.03445	7.5
181.05063	64.8
182.05388	2.3
217.04890	2.0
289.07147	4.4
319.13989	14.3
337.14883	12.9
343.10275	31.5
344.10168	2.6
379.11261	2.7
379.15912	26.7
379.23407	7.7
380.16089	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	377.2328
Annotation	17-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
57.03448	2.1
57.03684	0.3
59.01362	1.0
63.02389	0.3
65.00320	0.8
68.99796	0.4
70.62525	0.7
70.62901	0.5
75.34619	0.3
81.03452	18.6
83.01389	2.2
83.05051	0.4
89.21587	0.3
107.01379	1.0
122.03728	1.6
125.02440	15.9
126.02774	0.6
151.00348	1.2
197.88011	0.3
223.20624	1.4
247.20486	0.4
249.22198	2.0
251.20149	2.5
252.20560	0.4
263.23660	0.9
267.23218	0.9
273.22113	2.4
289.21994	0.4
291.23282	4.2
292.23550	0.4
293.21213	0.9
315.23166	1.2
333.24298	14.9
334.24612	1.4
359.22217	0.7
377.23273	100.0
378.23611	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	378.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.1
61.98826	100.0
69.17197	0.3
70.96812	0.7
71.01389	1.4
72.99300	0.7
85.02954	0.6
89.02455	1.2
96.95995	0.5
101.02419	0.8
113.02496	0.4
119.03498	0.5
123.04549	0.4
135.04529	0.4
140.61551	0.3
150.05530	0.3
153.05582	0.8
161.04576	0.4
165.05464	0.5
194.04573	0.7
219.97713	0.3
249.36908	0.3
268.22784	0.3
269.91953	0.3
277.28476	0.3
319.14206	0.7
341.10959	0.4
379.07669	0.4
379.11832	0.4
379.16046	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	376.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41744	0.5
56.81715	0.5
59.01368	0.9
61.98825	100.0
63.83101	0.4
71.22192	0.8
71.22564	0.5
75.94821	0.5
166.46310	0.5
177.71481	0.5
291.19733	0.6
313.17917	0.6
316.18945	0.5
348.42328	0.5
359.26382	0.6
376.17407	3.3
377.82584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
66.91151	11.0
69.45843	29.1
69.46268	59.2
72.99307	13.6
73.02917	14.1
77.43980	11.1
94.93668	11.3
96.95973	36.0
102.98568	11.9
113.02429	13.8
135.04504	17.6
162.05608	60.8
164.04773	24.6
179.07059	19.7
195.54359	12.7
200.11435	12.5
206.04521	15.9
238.07141	41.2
339.24881	12.7
341.11069	25.4
377.08139	18.0
377.12802	26.3
377.28680	25.7
382.89371	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	377.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01709	1.2
70.32567	0.5
71.01372	5.3
73.02946	1.4
77.66927	0.6
79.31256	0.6
83.01431	0.7
83.73068	0.6
85.02946	4.0
89.02439	2.5
93.46874	0.4
96.95992	0.8
101.02431	4.2
101.34161	0.5
113.02452	2.3
119.03518	1.0
125.02496	0.6
127.38292	0.5
133.77806	0.5
154.80646	0.5
155.10802	2.1
161.04539	4.6
172.49593	0.5
176.17844	0.5
179.05563	0.7
180.91054	0.5
188.91103	0.5
222.07883	0.4
317.16141	0.7
377.18076	0.7
377.25763	0.6
378.69846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46696	0.9
57.03433	1.4
58.13054	0.8
59.01374	21.5
61.98828	1.1
66.37605	0.7
69.58774	2.6
69.59202	2.7
71.01383	0.8
84.61082	0.8
85.24977	0.7
88.65132	0.8
95.05021	1.6
95.42256	0.8
99.02461	0.7
125.09766	1.1
141.12941	1.1
151.11270	1.2
159.01482	1.0
171.10255	40.4
172.10600	2.0
175.84038	0.8
180.25699	0.9
186.19925	0.9
226.27657	0.8
249.22217	1.2
270.00037	0.9
277.21698	45.5
278.22018	5.0
295.22745	100.0
296.23077	10.3
317.20944	36.8
318.21204	4.6
329.53229	0.9
333.22943	1.2
335.20959	1.1
350.17184	0.9
361.19971	4.1
377.22952	34.2
378.23431	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70265	0.7
55.48424	0.7
55.82756	0.7
59.01087	1.1
59.01374	18.0
61.98822	9.9
63.88637	0.6
69.91625	3.6
89.16276	0.7
97.06590	1.2
98.20585	1.2
125.09739	4.4
141.12816	1.4
149.09712	2.1
169.75731	0.8
185.11844	10.8
186.12234	1.0
197.11806	2.6
217.00301	4.0
247.20665	1.4
249.22301	1.2
293.21188	100.0
294.21503	10.4
315.19360	37.2
316.19727	4.3
375.21527	7.8
376.21786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.8
59.01372	1.8
65.00308	0.7
70.76195	1.0
81.03447	1.6
83.01379	9.6
86.20887	0.4
91.84507	0.4
96.95985	0.7
121.02923	0.7
123.04491	1.3
125.02432	100.0
126.02783	3.1
126.03559	0.6
149.02426	1.2
151.00389	0.5
151.85168	0.4
167.03465	1.9
221.66295	0.4
249.18581	5.2
293.17838	0.8
375.21671	7.0
375.25574	0.3
376.21902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75650	0.2
57.03443	1.3
58.00575	0.3
59.01376	9.0
61.98829	1.0
69.03433	0.2
71.01392	1.0
71.63584	0.3
73.02938	0.7
80.00788	0.2
83.05032	0.2
85.02937	0.6
87.04506	0.8
89.02426	0.5
90.47389	0.2
96.95970	0.4
97.06564	0.6
101.02426	0.8
105.71493	0.2
109.06573	0.8
113.02413	0.2
113.09741	0.4
119.03498	0.2
123.08167	1.1
135.08130	0.3
139.11313	0.8
141.09155	0.2
141.12840	0.3
143.10822	0.2
150.56285	0.3
151.11272	0.3
153.09230	0.3
153.12825	0.3
157.12350	1.9
161.04532	0.4
169.12277	0.9
185.11816	2.2
201.11285	0.4
213.11359	0.3
214.12189	0.3
215.12819	1.6
216.13428	0.2
217.00269	0.4
275.82697	0.2
277.97668	0.2
298.02689	0.2
311.22388	0.6
327.21780	0.5
327.25357	0.6
329.23312	3.0
330.23343	0.3
355.24902	0.3
357.26489	3.5
358.27069	0.5
371.24271	0.2
373.25934	2.6
374.26199	0.4
375.27475	100.0
376.27795	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12502	0.6
53.74826	0.6
59.01372	100.0
59.90120	0.6
60.01704	1.1
61.74138	0.6
71.01380	2.3
71.08254	1.0
73.02928	1.5
76.56270	0.6
81.21519	0.6
82.37062	0.6
88.98766	0.6
89.02457	0.9
95.01385	0.6
99.00880	0.8
101.02448	1.3
113.02437	1.2
113.12935	0.6
161.04550	2.1
188.59624	0.6
212.62747	0.6
221.19051	1.6
265.18015	1.5
283.19131	1.5
301.20218	2.9
315.18088	3.6
375.23898	2.4
375.27698	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	375.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	44.2
60.38985	1.4
69.24136	7.0
69.24561	7.9
71.47907	1.7
95.05019	2.6
95.84254	1.6
98.20626	3.3
121.09350	1.5
121.10226	30.6
140.39525	1.3
149.09633	1.9
168.10182	1.7
171.10248	63.8
171.58278	1.5
172.10583	2.6
177.16441	1.8
185.11827	1.8
191.10391	1.4
207.10065	2.8
217.00214	2.7
231.21117	5.4
275.20114	100.0
276.20331	9.3
278.11377	11.6
293.21204	81.3
294.21570	10.6
297.18307	3.7
298.92416	1.6
315.19385	43.2
316.19730	7.8
318.04279	1.5
329.17041	1.9
359.18454	6.2
368.79886	1.6
375.21445	42.1
376.21393	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	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75040	1.6
59.01092	2.8
59.01374	54.2
61.98821	1.9
71.62738	2.2
72.90228	1.6
73.17984	1.7
74.99059	2.4
79.17239	1.7
83.54849	1.4
88.37948	1.6
91.02190	7.7
93.01894	2.0
102.60031	1.7
159.08469	2.6
183.12378	2.0
183.13866	22.4
195.13895	8.1
211.13310	5.5
217.00272	7.0
223.13329	8.3
225.14592	1.8
228.13637	3.2
238.95532	1.6
265.21722	2.1
275.20001	10.2
293.21194	100.0
294.21472	10.3
315.19412	3.1
375.21429	43.5
375.25476	2.4
376.21725	6.9
377.01880	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	375.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51793	0.9
59.01366	1.8
60.31887	1.0
69.22033	1.0
71.31851	1.5
74.99062	2.0
80.66776	0.9
86.11932	0.9
125.67726	1.0
159.08434	10.6
161.06343	2.2
209.01233	2.2
217.07204	1.7
277.07535	1.7
289.07465	1.3
291.09064	95.7
292.09207	10.4
293.17911	1.2
309.10263	1.3
312.05090	1.0
340.54684	1.0
357.13818	2.3
359.15286	100.0
360.15475	21.3
375.18463	8.4
376.18558	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	375.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66868	0.3
58.76057	0.4
70.46989	1.4
74.99060	2.9
79.81017	0.3
93.00109	0.8
100.06026	0.4
102.19977	0.3
123.29461	0.4
128.29047	0.4
159.08446	10.2
159.69493	0.4
160.08685	0.4
161.06396	2.0
192.98102	0.7
209.01247	2.1
217.07169	1.0
218.54840	0.4
226.20163	0.5
261.04239	0.5
275.05899	1.2
277.07443	2.4
278.78827	0.4
289.07501	1.9
291.09064	96.7
292.09198	14.6
293.07178	0.4
309.10135	1.1
357.13620	2.2
359.15295	100.0
360.15448	16.8
375.18414	10.6
376.18430	1.8
377.16245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45547	0.5
59.01376	100.0
59.16190	0.4
60.01719	1.4
61.98804	0.6
70.48414	0.8
70.48771	1.2
71.01380	3.0
85.02975	0.6
89.02443	2.7
101.02429	2.3
113.02454	1.5
119.03492	0.8
128.90271	0.5
153.88567	0.5
161.04596	0.7
179.05685	0.7
217.00320	1.5
287.16202	0.6
370.19650	0.6
375.27496	4.7
394.37164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01707	1.1
71.01375	2.4
71.91890	0.3
73.02940	1.0
85.02956	1.4
87.71004	0.4
89.02438	0.7
98.20600	1.3
101.02414	1.7
113.02445	1.1
113.79746	0.4
133.52878	0.3
141.88078	0.4
151.11839	0.4
154.12541	0.3
157.16106	0.4
159.03049	0.5
161.04524	2.6
172.40640	0.4
180.30812	0.5
224.49403	0.4
229.36397	0.5
267.33704	0.4
315.18256	1.2
375.27472	4.8
376.28024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80138	0.8
59.01375	17.3
61.98819	1.7
62.20108	0.9
69.34777	0.9
71.01376	10.0
80.91678	3.6
92.66696	1.0
93.60401	0.9
96.96046	1.4
96.96949	1.0
98.20628	1.9
127.07650	1.3
139.17412	1.0
174.99237	3.7
177.09180	4.7
179.60703	1.1
181.19475	0.9
190.09964	2.5
192.11533	6.9
205.12329	3.5
207.13948	2.2
217.00262	14.6
218.00668	1.1
218.09387	1.9
220.14647	39.9
221.15436	100.0
221.99469	0.9
222.15852	6.8
222.79553	1.0
235.13313	1.6
236.10506	88.1
237.10849	7.7
272.61441	0.9
293.17532	41.5
294.17883	4.9
318.09534	3.9
319.09567	1.2
374.99295	1.0
375.17844	15.0
375.26965	1.1
376.17871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.6
56.67557	1.0
57.03439	7.8
58.00572	1.9
59.01373	100.0
60.01689	1.2
61.98826	3.3
65.17506	1.1
68.99809	1.4
71.01373	42.9
71.62663	1.5
72.01696	1.6
72.99312	4.5
73.02942	10.4
74.99079	1.0
75.00860	1.9
83.01374	7.5
83.05017	2.1
84.02139	2.3
85.02937	52.4
86.03275	1.1
87.00850	8.0
87.04505	1.1
89.02435	24.5
95.01386	3.5
95.05024	1.1
97.06567	1.1
99.00880	4.8
101.02431	32.8
104.63500	1.1
109.06580	1.5
111.00882	3.3
113.02431	15.8
119.03505	11.5
120.99634	1.5
125.06110	1.1
128.19591	1.0
129.01949	5.1
135.72314	1.0
137.06070	1.6
143.03448	1.4
145.03000	1.4
147.02954	4.8
147.78290	1.0
149.02402	1.9
153.09241	2.7
159.02985	2.4
161.04547	14.9
165.05478	0.9
169.12386	1.4
177.01949	1.0
177.09163	5.4
179.05614	3.2
189.34903	1.1
191.01962	15.7
191.05569	2.9
192.02393	1.7
195.10283	2.0
197.08286	0.9
209.03078	1.8
212.08290	4.2
213.11235	1.1
225.11295	6.7
227.11862	1.0
231.21774	1.0
241.07338	3.4
249.10042	1.1
255.08797	17.8
256.09195	1.9
269.12811	1.0
287.10455	2.2
313.11682	1.4
315.14481	4.1
315.17776	2.4
331.17606	2.0
333.19180	8.0
337.05658	1.7
357.15488	16.9
358.16107	1.4
375.16519	64.4
375.20258	6.2
376.16876	7.4
376.20865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56276	0.7
59.01373	100.0
60.01693	1.5
61.98828	2.2
70.46278	2.3
71.01373	3.3
71.24728	0.8
73.02926	1.1
85.02933	0.7
89.02473	1.2
98.19865	0.8
101.02448	1.2
106.04254	2.0
107.05049	1.1
113.02428	1.3
120.02174	2.2
123.04523	2.4
129.13911	0.7
135.04568	1.3
136.04086	1.7
138.03207	6.4
153.05556	67.1
154.05916	2.6
159.03023	0.8
161.02431	1.2
161.04553	4.3
169.03319	2.6
179.03551	2.0
198.66382	0.6
213.07669	0.9
315.10812	0.8
375.06860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84835	0.4
57.03429	0.6
59.01371	7.9
61.82151	0.5
69.59070	1.5
69.59489	1.9
71.01369	1.2
72.99289	0.9
74.99126	0.5
84.02148	0.7
85.02972	0.9
94.43283	0.5
96.95998	1.0
97.96512	0.5
98.19865	0.9
101.02435	0.9
102.98563	0.6
107.09888	0.5
108.02175	0.5
109.02882	0.6
113.02408	0.6
113.36499	0.5
113.77358	0.5
119.05025	0.8
120.99647	0.9
122.03723	2.2
147.04512	6.1
151.04042	0.6
153.03700	1.3
153.09164	0.8
156.35867	0.5
158.03703	0.8
159.04497	0.5
161.04529	1.1
167.84128	0.6
175.03984	24.2
176.04759	54.2
177.05150	3.6
190.06300	5.8
191.07109	100.0
192.07472	7.6
196.65834	0.5
243.16064	0.5
302.68161	0.5
303.18039	1.3
327.12305	8.3
328.12701	1.0
357.13480	0.7
375.14609	2.1
375.19730	0.6
375.23981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08647	1.9
59.01376	22.4
61.98826	100.0
71.62441	2.3
75.35706	1.8
133.55940	2.1
163.03996	4.2
164.04289	3.4
164.25095	1.8
174.99312	3.1
181.05054	2.5
217.00284	19.3
369.18253	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13556	0.3
59.01372	68.0
60.01708	1.1
61.89406	0.4
61.98845	0.5
65.91740	0.4
71.56667	0.7
72.99353	0.5
88.48435	0.4
89.28154	0.3
90.97137	1.2
114.98885	0.7
118.96626	0.5
132.98180	2.0
139.35388	0.4
156.99911	1.2
174.99216	24.4
175.99496	0.6
201.02495	1.8
202.02667	0.8
208.80312	0.4
217.00266	100.0
218.00597	4.2
218.98145	0.7
225.00458	0.4
291.50317	0.4
294.44431	0.4
314.98975	0.7
374.99124	7.6
375.99405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51244	1.1
54.93802	1.4
55.41318	1.2
59.01358	5.0
60.99304	14.1
62.38327	1.4
65.00317	3.3
69.73508	8.2
83.01390	2.5
88.98797	100.0
107.01380	5.6
118.93365	1.3
125.02399	1.4
131.37929	1.4
133.02916	9.0
141.57828	1.4
149.02441	2.5
151.00316	11.5
158.01852	1.4
163.99374	2.1
175.04016	2.1
179.98859	3.4
199.03966	2.2
221.53099	1.5
244.03772	1.6
255.02948	2.1
256.03610	1.7
283.02524	7.3
285.04016	64.4
286.04315	8.6
314.99652	30.0
316.00391	28.9
317.00873	5.2
317.82263	1.6
331.02777	55.6
332.03076	6.4
374.26083	1.5
374.93527	4.0
375.01666	9.4
375.19812	2.4
375.27393	6.2
376.02472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39458	0.6
54.22857	0.4
58.00587	0.7
59.01374	18.5
60.01720	1.5
61.98825	100.0
64.37226	0.6
71.01372	8.9
72.01726	1.8
73.02946	1.7
83.01389	0.8
85.02929	3.2
86.03271	0.9
89.02439	7.7
90.02792	1.4
95.01392	0.9
99.00871	0.7
101.02434	5.4
102.02786	1.6
113.02454	3.0
114.02766	1.0
119.03480	2.7
130.03355	0.4
161.04549	3.6
162.04874	1.3
176.65674	0.5
189.32408	0.6
276.47885	0.6
281.96304	0.5
281.99728	0.5
373.67926	1.0
374.22375	6.0
374.26489	1.4
375.27441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66049	2.0
59.01374	31.6
61.98825	100.0
70.90900	2.3
71.62650	2.1
96.96027	2.7
109.17948	1.8
116.67498	2.1
125.43177	2.0
174.99226	5.1
216.18582	1.9
217.00241	25.8
238.86023	2.2
293.17377	2.6
318.06277	2.6
374.99261	2.8
375.21521	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	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
58.00602	0.8
59.01372	100.0
60.01735	1.4
61.98821	2.4
69.03420	0.7
71.01374	20.4
71.62881	0.6
72.99313	1.2
73.02949	4.0
83.01384	1.7
85.02951	6.7
87.00867	1.2
87.04510	0.8
89.02435	15.7
93.07126	0.9
95.01373	2.1
96.95996	1.2
97.06590	0.8
99.00887	1.3
101.02432	13.6
113.02428	7.9
119.03503	5.2
120.99712	0.8
121.02921	0.9
121.19405	0.7
125.02460	1.3
125.09708	1.1
127.11356	0.7
131.32646	0.8
141.12825	1.1
143.03488	1.1
148.04071	0.9
159.03073	1.1
161.04529	10.9
165.01936	1.2
171.10211	1.2
179.05653	0.7
183.13960	1.1
185.11821	2.9
192.02972	1.4
208.35132	0.7
221.19089	20.2
222.19516	1.8
224.05598	1.3
225.14992	1.5
239.20187	1.5
257.21185	1.4
265.18030	14.0
266.18307	1.1
283.19159	11.2
284.19351	1.2
285.20712	5.3
301.20154	59.7
302.20554	6.7
307.22919	0.8
313.23752	2.8
325.23810	6.4
329.19684	3.6
343.24643	4.4
347.22150	0.9
355.24677	1.3
356.25259	0.9
373.22162	4.1
373.25946	66.3
374.22626	0.8
374.26401	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	373.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30122	0.6
57.03438	1.9
59.01373	19.6
64.46596	0.6
69.03484	0.7
70.28765	2.5
86.19683	0.6
93.07111	1.0
97.06596	1.7
98.20553	0.9
119.08619	0.7
121.09350	1.0
121.10221	18.6
122.10568	0.8
123.08138	1.2
125.09721	7.0
139.11189	0.8
141.12804	1.1
147.08110	1.5
185.11823	14.2
191.06982	0.8
197.11818	2.4
207.09953	4.3
209.11827	0.9
211.13333	1.8
223.13359	0.9
227.18153	1.1
243.17542	0.7
245.19090	8.8
246.19437	1.0
273.18649	0.8
291.19614	59.6
292.19971	7.1
295.16943	0.9
311.16232	1.0
313.17813	100.0
314.18152	13.0
373.19568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2591
Annotation	oscr#24
Peak:m/z	Relative Intensity
52.81037	0.2
57.03442	2.0
59.01369	1.3
69.03445	0.6
69.43682	1.3
71.01379	0.6
73.02938	0.7
79.15121	0.2
85.02921	0.2
89.02429	0.3
95.04981	0.2
97.06586	0.4
101.02411	0.4
101.06049	0.2
111.08162	0.5
113.06069	0.4
113.09743	0.2
123.08165	0.9
123.13507	0.2
125.09716	3.2
126.10011	0.3
127.11288	2.1
136.26085	0.2
137.09712	2.0
141.09183	0.6
143.10741	0.5
153.09201	0.6
153.12862	0.7
155.10765	2.1
161.04474	0.2
171.10251	9.4
172.10518	0.4
194.50826	0.2
200.10587	0.2
201.14914	0.4
217.14438	0.3
223.43944	0.2
229.14447	0.9
230.15196	0.8
285.20276	0.2
309.70071	0.2
325.23584	0.2
327.21762	0.6
327.25287	0.3
343.24695	0.2
355.24854	1.6
371.24249	1.3
373.25879	100.0
374.26221	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	373.1864
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.81916	0.6
55.01862	0.6
57.03439	1.3
59.01374	100.0
60.01697	0.9
60.50257	0.5
66.72365	0.6
69.68960	3.2
71.01376	10.3
72.99324	1.1
73.02941	2.9
74.99093	1.1
83.01389	1.4
83.05048	0.6
85.02930	3.8
87.00866	0.7
89.02438	5.5
93.03445	1.0
95.01399	1.2
99.00858	0.7
101.02421	5.1
103.25883	0.6
111.00898	0.6
113.02454	4.7
117.03476	1.4
119.03534	2.0
120.99638	3.7
123.04530	0.7
125.02441	1.1
134.03766	1.4
136.01683	1.1
136.99139	1.0
137.02487	2.1
139.85112	0.5
143.03493	0.8
151.04007	1.6
161.04529	4.2
167.03561	0.6
169.12405	0.6
176.03487	0.6
178.02667	0.8
180.99692	0.7
191.05615	0.8
193.08694	0.6
202.40990	0.6
211.04454	1.0
225.09230	1.7
266.95404	0.7
269.08313	1.1
287.09219	1.8
297.08762	1.1
329.11407	0.9
331.17526	5.2
355.12561	0.7
373.09164	1.1
373.13245	4.6
373.18170	1.8
373.22491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55869	0.4
55.01871	0.5
57.03445	0.9
58.00566	0.7
59.01373	100.0
60.01699	1.2
61.98814	0.5
66.27960	0.4
69.03455	0.5
69.65225	2.4
71.01372	9.7
71.01752	0.6
72.99312	0.8
73.02938	2.7
74.99121	0.7
83.01403	1.5
85.02946	3.1
86.03298	0.4
87.00906	0.6
89.02441	4.6
93.03489	0.5
95.01408	1.0
98.19822	0.6
99.00887	1.0
99.04512	0.5
101.02431	6.4
108.04549	0.6
109.02946	0.5
111.00854	0.5
113.02444	4.3
119.03540	1.5
120.99652	2.5
123.00935	0.4
125.02473	0.8
132.04559	0.9
136.01627	1.1
136.99133	0.5
137.02469	1.6
151.03990	1.1
161.04527	4.5
179.05641	0.7
204.70963	0.4
211.07657	0.9
283.13583	0.5
313.16614	0.7
329.11310	0.7
331.17471	5.1
332.18030	0.6
373.13141	3.0
373.17822	0.9
374.13846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55156	0.4
53.38493	0.4
56.68456	0.4
57.03436	0.5
59.01373	100.0
60.01708	1.1
60.65520	0.4
61.98829	1.3
64.29342	0.4
65.41367	0.4
69.86989	2.1
71.01376	4.8
73.02946	0.7
85.02953	1.9
89.02428	4.4
101.02438	3.0
113.02437	2.1
119.03474	2.5
130.43201	0.4
161.04520	2.5
223.09816	0.5
281.85312	0.4
301.73862	0.4
373.17746	0.5
373.22128	1.0
373.26096	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	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55869	0.4
55.01871	0.5
57.03445	0.9
58.00566	0.7
59.01373	100.0
60.01699	1.2
61.98814	0.5
66.27960	0.4
69.03455	0.5
69.65225	2.4
71.01372	9.7
71.01752	0.6
72.99312	0.8
73.02938	2.7
74.99121	0.7
83.01403	1.5
85.02946	3.1
86.03298	0.4
87.00906	0.6
89.02441	4.6
93.03489	0.5
95.01408	1.0
98.19822	0.6
99.00887	1.0
99.04512	0.5
101.02431	6.4
108.04549	0.6
109.02946	0.5
111.00854	0.5
113.02444	4.3
119.03540	1.5
120.99652	2.5
123.00935	0.4
125.02473	0.8
132.04559	0.9
136.01627	1.1
136.99133	0.5
137.02469	1.6
151.03990	1.1
161.04527	4.5
179.05641	0.7
204.70963	0.4
211.07657	0.9
283.13583	0.5
313.16614	0.7
329.11310	0.7
331.17471	5.1
332.18030	0.6
373.13141	3.0
373.17822	0.9
374.13846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01378	11.9
63.96227	10.6
68.90881	1.5
71.01376	3.0
73.02931	2.2
79.95730	100.0
80.96510	25.2
87.04525	3.1
96.95998	10.8
115.05434	1.3
121.02950	6.3
121.10227	3.3
133.74995	1.4
165.01863	2.6
170.17325	1.5
171.10307	9.7
173.06355	2.1
189.05888	9.7
201.11334	2.8
215.66237	1.3
233.09608	1.4
275.20203	8.4
285.20535	1.7
291.19562	2.0
293.21170	12.8
313.23807	2.2
343.24716	1.5
355.21036	1.7
355.25104	1.9
372.67270	10.8
373.16864	57.8
373.25928	22.1
373.30029	2.5
374.17053	8.0
374.26401	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03432	1.0
57.67761	0.7
58.00579	3.8
59.01374	100.0
69.63445	2.1
69.63854	3.1
71.01375	49.3
72.99289	3.9
73.02936	1.5
83.01384	3.3
85.02941	8.8
87.00873	1.8
89.02435	65.7
95.01363	3.9
96.96063	0.7
97.11430	0.7
99.00875	0.8
101.02435	35.8
113.02441	22.0
113.03226	1.1
119.03488	34.3
131.03494	3.5
138.93013	0.9
143.03488	2.8
149.04544	1.9
161.04546	3.1
177.28281	0.9
179.05582	4.5
193.12309	6.6
373.18613	54.2
374.18903	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	373.1688
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
59.01369	6.0
61.98824	1.2
62.52317	0.6
63.96235	61.3
64.97020	1.8
65.80164	0.6
69.38956	5.0
71.01377	0.8
72.99245	0.7
79.95734	100.0
80.96511	40.4
80.97218	0.7
85.03020	0.6
89.02456	0.6
96.95991	3.7
101.02471	1.1
119.08672	1.0
119.98864	4.6
120.74084	0.6
121.10220	1.0
127.11230	1.0
137.09677	1.7
144.19562	0.6
171.10255	7.2
173.06377	9.2
174.06529	0.6
183.13815	1.2
189.05896	48.3
190.06204	2.4
199.90985	0.6
201.11304	9.9
275.20145	3.9
291.19641	1.6
293.21213	5.6
294.21262	0.6
355.15784	6.5
369.23459	0.7
373.16855	52.1
373.25803	5.2
374.17206	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	373.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.6
59.01373	22.4
61.98817	1.4
70.96086	0.7
70.96449	1.0
71.01379	12.3
72.99277	0.8
83.01379	1.6
85.02939	2.7
89.02435	11.7
95.01373	1.5
101.02428	6.8
103.28110	0.5
107.01385	1.1
108.02162	10.0
109.03048	0.5
111.00866	0.8
113.02438	4.6
119.03484	5.1
120.46496	0.4
122.03735	1.4
123.00867	4.3
123.04524	5.1
124.01659	2.1
131.03445	0.5
132.67294	0.4
135.00919	0.6
136.01637	1.7
137.06097	2.2
148.01608	0.7
149.02403	1.8
149.04509	0.5
150.03212	10.5
151.00381	0.9
151.03755	0.8
152.01151	0.7
153.05588	0.8
165.01904	0.6
165.05522	1.6
167.03468	1.2
177.01920	2.5
178.02692	42.2
179.03017	2.4
181.05023	0.6
193.05031	100.0
193.48802	0.5
194.05344	6.2
263.38943	0.6
373.07574	4.3
373.11441	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69178	0.9
56.13225	1.0
57.03437	3.1
59.01374	26.0
61.98819	2.4
63.96243	1.6
71.01381	12.6
71.62247	1.2
72.99294	6.5
73.02930	1.8
74.99092	14.1
75.00868	2.7
79.95691	1.3
81.03460	1.1
83.01377	7.6
85.02942	10.7
87.00868	7.4
89.02428	6.6
95.01383	2.2
95.05007	1.3
96.96001	1.8
97.02937	1.7
99.00878	11.9
99.04495	1.2
101.02460	4.9
102.98601	0.9
103.00379	1.1
107.05020	1.9
109.02942	12.5
109.60388	0.8
111.00893	1.7
111.04507	1.1
112.38024	0.8
113.02440	3.6
115.00362	19.8
116.00761	0.9
116.83784	0.9
117.97345	1.2
119.03504	1.8
119.05032	1.6
120.99651	1.4
121.02940	3.9
121.06609	3.3
122.03738	0.9
123.00880	1.2
123.04502	2.5
125.02400	3.4
127.00388	1.6
131.03474	1.0
133.02922	5.8
134.03708	1.8
135.04539	7.2
135.98387	2.3
136.01671	1.4
136.99126	11.8
137.02435	3.7
137.06114	1.0
138.01903	1.4
139.00366	1.9
139.03987	1.3
145.02925	1.9
147.04520	6.1
148.05296	4.0
149.06068	83.0
150.03229	1.5
150.06438	5.3
151.00381	2.1
151.04012	5.5
152.04764	3.9
153.01933	2.4
154.93178	1.0
157.05128	1.4
159.03049	1.5
159.04478	1.2
161.02423	24.4
161.04591	1.5
161.06091	2.8
163.04019	4.5
165.01912	2.3
165.05623	5.1
166.02678	2.4
166.99776	1.0
167.03496	5.2
171.04453	1.0
174.03122	1.6
175.02461	13.0
175.04004	14.7
176.04480	2.1
177.01901	22.0
177.05505	2.3
178.02345	1.8
179.00194	2.2
179.03452	1.9
181.05045	1.8
183.02853	1.4
187.03996	1.6
188.04759	1.0
189.05544	4.5
191.01933	1.8
191.03525	2.8
191.05524	1.6
193.01358	1.5
193.05022	17.5
195.06555	1.0
196.03705	1.6
199.09680	1.5
202.02670	1.1
203.03477	16.8
204.03920	1.0
205.01379	1.3
205.05034	2.4
206.02184	5.2
209.04593	1.2
210.01718	2.2
211.06090	8.0
211.09721	1.9
219.02946	31.0
220.03276	2.7
231.06688	2.0
233.04538	20.7
234.04945	2.3
237.04008	41.6
238.04298	2.5
249.07671	2.6
275.05597	4.2
277.00439	1.6
277.03491	30.7
277.92004	0.9
278.03851	2.6
293.06583	10.1
294.06815	1.9
313.16345	1.1
319.04559	11.9
320.05014	1.2
337.05603	100.0
338.05954	11.7
373.03232	14.3
373.09177	9.4
373.15372	13.3
374.03613	1.8
374.08691	1.1
374.14224	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	17.7
59.57657	2.9
61.98823	100.0
69.65923	19.6
70.69526	2.7
71.01381	2.8
79.65703	2.5
83.01363	3.1
90.92390	2.7
93.74780	3.0
98.19942	4.1
121.07964	2.6
151.03995	4.2
177.99338	2.5
257.95740	2.9
372.15097	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	373.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.6
59.01376	22.6
61.98819	3.5
63.43478	1.2
69.03404	1.2
70.01501	4.5
71.01373	14.1
72.99312	6.0
73.02955	2.8
74.99091	11.0
75.00855	2.5
83.01391	7.5
85.02945	8.9
87.00857	7.2
89.02434	4.8
93.03459	2.3
95.05045	2.1
96.95988	1.5
97.02968	1.5
99.00878	13.4
101.02434	4.3
102.98567	1.4
107.05007	2.7
109.02931	13.7
111.00849	1.6
113.02444	4.2
115.00360	19.8
119.03529	1.4
121.02964	3.9
121.06561	4.6
122.03257	1.2
123.00888	1.4
123.04543	2.0
124.41751	1.1
125.02431	3.4
127.00370	2.0
133.02971	5.4
134.03706	2.2
135.04509	5.5
135.71838	1.1
135.98351	3.3
136.99135	10.2
137.02417	3.6
139.00385	2.1
139.04037	1.5
145.03012	2.5
147.04515	6.6
148.05286	3.3
149.06065	99.7
150.06403	5.1
151.03992	4.4
152.04768	3.0
157.01505	1.3
159.03001	2.0
159.04379	1.8
161.02432	28.0
161.04506	1.3
161.06047	2.9
162.02907	1.5
163.03938	3.7
165.05547	5.4
166.02609	2.5
167.03470	2.5
174.03212	2.7
175.02452	14.7
175.03995	16.5
176.02893	1.6
177.01906	24.1
177.05482	2.8
178.02338	1.5
179.00104	1.7
179.03386	2.8
187.03981	2.0
189.05560	3.9
190.02699	1.9
191.01927	1.5
191.03500	2.9
193.05029	18.4
203.03500	12.9
205.01357	1.7
205.05061	3.9
206.02177	5.0
210.01540	1.2
211.06136	4.6
211.09760	1.5
215.03424	1.6
219.02957	31.2
220.03285	2.9
227.02026	2.4
231.06659	2.7
233.04518	22.4
237.04013	42.9
238.04338	2.8
249.07608	2.6
267.67697	1.7
275.05536	3.6
277.03513	31.6
278.03885	2.7
293.06589	12.6
319.04602	11.3
337.05609	100.0
338.05951	11.4
373.03247	18.6
373.08755	4.1
373.15118	16.9
374.08588	1.4
374.14120	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	372.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
61.98824	100.0
65.59819	0.8
83.01376	2.8
89.33329	0.9
91.84099	1.0
97.78802	0.8
98.20655	2.0
103.07528	0.9
160.47006	0.9
182.14291	0.9
194.98044	1.1
273.24686	1.0
372.15353	1.7
372.24496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	2.1
61.98825	100.0
62.81093	0.8
65.20445	0.8
69.28682	6.7
69.29091	2.1
69.92532	1.2
70.34094	0.8
85.66502	0.9
91.14043	0.9
139.64926	1.1
151.67531	1.0
249.34923	1.0
261.32153	0.9
298.55710	1.0
394.15454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29432	3.1
59.01374	19.5
61.98823	100.0
83.01390	7.0
83.05043	4.8
98.20734	5.8
104.91820	3.1
145.95532	3.1
152.78798	3.1
167.81392	3.1
185.00787	3.1
218.37218	3.3
258.82581	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	372.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41916	1.1
59.01369	7.7
59.53588	1.2
61.98825	100.0
68.47362	1.0
71.10104	2.5
78.82560	1.0
83.01398	2.0
94.79656	1.1
123.00851	1.0
147.04453	1.3
148.20335	1.2
313.49359	1.1
373.26065	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	371.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.31657	1.5
59.01374	13.2
69.88899	1.4
71.05017	28.0
71.58304	2.4
72.99299	65.6
75.00860	10.2
83.01382	12.7
83.05011	2.4
104.18526	1.4
121.02942	4.0
136.05334	3.4
167.05202	1.3
171.10262	1.8
223.20621	2.6
232.69165	1.3
251.23677	4.2
281.24847	3.0
281.28503	5.2
295.22845	7.2
296.23190	1.6
299.25873	72.9
300.26334	7.2
307.26361	3.1
309.27936	31.0
310.28271	4.8
353.26901	100.0
354.27225	13.3
356.12610	1.7
371.15002	11.8
371.23865	2.7
371.27875	25.8
371.31741	4.9
372.15158	1.7
372.28091	2.6
388.55298	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.8
59.01375	90.7
60.01701	1.5
65.15013	0.8
69.79102	0.6
71.01376	7.1
72.37390	0.6
72.99308	1.3
73.02935	3.6
74.99109	0.9
76.39008	0.7
83.01398	2.2
85.02945	5.7
87.00844	0.9
89.02444	5.5
89.29440	0.7
93.03436	3.5
93.04584	0.7
98.77458	0.7
99.00883	0.8
101.02443	5.2
102.98560	1.2
103.04018	3.3
109.02937	1.2
113.02469	1.2
118.98123	0.9
119.03545	0.9
120.99667	1.0
121.02937	5.5
125.02455	2.1
137.02440	5.8
149.06100	1.2
151.00400	1.2
163.11261	6.5
166.02708	2.5
167.03519	1.1
194.05867	1.0
207.10220	13.4
209.08231	1.7
293.73395	0.8
371.13718	5.6
371.17114	100.0
372.17401	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	371.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
59.01373	100.0
60.01705	1.1
62.66160	0.4
69.47872	1.2
69.48291	2.6
71.01376	9.9
73.02951	1.9
75.42348	0.6
83.01408	1.2
85.02950	3.5
85.26335	0.4
87.00893	0.6
90.31520	0.4
95.01399	0.5
97.94379	0.5
99.00931	0.9
101.02438	5.9
102.43807	0.5
113.02447	4.0
115.97209	0.5
141.16891	0.6
143.03503	1.0
149.09698	51.6
150.10036	3.1
159.03032	2.0
161.04538	16.8
162.04900	0.9
184.54904	0.4
188.92511	0.5
192.40239	0.5
311.15057	1.1
371.24387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39831	0.5
58.71487	0.5
59.01374	100.0
59.90771	0.6
60.01718	0.9
62.26500	0.6
65.66862	0.6
69.34868	5.0
71.01385	2.6
73.02940	1.5
80.14547	0.6
83.01397	1.1
85.02938	1.2
96.95998	0.7
98.20580	1.1
101.02419	2.9
113.02447	1.4
161.04538	2.4
162.76147	0.7
311.14902	3.8
371.15219	0.8
371.24426	8.3
372.15552	1.0
372.24750	1.0
383.46759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2433
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
53.14594	0.2
57.03438	0.7
58.82091	0.2
59.01361	1.0
60.61293	0.2
69.71005	1.0
69.71411	0.4
73.02937	1.0
83.01370	0.3
83.05013	0.4
84.72713	0.2
85.02953	0.3
87.04498	1.0
93.07096	0.8
94.54985	0.2
97.06575	0.8
98.19891	0.5
101.06084	0.2
113.06114	0.3
121.06629	0.2
123.08136	1.1
125.09706	4.4
126.10058	0.2
127.11269	0.4
137.09708	0.8
139.07591	0.2
139.11304	1.2
141.09236	1.0
141.12852	1.2
143.10762	0.2
149.09734	0.3
151.11246	0.7
153.09186	0.7
155.10771	0.4
169.08853	0.2
169.12273	0.6
171.10254	12.0
172.10570	0.8
185.11830	0.3
200.10468	0.6
201.11014	0.2
213.11327	0.3
215.12833	1.0
227.12970	0.3
228.13608	1.0
241.14580	0.2
281.17691	0.2
311.22247	0.9
323.22385	0.6
335.21948	0.3
341.23273	7.2
342.23676	1.2
353.23364	1.8
361.44385	0.2
369.22729	1.2
371.24323	100.0
372.24664	13.6
372.29510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05722	0.2
57.03432	0.3
57.56602	0.2
57.59936	0.2
59.01391	1.1
65.00321	0.9
81.03452	4.9
83.01381	0.7
89.02423	0.3
99.08144	1.3
99.19217	0.2
101.06082	0.5
107.01367	0.7
123.08160	2.4
125.02435	5.0
125.06068	4.6
126.02704	0.2
126.06312	0.2
136.05275	0.6
141.09178	0.6
145.27318	0.3
147.08157	1.2
149.02527	0.4
150.06781	0.2
151.00348	1.2
165.09187	23.9
166.09509	1.6
167.07153	0.3
191.07169	1.5
209.08159	100.0
210.08521	6.6
229.14542	0.3
233.08121	0.7
251.09222	1.1
255.08318	0.2
258.09598	0.2
266.27747	0.2
325.87689	0.2
371.13266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.18987	0.8
53.05732	0.8
55.01868	1.0
57.03428	2.2
59.01088	1.4
59.01374	17.0
66.83468	0.9
67.01844	1.2
67.56698	0.9
68.99812	2.4
69.03445	1.5
70.99767	2.3
71.01376	17.4
72.99290	5.4
73.02946	2.6
75.00862	17.7
81.03468	1.2
83.01384	1.9
85.02948	20.8
87.00877	7.5
89.02431	4.3
93.03445	2.1
95.01395	4.0
99.00880	10.3
103.00351	2.5
111.00838	1.6
113.02443	26.4
114.02712	1.0
115.00356	2.8
117.01928	3.9
121.02946	100.0
122.03250	4.3
129.01967	1.6
157.01407	1.5
167.03488	0.9
175.02464	4.1
189.04068	1.4
199.22017	0.9
231.05080	5.8
247.05423	0.9
249.06125	72.1
250.06418	4.4
322.61441	1.0
353.08643	1.7
371.09775	64.7
372.10196	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	369.1812
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
57.03417	2.6
59.01365	7.1
61.98818	5.5
69.94266	10.6
71.96458	2.0
83.03040	1.8
85.25656	1.8
98.19948	2.6
118.52779	1.9
123.78012	2.0
124.39397	2.0
127.11322	2.3
139.11308	7.0
158.39038	2.1
171.10246	27.5
174.04018	2.0
183.10310	2.9
185.11781	6.6
193.08456	5.0
229.04900	8.3
293.21362	7.1
311.22266	26.1
312.22888	2.9
325.23749	2.3
369.18091	100.0
369.22556	4.6
370.18405	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	369.3007
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
59.01371	1.9
61.98816	2.5
64.22941	0.9
71.53390	1.4
93.43431	0.9
134.89955	1.0
136.89363	1.0
150.39272	1.0
174.69321	1.1
193.12270	1.5
226.12703	1.1
271.21228	1.0
305.28519	1.3
307.30023	63.8
308.30307	8.9
351.29016	18.8
352.29236	2.4
369.30051	100.0
370.30396	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	370.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14157	1.0
59.01375	8.0
61.98824	100.0
63.02211	1.2
69.90456	6.1
77.92332	1.1
83.01366	5.7
121.02963	2.5
141.34787	1.1
268.26685	1.2
311.18521	1.1
371.10199	1.3
371.14883	4.4
371.24292	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	370.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67849	1.3
59.01386	9.7
61.98825	100.0
66.52353	1.4
67.55454	1.2
76.58422	1.3
81.38766	1.3
83.01385	9.0
93.03403	1.3
109.11671	1.3
121.02978	8.2
123.00834	1.6
136.05319	2.1
152.01067	1.5
178.02754	1.7
225.72350	1.5
237.65472	1.4
268.58878	1.6
269.05502	1.5
371.15012	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	371.0977
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01885	2.2
57.03444	2.0
58.34665	1.2
59.01091	2.5
59.01377	44.9
60.99303	7.2
67.01858	1.4
67.25949	1.2
69.21517	1.5
71.01385	23.7
71.62123	1.9
72.99300	9.6
73.02937	2.7
75.00871	18.5
83.01379	7.9
84.50107	1.3
85.02947	27.4
87.00871	9.7
88.98801	46.1
89.02438	19.5
92.72882	1.4
93.03440	3.8
95.01399	6.8
96.95990	4.7
98.95628	3.0
99.00861	9.1
101.02437	8.5
103.00356	3.0
104.38042	1.2
107.05073	1.2
109.02923	2.2
113.01685	2.0
113.02444	32.9
115.00333	2.8
117.01916	5.8
117.97295	3.3
119.03460	4.6
119.05021	1.7
120.99583	1.6
121.02947	100.0
122.03266	2.7
125.02439	3.1
129.01926	2.1
135.04585	1.5
137.02432	2.4
152.19946	1.4
153.01906	2.4
153.98558	1.2
157.01309	1.4
161.04543	2.7
163.03996	4.2
175.02397	3.5
179.03632	1.7
179.05582	1.3
181.05040	2.0
193.03419	2.5
207.02988	1.9
208.07335	1.7
209.04581	1.4
223.09528	1.9
231.05075	4.6
249.06149	26.4
250.06525	1.5
311.11337	1.6
371.09683	84.9
371.13602	20.3
372.10022	7.9
372.14066	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	369.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18397	1.1
51.55996	1.1
57.03437	12.6
58.99596	13.6
59.01376	9.7
70.96359	1.3
71.01381	3.2
74.99090	13.1
78.09914	1.5
81.06075	1.1
85.02940	1.8
93.03464	1.4
95.48797	1.2
96.95998	3.5
97.06590	2.1
99.02732	60.6
99.04494	14.3
100.03065	2.5
101.02444	1.8
102.98589	73.5
103.98921	1.8
120.99635	3.3
121.02957	2.1
123.03399	1.4
123.04521	1.5
135.04521	2.9
137.02431	3.6
139.07559	1.5
141.03789	2.3
149.02338	1.3
151.00365	4.7
151.21992	1.4
155.05362	12.9
161.04251	1.4
163.00706	3.0
171.04446	2.0
173.06003	1.5
191.05569	3.5
193.01379	3.3
193.85832	1.3
205.12332	2.1
215.03470	11.3
216.03546	1.2
239.11076	100.0
240.11391	8.5
249.05675	2.3
266.21906	1.3
267.06638	1.2
287.05533	1.7
295.06006	1.8
309.11771	2.8
339.08878	1.4
369.01105	2.6
369.09705	15.0
369.14377	2.3
369.22986	1.6
370.10065	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	6.7
59.01374	100.0
59.86755	4.2
64.74705	3.3
69.49391	28.2
71.01377	8.3
82.95419	38.7
86.94669	4.1
96.95976	3.6
98.20581	6.6
101.02390	5.5
113.02455	4.1
113.84117	3.9
118.98055	10.0
121.02906	4.9
125.02369	5.5
137.02422	5.9
139.65367	3.6
140.60497	3.5
143.89964	3.6
147.08150	56.7
161.04549	7.7
180.42928	3.8
190.15965	3.8
283.21545	4.2
318.66434	4.9
339.08868	4.9
369.22800	5.3
392.18161	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	369.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	50.4
59.32201	7.9
61.98815	35.6
69.03451	100.0
70.93532	18.4
71.01360	19.9
71.04554	7.7
72.99327	7.3
79.01923	10.4
80.87225	7.8
85.02966	13.9
93.03432	18.2
96.95988	29.1
97.02950	21.6
99.00866	24.9
101.02432	14.7
107.98972	8.0
109.02895	8.9
121.02934	9.2
125.02405	17.9
137.02411	18.6
139.08861	8.2
141.01910	12.2
177.01918	8.5
179.03465	13.9
185.00890	50.8
191.05537	18.5
193.01364	17.0
211.55983	8.6
237.84818	7.6
306.69064	8.3
325.11667	13.1
369.12018	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01375	100.0
60.01710	1.2
61.98826	6.2
69.09074	0.4
71.01385	7.8
71.62312	0.6
72.09469	0.5
72.99296	1.3
73.02949	2.0
75.00883	0.6
78.91882	2.4
79.95721	2.9
80.91657	0.8
80.96519	0.9
81.03424	0.6
83.01389	1.5
85.02943	4.0
87.00871	7.0
89.02436	4.0
89.38810	0.4
93.03452	23.1
94.03793	0.9
95.01367	0.8
96.96004	31.7
98.95594	4.2
98.96365	0.6
99.00901	0.5
101.02438	5.5
107.05047	0.6
108.02149	0.6
109.02962	0.9
111.00879	0.4
111.04491	0.6
113.02450	4.7
115.00372	0.8
119.03499	1.5
119.05026	1.2
119.43288	0.5
120.99708	0.6
121.02978	2.4
123.04512	3.9
125.02459	1.3
125.06099	1.0
129.01930	0.7
131.04959	0.5
133.02980	1.1
135.03004	0.8
135.04514	15.7
136.01672	1.1
136.04897	0.6
137.02435	28.1
138.02763	1.1
143.07170	0.9
144.04649	0.7
145.02945	2.4
145.06595	0.8
145.08691	0.6
147.04501	1.4
149.02457	1.5
149.06143	0.5
151.03998	13.6
151.05241	0.8
152.04366	0.7
161.02432	1.8
161.04584	3.1
161.05817	0.6
163.03987	4.4
165.05566	1.0
171.10223	0.5
173.04539	1.1
175.02521	1.1
175.04019	1.2
177.05609	1.8
179.03477	34.9
180.03827	1.8
187.97841	2.0
188.98567	0.5
189.05492	0.9
190.99919	1.1
191.03589	0.5
191.05577	2.6
193.05081	1.0
200.98666	1.7
201.99440	1.1
207.02956	16.1
207.06387	0.6
208.03282	1.0
208.06021	0.7
209.04605	0.9
221.04587	0.6
229.98882	0.8
230.99617	4.6
249.03972	3.7
279.05145	0.7
289.07233	0.6
289.16705	1.6
307.08377	2.1
307.11804	0.4
309.06210	2.4
309.15524	3.0
351.01563	0.6
369.02954	11.4
369.08295	1.9
369.12222	20.6
370.03287	1.1
370.12344	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	369.122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47129	0.3
54.23576	0.3
57.03439	0.7
59.01379	2.1
61.98817	0.4
70.74337	0.9
71.01385	1.2
72.99314	0.3
73.02940	0.4
79.95743	1.5
83.01366	0.4
85.02941	0.7
87.00858	1.3
88.60834	0.3
93.03439	4.6
96.24024	0.3
96.96002	100.0
97.02920	0.4
97.95932	0.4
101.02438	1.3
101.06061	1.5
107.08649	0.5
117.03443	0.6
119.05018	0.7
120.00561	0.3
121.02962	0.9
123.04510	1.6
125.06111	0.4
129.01950	0.4
135.04486	2.5
137.01427	0.4
137.02429	6.7
138.02750	0.5
141.01917	0.3
143.07152	0.4
145.02959	3.0
147.04477	1.2
151.03975	3.9
161.02393	0.5
161.04530	0.3
163.03978	1.9
163.11270	0.4
165.05582	1.9
169.79240	0.4
177.05560	1.6
179.03482	8.5
180.03860	0.6
191.05560	0.6
192.00636	1.3
207.02939	3.5
208.03340	0.5
209.04524	1.0
229.54239	0.3
249.03993	1.2
279.05081	1.3
289.16574	1.7
309.06104	2.9
369.08502	1.6
369.12155	43.1
370.12411	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
57.17568	0.3
59.01093	0.5
59.01376	7.9
61.98829	3.5
64.27842	0.3
65.12974	0.3
67.01873	0.4
71.01380	2.6
71.05006	0.4
71.61932	0.4
72.99273	0.3
73.02925	0.5
73.36178	0.3
78.91836	0.5
79.95739	3.6
82.95444	0.6
83.01396	0.5
83.05018	0.5
85.02946	1.6
87.00897	2.4
87.04486	0.4
89.02434	1.6
93.03448	8.4
94.03777	0.6
95.01383	0.6
96.96001	100.0
98.95570	1.5
98.96375	0.5
101.02459	2.0
109.02950	0.8
113.02427	1.3
119.03510	0.4
121.02943	0.8
123.04517	2.3
125.02441	0.4
125.06046	0.6
127.00330	0.4
127.04005	0.4
129.01953	0.4
133.02921	0.9
135.04500	6.7
136.01680	0.3
137.02432	10.6
138.02768	0.5
139.34175	0.3
143.07117	0.8
145.02971	0.5
147.02930	0.4
151.03986	4.6
152.04303	0.3
155.07159	0.5
161.02420	0.7
161.04472	0.4
163.04015	1.9
169.01443	0.3
173.04567	0.6
175.02496	0.4
175.03937	0.5
177.01892	0.5
177.05550	1.1
179.03477	14.2
191.05582	4.4
192.00597	0.8
195.02933	0.3
196.51944	0.3
207.02960	5.9
208.03291	0.6
221.04597	0.4
230.99628	0.5
249.03996	1.5
253.14671	0.4
271.15579	0.6
289.16550	4.1
307.08289	1.3
309.06058	0.6
369.02582	1.5
369.12195	47.2
370.08075	0.7
370.12436	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	369.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03442	0.5
59.01380	2.8
61.98833	0.6
63.92342	0.2
69.80239	0.4
69.80658	0.9
71.01377	3.1
73.02945	1.4
83.01376	0.7
85.02934	2.1
87.00872	0.3
89.02423	0.6
93.03438	0.4
96.95997	3.5
97.96696	0.2
99.00869	0.7
101.02429	3.3
111.29455	0.2
113.02447	1.3
117.03460	22.7
118.03781	1.2
119.05014	5.2
120.99640	1.0
121.02926	0.5
123.83274	0.2
125.02433	1.9
133.02950	0.3
137.02449	0.5
141.10928	0.2
143.78578	0.2
145.02939	100.0
146.03271	5.6
151.00334	0.9
155.24396	0.3
161.02483	0.3
161.04536	0.8
163.02698	0.5
163.03996	7.2
164.04282	0.7
189.44406	0.2
191.05594	0.5
194.66019	0.2
203.03438	0.6
229.14441	0.5
247.02489	1.5
289.16745	0.4
295.02759	0.6
369.11862	44.8
370.12186	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	369.1186
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
50.73714	0.4
53.18645	0.4
57.03416	0.5
59.01381	2.8
70.59119	0.5
70.59470	1.2
71.01365	2.6
73.02935	1.2
73.30289	0.4
76.41220	0.4
82.21611	0.4
83.01382	1.1
85.02961	2.1
87.00841	0.4
89.02507	0.5
98.20588	0.5
99.00842	0.5
101.02435	3.1
113.02432	1.3
117.03460	22.3
118.03788	0.9
119.05007	4.8
145.02940	100.0
146.03308	4.5
147.55295	0.5
161.04550	0.6
163.03998	8.6
166.83463	0.4
182.08072	0.4
223.08124	0.5
232.85394	0.4
237.25140	0.4
245.18509	0.5
252.61554	0.4
369.11847	41.3
370.12115	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	369.0821
Annotation	6,7-Dihydroxy-5-methoxycoumarin 6-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.45633	0.8
55.49321	0.8
59.01370	9.7
67.78101	0.8
67.85236	0.7
68.65470	0.9
70.49406	2.5
70.49744	0.9
71.01374	4.0
73.02945	0.9
80.21352	0.8
85.02953	1.4
87.00849	13.6
89.02423	2.3
93.03447	70.2
93.83856	0.9
94.03789	2.3
96.96001	28.6
101.02428	2.1
113.02428	3.6
119.05023	1.1
121.02959	1.0
123.04482	3.5
125.02359	0.9
135.04517	43.1
136.01585	0.9
136.04869	1.0
137.02432	100.0
138.02756	3.9
145.02945	2.6
146.45464	0.8
151.04007	16.3
161.02455	2.0
163.03995	16.4
177.05565	3.9
179.03481	72.8
180.03778	3.4
192.00618	1.6
207.02957	62.1
208.03374	4.2
209.04457	1.2
249.03967	2.6
364.35129	1.0
369.08102	5.8
369.12152	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	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01706	1.5
71.01380	3.3
71.62753	1.7
82.07089	1.0
85.02974	1.6
89.02439	2.2
96.96008	15.1
101.02449	1.8
102.98568	1.6
103.05530	1.1
113.02431	3.4
120.99591	1.2
121.02944	13.9
125.02403	1.1
127.00194	1.2
133.06604	1.8
137.09659	1.6
147.04504	79.1
148.04849	4.0
151.00304	1.1
151.04048	1.1
161.04561	1.6
161.05959	2.0
161.09700	1.5
187.11156	1.0
189.05557	2.3
207.06529	1.0
239.11055	5.0
268.34503	1.2
368.74646	1.2
369.12158	4.8
369.19531	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	367.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
61.98810	0.6
70.76733	0.9
70.77072	0.5
74.50793	0.4
76.16341	0.4
76.72934	0.3
78.12605	0.4
91.62493	0.4
93.11407	0.4
133.06558	1.9
149.09702	78.3
150.10036	4.9
155.88719	0.4
189.12849	0.6
205.15944	75.9
206.16307	5.9
367.26352	100.0
368.26694	17.4
368.31479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01377	0.4
57.03448	0.4
59.01373	7.8
61.98824	100.0
71.01376	2.6
71.61222	0.4
73.02949	1.2
75.00879	1.7
79.95731	0.4
81.95329	0.5
84.95145	0.5
85.02937	2.1
89.01950	0.4
89.02422	2.4
93.03471	1.7
95.01394	0.7
96.95988	4.2
98.95605	3.1
98.96391	0.4
101.02448	2.0
109.02940	1.0
109.11981	0.4
113.02433	1.3
123.00854	0.6
123.04535	0.7
125.02430	3.2
133.02950	1.6
135.04515	0.5
137.02457	1.5
139.04005	0.6
148.05263	0.4
151.03972	2.6
161.04555	1.5
163.03944	0.5
165.01994	0.6
166.99817	0.8
167.03545	0.8
173.04613	0.6
177.02016	0.5
179.03481	2.4
191.05588	11.4
195.02975	0.5
207.03023	0.6
219.27779	0.5
249.07819	0.5
251.05634	1.0
265.26254	0.4
289.00189	1.1
305.06613	4.6
308.14441	1.2
309.15378	2.4
368.05801	2.4
368.10535	0.6
369.08578	1.5
369.12527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.4
59.01373	2.4
61.21088	0.3
61.98809	0.6
71.01377	1.1
71.38208	0.6
72.99290	0.6
76.43883	0.3
77.46148	0.3
82.95409	1.5
83.05009	0.4
85.02941	8.1
87.00862	1.7
89.02444	0.4
91.00309	0.5
93.03453	4.2
96.69505	0.3
96.96009	3.0
100.03278	0.3
100.34096	0.3
109.02942	0.7
111.04519	1.1
111.23000	0.3
113.02421	0.4
115.59040	0.3
119.09516	0.4
121.65903	0.4
127.04021	2.0
133.02942	17.5
134.03273	0.7
135.04526	1.1
137.02438	1.8
145.02916	0.6
151.03964	3.1
163.03972	0.4
171.02998	0.5
173.04535	0.9
177.01915	6.0
178.02269	0.4
179.03412	1.6
189.13173	0.3
191.05586	100.0
192.05931	5.3
207.02888	0.9
369.08136	7.9
369.12268	1.3
370.08698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01706	2.0
61.98825	0.8
66.69448	0.5
69.70858	0.9
69.71265	2.6
71.01382	5.1
73.02930	5.2
77.09081	0.5
77.19931	0.5
83.01395	0.8
84.06165	0.6
84.27148	0.5
85.02947	2.1
87.00890	1.1
89.02441	1.3
93.03468	2.9
95.10537	0.5
96.95995	5.0
101.02438	4.6
108.02153	0.7
113.02460	2.4
117.03444	15.5
118.98122	0.6
119.05018	6.7
119.28352	0.6
123.04517	1.3
125.02463	1.2
130.52568	0.5
133.39919	0.6
134.03752	1.1
145.02936	61.2
145.08679	1.1
146.03278	2.9
159.04530	0.9
161.04665	3.0
161.05959	1.1
163.03973	8.7
167.03482	7.2
168.03893	0.5
173.04607	1.5
177.05505	0.6
178.53244	0.5
187.03963	3.9
191.03572	1.3
191.05621	2.6
205.05069	1.3
237.61845	0.6
280.16422	0.6
307.08313	0.6
307.17590	10.2
308.18060	1.1
329.08801	2.0
367.10269	4.1
367.14487	0.5
367.18527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01706	2.0
61.98825	0.8
66.69448	0.5
69.70858	0.9
69.71265	2.6
71.01382	5.1
73.02930	5.2
77.09081	0.5
77.19931	0.5
83.01395	0.8
84.06165	0.6
84.27148	0.5
85.02947	2.1
87.00890	1.1
89.02441	1.3
93.03468	2.9
95.10537	0.5
96.95995	5.0
101.02438	4.6
108.02153	0.7
113.02460	2.4
117.03444	15.5
118.98122	0.6
119.05018	6.7
119.28352	0.6
123.04517	1.3
125.02463	1.2
130.52568	0.5
133.39919	0.6
134.03752	1.1
145.02936	61.2
145.08679	1.1
146.03278	2.9
159.04530	0.9
161.04665	3.0
161.05959	1.1
163.03973	8.7
167.03482	7.2
168.03893	0.5
173.04607	1.5
177.05505	0.6
178.53244	0.5
187.03963	3.9
191.03572	1.3
191.05621	2.6
205.05069	1.3
237.61845	0.6
280.16422	0.6
307.08313	0.6
307.17590	10.2
308.18060	1.1
329.08801	2.0
367.10269	4.1
367.14487	0.5
367.18527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2635
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
52.51976	0.4
59.01368	1.1
61.98800	0.5
70.68298	0.9
70.68649	0.4
89.45071	0.4
95.69114	0.4
98.20450	0.5
123.80788	0.4
133.06584	7.9
149.09700	76.0
150.10049	3.7
194.09436	0.6
205.15947	45.3
206.16254	3.7
274.78833	0.4
295.17007	3.7
328.16705	2.5
367.26343	100.0
368.26694	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	367.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91826	2.0
55.10716	1.9
57.03449	2.3
58.75021	1.8
59.01375	15.4
61.98819	2.2
66.04850	1.8
67.32555	1.8
69.03458	1.7
70.49998	1.9
70.50340	4.5
74.04578	1.9
74.96209	3.0
74.97597	1.7
80.73096	1.8
96.95984	3.8
97.02936	8.8
104.30709	2.1
119.07865	2.0
119.08656	4.4
125.09707	2.9
137.09715	9.1
171.10243	25.6
183.10231	2.2
185.11807	5.5
191.05597	2.1
193.08452	2.3
197.11485	1.9
207.10007	3.4
213.11375	2.2
229.04825	4.7
291.19678	6.0
309.20654	19.8
313.17749	4.7
367.16513	100.0
368.17056	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	367.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	21.3
61.98827	100.0
70.12095	12.8
75.00788	3.0
80.04203	2.9
84.78580	3.4
97.02963	3.4
99.00873	9.3
102.30521	2.9
112.62934	2.8
133.20468	2.8
147.11890	3.6
148.34520	2.7
152.53889	2.8
171.10254	7.2
172.80612	2.7
210.12238	2.8
226.51216	2.6
291.19867	6.8
309.20721	8.7
367.16422	49.6
367.21155	16.0
368.16824	4.7
368.21194	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	367.1649
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
55.00616	1.6
57.03429	1.4
59.01377	6.8
61.98818	2.6
63.84077	0.9
67.08611	0.9
69.24887	6.0
69.25315	4.7
71.01387	1.7
74.96172	1.5
83.66834	1.2
99.00881	1.1
119.08672	7.1
124.06416	1.0
125.09691	3.3
127.11230	1.0
137.09712	10.3
137.30475	1.1
138.10065	1.2
142.83882	1.0
155.10721	1.5
167.10687	1.0
169.42693	1.0
171.10251	27.2
183.10243	1.5
185.11830	5.9
197.11748	1.1
199.57126	1.4
207.10046	6.6
209.11787	1.1
213.11266	1.6
229.04797	2.6
245.19086	1.2
273.18634	2.6
291.19699	6.1
309.20670	33.6
310.21048	4.0
313.17834	4.8
323.22443	1.6
349.14185	1.4
364.13052	1.1
367.16510	100.0
367.20853	4.6
367.28598	2.4
368.16849	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	367.1653
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
55.74175	0.8
59.01380	5.6
61.26656	0.8
62.12189	0.8
69.03448	2.2
71.01391	1.0
83.05006	1.7
85.02971	1.5
92.05078	2.0
96.96015	1.3
97.02947	18.0
98.20727	1.6
99.00890	3.4
100.07684	3.0
119.08686	1.4
136.04060	3.0
137.09705	5.3
171.10239	11.4
185.95752	1.3
221.11824	2.3
222.09230	2.7
233.11526	1.5
239.12860	1.6
253.53990	1.0
291.19562	4.3
309.17123	1.7
309.20697	24.2
310.21008	3.3
313.17889	2.1
367.16531	100.0
367.20657	3.6
368.16800	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	367.1649
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01376	33.0
59.98512	31.1
61.98816	7.3
64.06435	5.1
69.85898	23.8
71.01394	5.6
73.95406	52.5
74.96175	46.7
75.00858	5.0
80.42089	4.5
88.84884	4.3
89.94894	100.0
93.03415	4.7
115.96461	7.3
117.94335	5.2
121.10234	5.4
128.97249	19.6
157.00380	39.5
171.01865	5.9
180.62715	4.6
232.04793	18.1
262.58447	5.0
265.17920	6.0
281.09183	10.8
291.19733	11.2
293.21118	14.2
295.22806	12.0
313.17871	47.4
315.19260	9.7
335.14014	5.3
349.23593	6.5
351.15668	4.8
367.16599	36.5
367.24585	21.6
393.99039	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	367.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	19.5
65.58857	11.0
69.40643	100.0
87.17308	10.7
96.96010	18.8
125.02332	17.0
135.04465	14.2
137.02361	19.2
145.03004	18.8
147.73441	14.2
165.01959	21.3
172.05365	17.0
191.05563	13.3
201.09189	29.6
248.04382	11.7
261.08829	16.2
331.70972	12.3
367.14810	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	9.0
59.01381	51.2
59.62553	6.4
61.82143	6.6
69.99212	6.1
95.41656	6.1
96.96030	14.2
101.06033	9.7
122.03781	6.9
173.09584	8.1
187.11253	11.7
205.10532	8.5
205.12276	100.0
205.14009	9.6
206.12593	13.2
214.23483	7.6
367.14743	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03223	1.1
57.03450	1.3
59.01375	8.8
61.98820	2.6
68.41896	1.4
69.03453	2.3
71.01363	1.5
71.62546	1.7
75.00848	1.2
77.50650	1.4
83.04989	1.7
94.76603	1.1
96.96001	1.4
97.02946	1.5
99.00874	4.3
104.91745	1.0
107.29520	1.1
119.08656	4.6
120.47753	1.1
122.84460	1.3
125.09663	2.3
137.09711	10.2
155.10782	1.6
171.10231	24.9
185.11784	5.6
197.11807	1.7
207.10039	2.8
213.11386	2.0
229.04832	5.1
232.46962	1.3
248.47095	1.2
273.18591	2.8
291.19525	7.2
292.19858	1.8
293.21561	1.2
305.21286	1.5
309.20630	14.1
313.17798	3.4
343.37711	1.4
367.16498	100.0
367.20895	5.0
368.16870	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	367.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94886	0.2
59.01376	2.4
70.75888	0.4
70.76234	0.6
84.84595	0.3
109.53067	0.3
121.02935	1.2
147.04509	1.9
148.05287	100.0
149.05605	5.9
163.07628	73.2
164.07938	4.8
285.03769	0.3
333.86334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.3
59.01377	68.3
61.98799	7.7
66.76769	6.5
69.98376	32.3
85.02921	9.2
88.94012	6.1
96.96037	14.0
98.20531	7.7
100.16280	7.2
101.02437	6.2
101.06047	12.8
107.34660	6.9
116.86648	6.1
145.02901	9.0
147.08102	11.3
156.38551	7.3
178.30745	6.5
179.29512	6.3
187.11221	13.2
189.09164	7.2
191.05518	13.9
203.07233	5.7
203.10835	9.3
205.12306	100.0
206.12604	10.5
243.81195	6.4
278.72946	5.9
337.46204	5.7
351.38776	6.0
367.14374	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
59.01375	7.0
61.98807	0.6
65.92756	0.4
67.01881	0.7
70.62630	0.5
70.62983	1.1
71.01367	2.7
73.02940	2.1
83.01394	0.6
85.02948	8.0
87.00878	2.4
87.04515	0.4
88.56088	0.4
89.02452	0.8
93.03455	5.5
96.96003	2.1
99.04497	0.7
101.02447	1.4
109.02916	0.8
111.04526	1.2
117.03458	15.7
118.03795	0.9
119.05003	2.5
127.04021	2.0
134.03687	2.6
138.34016	0.4
145.02939	68.2
146.03291	4.5
159.04477	0.4
160.01569	0.7
161.04674	0.5
161.06100	0.9
163.03987	5.6
171.02959	0.9
173.04549	2.0
187.04060	1.9
191.05589	100.0
192.05948	5.2
193.04955	1.1
205.12309	0.8
238.36719	0.4
283.86996	0.4
367.10364	4.9
367.14633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
59.01374	85.7
60.01712	1.1
61.98823	1.0
68.98296	0.4
69.03457	0.5
69.55716	2.5
69.56142	0.9
71.01376	6.1
73.02943	5.7
74.99104	0.5
83.01395	1.5
83.05032	0.5
85.02938	1.4
85.93122	0.5
87.00862	1.1
87.09126	0.4
89.02470	0.5
93.03455	3.2
95.01398	0.6
96.95991	4.9
97.02985	0.8
99.00866	0.7
101.02424	4.8
113.02451	3.0
117.03453	23.5
118.03789	0.9
118.62944	0.5
119.05009	9.1
123.04533	2.6
125.02428	0.7
131.04968	0.6
132.05893	0.5
133.06595	1.3
134.03738	1.0
145.02936	100.0
146.03265	5.4
158.03719	0.7
159.03090	0.5
159.04498	1.7
161.04558	1.7
161.06055	2.3
163.03987	12.7
164.04321	1.0
167.03467	9.8
168.03874	0.6
173.04573	1.0
173.05997	0.5
177.05562	0.7
187.02452	0.8
187.03993	8.4
188.04279	0.5
191.03476	1.7
191.05547	2.6
191.07068	1.1
205.04996	1.7
209.04588	1.2
217.05003	0.7
287.52097	0.6
288.93918	0.5
307.08072	0.9
307.17578	9.3
308.17920	1.3
329.08722	3.3
367.10297	5.6
367.18616	0.8
368.10559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90447	0.3
52.45408	0.2
53.54461	0.3
59.01368	2.3
61.98824	100.0
68.60416	0.3
69.94095	1.3
71.01368	0.9
72.99299	1.0
77.83210	0.3
85.02941	0.5
89.02464	1.0
96.96010	1.2
99.00837	0.4
101.02445	0.4
112.98804	0.3
117.01936	0.9
120.99621	0.3
125.02424	0.4
125.06077	0.4
137.02382	0.4
142.99861	1.1
143.84450	0.3
149.06047	0.3
153.05511	0.4
161.04613	0.3
167.07155	0.6
170.66939	0.3
173.00832	0.6
174.01694	0.8
258.03036	0.3
271.08218	0.5
274.18756	0.4
276.20404	0.9
307.17563	1.3
321.20660	0.4
322.20990	5.3
323.21255	0.4
337.36841	0.3
342.76736	0.3
345.58997	0.3
366.19971	14.7
367.20331	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
60.99296	1.6
61.98813	0.8
67.01877	3.9
69.03447	1.2
71.01395	2.3
71.07475	0.9
73.02952	0.7
81.03455	1.0
83.05000	0.7
85.02951	5.0
87.00864	7.9
93.03450	30.3
93.85677	0.4
94.03804	0.8
96.96001	6.6
99.00856	0.6
99.04511	0.6
109.02916	0.5
110.37453	0.5
111.04493	4.4
113.02438	0.6
117.03465	3.4
119.05002	1.3
127.03986	1.2
134.03723	13.7
135.04065	0.6
137.02402	0.5
140.45953	0.5
145.02934	7.6
146.03362	0.4
149.06058	0.8
155.03430	1.4
163.04050	0.6
173.04520	12.7
174.04883	0.4
175.04001	0.7
191.05586	100.0
192.05872	4.4
193.04997	6.6
194.05354	0.5
226.99364	0.5
309.41647	0.5
367.10413	8.4
368.10721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53688	0.7
55.01862	1.5
57.03432	1.3
58.00582	1.1
59.01376	36.6
70.18038	2.1
71.00989	1.0
71.01377	19.4
71.05015	1.4
72.99294	0.9
73.02949	3.6
83.01369	3.1
85.02948	6.7
87.00885	1.5
87.04505	25.2
89.02428	6.0
95.01372	1.0
96.95998	15.8
98.20008	0.8
99.00859	1.8
99.04507	1.3
101.02434	15.7
101.06072	45.8
102.06427	1.3
113.02417	5.5
117.30360	0.7
119.03495	1.9
125.02444	0.9
127.11279	0.9
129.05547	6.6
131.07089	0.9
138.47646	0.6
139.11275	1.5
150.62569	0.8
157.12315	3.7
159.01007	0.9
161.04655	0.8
180.56090	0.6
185.11816	2.7
189.07758	3.0
203.12819	9.8
224.06667	0.6
305.15912	0.9
333.09927	0.8
347.17200	1.0
350.93958	0.7
365.08771	5.0
365.14240	26.9
365.18085	100.0
366.14633	2.1
366.18423	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	365.1965
Annotation	Coetsanoic acid
Peak:m/z	Relative Intensity
50.23063	0.3
59.01356	0.8
61.98824	14.0
69.03426	1.1
69.64774	1.6
76.37302	0.2
85.02882	0.3
96.95956	0.5
98.19963	0.5
101.06068	0.3
129.07011	0.3
129.25946	0.3
137.09669	1.2
166.14494	0.3
174.11644	0.2
215.90041	0.3
229.15846	0.7
245.19025	3.5
246.19376	0.4
255.17522	0.8
257.15485	0.4
257.18994	1.4
259.16949	1.9
261.59189	0.3
262.46512	0.3
273.18576	1.8
275.20142	6.7
276.20480	1.4
277.21594	0.3
293.21210	0.5
301.17963	0.4
319.18964	2.6
321.20667	37.7
322.21078	4.5
365.19635	100.0
366.19971	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	365.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93181	4.2
56.47862	4.1
59.01374	42.5
61.98822	9.4
62.54884	4.2
63.02443	4.1
70.07186	4.5
70.76611	8.7
70.76937	6.7
89.41940	4.1
96.96009	11.6
101.02331	4.5
102.34357	3.9
116.14250	3.9
121.10220	31.4
122.19834	3.8
124.91959	4.5
144.60147	3.9
146.15779	3.9
168.13918	7.5
171.10255	51.5
197.95804	4.8
201.02492	9.3
203.53967	4.0
260.71484	5.2
275.17267	7.2
275.20120	100.0
276.20477	15.6
285.03870	4.4
293.21179	51.8
294.21637	6.1
329.22812	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	365.2329
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
57.03431	1.2
59.01377	7.0
60.09665	0.6
61.98824	0.6
65.00311	2.0
70.83089	1.8
81.03457	9.6
83.01376	1.1
83.05047	0.8
96.96019	0.9
107.01393	1.1
122.03742	4.2
125.02430	9.4
151.00293	1.1
151.86931	0.6
152.13965	0.6
169.76625	0.6
188.63283	0.6
201.02505	1.5
203.05345	0.6
204.18477	0.6
215.15305	0.6
245.67236	0.6
255.23114	0.7
277.21667	1.5
279.23270	3.2
281.21066	1.4
293.24832	1.0
303.23218	2.0
321.20477	0.9
321.24280	14.9
322.24664	2.2
347.22180	0.7
347.25873	2.9
365.23270	100.0
366.23572	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	365.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	100.0
62.08654	17.8
63.69727	18.1
71.62350	30.3
77.36293	19.7
99.53600	19.6
101.98439	19.2
111.20771	19.3
139.23732	21.1
163.57216	20.6
283.26340	34.0
365.26642	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
52.12251	0.8
59.01375	6.3
61.18678	0.7
71.51734	1.1
85.06580	2.8
146.79579	0.8
148.25928	0.8
151.00740	0.9
164.75389	0.8
195.75179	0.8
196.75006	0.7
199.13330	2.7
201.02486	1.1
259.08682	0.8
279.19614	19.3
280.19922	1.8
283.26535	1.6
347.25830	11.2
348.25873	1.0
363.25302	1.1
365.26904	100.0
366.27206	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	366.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.8
65.12781	0.2
70.62090	0.7
71.01370	0.5
79.95737	0.3
85.02924	0.2
86.56507	0.2
89.02446	1.4
89.88678	0.2
96.96007	2.6
98.95581	0.5
101.02417	0.5
110.70190	0.2
113.02438	0.2
116.05053	3.4
119.03411	0.2
123.04482	0.2
152.01262	0.2
159.03282	0.5
160.04024	100.0
161.04388	6.2
167.03520	0.4
174.01968	0.3
179.05615	0.7
181.02396	0.2
204.03003	4.6
205.03348	0.3
217.80728	0.2
299.07156	0.2
307.14151	0.2
366.08362	19.1
367.05093	0.3
367.08713	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88983	0.6
55.01875	1.6
56.32599	0.6
57.03452	1.4
59.01376	58.9
60.01697	0.6
66.65734	0.6
69.35788	1.1
69.36190	4.9
71.01377	13.8
72.99306	1.1
73.02942	35.5
83.01362	2.9
85.02947	8.7
86.00096	0.6
87.00885	1.2
89.02442	4.4
95.01387	1.5
96.96007	4.7
99.00881	3.0
101.02441	14.5
101.06082	1.8
113.02448	6.2
119.03516	0.8
125.02531	0.6
132.82014	0.6
142.06651	1.2
143.03479	1.0
158.06010	0.6
159.03000	1.1
161.04510	4.8
168.02972	1.0
182.35068	0.6
186.05576	2.2
211.92908	0.6
230.05951	0.6
241.33400	0.6
291.14413	0.9
305.16037	4.6
347.17053	2.7
365.18127	100.0
366.18402	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	365.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
59.01375	100.0
60.01714	0.9
68.74965	0.5
71.01373	7.4
71.62523	0.7
72.99300	0.7
73.02954	2.2
74.56348	0.6
75.00864	1.0
79.95732	0.8
83.01404	1.7
85.02942	4.6
89.02439	8.4
96.95998	15.5
97.06587	3.5
101.02435	6.9
111.00874	0.8
113.02471	4.1
117.05579	0.6
119.03519	3.2
129.01921	0.9
147.04472	0.6
152.17523	0.5
155.60400	0.5
159.06630	1.6
161.04544	2.3
175.04057	0.6
179.05611	1.8
185.11732	1.0
203.12871	1.7
207.25833	0.5
216.31073	0.5
258.32144	0.7
305.16031	4.4
306.16702	0.7
347.17087	2.5
365.05042	1.1
365.09363	3.6
365.14203	2.9
365.18152	22.7
366.18567	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	365.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47688	0.4
51.20507	0.3
54.49063	0.4
60.06155	0.3
69.90064	0.9
69.90476	1.0
79.95729	12.4
80.96524	0.9
93.03438	0.9
95.95233	0.6
96.96001	100.0
118.24287	0.4
121.02951	3.4
123.04497	4.6
138.97032	3.1
144.85548	0.3
148.37625	0.3
203.00140	2.5
259.01331	2.3
365.05411	54.0
366.05710	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	365.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90818	0.4
59.01366	0.5
67.33594	0.2
71.37734	0.3
76.05467	0.3
79.95734	11.0
80.96510	0.9
93.03455	0.6
95.95213	0.4
96.96004	100.0
97.95947	0.5
107.05003	0.5
113.02377	0.3
121.02956	3.6
123.04515	3.7
124.04843	0.3
135.04520	0.4
138.97073	2.4
152.01102	0.3
160.04031	1.3
162.49287	0.3
167.03470	1.0
187.77347	0.3
203.00215	2.5
251.95822	0.3
259.01221	2.6
287.47763	0.3
365.05420	53.2
366.05600	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	365.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03461	1.1
58.00588	1.5
59.01376	35.9
59.98132	0.6
60.93564	0.6
69.79644	1.0
69.80052	2.4
71.01377	19.1
71.05026	1.1
72.99299	1.8
73.02950	4.1
73.62352	0.6
74.07965	0.6
83.01374	2.5
85.02937	7.1
87.00873	0.8
87.04508	25.1
89.02445	6.5
95.01382	1.2
96.96005	18.8
97.02956	0.7
99.00869	2.0
99.04511	1.8
101.02437	14.5
101.06071	52.9
102.02776	0.8
102.06409	1.3
113.02450	5.9
119.03479	1.7
121.09119	0.7
124.28851	0.7
125.02399	1.0
127.11325	0.7
129.05574	6.1
139.11258	0.8
143.03442	1.1
155.10843	0.9
157.12332	5.0
161.04549	1.9
173.96509	0.7
185.11838	2.2
189.07666	3.9
203.12865	11.7
221.80885	0.6
234.10695	0.7
253.58192	0.6
305.15860	0.9
347.17188	1.4
365.08774	4.7
365.14255	29.8
365.18097	100.0
366.14633	2.5
366.18600	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	364.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.0
61.98824	100.0
63.61053	0.6
71.01383	3.0
71.61306	0.8
79.95734	9.5
85.02933	1.0
85.24483	0.6
89.02443	3.0
95.01359	0.7
96.95999	98.5
101.02432	2.1
108.02145	1.4
113.02428	1.1
115.09470	0.7
119.03470	1.1
120.77767	0.5
121.02927	3.9
123.04501	5.1
135.78867	0.6
138.97038	2.7
152.01086	1.4
161.04556	1.2
166.04866	0.6
167.03479	1.1
179.05476	1.0
203.00134	2.3
259.01270	3.3
305.12076	1.0
315.07260	3.3
364.15454	0.7
365.05417	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69573	0.4
59.01374	2.5
61.98825	100.0
69.91718	1.1
71.01366	0.3
74.59766	0.3
87.84167	0.4
93.06583	0.3
96.96014	0.8
116.20782	0.3
137.02397	0.5
150.03633	0.3
178.68170	0.4
199.13712	0.3
201.02457	0.4
229.08652	1.2
285.04413	0.3
295.36581	0.4
301.14410	1.2
349.29852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.4
59.29852	0.7
64.26614	0.9
70.17278	2.7
71.01369	4.6
73.33932	0.8
74.99091	0.9
79.95729	10.0
80.96514	0.9
83.01345	1.1
84.42273	0.8
85.02939	1.7
87.00858	1.4
87.86640	0.8
88.04019	2.4
92.05065	2.0
94.34940	0.8
96.96003	100.0
98.20580	0.9
99.00877	3.0
100.04046	1.7
101.02403	1.0
108.02164	1.1
111.00867	1.5
111.04504	1.9
112.98789	10.3
115.00372	1.3
121.02948	3.5
123.04485	3.7
129.01942	2.4
129.05582	1.1
130.05060	1.8
135.04430	1.1
136.99074	1.1
138.97044	2.6
142.99835	9.0
143.51418	1.1
151.60004	0.8
152.01180	0.9
160.04012	1.9
167.03537	4.2
173.00908	10.6
173.04523	2.1
191.05595	5.3
199.77177	1.1
203.00139	1.7
206.10170	0.9
259.01300	2.0
365.05405	48.6
366.05661	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	363.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	28.1
61.98826	5.7
68.53458	5.1
71.31905	6.2
71.62949	7.8
78.24681	4.3
83.01385	8.8
83.21508	4.8
121.76281	5.1
125.02430	100.0
192.28674	5.0
198.38335	4.7
200.69576	4.8
266.92154	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	363.2538
Annotation	18-Acetoxy-cis-clerodan-3-ene-15-oic acid
Peak:m/z	Relative Intensity
52.16020	0.7
57.03436	2.3
58.15789	0.8
59.01352	1.1
65.00316	1.8
72.28939	0.7
81.03450	17.8
83.01394	2.3
95.65521	0.7
98.19826	1.4
107.01376	1.0
111.76842	0.7
115.14585	0.7
122.03736	3.4
125.02426	7.9
139.14426	0.7
151.00320	1.4
155.64755	0.8
162.05963	0.8
202.87769	0.7
255.23456	1.1
277.25339	4.3
279.23206	8.9
319.26373	40.4
320.26715	5.8
345.24136	0.8
363.25360	100.0
364.25613	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2175
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
57.03430	1.4
59.01379	5.5
61.98814	0.8
70.05876	2.3
71.01372	1.8
71.05003	0.8
73.02939	1.3
81.03462	0.6
83.05011	2.6
85.02947	3.6
93.03449	0.7
95.05019	1.5
95.64794	0.5
96.96012	1.2
97.02982	0.9
97.06577	0.8
99.04532	1.4
103.35522	0.5
107.05015	2.1
108.02177	0.9
109.02908	0.9
109.06580	3.6
109.45167	0.4
111.04506	1.0
121.02956	1.0
123.04496	3.1
125.02419	0.8
125.06062	1.3
127.03998	1.1
128.07588	0.4
135.04509	1.7
137.06050	2.7
139.04013	1.0
140.04758	0.7
147.08145	0.6
149.09700	3.2
151.04007	3.3
151.07614	3.8
151.11212	0.5
153.05630	1.0
153.43420	0.5
169.05057	5.5
172.03757	10.5
173.03983	0.6
175.07652	3.2
178.06337	5.7
179.07054	0.5
193.08665	3.7
195.06592	0.8
206.63402	0.5
211.09692	1.1
213.07614	1.2
299.67844	0.5
327.21799	1.8
345.20618	1.5
363.21732	100.0
364.22055	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	363.1809
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
59.01355	2.1
63.89576	0.7
69.54560	5.4
70.30518	0.6
71.75671	0.7
100.15180	0.7
102.28080	0.8
137.09703	1.6
165.05443	0.8
165.09172	1.0
197.94269	0.9
241.15950	35.5
242.16330	2.9
255.17508	3.1
257.19061	15.1
258.19476	1.7
267.64600	0.7
275.20068	3.6
283.02472	1.1
283.17068	3.8
301.18039	47.4
302.18326	5.8
319.19150	6.6
320.19354	0.8
345.17020	11.6
346.17502	1.0
362.94797	0.9
363.18082	100.0
364.18457	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2174
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.61389	0.4
57.03444	2.7
59.01376	9.0
61.98812	1.4
65.00304	1.2
68.99805	0.6
76.32166	0.4
80.02679	0.6
81.02974	1.0
81.03451	19.8
82.03791	0.7
83.01370	2.1
90.20542	0.4
96.96020	0.8
104.05054	0.4
107.01375	1.3
107.65302	0.4
121.02966	0.7
122.03743	1.1
125.02439	17.7
126.41555	0.5
137.65190	0.4
151.00334	1.1
162.03076	0.6
209.19044	1.7
219.06870	1.5
229.53027	0.6
233.19035	0.8
235.20587	3.2
237.18622	3.0
249.22198	1.0
251.20212	0.7
253.21667	0.6
255.19386	0.5
259.20673	2.0
277.21707	4.5
279.19583	1.3
301.21548	1.1
302.16824	0.6
303.16632	3.0
319.22726	16.4
320.23135	2.0
337.27313	0.5
345.20691	1.0
351.42435	0.5
363.21725	100.0
364.22064	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	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62513	0.5
59.01373	75.8
60.01715	1.2
61.98824	100.0
66.52417	0.7
70.06268	0.5
71.01373	5.7
71.07555	1.6
73.02945	2.0
75.00857	0.6
85.02975	3.2
89.02426	4.1
101.02445	4.6
113.02467	2.0
119.03501	1.4
124.04036	0.6
145.02950	2.4
150.03203	1.3
152.01187	0.9
161.04503	3.6
165.05565	1.4
167.03473	1.3
179.05641	0.6
183.06651	0.7
195.06581	0.6
201.05606	1.7
223.81276	0.6
303.14224	0.7
319.18106	0.6
325.09360	0.8
363.16455	7.7
363.20273	1.0
364.16718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47471	0.4
57.03446	1.2
59.01375	100.0
60.01712	0.9
61.98825	51.4
63.58935	0.4
69.84452	0.9
69.84840	1.3
71.01374	7.2
72.99311	0.9
73.02951	2.2
73.45795	0.4
83.01382	0.6
85.02954	3.9
87.00842	0.5
89.02438	5.9
95.01422	0.5
98.20637	0.5
99.00913	0.6
101.02432	4.8
103.51482	0.5
111.00884	0.8
113.02447	3.9
119.03515	2.0
119.05035	2.2
120.99651	1.3
134.06075	0.7
139.07649	1.2
143.03537	0.5
145.03003	1.5
145.45775	0.5
147.04524	0.7
150.03236	1.0
151.05827	0.5
161.04521	4.7
163.04013	3.3
165.05556	3.4
174.01682	0.5
179.05679	1.2
183.10327	1.8
200.80864	0.5
201.05647	1.3
201.11230	0.9
221.08218	0.8
257.13031	0.6
325.09393	0.9
327.10983	0.7
327.14590	0.5
363.07422	0.6
363.12012	1.0
363.16525	9.7
364.17062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	56.4
67.86557	1.8
69.76002	5.2
69.76422	6.6
70.39196	1.8
71.01380	22.2
72.99296	4.3
73.02940	5.0
73.50106	1.8
82.47683	2.3
83.01366	3.0
85.02953	11.2
87.00848	4.3
89.02427	14.4
101.02432	18.1
107.59133	2.2
108.04514	3.8
113.02416	8.8
119.03477	5.2
119.05006	11.5
120.99631	5.0
123.03218	5.0
133.06609	2.3
136.07689	12.5
138.05591	31.0
143.78712	2.0
145.02982	11.4
148.04037	2.2
161.04512	4.4
161.05959	5.0
163.04005	16.4
165.05511	8.5
177.05452	3.4
182.04451	2.3
183.10258	15.0
201.11208	7.4
205.05049	9.5
214.12311	2.9
227.08296	11.4
235.06042	12.0
236.06421	1.9
241.09540	2.1
242.10539	11.2
257.12924	65.9
258.13162	6.0
265.07098	22.2
266.19543	1.9
287.10062	2.3
325.09082	5.5
345.10794	9.0
345.14841	2.9
363.12289	3.5
363.16513	100.0
364.16919	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	363.148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.6
59.01381	2.8
60.97530	1.1
63.96234	7.3
69.89054	3.0
70.52134	0.6
71.01355	1.1
71.05013	1.0
71.06381	0.6
72.99306	7.0
73.98318	4.8
74.99091	6.0
76.97007	3.8
79.95731	6.4
80.96521	1.3
81.03429	0.9
87.00869	22.1
87.68797	0.5
88.01221	0.6
88.24999	0.6
89.00642	1.8
98.03719	2.2
98.19912	0.8
101.06037	1.2
111.08126	2.2
117.97304	1.4
119.05013	0.9
120.99633	1.5
123.08136	1.6
125.06051	1.9
131.25835	0.7
132.99648	19.1
133.00641	1.0
135.98344	3.0
136.99088	0.8
137.09651	0.7
139.06589	1.0
139.07643	16.1
139.12598	0.5
140.07954	1.1
141.09216	23.1
142.09554	1.1
149.06047	1.8
151.00697	45.4
152.00989	1.2
155.10706	1.8
161.09700	0.7
163.11301	1.4
165.09184	1.0
179.10768	1.1
187.11259	2.1
189.09148	1.0
190.09903	1.1
199.06120	0.8
199.09750	0.7
201.05504	1.5
205.12306	10.6
211.13371	1.6
239.11095	3.3
257.12143	10.8
258.12411	1.1
275.13156	1.7
345.13672	1.2
363.14761	100.0
363.23608	6.6
364.15045	10.6
364.24362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	56.4
67.86557	1.8
69.76002	5.2
69.76422	6.6
70.39196	1.8
71.01380	22.2
72.99296	4.3
73.02940	5.0
73.50106	1.8
82.47683	2.3
83.01366	3.0
85.02953	11.2
87.00848	4.3
89.02427	14.4
101.02432	18.1
107.59133	2.2
108.04514	3.8
113.02416	8.8
119.03477	5.2
119.05006	11.5
120.99631	5.0
123.03218	5.0
133.06609	2.3
136.07689	12.5
138.05591	31.0
143.78712	2.0
145.02982	11.4
148.04037	2.2
161.04512	4.4
161.05959	5.0
163.04005	16.4
165.05511	8.5
177.05452	3.4
182.04451	2.3
183.10258	15.0
201.11208	7.4
205.05049	9.5
214.12311	2.9
227.08296	11.4
235.06042	12.0
236.06421	1.9
241.09540	2.1
242.10539	11.2
257.12924	65.9
258.13162	6.0
265.07098	22.2
266.19543	1.9
287.10062	2.3
325.09082	5.5
345.10794	9.0
345.14841	2.9
363.12289	3.5
363.16513	100.0
364.16919	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	362.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.7
59.83735	0.8
61.98825	100.0
69.39003	4.8
69.39407	2.0
71.01376	1.1
73.42283	0.7
96.96005	3.5
109.68785	0.8
132.31551	0.7
165.09233	1.1
169.09482	0.8
256.03745	1.4
277.94937	0.8
284.03149	2.9
299.05618	2.1
327.21808	1.0
361.28818	1.0
363.14694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.0
61.98824	100.0
62.56433	0.7
70.89304	1.0
70.89620	1.4
71.01366	3.4
85.02940	1.7
89.02445	1.9
93.03452	14.6
94.03822	0.9
99.00853	0.7
101.02412	1.8
113.02390	1.1
115.79699	0.8
119.03441	1.0
136.77220	0.7
137.02432	41.5
138.02773	2.9
139.07663	1.4
148.48351	0.7
183.06584	1.3
201.07640	1.2
233.66437	0.7
299.07675	7.2
363.11584	1.4
363.16428	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.0
65.99853	1.3
69.78286	6.5
71.01376	5.3
73.02930	2.6
82.02974	37.3
83.01381	4.5
83.58771	1.2
85.02961	1.8
89.02447	6.0
89.22388	1.1
89.89603	1.2
90.62026	1.1
94.03004	2.4
96.95990	1.3
98.20667	1.2
101.02411	4.5
113.02451	2.0
119.03513	2.9
120.99667	2.3
121.01687	1.4
122.02472	1.6
122.06093	5.0
124.86445	1.4
124.96171	1.2
125.95430	1.1
135.04446	1.2
136.04034	28.1
152.03555	2.3
160.07617	2.4
161.02335	1.4
161.04572	2.2
164.03526	43.1
164.04909	2.4
165.03842	2.0
165.61429	1.3
176.07104	1.9
177.10387	2.0
178.08809	1.6
180.02980	2.0
194.04581	22.6
195.05280	4.9
196.06137	26.1
197.06435	1.9
202.08640	2.5
204.06534	2.0
217.06107	2.1
228.06589	1.9
229.06136	1.6
231.07610	2.8
244.09944	5.8
245.09389	2.4
258.06323	1.7
259.07111	2.0
259.10809	3.6
270.07724	5.4
271.07254	4.7
287.10330	100.0
288.10748	10.6
291.09653	2.4
313.08124	2.7
319.12839	3.4
331.09311	49.6
332.09579	5.4
363.08124	1.9
363.11804	6.1
363.16608	6.9
363.23822	7.0
364.24261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01705	1.4
60.18928	0.9
61.98818	1.8
70.52143	2.2
70.52506	2.0
94.26355	1.2
101.02319	1.1
116.25900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	24.3
60.01701	2.2
61.01791	0.9
61.98824	100.0
70.50391	1.3
78.25584	0.4
78.91872	0.5
79.97431	0.4
109.57341	0.4
174.99191	2.6
175.99583	1.2
176.99675	0.7
177.96695	0.5
178.98508	2.1
182.02814	0.4
201.02539	3.0
201.07574	0.4
202.02693	0.7
203.02249	2.1
204.00035	4.7
204.02592	2.5
205.00197	0.8
217.00285	7.3
218.00629	8.9
219.00781	2.1
219.97731	58.9
220.99631	9.1
277.99661	0.6
320.00696	0.8
361.98428	1.4
362.01810	1.9
363.00858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40021	1.0
57.03430	2.3
58.00576	1.1
59.01372	100.0
69.65879	7.0
71.01375	10.8
71.05009	1.6
72.99274	1.2
73.02932	4.5
74.56783	1.1
78.57327	1.3
79.47024	1.3
83.01391	2.4
83.04981	2.5
85.02943	5.0
89.02435	4.3
101.02435	6.8
113.02431	3.7
124.88721	1.0
139.11232	1.3
149.54633	1.1
153.12854	2.8
165.12793	1.4
168.96545	1.0
199.13365	17.8
209.11795	92.2
210.12233	6.8
227.12813	5.7
269.89893	1.1
301.20059	2.5
319.21185	14.7
343.17642	1.3
361.18573	98.4
361.22305	9.0
362.18848	11.7
365.55130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42189	1.3
57.03417	1.6
59.01374	78.5
65.98466	1.4
69.66079	6.0
69.66496	3.3
71.01377	7.2
73.02921	2.2
80.34428	1.3
83.05016	3.4
84.02125	1.5
85.02942	3.7
89.02451	2.2
93.03449	4.8
101.02434	4.9
108.02064	1.6
109.02971	7.4
113.02487	2.8
119.03324	1.6
121.02946	28.0
122.03751	17.9
123.04505	4.2
124.01611	1.7
126.00816	1.8
129.03391	1.7
135.04533	2.7
136.05263	1.9
137.02437	3.3
146.03690	1.9
147.04510	12.0
148.05295	1.6
149.06004	2.7
154.02692	2.4
161.06079	4.7
163.11227	2.3
165.05547	33.1
165.12874	2.1
166.05888	3.1
179.07127	10.9
181.12337	2.4
183.30878	1.2
193.08691	1.7
199.13391	2.9
209.11806	100.0
210.12143	6.3
212.03537	1.3
223.09723	1.7
227.12834	5.1
301.20175	4.2
315.12207	4.5
319.21027	11.5
346.14059	12.9
361.16162	96.0
362.16629	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	361.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.3
61.98789	0.3
64.95515	0.4
70.76646	0.9
70.77021	0.5
72.47786	0.4
73.19882	0.3
75.21032	0.4
77.96915	0.4
78.45576	0.3
178.53279	0.3
249.63718	0.4
279.23254	100.0
280.23599	9.9
325.27432	0.4
361.15738	2.6
361.23572	22.5
362.24002	2.8
384.63815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
56.19239	1.1
57.03429	3.6
58.00578	2.2
59.01375	45.9
60.01706	1.5
61.98798	1.2
65.68797	1.0
69.03445	1.9
69.51360	9.0
69.51685	2.1
69.66923	1.3
71.01376	58.2
72.99304	11.8
73.02925	3.9
81.03471	3.1
83.01369	2.1
85.02943	13.3
87.00869	8.1
89.02444	11.9
89.82644	1.1
95.01398	1.8
99.00879	5.2
101.02450	11.7
109.06583	1.7
113.02456	11.1
117.02039	1.4
117.03435	2.2
119.03518	2.7
119.05016	2.3
119.08673	2.7
123.08124	7.1
125.02469	1.4
133.06638	2.1
135.08136	1.6
136.99138	1.6
138.05614	3.3
139.07674	2.1
141.09195	12.2
143.03459	1.6
145.02937	17.3
161.06152	1.6
163.03981	3.6
163.07607	3.3
167.07133	4.4
169.08696	3.4
181.08685	8.6
185.08264	1.5
187.04001	2.1
197.99126	1.3
198.99942	3.2
235.06076	1.7
237.11287	1.2
265.07147	3.8
285.13480	6.1
301.11130	1.4
317.10992	1.5
325.09174	7.4
329.12387	100.0
330.12802	11.4
361.05252	2.4
361.15012	68.0
362.15338	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	361.1499
Annotation	1-O-beta-D-Glucopyranosyl-4-epiamplexine
Peak:m/z	Relative Intensity
57.03426	2.7
58.00588	2.0
59.01376	70.8
62.52401	0.9
63.87710	1.0
69.27962	10.5
71.01376	35.9
72.99302	4.8
73.02937	2.8
73.90357	0.9
78.27307	1.0
83.01394	2.3
85.02938	7.6
85.61296	0.9
87.00867	5.2
89.02438	30.5
95.01385	2.5
96.95995	1.7
98.19835	2.5
101.02437	20.0
107.08635	4.9
108.08251	1.1
111.00848	5.0
113.02441	14.1
119.03497	14.3
119.04954	2.1
119.08685	5.8
120.99680	5.4
121.06576	3.4
123.08125	1.2
125.02482	1.1
134.04550	0.9
134.06119	1.4
135.98347	1.3
136.99104	1.3
137.09692	1.5
138.01953	5.2
139.02245	4.0
139.07611	3.2
143.03453	2.7
145.02983	5.5
148.04088	1.5
149.04549	1.4
157.22519	1.0
160.04066	1.5
161.04761	9.0
163.03981	1.8
163.07657	1.2
179.05603	3.1
181.08664	11.5
187.03937	3.2
192.02982	1.4
198.99890	2.2
199.09718	8.3
200.07185	1.7
212.10780	2.3
230.11774	4.8
239.09048	1.5
240.09036	1.9
255.11296	5.2
265.06989	1.2
273.12399	3.1
281.09131	1.8
299.10272	1.6
317.11392	5.9
325.09332	2.0
329.12296	5.7
343.09500	1.6
361.10117	4.3
361.14978	100.0
362.15341	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	361.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51327	1.4
59.01091	2.2
59.01375	39.0
61.98816	1.7
67.89165	1.4
71.01368	13.2
73.02933	5.4
75.38562	1.5
83.01364	1.7
85.02950	4.2
89.02499	1.7
95.01378	3.2
96.96027	1.4
100.10406	1.4
100.46235	1.6
101.02437	10.5
113.02451	6.0
121.02929	3.5
123.00873	100.0
124.01709	13.4
137.02403	3.5
138.03212	81.9
139.04013	27.5
143.03432	1.8
149.02434	2.8
150.03186	1.4
151.03998	4.0
159.02968	2.1
161.04533	28.7
163.04005	1.5
166.02667	3.9
178.02771	2.8
181.05025	9.8
193.04982	2.7
301.09225	46.2
302.09543	4.0
337.39182	1.4
339.88611	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84432	1.2
56.14386	1.1
57.14869	1.0
59.01371	8.4
71.01386	5.6
71.15201	1.2
71.62836	1.6
72.99300	17.5
73.02916	1.6
75.00861	3.1
76.84012	1.3
85.02950	4.8
87.00854	2.5
89.02438	3.2
93.17821	1.1
101.02455	3.6
103.86147	1.0
108.10895	1.2
109.03014	1.2
111.00851	6.3
113.02445	2.3
117.01941	2.0
119.03509	1.7
120.99668	4.3
121.02944	2.9
122.06123	1.5
132.04539	4.3
133.05385	1.7
135.03003	8.9
145.05269	1.2
145.76913	1.3
149.02405	1.2
161.04536	1.6
164.03532	4.8
166.41258	1.2
171.06854	6.7
186.09224	87.4
187.05116	2.3
187.09557	4.5
191.01904	2.2
199.05066	1.8
199.09686	2.3
200.39638	1.1
202.08685	2.0
209.05991	2.1
211.04030	2.5
212.04779	4.4
212.10764	8.7
214.07491	1.3
224.04642	1.3
227.07118	4.2
229.09781	74.6
230.10037	6.1
237.05539	5.4
239.03465	3.4
240.04247	61.2
241.04602	6.8
253.04959	1.5
254.05878	3.7
255.06599	16.5
255.11316	9.9
256.07056	1.8
265.04984	8.6
269.08173	3.3
270.06433	1.5
270.09006	7.6
273.08771	82.1
274.09027	9.8
282.83783	1.2
283.06097	27.7
284.06516	2.2
285.08359	2.2
298.08398	48.6
299.10541	22.2
300.10471	1.7
301.08163	11.3
313.10773	100.0
314.11118	11.3
317.11371	5.2
343.08923	2.0
361.09720	28.8
361.14090	4.6
361.22394	2.9
362.10507	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.7
59.01384	11.3
60.68704	1.6
71.01383	7.9
71.62663	2.5
72.98919	2.7
72.99304	39.4
73.02955	2.7
75.00859	5.8
80.05025	1.4
85.02928	6.5
87.00860	6.0
89.02435	6.1
92.19807	1.6
99.00821	1.8
101.02418	4.2
104.06281	1.6
107.16879	1.4
109.02914	2.8
111.00873	9.6
113.02422	2.8
117.01889	4.2
119.03452	1.5
120.99620	6.0
121.02942	3.9
123.00876	2.0
129.01985	1.6
131.45071	1.5
132.04543	4.7
133.05235	1.5
135.02979	25.2
151.04022	1.6
161.02385	1.8
161.04559	1.8
164.03525	3.0
171.06847	5.7
186.09222	96.5
187.05154	2.6
187.08693	4.4
187.09505	5.7
191.01945	5.7
209.06068	1.7
211.04051	3.7
211.07562	2.3
212.04765	5.1
212.10791	9.6
213.06754	1.9
227.07083	3.6
229.09785	80.5
230.10062	4.4
237.05551	6.0
238.06149	1.8
239.03416	3.9
240.04256	63.9
241.04729	7.5
247.18044	1.8
253.05032	1.9
254.05927	2.9
254.97751	1.6
255.06624	17.0
255.11168	9.1
257.09311	2.9
265.05133	9.4
269.08148	4.5
270.06253	2.2
270.08911	6.8
273.08771	90.1
274.09061	6.7
283.06125	28.0
284.06445	4.1
285.08383	2.7
289.16245	1.8
298.08435	45.4
299.10513	22.5
300.10623	3.0
301.08041	9.4
313.10779	100.0
314.11182	12.0
317.11377	8.3
328.09549	1.8
361.09756	24.4
361.14459	11.1
361.22293	6.5
362.10318	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	361.0925
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
59.01365	1.8
70.76437	2.2
71.01398	1.1
72.98922	1.3
72.99305	17.7
75.00909	0.9
87.00885	0.7
93.03465	1.7
96.95972	1.8
105.01943	1.4
111.00863	1.1
114.41856	0.8
119.05013	1.0
130.77939	0.9
135.02985	0.9
141.84821	0.8
179.03445	0.9
181.06554	1.7
193.06580	6.4
195.08109	1.0
199.07590	0.9
207.08109	8.9
209.06052	1.7
211.07594	1.4
219.08124	13.7
220.08522	1.6
223.07547	1.2
224.08347	1.4
225.09184	10.5
226.09419	1.0
227.07101	1.3
235.07651	7.2
237.05450	1.8
237.09190	27.2
237.11591	1.6
238.09547	2.6
240.07944	1.1
241.08714	3.0
244.07440	1.0
251.07092	2.3
253.08685	27.1
254.09044	3.4
255.06850	1.6
255.10220	2.3
256.07471	1.2
263.07098	5.6
269.08221	5.4
279.06497	1.1
281.08191	15.8
282.08740	2.0
297.07666	8.1
299.09216	7.4
300.09650	1.1
307.06046	2.6
308.06378	1.0
315.08710	54.9
316.09058	6.8
325.07111	6.4
343.08188	40.5
344.08646	4.7
361.09268	100.0
362.09598	12.9
382.84381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.0
57.03444	4.2
59.01091	2.2
59.01376	37.4
70.93225	4.2
71.01383	35.8
72.99296	8.6
73.02947	3.1
74.99055	1.9
75.00877	2.8
81.03442	1.8
83.01396	2.8
85.02940	14.5
87.00849	7.6
88.98791	3.9
89.02421	9.2
92.33612	1.4
93.03413	2.5
96.95993	3.7
99.00832	2.6
100.87205	1.7
101.02431	11.8
106.06612	4.2
111.00896	5.1
113.02453	8.9
117.03446	7.3
117.83680	1.4
119.03558	2.2
119.05016	54.5
120.05338	2.5
120.99649	5.8
121.02959	3.4
123.03201	1.7
123.08146	3.7
125.02438	2.3
132.05774	2.3
133.06551	13.0
134.06091	17.7
135.02975	2.7
137.09706	3.1
138.05600	3.6
141.09209	5.2
145.02937	67.6
146.03281	3.7
161.04697	2.0
161.06052	32.0
162.03255	1.6
163.03996	66.0
163.05376	3.3
164.04353	4.3
167.07150	2.4
176.03679	1.7
177.05518	8.0
178.05054	18.4
181.08684	2.7
187.03949	4.5
199.09644	2.4
205.05037	45.5
206.05469	1.9
235.06090	60.6
235.78279	1.6
236.06342	3.7
237.09296	1.7
240.25014	1.8
265.07138	100.0
266.07495	8.4
285.13394	2.7
299.09625	2.4
317.11316	2.4
325.09290	31.8
326.09680	3.0
329.12366	47.7
330.12747	4.9
343.08511	2.4
361.09741	13.8
361.14822	16.8
362.09506	2.4
362.15289	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	361.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
59.01373	31.5
69.03436	2.0
70.93085	3.9
71.01377	37.2
72.99306	6.4
73.02928	4.7
75.00880	1.8
81.03428	2.3
83.01372	3.3
84.23532	1.9
85.02949	14.0
87.00877	6.8
87.23037	1.5
88.98795	3.5
89.02448	11.3
93.03472	2.1
95.01375	2.2
96.95997	3.2
99.00850	3.1
101.02422	11.2
106.06630	2.9
107.64381	1.6
111.00876	2.6
113.02453	8.2
115.27585	1.7
117.03439	9.1
119.03593	2.5
119.05019	52.0
120.05312	2.1
120.99632	5.3
121.02974	2.9
123.08174	3.4
132.05814	2.2
133.06564	10.2
134.06116	16.8
135.02946	2.2
137.09694	2.1
138.05579	3.7
139.07594	2.1
141.09198	6.3
145.02939	60.9
145.04086	3.1
146.03310	5.0
159.04526	2.1
161.04692	3.3
161.06049	28.4
163.03992	65.8
164.04364	5.4
165.09256	1.7
167.07111	2.5
177.05576	9.1
178.05090	21.4
179.05379	2.3
181.08618	2.5
205.05043	44.4
206.05368	2.2
206.37186	1.8
230.50684	1.8
235.06084	58.9
236.06427	4.6
265.07147	100.0
266.07440	8.9
285.13379	3.2
297.88809	1.8
299.09698	2.1
307.07980	2.5
325.09299	31.9
326.09732	2.7
329.12363	43.5
330.12741	5.0
361.05685	2.6
361.10034	13.7
361.14456	15.2
361.18188	1.8
362.15103	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	361.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45554	0.9
52.68944	0.9
68.28458	1.0
68.28813	1.0
69.32622	8.1
71.01376	1.7
72.34846	1.0
72.98917	1.6
72.99301	18.7
76.45212	0.8
92.17725	0.8
93.03452	1.3
96.95998	5.8
98.19728	0.9
109.70404	1.0
109.80408	1.0
111.00868	1.0
119.05056	0.9
121.02979	1.2
135.02988	1.9
181.06596	2.0
186.04611	1.0
193.06561	5.4
199.98692	1.0
207.08092	9.5
209.06035	1.3
211.07588	2.6
219.08115	16.0
220.08336	1.4
223.07578	3.9
224.08446	1.5
225.09151	10.3
227.07057	1.4
235.07663	9.3
237.05498	2.0
237.09180	30.7
238.09514	3.5
241.08647	2.1
251.07120	2.0
253.08681	28.0
254.09007	2.4
255.06618	2.1
255.10252	1.4
256.07346	1.1
263.07159	8.5
264.07614	1.2
269.05655	1.0
269.08075	5.5
271.09518	1.4
281.08163	20.7
282.08505	2.4
297.07709	9.5
298.08044	1.7
299.09256	8.4
307.06049	1.8
315.08707	61.9
316.09082	6.0
317.09937	1.1
325.07101	5.9
343.03967	1.7
343.08167	45.7
344.08527	5.5
361.09274	100.0
362.09595	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	361.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.0
57.03444	4.2
59.01091	2.2
59.01376	37.4
70.93225	4.2
71.01383	35.8
72.99296	8.6
73.02947	3.1
74.99055	1.9
75.00877	2.8
81.03442	1.8
83.01396	2.8
85.02940	14.5
87.00849	7.6
88.98791	3.9
89.02421	9.2
92.33612	1.4
93.03413	2.5
96.95993	3.7
99.00832	2.6
100.87205	1.7
101.02431	11.8
106.06612	4.2
111.00896	5.1
113.02453	8.9
117.03446	7.3
117.83680	1.4
119.03558	2.2
119.05016	54.5
120.05338	2.5
120.99649	5.8
121.02959	3.4
123.03201	1.7
123.08146	3.7
125.02438	2.3
132.05774	2.3
133.06551	13.0
134.06091	17.7
135.02975	2.7
137.09706	3.1
138.05600	3.6
141.09209	5.2
145.02937	67.6
146.03281	3.7
161.04697	2.0
161.06052	32.0
162.03255	1.6
163.03996	66.0
163.05376	3.3
164.04353	4.3
167.07150	2.4
176.03679	1.7
177.05518	8.0
178.05054	18.4
181.08684	2.7
187.03949	4.5
199.09644	2.4
205.05037	45.5
206.05469	1.9
235.06090	60.6
235.78279	1.6
236.06342	3.7
237.09296	1.7
240.25014	1.8
265.07138	100.0
266.07495	8.4
285.13394	2.7
299.09625	2.4
317.11316	2.4
325.09290	31.8
326.09680	3.0
329.12366	47.7
330.12747	4.9
343.08511	2.4
361.09741	13.8
361.14822	16.8
362.09506	2.4
362.15289	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	360.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62523	0.3
59.01375	6.9
59.67313	0.3
70.13946	1.5
71.01369	1.2
83.25794	0.3
85.02932	0.5
89.02446	0.7
99.00816	0.4
101.02444	0.8
101.44156	0.4
108.02168	7.6
109.02515	0.6
113.02477	0.3
119.03479	0.7
121.02982	0.3
130.46521	0.3
138.01962	100.0
139.02321	3.8
148.04022	0.3
151.02773	0.5
157.99802	0.3
160.04068	0.4
173.89293	0.3
180.02982	0.4
181.08739	0.5
187.04099	0.4
196.07018	0.3
198.07462	0.4
199.09645	0.4
207.38490	0.3
361.14972	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	359.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58117	0.7
59.01093	1.2
59.01375	22.5
65.55070	0.7
70.62981	1.3
70.63355	1.3
77.64661	0.8
78.72012	0.6
117.29279	0.6
119.32420	0.6
157.35106	0.8
195.32707	0.7
226.14754	0.7
277.21686	100.0
278.22037	11.6
359.21982	21.8
360.22260	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55853	0.2
53.67685	0.2
57.03449	1.4
59.01366	1.8
61.98830	0.3
63.17609	0.2
69.03453	0.4
73.02950	0.2
78.19041	0.2
80.67918	0.2
80.70493	0.2
83.70592	0.2
89.47689	0.2
95.92567	0.2
101.02443	0.3
101.45483	0.2
110.36702	0.2
110.72873	0.2
111.08064	0.3
119.05042	0.2
119.13783	0.2
124.01566	0.2
127.11270	0.5
137.09735	0.3
141.12839	0.2
157.12422	0.2
185.11852	0.4
217.00252	0.7
271.22696	0.3
295.22849	0.5
309.24432	0.3
311.22269	0.8
311.25922	1.0
313.23792	6.8
314.24100	0.8
323.25790	0.3
325.24014	0.3
341.26944	1.8
357.26416	1.2
358.26929	0.3
359.27972	100.0
360.28317	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	359.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	82.2
60.01688	0.9
103.23682	0.7
132.98201	1.6
157.03571	2.5
173.86002	0.7
174.99226	21.3
201.02528	25.9
202.02695	2.9
213.97234	0.8
217.00270	100.0
218.00528	4.5
255.42451	0.8
256.87488	2.1
274.88736	2.4
298.88593	1.6
316.89731	3.8
333.19904	0.7
356.42630	0.7
359.01389	7.1
360.01706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0981
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01384	1.9
59.58321	0.4
62.24481	0.4
70.89482	0.8
71.01373	1.4
83.01316	0.4
85.02933	0.7
89.02435	0.4
95.01385	2.3
98.20022	0.5
101.02444	0.5
113.02360	0.5
114.02503	0.4
123.00878	35.9
124.01204	1.5
136.05327	0.5
137.02422	1.3
138.03217	47.1
139.03571	1.8
153.01987	0.6
153.05562	16.3
154.05902	1.1
166.99850	10.2
168.00139	0.4
182.02197	35.2
183.02531	1.7
197.04532	100.0
198.04878	4.8
198.49945	0.4
200.10941	0.4
239.05641	0.7
297.60678	0.4
359.09766	2.9
360.10077	0.6
379.21564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1345
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01857	2.2
56.07372	1.1
57.03439	1.9
58.00578	3.6
59.01375	100.0
60.01701	1.6
61.98825	2.7
69.61562	7.1
71.01376	85.0
72.97533	2.7
72.99304	4.7
73.02941	9.4
81.03448	1.8
82.21536	1.2
83.01372	7.3
85.02941	21.4
87.00877	7.5
89.02441	50.6
93.03459	2.3
95.01386	5.3
99.00873	3.7
101.02438	42.9
102.02756	1.7
107.04999	1.8
109.02967	7.5
109.06584	4.4
113.02449	32.8
114.02743	1.3
119.03495	19.5
119.04958	1.5
120.99633	2.1
121.02979	1.2
121.06581	3.3
122.03717	5.5
123.00861	1.7
123.04543	1.8
124.01662	1.5
125.02421	4.4
131.03439	1.3
132.58893	1.1
135.04517	1.5
136.05211	1.7
137.02365	1.8
137.05927	1.4
139.07625	4.8
143.03459	4.0
145.06566	3.8
147.04489	3.5
149.04523	1.3
149.06050	2.4
152.01118	1.6
153.01936	12.3
159.02928	1.4
161.04530	4.9
161.05788	1.2
163.03983	1.6
163.07591	3.1
164.04785	1.2
165.05536	7.3
167.03453	3.4
179.03468	1.7
179.05571	3.2
179.07120	7.9
182.05812	14.0
191.05618	1.5
193.08690	3.5
197.04535	8.4
197.08182	39.4
223.26369	1.2
237.07613	1.5
249.41228	1.2
299.11356	3.7
327.10791	90.1
328.11163	9.4
359.09641	30.2
359.13480	35.8
360.10132	4.2
360.13724	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	359.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.2
69.48404	3.2
69.48824	2.0
70.09090	0.8
71.01379	2.6
74.61597	0.6
79.95715	0.6
89.02446	1.3
93.03444	1.2
98.19839	1.4
98.81609	0.8
101.02428	1.2
101.66640	0.7
108.02176	0.8
109.02958	0.8
110.41809	0.7
113.02411	1.3
121.02946	8.4
122.03713	2.1
123.00903	1.5
124.01638	1.6
135.04536	1.2
136.01608	0.9
136.05281	1.2
137.02383	1.8
143.04987	1.5
145.02957	0.8
147.04509	5.0
149.02396	1.8
150.03192	7.3
151.03838	0.7
158.03693	4.8
159.04480	16.0
159.25305	0.7
160.05278	42.9
161.06050	16.1
163.04002	8.2
164.04787	7.9
165.14699	0.8
173.06026	4.9
175.04031	1.6
175.07613	34.9
176.04800	0.7
176.07907	1.7
177.05544	9.8
178.06299	9.8
179.06721	1.3
189.05647	0.9
190.06371	1.3
192.07819	1.6
193.08662	3.3
314.11557	0.7
317.19571	2.4
329.13885	100.0
330.14236	13.4
359.15045	3.1
359.20712	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	357.2642
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03440	0.3
59.01357	1.0
60.95729	0.2
61.98814	0.3
62.87988	0.2
70.85274	0.5
73.34885	0.2
74.12151	0.2
97.06588	0.3
121.02915	1.2
139.11256	0.5
141.12837	0.8
157.12350	0.3
170.56686	0.3
171.10257	0.7
181.06734	0.3
185.11806	4.9
186.12129	0.4
297.24277	1.8
303.23331	0.4
309.24255	2.3
310.24713	0.4
311.26016	0.5
321.24353	0.4
325.23822	1.6
327.25369	18.7
328.25650	1.9
339.25311	4.2
340.25656	0.5
344.78754	0.3
353.08823	0.2
355.24863	1.6
357.26410	100.0
358.26761	13.0
377.61093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	100.0
66.19255	26.0
70.00503	31.9
81.74372	28.7
89.84219	29.0
101.02436	35.8
127.24834	28.1
255.10298	31.0
311.06671	33.4
359.22382	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13129	0.5
57.03428	0.7
59.01375	6.2
69.57625	3.3
71.01378	2.3
72.34645	0.5
85.02942	2.1
85.06550	0.6
87.00896	0.6
89.02470	0.6
95.01379	0.8
96.53594	0.7
97.30177	0.5
101.02472	0.8
108.08184	100.0
109.02991	1.1
109.08530	4.8
113.02450	1.3
115.07648	1.1
120.08150	1.9
121.02856	0.6
121.35530	0.5
123.04515	0.9
125.02499	0.8
132.08192	1.9
134.06093	0.9
148.07672	1.9
151.00342	0.7
151.07642	2.1
152.07147	71.0
153.07503	4.1
163.03946	0.7
164.07129	1.5
166.08717	16.6
167.09103	1.0
176.07158	1.3
190.06494	0.7
191.07100	1.2
194.08202	9.0
195.06595	4.5
196.06070	63.5
197.06430	4.0
208.07481	0.6
211.13441	1.0
238.07178	9.8
239.07466	0.7
241.14548	1.4
251.12842	0.6
280.08139	1.0
298.09283	7.2
299.09348	0.8
299.18542	1.9
317.19592	6.8
344.12540	1.0
358.11316	9.1
359.08191	1.0
359.15662	3.1
359.20593	4.9
382.59448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	24.5
59.01370	55.0
61.98818	21.4
67.29244	8.0
69.03471	14.5
71.01350	13.3
71.05029	13.5
71.62994	12.0
81.03448	59.2
83.01378	32.6
83.05016	53.4
84.02110	8.6
85.02949	26.3
95.05029	20.7
97.02961	17.3
97.06580	14.6
99.04510	96.9
108.46483	8.7
109.02943	15.1
111.04475	18.1
121.02962	61.7
151.07652	13.7
152.08408	14.2
154.91042	9.3
166.58774	10.7
171.10246	100.0
191.14381	15.4
192.95821	28.6
193.12349	34.4
199.03889	9.7
235.13399	69.0
253.14388	28.9
285.20795	42.8
285.23523	9.1
357.06100	16.1
357.13409	26.3
357.22577	14.3
357.26508	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.228
Annotation	oscr#21
Peak:m/z	Relative Intensity
58.45725	2.0
59.01367	9.3
61.98822	5.1
68.68095	2.1
69.54539	13.6
72.99301	94.4
78.87122	1.9
83.01380	6.2
98.19861	3.6
121.02959	9.4
127.75770	2.3
137.05910	2.6
143.49342	2.0
192.95810	7.7
215.79771	2.1
234.01440	2.4
242.46085	2.1
246.96886	2.9
251.23686	3.7
271.64734	2.1
277.21689	6.3
283.22794	5.6
295.19336	4.1
295.22733	98.6
296.23056	11.5
339.21701	100.0
340.22067	14.6
357.06030	2.8
357.13458	6.7
357.22797	44.6
357.26819	4.0
358.23239	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39423	0.6
59.01375	100.0
60.01721	1.3
63.70893	0.5
65.96947	0.5
66.57010	0.5
66.91605	0.5
69.58257	1.6
69.58683	2.2
71.01400	3.4
73.02942	1.6
74.66967	0.5
85.02961	1.8
85.93001	0.5
87.01038	0.5
92.72014	0.5
96.95982	1.3
98.20642	1.0
101.02426	2.9
113.02433	1.5
121.02973	0.7
136.01651	0.6
151.04021	0.7
159.02931	0.6
161.04575	2.4
283.55756	0.5
297.13367	5.8
298.13773	0.7
315.18201	1.3
357.13815	0.9
369.80374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28338	11.0
59.01378	100.0
59.67411	8.3
69.78966	51.9
70.38739	9.0
71.01372	14.1
83.01366	43.3
83.05027	8.5
94.89746	9.7
96.96027	10.5
98.19963	18.8
100.04081	8.7
108.02163	12.5
112.49463	9.9
120.99646	16.3
122.03693	13.9
149.02420	20.1
156.15915	8.2
180.04247	11.2
208.02824	32.1
251.05705	10.4
259.02808	10.4
315.18066	18.7
357.06424	12.2
357.13629	79.0
357.19006	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	357.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61192	1.2
59.01373	100.0
61.98811	1.5
66.65818	1.1
69.40159	8.3
71.01354	1.8
72.99270	1.2
83.01357	2.2
83.05022	1.8
87.00896	1.2
93.03426	1.4
98.20566	2.7
99.04524	1.2
109.02940	1.5
121.02950	8.0
123.04488	1.2
141.43497	1.3
171.10265	3.8
223.13358	2.8
253.14485	1.2
277.14236	1.5
327.25259	1.4
357.06158	4.8
357.13248	3.7
357.26437	16.8
358.26727	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01877	2.0
56.30912	1.1
57.03446	4.0
58.00590	3.9
59.01374	100.0
61.98824	5.3
65.78249	1.0
69.03465	2.9
69.41570	6.5
69.41973	3.0
71.01376	70.3
72.01730	1.2
72.99310	6.3
73.02939	12.0
74.99059	1.5
75.00890	1.4
76.06010	1.0
83.01371	6.1
85.02937	20.9
87.00891	2.5
89.02433	41.6
93.03445	20.3
93.70655	1.2
94.03801	1.1
95.01369	6.1
97.02899	1.3
98.35819	1.1
99.00848	4.1
101.02433	41.5
108.02151	1.6
111.08120	1.1
111.52200	1.1
113.02431	24.9
119.03503	14.8
121.02929	1.6
123.81224	1.2
125.02452	2.1
131.03505	1.6
134.03735	1.3
136.01633	1.6
136.51666	1.1
137.02425	54.3
138.02754	1.7
139.11282	4.3
143.03484	2.4
147.08167	1.4
159.02966	2.4
159.10295	1.3
161.04539	15.8
163.11256	27.8
164.11641	1.4
172.52417	1.2
173.04564	2.1
177.09167	10.2
179.05664	3.0
180.04240	4.9
183.10237	19.9
195.06575	4.4
195.10287	3.0
221.04497	1.4
223.18396	1.2
253.65390	1.0
297.08630	1.5
306.65598	1.3
321.15445	3.6
357.11771	67.2
357.15567	67.0
358.12195	7.1
358.15979	7.1
362.77161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	26.0
61.98818	1.1
71.01378	6.9
71.10148	1.4
72.97499	0.5
73.02923	0.7
84.04616	0.5
85.02935	1.4
88.55605	0.7
89.02429	4.9
95.01366	0.7
101.02433	3.7
108.02159	1.9
113.02455	1.8
119.03476	2.5
119.05013	2.4
121.02929	2.1
123.04499	3.0
124.01643	1.5
125.02430	0.8
135.04517	8.8
136.05286	11.7
150.03188	1.2
151.04045	2.6
151.07603	3.0
161.02400	0.6
162.03206	20.3
162.54378	0.6
163.03816	1.3
177.05548	30.4
178.05927	1.5
180.04254	1.4
195.06602	100.0
196.06950	6.8
357.11801	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.03434	0.5
59.01369	0.9
60.63218	0.2
65.00286	0.4
68.14043	0.2
69.54916	1.4
81.03448	3.5
82.03788	0.2
83.01359	1.2
85.06562	1.1
85.41389	0.2
85.52132	0.2
85.71973	0.2
87.04491	1.2
93.80701	0.2
95.05029	0.3
107.01359	0.5
107.05000	0.3
109.06580	2.6
111.04502	3.8
112.04783	0.2
123.04494	0.4
125.02426	4.6
127.07639	0.5
133.06584	1.2
136.05281	0.8
149.02400	0.4
151.00336	0.8
151.07629	23.8
152.07997	1.4
153.05537	0.3
165.09160	0.4
167.03444	0.4
177.05579	1.3
191.07108	0.8
195.06596	100.0
196.06944	6.4
219.06578	0.5
237.07652	3.0
238.07869	0.2
241.46512	0.2
267.08731	0.4
357.11929	1.2
357.19052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11816	0.9
56.98010	1.7
59.01355	1.3
63.96236	11.4
70.57507	3.1
71.01381	0.9
72.99306	7.1
73.98316	4.0
74.99091	100.0
75.99435	1.2
76.91878	0.9
78.57940	1.0
85.02939	2.9
86.65445	0.9
87.00874	3.5
109.02961	1.9
117.97281	4.6
121.02905	0.9
133.02939	11.1
135.97360	2.0
135.98351	20.5
136.99130	75.8
151.00357	1.2
153.79881	0.9
161.02451	1.9
163.00333	1.9
163.03883	0.9
175.04121	1.0
177.12769	1.5
180.21133	0.9
189.12892	3.3
195.10268	1.4
201.01988	1.2
201.12839	1.3
203.14464	4.4
204.11493	1.8
219.13870	12.5
220.14185	2.0
221.10034	2.9
225.05614	1.3
241.05046	1.6
251.11241	1.2
284.03287	4.3
285.03964	7.0
297.03983	18.8
298.04721	11.0
299.05453	3.2
311.05765	5.2
327.05109	2.0
339.05096	5.1
357.06198	47.4
357.13654	45.8
358.06509	6.5
358.13986	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	357.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58812	0.8
54.68427	0.8
58.00585	1.0
58.51876	0.8
59.01375	45.4
61.98829	0.7
68.21992	0.8
69.05257	0.8
69.67140	5.5
71.01377	14.2
72.99298	1.2
85.02947	3.4
87.00847	1.3
88.73602	0.8
89.02433	13.4
91.07541	0.9
95.01406	1.5
96.15109	0.9
101.02436	8.8
108.02168	2.0
112.78326	0.9
113.02428	5.4
117.95071	0.8
119.03497	6.5
119.05006	1.3
120.99638	1.1
121.02940	1.8
123.04501	3.8
124.01614	1.0
134.03766	1.0
135.04532	7.4
136.05315	10.7
150.03236	1.1
151.03989	3.3
151.07649	2.6
153.26938	0.9
153.30733	0.9
161.02498	1.4
162.03210	50.8
163.03687	4.0
177.05563	74.2
178.05885	4.6
178.34669	0.9
180.04254	5.1
188.58118	0.8
195.06615	100.0
196.07007	5.7
256.73193	0.9
357.11560	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	357.101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99584	15.9
59.01384	5.3
66.44936	2.3
68.01417	3.0
74.99081	3.4
100.06341	2.2
102.98586	100.0
120.99630	5.3
195.06606	5.0
197.30377	2.6
300.54425	2.6
315.17999	2.8
339.12219	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	357.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	16.2
71.01376	0.9
71.28430	0.7
73.02940	0.4
76.27957	0.4
84.03161	0.3
85.02952	0.3
108.02151	1.6
113.02460	0.3
119.04993	1.8
121.02955	1.3
123.04520	2.0
124.01644	0.9
125.02431	0.4
134.03792	0.4
135.04510	7.6
136.05289	12.3
137.05675	0.7
150.03215	0.5
151.03986	1.8
151.07640	3.7
177.05605	0.6
194.75777	0.3
195.06602	100.0
196.06929	6.0
357.11798	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	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99561	0.8
59.01092	1.2
59.01372	19.4
60.64556	1.0
61.98836	4.4
71.01375	11.2
71.62061	1.3
72.99303	2.0
73.02919	1.3
75.00848	1.2
83.01350	2.4
85.02960	4.3
87.00867	2.0
89.02426	6.0
93.03449	12.9
95.01385	1.0
95.04996	1.3
96.95985	3.4
101.02428	4.2
105.03452	1.4
107.05002	5.2
108.02175	1.6
109.02950	1.3
113.02418	4.1
119.03494	2.0
119.05001	2.1
121.02929	3.8
122.03716	1.6
123.04519	17.9
125.02438	1.1
133.02940	15.7
133.04857	1.2
135.04523	7.0
136.01689	1.8
136.05199	0.9
137.01427	1.2
137.02435	19.7
147.04526	6.6
149.02409	2.7
149.06065	3.0
150.06758	1.4
151.02849	1.4
151.03998	14.7
151.05870	1.6
152.01129	1.1
153.01889	2.6
153.05534	1.3
161.02502	1.0
161.04546	2.2
162.03203	2.0
165.01884	2.7
165.05537	14.3
177.01907	100.0
177.05418	10.5
178.02281	6.1
180.04234	2.3
190.00969	1.4
194.04492	1.1
194.98306	1.9
195.02972	20.3
195.04941	2.0
195.06630	10.0
196.03242	1.0
215.74632	0.9
298.25549	0.9
299.07736	3.2
308.04904	0.9
357.08182	66.8
358.08325	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	356.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.2
61.98824	100.0
69.74087	2.2
69.74473	0.9
79.80758	0.4
121.02937	0.8
126.55148	0.4
149.59866	0.4
153.38527	0.5
192.95903	0.6
348.07697	0.5
357.05908	0.5
357.13565	0.6
357.26654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12376	4.1
53.73708	4.4
57.75583	3.7
59.01373	10.1
61.98822	86.2
71.62416	5.5
105.97617	4.4
120.61923	4.0
121.02948	13.8
134.04333	4.9
209.36247	4.4
265.69019	5.2
274.84280	4.4
285.24335	100.0
295.26419	4.3
307.40237	5.1
339.25397	5.4
357.13278	8.2
357.26208	7.0
357.30099	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	357.0609
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.43756	0.4
52.10954	0.3
54.53853	0.3
58.36107	0.4
59.01363	0.7
61.71053	0.4
69.33017	3.3
69.33430	0.8
98.24339	0.4
121.02942	100.0
122.03282	3.5
126.58804	0.4
165.01906	0.7
171.10051	0.5
180.05832	1.7
181.06566	6.8
182.06908	0.7
203.05534	0.4
225.05544	5.8
226.62360	0.4
285.20657	2.2
313.07126	8.2
314.07379	1.4
357.06100	36.8
357.26511	2.1
358.06418	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	356.0982
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01377	3.2
61.98840	0.3
69.53966	2.6
69.54282	0.6
70.84026	0.3
71.01382	1.1
71.87081	0.3
85.02953	0.7
98.20569	0.6
101.02410	0.6
106.06618	100.0
107.06330	0.6
107.06954	4.7
108.08176	6.0
113.02437	1.3
118.06645	1.0
120.08179	1.0
130.06546	0.5
131.03745	1.2
146.06134	0.6
150.05592	51.0
151.05957	2.6
164.07147	8.8
165.07417	0.5
174.05618	1.0
192.06648	7.1
193.07036	0.6
194.04558	28.4
195.04897	2.0
211.01105	0.4
236.05598	4.5
237.06181	0.4
266.06595	0.6
277.32291	0.4
296.07745	4.5
297.03122	0.4
297.07819	0.5
315.18173	0.7
327.12451	0.7
342.38263	0.4
356.09808	9.7
357.10287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2274
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01373	2.1
61.98827	1.5
68.99848	1.1
69.29250	10.1
85.02937	2.6
90.65561	0.9
98.19865	1.6
101.06105	1.1
109.02951	3.1
119.42590	0.9
122.03734	10.3
127.07635	1.9
127.11796	0.9
135.03494	1.3
135.04504	24.5
135.05478	1.8
136.01628	1.2
136.04865	1.1
147.08107	2.1
149.09689	8.3
151.07640	2.0
154.02681	2.3
161.09677	10.7
163.07603	3.3
163.11264	56.0
164.08414	15.8
164.11600	3.4
165.09167	8.9
177.09184	73.6
178.09949	19.4
179.10747	75.9
180.11086	7.1
183.10228	3.2
185.80801	1.0
187.11288	1.6
191.10754	14.6
192.10985	1.3
193.08664	10.7
247.37086	1.0
280.14584	2.8
284.92624	1.2
298.15686	51.6
299.16061	7.8
307.16937	2.7
309.22061	2.1
322.19315	1.1
337.15643	1.3
337.21686	58.5
338.22101	8.4
340.20364	94.7
341.20700	15.0
355.22751	100.0
356.23132	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	355.2484
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
57.03432	1.2
59.01377	2.0
61.98847	0.5
66.91159	0.4
71.05019	1.1
71.22666	0.6
84.52177	0.4
85.06525	0.4
87.04510	0.5
89.00125	0.4
95.42268	0.4
97.06553	0.7
108.02139	0.4
113.06129	0.5
123.08119	1.1
125.09720	4.0
141.12851	0.8
174.31743	0.4
190.05133	0.4
193.01245	0.9
211.13391	0.6
211.16974	0.5
265.18011	0.7
281.24854	0.7
295.22763	1.8
307.22836	0.6
319.22662	0.5
325.23798	21.1
326.24216	2.0
337.23819	1.8
353.23276	0.7
355.07083	0.9
355.24838	100.0
356.25186	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	355.2851
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
59.01375	2.3
61.98833	6.2
65.95387	1.0
71.61852	0.8
114.61504	1.1
114.97848	0.9
158.39056	0.9
213.19138	1.0
241.23076	1.0
291.26898	1.8
293.28464	54.7
294.28732	8.0
311.29431	2.1
337.27457	17.3
338.27710	3.7
355.28479	100.0
356.28815	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1394
Annotation	14-Acetoxy-3-oxofloridanolide
Peak:m/z	Relative Intensity
50.52840	0.6
55.01869	1.6
57.03454	1.3
58.10323	0.6
59.01372	10.0
68.99790	1.2
71.00990	0.9
71.01374	13.5
72.99305	1.3
73.02934	4.4
83.01385	3.1
85.02938	8.1
87.00862	1.6
89.02442	0.8
93.03450	16.7
94.03762	0.9
95.01396	4.5
96.99300	0.7
99.00864	2.2
100.35822	0.7
101.02429	13.4
101.06076	3.5
102.98608	1.5
108.02167	25.1
109.02974	8.9
113.02441	6.1
121.02995	1.8
136.01636	4.0
137.02431	45.8
138.02776	1.7
149.05853	0.8
149.29097	0.8
149.61909	0.7
151.04045	0.8
159.02986	0.7
161.04546	2.1
175.04008	1.1
177.05493	0.9
188.58412	0.8
192.00604	1.4
193.01344	1.2
235.11754	1.0
265.07333	0.7
281.06592	0.9
318.15500	0.8
333.08350	0.7
355.13928	100.0
356.14243	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	355.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01706	1.2
69.71864	2.4
69.72283	1.1
71.01375	10.5
73.02935	2.7
83.01368	1.1
85.02943	3.8
92.19232	0.5
95.01401	1.1
101.02419	5.3
109.99531	0.5
111.62582	0.6
113.02438	5.1
132.05821	0.7
133.06581	27.3
134.06947	1.6
159.03009	1.1
161.04549	14.7
161.05843	0.9
179.93381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.6
59.01376	100.0
61.46863	2.4
61.98826	88.9
63.43797	2.9
66.08440	3.1
69.48001	10.4
69.48427	11.4
71.01376	63.0
72.99300	6.6
73.02953	7.8
73.55487	3.4
75.00857	4.1
85.02947	46.9
87.00105	2.9
87.00880	6.1
89.02437	69.4
97.02953	5.0
101.02438	32.5
113.02451	25.9
115.04018	9.8
117.88400	2.8
119.03498	22.6
131.03511	5.8
133.05042	4.2
143.03513	5.8
149.04594	3.9
150.49232	3.0
161.04552	15.9
179.05591	20.9
221.06512	4.1
235.08160	11.9
293.09131	3.0
295.13843	4.1
355.12518	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39981	0.4
59.01097	0.6
59.01379	9.4
61.98822	0.9
71.01385	4.7
71.62524	0.7
72.99299	0.8
73.02927	0.8
75.06754	0.5
85.02944	1.9
87.00903	0.7
89.02435	3.4
93.03455	0.6
95.01408	0.5
96.96002	1.4
101.02428	2.2
113.02419	2.0
119.03508	1.1
119.05025	0.5
121.02972	1.1
123.04512	0.5
132.02171	12.5
134.03729	8.2
137.02390	0.9
145.02957	0.8
148.05312	0.5
149.06120	2.2
160.01648	63.2
161.01974	3.4
168.61447	0.4
174.01778	0.6
174.03114	0.6
175.03990	100.0
176.04327	6.8
176.48032	0.4
178.02708	0.5
191.05652	0.6
191.07188	1.5
192.06021	0.5
192.53984	0.4
193.01326	0.7
193.05017	17.5
194.05388	1.3
202.02760	0.8
203.55611	0.4
205.05070	0.7
207.06532	0.7
217.05025	6.4
218.05469	0.6
235.06070	3.4
265.07199	1.2
295.08194	1.5
319.14047	1.9
355.06509	0.8
355.10385	8.3
355.14468	0.9
356.10519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83809	1.2
59.01365	4.3
61.98820	14.8
71.01366	2.7
71.61949	1.8
80.38953	1.2
85.02940	7.3
86.03274	1.4
87.00861	1.9
93.03455	3.2
96.21609	1.1
96.95993	1.6
100.14828	1.2
101.02399	1.8
108.02141	1.6
109.02880	2.3
121.02905	2.3
133.02980	2.7
134.03723	100.0
135.04022	5.6
136.01654	3.5
137.02432	6.3
139.03961	2.1
149.02441	2.8
149.06058	33.3
150.03142	1.2
150.06366	2.2
161.02350	1.7
163.04041	1.3
164.01088	2.4
165.01840	2.2
165.05537	1.3
174.01727	6.6
178.02666	20.2
191.05568	29.4
192.00616	34.5
192.05910	29.6
193.01392	82.3
193.04802	95.2
194.01712	3.8
194.05247	7.7
194.86661	1.1
195.63542	1.3
232.18367	1.2
293.12451	2.6
295.08121	1.9
355.06534	28.0
355.10330	16.0
356.06873	3.5
356.10693	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	355.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.6
59.01376	100.0
61.46863	2.4
61.98826	88.9
63.43797	2.9
66.08440	3.1
69.48001	10.4
69.48427	11.4
71.01376	63.0
72.99300	6.6
73.02953	7.8
73.55487	3.4
75.00857	4.1
85.02947	46.9
87.00105	2.9
87.00880	6.1
89.02437	69.4
97.02953	5.0
101.02438	32.5
113.02451	25.9
115.04018	9.8
117.88400	2.8
119.03498	22.6
131.03511	5.8
133.05042	4.2
143.03513	5.8
149.04594	3.9
150.49232	3.0
161.04552	15.9
179.05591	20.9
221.06512	4.1
235.08160	11.9
293.09131	3.0
295.13843	4.1
355.12518	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64327	2.2
55.01879	3.0
57.03437	3.5
59.01376	45.5
61.98841	3.9
70.45647	3.7
70.46002	6.8
71.01377	21.6
72.99286	3.5
73.02936	2.3
75.00858	5.6
78.11712	3.0
83.01373	2.8
85.02953	12.9
89.02430	10.2
92.96722	2.5
93.03434	7.7
96.79133	2.2
96.95995	6.7
98.20486	3.6
98.95577	6.5
101.02438	11.3
111.80723	2.3
113.02460	12.5
119.03510	3.7
121.02922	5.0
132.02155	8.3
133.02939	5.4
134.03731	80.2
135.04445	4.2
137.02425	18.6
147.04524	5.6
148.05298	5.9
149.06046	23.1
160.01633	51.9
161.01981	3.9
161.04530	5.2
162.04759	3.1
175.03984	63.9
176.04781	29.2
177.01955	3.2
178.02708	9.3
191.07083	32.6
193.01277	3.9
193.05019	100.0
193.08687	4.8
194.05370	6.2
207.06577	6.7
217.05049	10.0
220.03687	4.5
221.78552	2.4
235.06078	74.0
236.06436	3.4
236.73364	2.6
245.48201	2.3
265.07172	36.5
266.07425	3.0
267.22299	2.6
295.08197	78.0
296.08539	5.7
320.76932	2.8
325.07401	2.6
355.09961	19.4
355.17624	9.1
356.10965	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	353.1861
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
56.43398	0.8
59.01376	5.1
61.98829	1.0
69.45155	0.9
69.58414	3.6
69.58835	2.1
71.05018	3.1
92.59149	1.0
98.19911	1.7
100.58945	0.8
112.29455	0.9
116.53173	0.8
171.10255	16.3
181.63376	0.9
190.01900	0.9
190.52826	1.0
191.05542	5.3
202.19113	1.0
239.61914	1.1
261.74274	0.9
277.21643	14.3
278.22137	2.2
287.28427	1.1
295.22754	21.4
296.23175	2.7
309.28036	2.7
317.20801	1.2
353.18597	100.0
353.26633	6.0
354.18954	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2116
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01366	0.2
69.53986	1.4
72.78259	0.2
79.95732	0.3
80.62353	0.2
96.96004	2.3
123.94269	0.2
129.25243	0.2
130.67613	0.3
163.11267	93.1
164.11601	5.5
177.09187	70.7
178.09541	3.9
190.09978	0.4
194.05800	0.3
222.08919	0.6
263.23785	0.2
330.67523	0.2
353.21152	100.0
354.21509	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	354.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95469	5.8
59.01358	13.3
61.98825	100.0
69.37539	18.6
69.37973	21.5
69.47457	5.0
89.68682	6.2
93.43431	4.5
98.20692	7.0
102.05949	4.8
102.08707	4.5
110.17727	4.8
157.61623	4.5
253.05000	17.1
253.80022	5.5
355.06915	5.8
355.11765	10.5
355.19159	7.4
355.24765	11.9
355.28763	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	355.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29837	0.6
53.63782	0.5
54.00245	0.6
59.01373	10.2
59.24879	0.5
69.03423	0.6
69.98962	2.5
71.01375	5.5
71.31960	0.6
75.68031	0.5
83.01400	0.6
85.02934	1.7
87.00826	0.6
89.02443	2.2
93.03425	1.0
95.39893	0.6
96.95995	2.0
100.05800	0.7
101.02435	2.5
113.02419	1.5
119.03481	1.1
124.83813	0.6
131.68121	0.6
132.02156	13.7
133.02504	0.9
134.03720	8.2
137.02489	1.2
140.85709	0.5
145.02928	0.7
147.04449	0.8
149.06053	1.3
160.01642	66.9
161.01950	3.5
174.03169	0.7
175.03976	100.0
176.04341	7.8
178.02721	1.0
191.07109	2.3
193.01379	1.2
193.05028	18.8
194.05391	1.4
202.02689	1.0
217.05048	6.2
235.06078	3.8
265.07147	1.4
295.08209	2.0
319.13898	1.5
355.10361	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	353.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
67.01401	0.2
67.01877	0.3
69.50336	0.6
69.50753	1.0
71.01373	0.8
81.03447	0.3
85.02937	6.4
86.03227	0.2
87.00869	1.4
87.45941	0.2
93.03448	2.4
99.04487	0.3
109.02950	0.7
110.45493	0.3
111.04507	0.8
111.97108	0.2
127.04008	2.0
133.02930	0.7
161.02408	2.0
171.02942	0.3
173.04504	1.0
179.03459	0.6
179.57503	0.3
191.05588	100.0
192.05942	5.3
353.08765	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	353.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.6
59.01379	0.7
69.67297	1.9
69.67712	1.2
69.88744	0.5
79.95740	1.6
85.02946	1.9
96.96003	100.0
97.95914	0.7
98.19788	0.5
101.02419	1.1
104.50735	0.5
129.01959	0.5
129.09187	0.7
143.07016	0.5
144.08591	0.5
191.05602	1.8
196.02368	0.6
254.33058	0.5
273.17044	2.0
315.25293	0.4
349.64722	0.5
353.12711	41.1
354.13080	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	351.1703
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01367	5.0
61.98837	0.7
69.51572	0.6
71.62332	0.7
74.52390	0.6
74.96162	1.4
96.96014	2.0
121.10223	6.6
146.68851	0.7
154.25629	0.9
171.10248	15.9
172.10626	1.0
192.95802	0.9
229.04797	0.9
231.21140	0.8
248.19160	0.6
275.20105	18.4
276.20471	1.6
293.21198	12.2
294.21426	1.2
351.17038	100.0
352.17398	11.1
358.31622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
61.98826	100.0
67.01897	0.5
70.92876	1.1
71.01391	0.9
85.02942	2.7
85.63763	0.4
93.03456	2.0
96.96027	0.4
105.38476	0.4
106.97325	0.4
109.02960	0.6
111.04487	0.8
133.02946	0.5
135.04526	4.5
137.02423	0.5
149.02448	0.6
155.03716	0.4
161.02396	0.8
169.98914	0.4
173.04526	6.8
173.77281	0.4
179.03467	4.6
181.51505	0.3
191.05589	34.5
205.05032	6.1
216.86583	0.4
230.32352	0.4
233.04520	5.9
278.77469	0.4
353.08749	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	353.0874
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.60530	0.2
53.01774	0.2
54.56939	0.2
59.01374	1.1
62.41249	0.2
67.01888	0.3
70.90161	0.3
71.01375	0.4
77.06568	0.2
79.80843	0.2
83.05000	0.3
85.02945	7.9
87.00844	1.5
93.03450	2.5
93.03999	0.3
99.04515	0.3
109.02959	0.5
111.04518	0.8
117.39041	0.2
127.03986	1.7
133.02934	0.4
135.04480	0.9
155.03435	0.3
161.02362	1.5
171.03044	0.4
173.04489	1.3
179.03442	0.8
191.05588	100.0
192.05914	4.0
353.08701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
56.18559	0.8
57.03462	1.0
58.00598	1.0
59.01376	100.0
60.01718	1.1
61.53654	0.8
61.98824	31.9
62.00612	0.9
65.63956	0.9
69.03519	0.8
71.01378	14.0
71.62255	1.2
73.02941	9.2
75.00902	1.4
83.01371	1.7
85.02944	15.3
87.00858	2.5
87.04514	3.1
89.02435	6.4
93.03454	2.2
96.96008	15.5
97.02966	1.0
99.00860	1.9
101.02432	12.4
103.04028	2.0
105.03488	0.9
108.04522	1.7
109.02945	1.6
111.00907	1.0
113.02428	7.3
115.04012	1.0
119.03500	3.7
120.99561	1.0
122.06102	1.6
129.01953	1.0
131.03569	0.9
133.02942	5.7
133.03864	1.1
135.04532	1.0
138.01851	0.9
138.05591	1.0
143.03439	0.9
145.04959	0.9
149.04790	1.7
153.01842	1.0
159.02942	0.8
161.04552	7.2
166.05101	1.0
167.05870	1.7
171.10242	3.1
173.04544	2.0
177.01906	2.2
179.05612	1.3
191.01945	3.1
191.05557	2.5
215.05563	1.4
229.09697	1.4
231.11461	0.9
233.00806	1.2
247.10786	1.3
271.10712	4.0
289.11877	2.1
291.07166	1.4
291.14395	6.7
307.12967	5.6
333.11005	1.1
333.15521	1.5
351.11749	12.3
351.16498	41.6
352.11868	1.5
352.16925	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	350.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91090	0.3
61.98821	100.0
63.29725	0.4
71.39803	0.5
89.46244	0.3
107.23805	0.3
128.32457	0.4
135.04532	1.6
151.00380	1.5
279.75214	0.4
287.05624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02974	0.2
60.71362	0.3
70.35500	0.3
71.62346	0.3
79.95725	2.3
80.89162	0.3
88.65942	0.3
95.54395	0.3
96.96001	100.0
98.20598	0.5
101.02437	0.5
101.06100	0.3
125.06074	0.3
127.07568	0.3
130.81290	0.3
135.42464	0.3
154.09100	0.3
189.01767	0.3
209.15417	0.3
220.62372	0.3
253.14296	0.4
271.15601	1.5
333.10025	0.4
336.91562	0.3
351.11133	40.4
352.11514	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32858	0.5
59.01373	100.0
60.01704	1.5
61.76429	0.5
70.00425	2.7
71.01373	10.1
73.02944	2.6
74.43875	0.7
79.04171	0.5
80.74697	0.6
83.01366	0.8
85.02940	4.2
86.03286	0.6
87.00917	0.6
89.02460	0.6
99.00864	1.1
101.02416	5.8
104.80329	0.5
113.02452	3.8
125.03303	0.5
135.49342	0.7
147.06656	1.1
153.05577	2.0
159.02995	1.6
161.04532	14.6
291.10837	1.4
315.10858	0.7
351.12985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01697	1.1
61.98827	8.7
69.90666	2.5
71.01385	5.9
73.02940	2.0
74.72526	0.5
74.85533	0.5
75.24462	0.5
77.11774	0.5
80.96738	0.5
83.01434	1.0
83.05025	0.7
85.02948	5.0
85.99349	0.6
87.00854	0.8
87.04514	1.0
89.02437	3.6
93.03468	2.3
95.01420	0.8
96.96019	0.8
98.19873	0.7
101.02430	3.7
103.34362	0.5
105.03492	1.2
108.25968	0.5
109.02947	1.2
111.04491	0.8
113.02447	2.5
114.23191	0.5
119.03516	1.2
133.02927	5.2
135.04506	2.8
153.01967	1.5
161.04573	4.8
173.04546	2.7
177.01935	2.2
191.05554	3.0
199.91733	0.6
215.05687	2.3
255.97205	0.5
289.11896	0.7
291.14481	9.7
307.13150	0.8
316.63242	0.5
339.86200	0.6
351.07394	1.7
351.12271	1.8
351.16379	3.0
351.20526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01877	3.3
57.03447	5.0
58.00591	3.7
59.01374	100.0
60.01696	0.9
61.98818	1.5
63.08078	0.7
69.03447	1.1
69.27531	1.9
69.27946	5.1
71.01378	87.1
71.05001	0.6
72.01713	1.5
72.99304	5.1
73.02940	13.8
74.99122	0.7
75.00873	2.3
80.96519	0.7
83.01381	6.6
85.02942	28.0
87.00880	4.3
87.04505	4.6
89.02435	58.8
90.02787	1.4
94.45338	0.7
95.01389	6.5
96.96013	1.9
97.02926	0.9
99.00890	6.5
99.04498	2.3
101.02435	52.0
102.02775	1.6
102.98618	1.2
113.02437	35.6
113.06055	1.1
114.02779	0.8
119.03497	27.3
120.03864	1.7
120.99623	1.5
122.06087	0.8
125.02425	2.5
129.01930	0.8
131.03505	2.8
141.09258	0.8
143.03477	5.1
149.04572	2.0
159.02972	3.9
161.04556	27.4
169.08768	1.0
169.12344	0.9
179.05568	7.5
182.67792	0.7
183.10280	2.6
185.11807	1.4
187.13393	15.5
188.13860	1.2
217.09837	0.9
227.09248	0.9
229.14369	1.0
261.08771	3.1
271.06256	1.1
301.10870	1.5
349.09906	2.0
349.14941	3.5
349.18637	41.1
350.18967	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94404	0.7
55.01866	3.4
57.03453	4.9
57.95934	0.8
58.00592	4.6
59.01374	100.0
60.01700	1.3
61.98822	1.3
69.03446	1.0
70.76531	0.7
71.01376	86.7
72.01701	1.7
72.99299	5.3
73.02935	11.0
75.00851	1.3
83.01387	6.0
85.02944	30.7
86.03305	1.0
87.00870	4.6
87.04509	3.9
89.02435	62.8
90.02779	1.5
95.01380	6.5
95.61317	0.8
96.95988	2.9
97.02924	1.7
99.00862	6.9
99.04454	1.0
99.53412	0.8
101.02437	48.2
113.02442	36.6
113.03234	1.8
119.02620	1.5
119.03490	30.0
120.03785	1.0
120.99645	2.8
125.02437	2.5
128.03566	1.2
129.01932	1.0
131.03484	2.9
133.06952	1.0
135.03099	0.9
143.03459	5.7
149.04549	1.8
150.50194	0.8
159.02953	3.7
161.04555	28.7
162.04869	1.1
167.03477	0.8
169.08626	1.1
171.07796	1.0
179.05588	7.4
183.10216	7.1
187.13394	14.7
190.49937	0.8
191.01984	1.0
199.14142	0.9
217.09821	1.3
227.09187	1.0
261.08823	3.0
271.06171	1.0
286.08548	1.0
301.10831	1.9
349.09814	2.6
349.14865	6.0
349.18634	48.7
350.15308	1.3
350.18939	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1864
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01862	3.0
57.03429	3.5
58.00571	3.5
59.01374	100.0
60.01702	1.3
61.71523	0.8
71.01376	92.2
71.62321	0.9
71.62726	1.5
72.01727	1.8
72.99303	5.2
73.02937	14.4
83.01380	8.1
85.02940	25.5
87.00867	5.0
89.02436	66.8
95.01382	6.8
96.95979	2.6
97.02911	1.0
99.00854	5.5
101.02435	60.0
102.02744	1.1
113.02436	37.2
119.03493	28.5
120.99670	1.8
125.02449	1.3
131.03482	3.1
136.97078	1.0
140.31171	0.8
141.09196	1.3
143.03471	6.7
149.04517	2.8
159.02960	5.3
161.04533	30.4
162.04889	1.8
166.05081	1.1
179.05597	13.8
187.13396	8.9
270.38736	1.0
272.89716	1.1
349.18597	43.9
350.18997	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	349.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
69.73526	67.8
69.73943	73.8
92.86346	21.7
96.95979	35.0
100.68015	19.9
103.01370	24.3
113.02406	25.8
131.76588	24.0
136.41385	22.5
156.22887	23.2
167.48413	21.9
174.80769	25.0
184.84677	23.3
191.03503	27.7
343.30234	22.4
350.16364	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	349.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.3
60.49760	1.8
64.53462	1.6
66.60620	1.6
70.69701	1.6
71.01405	2.4
71.58133	3.1
87.90556	1.7
91.81339	2.1
96.96004	6.0
121.10213	6.3
139.47070	1.7
156.14182	2.0
185.11768	5.5
245.19016	4.9
291.19559	15.4
313.17804	100.0
314.18143	12.1
349.15439	15.1
349.19608	3.1
351.87018	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	348.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51611	0.5
57.88409	0.5
59.01375	4.3
60.07644	0.6
61.98824	100.0
65.42630	0.5
71.01378	1.1
71.38709	0.7
80.96673	0.5
85.02965	0.9
89.02444	0.5
101.37927	0.5
101.45953	0.5
101.46674	0.5
101.71338	0.6
102.35338	0.5
109.42472	0.5
110.06132	0.6
111.09808	0.6
121.07528	0.5
123.04559	1.1
124.04861	1.0
124.99587	0.5
166.97568	0.6
169.77448	0.6
175.34750	0.6
190.12329	0.6
228.02130	0.6
253.59906	0.6
277.11902	1.1
349.14972	1.6
359.94940	0.6
363.48318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61631	0.8
55.01867	2.6
57.03444	1.5
57.41091	0.7
58.00573	1.6
59.01373	41.5
61.98824	100.0
62.52449	0.8
66.70422	0.7
71.01377	33.2
71.46422	0.7
71.62669	1.0
72.99294	2.3
73.02940	6.3
74.99057	0.9
80.96508	0.8
83.01367	3.1
85.02944	15.1
87.00856	1.9
87.71494	0.8
89.02437	15.5
95.01363	1.8
96.95997	5.5
97.02953	0.9
99.00863	2.9
101.02431	24.4
113.02431	14.4
119.03488	6.1
120.99646	1.9
125.02417	2.4
129.01938	1.3
131.03465	0.9
135.10745	0.8
143.03497	2.9
144.05786	0.9
159.02922	2.8
161.04536	18.8
164.03569	1.0
169.08708	1.6
174.01659	2.0
179.05597	2.1
183.10175	1.6
187.09727	0.7
187.13306	1.7
191.01932	1.7
195.85109	0.9
233.09094	0.8
264.88672	0.8
289.89056	0.9
305.11411	1.7
331.09174	0.9
348.16830	0.9
349.05823	3.5
349.10492	1.3
349.14880	14.6
349.18665	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	348.9857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27575	0.2
59.01370	0.6
61.98825	100.0
62.98519	0.3
63.99249	0.4
66.83715	0.2
71.60285	0.2
128.45110	0.2
135.63742	0.2
142.11665	0.2
162.98445	1.7
164.96455	0.3
203.99992	1.1
205.00061	1.7
205.99681	2.9
206.97421	74.4
207.97533	6.6
263.37579	0.2
348.98343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0019
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
53.06951	0.3
56.22174	0.3
58.99598	0.3
59.01374	2.0
60.82602	0.3
63.02397	0.6
65.00298	0.9
71.01354	0.6
73.29592	0.3
77.12031	0.3
83.01369	0.4
93.03403	0.3
96.95995	0.7
102.98594	2.8
107.01381	2.1
117.02625	0.4
117.03446	5.8
121.02912	0.4
142.02318	0.3
149.02411	3.4
150.02760	0.4
151.00366	4.2
159.04466	0.8
161.02374	0.5
181.06602	0.9
183.04544	0.7
201.05562	1.0
225.05479	2.0
227.03561	0.5
269.04510	100.0
270.04852	9.7
291.44742	0.3
317.50641	0.4
335.08926	0.4
349.00195	9.9
349.13150	0.5
350.00452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18639	0.7
55.01870	6.9
57.03447	5.2
58.00581	3.1
58.54674	0.8
59.01375	86.5
60.01680	1.2
69.03463	1.4
71.01376	92.3
71.05016	2.1
71.33470	0.7
71.62611	0.7
72.01727	1.1
72.99299	5.0
73.02939	25.4
75.00855	1.1
83.01384	13.4
83.05018	0.8
85.02943	38.0
87.00874	5.3
87.04507	2.2
89.02435	46.5
95.01382	8.2
96.96021	1.1
97.02929	1.8
97.06587	1.5
99.00867	7.9
101.02434	86.0
102.02773	2.4
111.00875	0.8
112.62383	0.8
113.02438	39.0
114.02779	1.8
115.07713	0.9
119.03483	23.1
120.99648	3.0
122.99227	2.5
123.00066	0.7
125.02423	2.4
129.01901	1.4
131.03465	2.6
135.98323	1.3
143.03494	7.5
149.04494	1.7
149.09734	2.4
159.02974	7.5
161.04543	40.1
162.04924	1.7
167.10777	1.9
179.05576	5.6
185.11836	11.7
227.12823	1.4
229.10793	1.2
245.13927	3.3
305.15924	1.0
347.17044	100.0
348.17365	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	348.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20444	0.9
61.84890	0.8
61.98827	12.7
69.37154	2.0
69.37559	6.1
76.79312	0.8
107.01358	2.8
133.02933	13.1
141.16243	0.9
149.02444	1.4
151.00319	5.1
175.03992	4.0
199.03938	3.0
217.05171	1.4
285.04019	100.0
286.04358	10.4
291.96893	1.1
334.50735	1.0
366.38950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24113	0.5
51.63282	0.5
52.08303	0.5
52.67057	0.5
53.96535	0.6
54.50269	0.5
56.54954	0.5
59.01375	10.8
69.83398	2.8
71.01374	8.2
72.01719	0.7
77.92176	0.6
84.00911	0.9
85.02937	0.6
86.02459	0.5
92.56873	0.5
95.05022	4.9
98.19953	1.2
112.04037	38.4
113.02454	1.0
113.04346	0.9
120.99644	1.0
122.06158	0.8
123.04491	0.7
123.79499	0.6
124.04034	12.0
124.04939	0.7
125.02419	0.9
126.05611	4.8
138.05548	1.3
138.09216	0.8
140.07144	4.5
141.05505	1.0
154.05092	8.8
154.08672	0.7
161.04555	0.6
164.07173	0.6
166.05078	100.0
167.05461	5.7
173.59073	0.5
182.08202	36.7
183.08521	2.2
184.06117	10.6
208.06190	1.3
226.07193	9.2
227.07556	1.0
328.10287	3.6
332.22021	0.6
346.11374	38.7
347.11652	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	347.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00069	18.2
63.07792	20.3
64.85835	18.1
69.47466	100.0
69.47891	48.1
73.84290	19.1
97.68249	19.4
110.70771	19.3
115.37940	20.3
285.03979	51.0
298.21716	22.8
347.12195	29.4
360.19263	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	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01875	4.3
57.03445	5.3
58.00596	4.9
59.01378	99.2
60.01708	1.5
63.96240	1.1
68.99809	0.7
69.03465	0.7
71.01379	100.0
71.05011	1.1
71.62683	0.9
72.01728	1.6
72.84392	0.6
72.99306	5.9
73.02945	16.9
73.03339	1.2
74.99086	2.0
75.00859	1.3
81.03440	1.0
83.01395	8.4
83.05051	1.8
85.02496	0.5
85.02947	33.2
87.00875	4.2
89.02440	51.1
90.02785	1.1
95.01391	7.4
95.05018	0.8
96.96011	1.1
97.02941	2.1
97.06592	1.1
99.00869	8.8
99.04515	1.0
101.02441	61.4
101.06092	2.1
102.02769	1.2
113.02446	40.9
113.06113	2.1
114.02759	1.1
115.07671	1.0
119.03495	23.1
120.99666	1.1
124.05295	1.5
125.02468	1.6
125.09722	12.9
129.01920	1.1
131.03500	1.8
135.98378	2.9
136.99142	1.6
143.03479	5.9
147.08182	0.8
149.04507	1.4
149.09709	65.8
150.10086	3.5
151.11269	1.1
159.02972	6.2
161.04544	41.9
162.04823	1.5
163.04028	1.5
167.10774	9.8
179.05600	6.0
179.10754	0.9
185.11815	29.3
186.12146	1.4
191.10791	0.9
203.10886	0.8
207.10295	1.3
227.12888	2.9
242.62929	0.6
251.12892	2.4
259.10220	0.8
306.47491	0.7
333.17441	0.7
347.11838	2.4
347.17062	27.2
348.17474	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00371	0.5
59.01377	23.1
61.98890	0.5
64.32023	0.4
64.73263	0.4
70.10641	2.4
93.03454	5.2
116.41595	0.5
121.02948	28.9
122.03295	0.8
123.04519	100.0
124.04849	4.8
135.98999	0.4
152.13043	0.5
285.09796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49362	0.4
58.87965	0.6
59.01375	22.6
65.24796	0.4
66.97382	0.4
70.47865	1.7
75.83902	0.4
77.42542	0.4
88.30003	0.4
93.03444	4.2
121.02945	27.0
122.03278	1.4
122.25771	0.5
123.04514	100.0
124.04836	3.9
156.40564	0.5
183.06619	1.0
220.37576	0.4
233.14684	0.5
252.06026	0.5
285.09848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87260	1.2
57.03431	2.3
58.00580	3.1
59.01375	77.2
60.01735	1.2
64.02258	1.2
69.44899	1.1
69.46337	10.3
69.46658	2.3
71.01376	38.4
71.05011	1.6
72.99297	4.7
73.02939	5.8
83.01373	2.5
85.02947	9.2
87.00862	2.0
89.02433	31.0
93.03434	2.0
95.01384	4.6
98.19904	2.7
99.00905	2.9
101.02435	25.5
102.98588	1.2
104.05051	1.4
106.06629	2.3
109.02970	2.3
113.02441	13.5
113.06119	1.7
119.03483	13.7
120.99567	1.4
121.02956	8.9
121.10233	5.4
122.06062	1.2
123.04508	30.5
124.04807	1.4
124.07647	3.0
130.80637	1.3
132.04533	17.5
133.05353	8.8
134.06142	2.2
136.70697	1.3
143.03508	1.4
147.04443	3.5
149.11003	1.2
161.04579	1.7
165.01900	1.2
165.04285	11.6
165.09190	6.7
183.10168	2.5
186.09207	1.3
209.03247	2.0
213.06619	2.6
213.09363	1.2
214.12294	3.5
215.11711	3.3
225.11125	1.3
234.35660	1.3
257.12894	12.1
258.13318	1.2
267.06683	1.3
283.10837	3.4
297.11359	1.9
301.11841	8.9
302.12161	1.3
315.87076	1.2
327.09863	1.5
345.10828	30.7
345.15475	100.0
346.11139	4.9
346.15817	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	346.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13422	0.3
56.49002	0.3
59.01373	17.5
60.01706	1.1
61.01798	0.6
61.98824	100.0
69.80013	2.1
77.77892	0.3
84.18488	0.3
91.37463	0.3
98.20590	0.6
113.04955	0.3
138.76944	0.3
158.03714	0.7
159.03293	0.6
199.09500	0.3
201.02521	2.4
202.02693	6.7
203.02269	9.6
203.99974	41.9
204.02608	1.9
205.00125	4.0
205.02785	0.4
217.05733	0.3
226.25443	0.4
285.04416	0.3
307.80493	0.4
346.00882	0.7
346.04431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27625	2.1
55.01865	2.2
58.00570	3.2
59.01376	98.3
61.98817	8.4
66.97841	1.9
67.18376	1.9
69.65473	12.7
71.01377	70.2
71.05023	2.3
72.99293	4.9
83.01394	5.1
85.02954	12.9
87.00870	7.7
89.02441	84.9
92.65778	2.1
93.03437	4.6
95.01405	4.2
97.02930	1.9
101.02429	28.7
102.27085	1.9
105.29928	2.1
112.04054	5.0
113.02440	26.1
119.03527	33.8
119.05016	85.2
120.05381	5.4
123.00902	2.8
123.04501	7.2
124.01642	2.2
124.04054	3.3
125.02428	3.0
131.03467	4.2
135.04530	19.2
137.06068	3.1
139.00368	3.8
139.03999	16.9
143.03493	5.8
146.03728	13.9
147.04510	100.0
148.04842	2.8
151.00366	4.1
161.04538	7.1
165.05504	13.2
166.05075	19.2
168.00583	3.9
179.05585	19.2
182.08151	5.4
183.03003	9.8
183.06580	2.3
203.99927	2.5
207.23734	2.2
308.99991	2.3
309.11920	2.8
327.10764	7.6
345.08533	2.9
346.11279	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.0
57.41260	1.0
59.01374	22.9
69.66022	3.3
69.66438	3.0
71.01378	14.5
72.99295	1.9
79.03779	0.9
84.04556	1.5
85.02958	3.4
89.02441	12.9
95.03775	2.7
96.04576	1.4
96.96041	1.5
99.00887	1.4
101.02433	7.8
104.05075	3.1
106.06620	6.6
112.04050	1.3
113.02438	5.4
119.03509	6.0
121.02953	3.6
122.06125	3.3
123.04494	6.6
124.07664	10.0
126.20549	1.1
132.04543	54.8
133.05347	29.5
134.06137	8.0
138.05576	1.1
143.03661	0.9
147.04440	1.1
148.03992	1.7
150.05617	2.8
161.04550	1.8
165.04285	33.1
176.03546	1.8
176.07175	1.6
177.04274	5.7
178.05081	2.3
179.05640	1.3
183.10364	1.7
186.09215	6.2
187.08665	1.3
198.09305	1.6
209.03249	10.1
212.10864	1.0
213.06700	4.3
214.12407	12.3
215.11763	10.4
229.09816	5.8
240.10239	1.8
241.09920	3.9
255.11333	1.6
257.12936	38.5
258.13293	3.9
281.97119	1.4
283.10834	10.6
301.11938	32.0
302.12106	2.9
327.10077	2.3
345.10907	100.0
345.15472	12.4
346.11240	11.7
346.15649	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	345.1088
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01385	1.9
69.41969	4.7
81.28394	0.5
84.04536	0.9
85.02951	0.6
90.60857	0.5
94.02988	0.8
95.03767	2.2
96.08220	1.1
104.05067	1.5
106.06606	4.9
120.04593	0.6
121.02959	1.0
122.06107	2.4
123.04521	3.2
124.07680	8.7
132.04538	35.5
133.05342	23.5
134.06146	5.5
148.04034	2.5
150.05597	1.7
161.07101	0.6
165.04295	19.2
166.04599	0.8
176.03481	0.8
177.04274	4.3
178.05063	2.0
183.10173	1.0
184.07674	0.9
185.08470	1.0
186.09227	3.6
187.08693	0.6
197.02724	0.9
198.09274	0.6
200.40091	0.5
209.03275	4.4
212.10789	0.7
213.06709	2.9
214.12355	6.9
215.11838	8.0
216.12411	0.8
225.06667	1.0
226.07465	1.5
227.08217	0.8
228.09087	0.9
229.09724	4.0
240.10278	1.8
241.09743	3.2
255.11267	1.6
257.08658	1.4
257.12927	22.3
258.13229	2.0
268.08435	0.7
283.10843	7.5
284.11246	0.9
301.11874	18.3
302.12238	1.6
327.09723	1.1
345.10858	100.0
346.11206	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	344.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	13.6
61.98824	100.0
70.49837	1.8
71.01375	13.1
73.02929	3.6
85.02994	2.2
87.00879	4.3
89.02457	11.7
93.03449	9.8
97.02901	2.1
98.19855	5.4
101.02446	5.4
107.05017	5.9
113.02462	4.0
115.00370	6.9
117.01926	9.0
119.05013	20.5
120.05328	2.2
123.04460	1.8
127.00385	2.6
133.02946	15.5
135.04517	5.4
139.04042	2.6
147.04482	2.1
149.06100	3.4
163.03979	49.6
175.02455	8.7
177.05542	5.8
181.05040	16.1
221.04504	34.9
222.04810	2.1
229.18880	2.2
237.07680	3.2
266.93130	2.3
281.06647	9.2
316.74493	2.0
330.10818	2.1
345.10184	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	345.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
59.01374	23.3
61.98801	0.6
65.33833	0.5
69.57410	3.5
71.01373	2.8
71.05016	9.1
73.02928	0.6
79.90781	0.5
83.01373	2.9
85.02929	1.4
87.00850	0.7
88.13902	0.5
89.02432	1.2
93.03464	0.9
95.01379	0.9
95.05017	3.6
96.95985	2.4
97.02950	14.1
101.02422	0.8
111.02007	1.5
112.04036	2.5
113.02451	1.1
121.02939	1.0
122.04082	0.5
123.00900	2.5
123.04517	25.0
124.04036	0.6
124.04879	0.8
137.02426	0.6
138.03195	0.7
139.00415	3.1
139.03998	100.0
140.04362	4.2
151.05173	0.6
153.05486	0.9
155.48625	0.5
161.04510	1.6
163.04005	3.5
165.05518	0.7
166.05083	6.4
181.04996	1.1
182.08199	1.5
182.99313	1.0
183.02975	2.7
183.06607	0.8
184.06128	0.7
191.05670	0.5
200.84824	0.5
213.05180	2.6
213.68155	0.5
225.03906	0.5
226.07272	0.7
285.09729	0.8
292.10443	0.5
345.04385	1.2
345.08316	15.2
346.08105	0.8
346.11557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20144	0.3
53.96177	0.3
55.54692	0.3
57.03431	0.6
59.01375	4.0
67.01851	0.3
69.03443	1.3
71.28782	0.6
72.08059	0.3
81.03436	0.3
83.05019	1.7
88.62643	0.3
89.57040	0.3
97.06533	0.4
98.94868	0.3
99.08149	6.2
109.06543	0.6
110.93994	0.3
111.08112	0.3
113.09721	0.4
121.02972	0.3
121.10229	3.8
122.10596	0.4
125.09717	1.6
127.11259	1.1
137.09673	1.4
139.11256	1.2
146.04900	0.3
149.13358	0.4
151.11267	0.5
163.11295	0.4
165.12840	1.1
167.14345	0.3
171.10248	23.6
172.10567	1.4
175.11217	0.7
193.12302	12.0
194.12624	0.9
195.13974	0.3
211.13347	2.7
225.14928	14.8
226.15271	1.1
243.15958	5.6
259.15991	0.3
289.17990	3.8
290.18362	0.7
293.21170	2.2
311.22394	0.4
313.00009	0.4
325.24057	0.7
343.24826	100.0
343.28372	5.8
344.25183	13.1
344.28711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2484
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01376	2.2
62.06315	0.4
64.03190	0.5
65.51780	0.4
71.19146	0.6
113.09690	0.6
121.02881	0.5
121.10224	10.6
122.10604	0.8
122.72728	0.5
125.09749	0.8
127.11275	2.5
136.01649	1.6
137.09720	2.2
139.11285	2.0
151.03984	1.1
153.09178	0.7
165.09213	0.7
171.10248	62.5
172.10579	2.3
187.75163	0.4
293.21158	1.7
305.17566	0.5
340.55826	0.4
343.24829	100.0
344.25140	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	343.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
62.57376	1.1
71.01360	8.0
83.07813	1.1
85.02928	3.4
89.02449	6.9
95.05012	4.0
96.95983	1.5
101.02421	4.7
107.22164	1.2
113.02412	2.8
119.03487	2.3
120.99597	2.6
135.04475	1.1
137.09668	2.4
142.17230	1.1
157.05042	11.6
161.04498	2.2
167.10765	7.1
179.05513	1.6
179.25500	1.3
255.10527	10.1
343.04691	1.9
343.08557	3.7
343.17490	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	343.2484
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.29956	0.4
53.34752	0.4
55.35075	0.4
59.01371	4.1
74.93906	0.4
83.19936	0.5
85.92982	0.5
108.08662	0.4
165.86052	0.4
168.44443	0.5
179.61668	0.5
201.02499	0.7
213.25923	0.5
227.62985	0.5
230.07961	0.6
234.57393	0.6
253.25412	0.7
263.23688	5.1
264.23990	0.9
279.23230	0.9
281.24838	24.3
282.25275	3.3
297.24319	35.5
298.24701	3.8
307.22476	0.6
312.99857	0.9
325.23788	2.4
328.02197	1.2
343.24844	100.0
344.21146	0.8
344.25229	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	343.2485
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
58.29020	0.5
59.01356	1.3
71.41966	0.7
71.42322	0.7
71.67598	0.5
82.80679	0.6
97.06587	0.8
99.08155	4.6
121.10188	4.1
125.09740	1.0
127.11250	1.0
137.09718	1.0
139.11282	1.3
145.51994	0.6
149.13295	0.6
171.10249	28.8
172.10550	1.9
187.50481	0.6
193.12320	8.6
211.13362	1.9
225.14961	10.9
243.15929	2.8
293.21262	3.0
343.24835	100.0
344.25162	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.103
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01374	13.4
68.79643	0.3
69.82574	1.8
69.99802	0.3
71.01385	0.8
81.03428	0.3
83.01373	0.4
89.02439	0.7
93.03450	0.6
95.05013	0.4
107.05038	0.8
109.02949	5.5
109.06589	3.2
118.87589	0.3
119.05017	4.0
121.02950	5.8
122.03737	1.0
125.24439	0.3
135.04523	4.8
136.04916	0.4
137.06070	29.6
138.06387	1.0
146.41602	0.3
166.02690	3.6
180.07936	0.5
181.05048	100.0
182.05365	6.7
219.22375	0.4
307.13968	0.6
310.73090	0.3
343.10266	15.8
344.10489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03443	1.6
59.01096	1.4
59.01374	25.5
61.98816	6.7
68.21989	0.9
69.95831	3.4
71.00992	1.1
71.01378	19.3
72.99300	1.6
73.02946	6.9
75.00859	1.0
83.01357	4.4
85.02948	9.3
87.00876	1.9
89.02438	11.1
93.03453	28.6
95.01377	2.6
96.74648	0.9
96.99270	1.2
98.32822	0.8
99.00889	1.8
101.02434	19.8
102.02782	0.9
108.02181	0.9
113.02426	8.3
114.81601	0.8
114.93687	0.8
119.03479	2.9
119.04993	2.5
121.02923	1.6
135.04469	0.9
136.01680	2.4
137.02432	74.2
138.02791	3.0
148.28920	0.9
151.06645	0.9
159.02992	1.4
161.04536	2.3
163.03990	5.3
181.05057	4.3
193.17303	0.8
197.04515	0.9
221.04504	2.7
223.08241	1.3
281.06699	2.1
343.10291	100.0
344.10556	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	343.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01708	1.5
62.73601	0.5
69.32598	4.5
69.32983	1.0
71.01377	4.6
77.36483	0.5
89.02439	5.0
101.02468	1.6
113.02446	1.5
119.03509	2.1
121.10073	0.5
179.05661	1.1
190.94402	0.6
343.08191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	87.3
60.01707	0.9
61.98826	0.6
63.14466	0.4
69.85581	2.0
94.86934	0.4
108.55901	0.5
136.93999	1.0
142.72115	0.4
146.11961	0.5
157.03522	5.4
158.03714	0.5
159.01480	3.4
178.95001	3.1
178.97768	1.0
183.56354	0.5
201.02527	100.0
202.02704	10.7
260.95261	1.5
277.77814	0.6
280.22891	0.6
328.02011	0.6
343.03638	2.9
344.03806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.1
59.49646	0.3
65.98380	0.3
68.84628	0.3
69.52869	0.8
69.53280	1.5
71.01369	0.7
73.41931	0.3
81.03442	0.7
85.02943	0.7
89.02464	0.3
93.03439	0.5
95.05019	0.6
95.53859	0.3
101.02448	0.4
107.05028	0.6
109.02946	5.6
109.06576	3.7
119.05031	4.7
119.23466	0.3
121.02950	6.7
122.03738	1.7
123.04519	0.4
129.61635	0.3
130.16908	0.4
135.04515	5.4
136.05299	1.8
137.06071	30.4
138.06374	1.3
141.10954	0.3
150.06856	1.1
151.07642	1.2
162.06831	1.1
163.03958	0.7
163.07655	1.5
165.05540	0.5
180.07893	2.1
181.05046	100.0
182.05367	5.4
182.08891	0.3
312.36484	0.3
343.10297	6.3
343.14029	0.7
344.10580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42104	0.3
53.25567	0.3
57.03432	0.4
59.01369	1.2
69.03464	2.0
71.07905	0.6
78.81078	0.3
80.02658	0.4
83.05022	1.4
84.02164	3.7
90.10966	0.3
97.02972	0.9
97.06583	11.4
98.06953	0.5
99.04509	1.3
111.08181	0.5
119.08707	0.7
125.09700	2.0
127.11229	0.3
135.08099	0.4
137.09698	1.6
151.11215	0.6
165.12804	1.2
171.10260	11.8
172.10579	0.7
175.11279	0.9
177.12770	0.8
183.14059	0.4
185.11795	0.7
193.12309	15.2
194.12605	1.7
197.15515	0.7
211.13336	3.0
221.11835	0.9
225.14928	20.2
226.15237	1.8
243.15961	8.2
244.16425	0.5
253.14397	0.8
273.18585	0.4
291.19461	1.7
305.68900	0.4
341.23279	100.0
342.23642	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99003	0.4
58.85932	0.5
59.01366	1.3
69.03453	1.4
69.26176	1.2
69.26598	3.6
71.04998	0.4
84.02160	14.6
89.02475	0.5
96.92826	0.5
97.02940	4.6
97.06580	5.2
99.04510	3.0
119.08641	2.1
125.09716	1.1
127.11258	1.1
135.08148	1.2
135.47176	0.5
137.09712	1.3
137.91951	0.5
146.30859	0.4
147.62636	0.4
151.04015	1.4
151.11212	0.4
171.10245	40.0
172.10600	2.7
175.11230	0.5
193.12282	6.0
207.13802	0.4
211.13345	1.9
225.14923	9.4
243.15891	3.6
253.14503	1.2
291.19604	1.6
341.23276	100.0
342.23624	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	341.2692
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
51.07176	0.3
53.74221	0.3
57.03419	0.4
59.01361	1.0
63.82472	0.3
65.24416	0.4
71.01366	0.6
71.57504	0.3
72.92611	0.4
83.30346	0.3
84.64528	0.3
89.02406	0.6
147.03467	0.3
277.25266	0.6
279.26886	68.4
280.27234	8.2
297.27863	1.9
323.25864	19.9
324.26224	2.7
341.26910	100.0
342.27249	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	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01373	2.3
67.01871	0.2
69.03445	1.8
71.01378	1.4
71.04982	0.3
71.62784	0.3
72.66968	0.2
81.03454	0.7
83.01391	0.2
83.05022	1.0
84.02157	19.2
85.02494	0.4
85.02953	0.9
87.04527	0.2
89.02431	1.2
95.05043	0.3
97.02940	9.0
97.06555	1.5
98.03281	0.3
99.04504	5.0
101.02442	0.5
101.79500	0.2
110.03716	0.4
111.08150	0.5
113.02451	0.8
119.03465	0.4
119.08648	2.4
125.09715	1.4
127.11293	1.5
134.72780	0.3
135.08163	1.5
137.09709	2.4
153.09152	0.3
165.12907	0.2
171.10249	49.7
172.10600	3.1
175.11256	0.2
177.12856	0.4
179.05566	0.6
183.13875	3.2
193.12277	2.2
195.13879	0.4
211.13358	1.0
221.11801	1.2
225.14896	2.1
233.15491	0.3
235.13303	0.4
239.12808	1.5
240.13405	0.2
243.15987	0.9
253.14442	1.5
265.18091	0.4
273.18646	0.3
279.19498	0.3
291.19629	2.6
323.22116	0.4
341.23273	100.0
342.23605	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	341.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83888	1.6
55.01867	3.0
57.03442	6.0
59.01375	14.7
69.03451	2.4
69.61591	2.8
69.62002	7.8
71.01356	8.4
71.05010	16.9
81.03449	44.5
81.47829	1.3
83.01397	2.2
83.05018	35.1
85.02961	4.2
89.02443	9.0
89.33533	1.5
91.78427	1.4
93.03451	26.2
95.01350	2.3
95.05008	4.6
97.02946	3.8
101.02428	3.1
107.05040	3.2
109.02936	7.4
109.06577	6.0
110.03725	3.7
111.04510	95.7
112.04829	3.7
113.02452	3.8
119.03478	2.0
122.03694	4.2
123.04525	15.8
123.08152	3.6
125.09720	7.0
127.07658	3.6
127.11206	3.5
133.15239	1.5
136.05310	1.8
139.07654	9.2
141.09160	2.6
151.04002	1.9
151.07625	52.9
152.07918	3.7
167.07106	2.7
169.08676	36.0
170.09003	1.5
171.10248	100.0
172.10594	5.7
177.02014	2.3
179.05569	5.0
185.11774	2.2
189.01901	9.7
191.03441	3.1
197.11824	2.9
201.11296	19.4
209.11836	3.4
213.11240	10.4
217.01369	5.1
227.12901	1.6
251.12787	5.6
265.14496	2.1
287.16449	5.7
297.03699	1.9
301.81491	1.6
305.17566	6.0
323.18646	6.9
323.44675	1.7
341.06577	15.1
341.10660	4.1
341.19598	29.2
342.19916	4.5
349.85696	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
57.03434	3.8
59.01372	9.0
59.43513	0.9
69.03432	2.3
69.93549	4.2
71.01373	6.3
71.05008	15.4
75.32929	0.9
77.84468	0.9
80.02665	0.9
81.03447	40.2
82.03783	1.0
83.05018	30.0
84.02133	1.5
85.02951	1.6
89.02434	6.2
93.03447	21.0
95.01380	1.4
95.05014	6.0
97.02946	3.6
97.06574	1.0
98.15839	0.9
101.02396	2.8
105.07068	2.1
107.05010	3.9
109.02921	3.8
109.06570	4.9
110.03689	2.9
111.00893	1.2
111.04510	85.5
112.04813	2.7
113.02427	1.4
119.03487	1.8
121.06565	1.4
122.03702	4.2
123.03704	1.4
123.04519	12.3
123.08141	2.7
125.02350	1.1
125.06039	1.4
125.09733	4.9
127.07621	1.9
127.11279	2.9
133.06557	1.7
135.04520	2.3
136.05281	1.8
139.07603	6.4
151.07620	49.6
152.07944	2.8
169.08676	33.5
169.10088	2.1
170.09024	2.2
171.10248	100.0
172.10645	4.5
179.03532	1.1
179.05576	2.4
179.07079	1.7
201.11307	15.9
209.11853	2.1
213.11261	10.6
251.12839	6.6
287.16364	2.4
299.09601	1.1
305.17606	3.7
323.18549	5.3
341.06693	1.6
341.10754	4.2
341.19617	16.7
342.19693	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59301	1.7
57.03441	3.6
59.01374	15.1
69.03446	5.4
69.93195	7.5
71.01366	5.6
71.05015	28.9
80.02612	1.7
81.03455	30.9
83.05019	21.9
85.02928	3.4
87.04504	3.2
89.02418	5.0
90.42980	1.6
93.03445	3.0
95.05019	14.1
97.02949	8.6
97.06569	4.9
97.52227	1.6
98.20532	2.5
99.04515	37.1
100.04834	1.6
101.02402	3.4
106.04266	2.4
109.02931	5.3
109.06580	10.3
111.04510	9.0
113.02436	1.7
113.06027	2.4
119.03516	1.9
121.06597	3.4
123.08141	2.7
125.09666	2.2
133.06587	3.9
151.07651	16.7
153.09238	2.5
155.10834	2.6
165.12863	2.0
171.10254	35.4
185.11765	2.1
189.12834	3.9
191.14308	3.5
193.12291	18.5
199.13435	2.0
201.11310	2.7
207.13817	2.9
209.11818	4.5
211.13394	3.8
223.13431	3.2
235.13374	37.1
236.13770	3.8
239.12814	3.4
243.17458	4.4
249.15083	2.5
251.13034	2.3
253.14426	100.0
254.14745	9.7
287.16544	27.6
305.17526	16.0
323.18549	7.0
329.82248	1.6
341.10806	3.8
341.19650	28.9
341.23535	2.8
341.26953	2.8
342.19916	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	341.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03453	2.1
59.01369	9.1
63.71751	0.8
69.03432	1.1
69.47778	3.8
69.48186	2.1
71.01382	10.9
71.05015	5.8
73.02935	3.5
80.02650	1.3
81.03443	2.2
83.05007	8.7
84.02134	2.7
85.02930	4.9
85.06577	1.2
89.02435	3.8
93.03416	1.4
95.05031	6.8
97.02923	1.4
97.06557	3.0
98.20618	1.6
99.04506	1.0
101.02425	2.6
105.43922	0.8
107.05007	2.8
109.02950	4.7
109.06621	1.4
110.03748	1.5
111.08164	1.1
113.02438	2.2
113.06084	1.2
119.03475	1.8
120.99681	1.2
123.04517	1.9
123.08141	1.1
125.06071	9.6
125.09699	3.8
135.08130	3.0
137.06064	4.3
141.12831	1.0
149.06030	1.1
153.09181	1.2
155.07079	1.8
161.04462	1.3
163.11249	5.7
164.08405	4.9
165.12830	3.1
171.10318	1.8
177.12662	1.2
179.05562	1.5
179.10753	1.5
181.12390	0.9
185.11809	20.0
186.12143	1.4
189.01866	1.0
191.10748	1.8
197.11815	18.3
198.12048	1.6
201.11339	1.7
207.10172	1.4
209.11803	100.0
210.12137	7.3
221.11774	5.3
227.12885	13.6
228.13403	1.4
233.11798	1.3
235.13344	1.7
237.14821	2.1
239.12842	6.3
249.14810	1.7
251.12860	5.6
253.14299	2.3
257.13876	2.5
265.14407	5.5
265.44376	0.9
279.16122	1.1
287.16486	2.4
305.17587	9.7
306.17850	1.2
323.18527	11.6
324.18826	1.1
341.06549	2.9
341.10770	2.7
341.19629	25.9
341.23724	1.8
342.19916	3.8
344.67075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
58.41748	0.7
59.01377	8.1
69.40659	4.2
69.41064	1.4
71.01376	8.9
71.05031	3.8
71.89703	0.7
73.02930	1.7
80.02676	2.3
81.03452	5.1
83.05012	10.9
84.02148	2.3
85.02938	4.0
89.02428	4.4
93.03429	2.4
95.05011	3.9
97.02932	0.8
97.06592	1.4
101.02408	2.7
107.05043	1.3
109.02908	0.8
109.06602	2.2
111.04514	5.4
111.08145	1.0
113.02430	2.0
118.90170	0.8
119.03490	1.1
122.03683	0.9
123.04520	1.8
123.08141	1.5
125.06056	5.3
125.09722	4.0
135.04497	0.7
135.08162	2.1
137.06082	1.2
139.07497	0.7
143.03464	0.9
151.07637	4.8
155.07118	0.8
161.04578	1.4
163.11281	4.4
165.12860	4.3
167.08842	0.8
169.08699	1.4
171.10263	9.1
179.05647	1.8
181.12340	1.0
185.11806	10.0
191.10759	1.4
197.11804	9.1
201.11250	3.9
209.11794	100.0
210.12138	7.5
211.07994	1.6
211.13257	1.2
213.11292	1.4
221.11821	2.4
227.12891	12.4
228.13220	0.9
235.13354	1.6
239.12782	2.4
247.13271	1.6
249.14978	0.9
251.12823	3.5
252.07793	1.5
253.14398	2.0
265.14331	2.6
287.16644	1.2
305.17560	5.7
306.17773	1.0
323.18552	6.6
324.18799	1.3
341.06924	1.3
341.10748	2.2
341.19614	16.8
342.20074	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	341.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
57.03447	1.9
58.00584	3.6
59.01375	100.0
60.01725	1.1
60.87437	0.8
69.49064	2.1
69.49479	4.7
71.01377	64.8
72.01711	1.4
72.99310	3.3
73.02938	4.2
74.62205	0.9
83.01389	3.1
85.02944	15.3
87.00869	2.8
89.02438	62.7
95.01384	3.9
96.96027	2.1
98.20660	1.9
99.00877	2.7
100.18966	0.9
101.02434	38.5
113.02441	23.4
113.76926	1.1
114.02724	1.3
119.03493	27.4
119.04305	1.9
120.78819	0.9
131.03513	1.8
133.02934	1.8
135.04523	16.9
137.02458	1.3
143.03490	2.8
149.04546	2.1
149.06145	1.3
150.06876	2.4
161.02425	3.5
161.04538	3.6
161.09686	1.9
162.05615	1.1
178.06367	2.8
179.03473	12.3
179.05579	4.1
179.07047	1.7
180.03813	1.4
185.99298	0.9
221.04530	2.0
245.15382	0.9
247.84042	0.8
251.05566	2.2
252.08592	1.0
260.51935	1.0
281.06686	2.7
341.09000	3.0
341.15970	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	341.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
57.03442	1.6
57.21962	0.8
58.00579	3.7
59.01373	100.0
60.01715	1.5
71.01377	62.6
71.62094	1.6
72.99290	4.7
73.02950	4.5
83.01379	3.3
85.02934	13.2
86.03292	0.9
87.00871	3.4
89.02436	72.5
90.02779	1.3
93.03450	1.4
95.01379	5.3
96.95998	6.2
98.02480	0.9
98.95565	1.4
99.00861	1.6
101.02434	37.0
113.02440	24.5
117.97298	1.7
119.03495	26.1
129.01909	1.2
131.03484	3.5
133.09256	0.9
135.04510	3.4
137.02423	3.0
143.03513	3.1
149.04457	1.2
151.00388	1.4
161.02422	3.0
161.04494	2.9
179.03465	4.2
179.05579	4.9
179.07022	1.6
243.00278	0.9
302.72455	1.0
340.55820	1.4
341.05106	1.6
341.08356	1.8
341.11301	3.5
341.16132	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	341.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29716	0.8
55.01875	1.7
57.03438	2.8
58.00592	4.1
59.01375	100.0
70.11530	3.4
71.01377	67.7
72.99295	4.0
73.02943	5.2
75.00905	1.2
76.21458	1.0
83.01389	6.4
84.02164	1.3
85.02947	15.7
87.00874	2.8
89.02439	67.4
90.02784	1.3
93.03497	1.0
95.01397	4.4
95.49538	0.8
96.95998	3.8
99.00877	2.9
101.02441	43.0
107.05007	1.5
113.02445	25.5
113.56765	0.8
119.03498	28.9
120.03803	1.3
131.03473	2.4
133.02940	1.2
135.04514	23.5
136.04759	0.9
137.02446	1.6
143.03517	3.3
149.04520	2.5
149.06013	1.6
149.29037	0.8
150.06815	3.2
155.84091	0.9
161.02431	5.0
161.04524	5.7
161.09688	2.3
176.26205	0.9
177.05521	2.6
178.06294	4.0
179.03484	18.5
179.05771	4.5
179.07098	3.1
221.04482	2.5
251.05595	2.8
281.06586	3.7
341.08298	5.5
341.16034	2.8
342.12094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33330	0.7
57.12706	0.7
59.01373	14.4
68.15988	0.8
71.01371	5.8
71.62772	0.9
72.99287	1.0
83.01384	0.7
85.02933	1.1
87.00864	2.9
89.02440	7.1
95.02849	0.9
101.02418	3.6
102.98557	0.7
109.02939	5.2
113.02418	2.6
119.03498	2.3
120.99642	100.0
121.99999	2.2
123.04510	3.2
133.02968	1.5
135.11646	0.8
137.09763	1.0
143.03535	1.0
147.04622	0.7
151.04019	2.1
151.07744	0.8
161.02472	1.6
164.04770	9.9
171.10254	1.1
173.09750	0.9
176.01225	0.8
177.01874	9.1
179.05608	2.7
179.07162	10.2
179.10826	3.0
187.04053	0.8
189.01904	11.0
189.12811	15.0
190.02625	4.0
190.13173	1.4
191.03467	2.1
203.03505	1.1
209.11768	1.0
216.00656	2.3
217.01364	6.1
219.03021	2.4
231.02870	1.7
235.11682	0.9
253.12607	32.2
254.12936	1.9
255.03131	0.8
256.69290	0.9
266.76941	0.7
269.04248	0.8
279.16125	0.9
281.04572	1.4
297.04166	1.4
297.07599	1.2
323.18823	1.6
341.06824	27.7
341.10754	2.6
341.14221	77.5
341.19763	6.1
342.07248	3.1
342.14520	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	341.1236
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
56.72361	0.3
58.00262	0.3
59.01378	0.9
59.47955	0.3
71.01353	0.5
71.62070	0.3
89.02433	0.6
109.02960	1.9
113.02498	0.3
117.03503	0.4
123.04517	2.1
127.05825	0.3
137.02434	1.3
147.04529	0.5
151.03955	0.5
161.02431	0.5
163.04012	1.9
164.04779	100.0
165.05089	5.6
176.37450	0.3
176.61363	0.3
177.01910	2.4
179.07118	89.6
180.07428	5.5
189.01906	6.8
190.02563	1.3
191.03424	1.3
216.00510	0.7
217.01372	3.0
219.02914	1.4
231.02930	0.8
341.06555	10.8
341.12186	3.1
342.06958	0.8
342.12491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03434	0.7
58.00587	0.6
59.01373	88.7
60.01706	1.2
70.99626	0.7
71.01380	6.9
71.62590	0.9
79.95698	0.9
83.01375	1.5
83.05035	1.5
85.02951	2.9
87.72085	0.7
89.02436	5.5
93.03441	1.8
95.01369	0.7
96.96012	2.8
101.02442	3.1
109.03008	1.1
110.51948	0.7
111.00842	0.8
111.04489	6.5
112.12007	0.8
113.02450	3.4
118.20631	0.6
119.03557	2.4
119.05015	100.0
120.05357	6.0
121.02934	2.5
125.02361	0.7
135.04489	0.8
135.08150	2.0
137.02425	1.3
138.87863	0.7
143.03471	1.6
147.03061	1.0
161.04514	3.3
168.27519	0.7
179.05632	1.6
179.07068	1.0
179.10741	1.2
251.12790	0.8
281.10321	1.1
341.07132	0.7
341.11578	3.9
342.12314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36324	0.8
55.32767	0.7
57.03436	2.1
58.00581	3.1
59.01374	100.0
60.01704	1.5
70.72752	2.5
71.01376	69.3
72.01711	1.6
72.99302	2.6
73.02933	2.3
75.00855	1.1
83.01373	1.1
83.33247	0.8
85.02939	9.7
87.00860	3.8
87.84940	0.8
89.02436	87.9
90.02769	1.2
95.01380	4.5
99.00879	1.0
101.02438	33.0
107.03575	1.0
113.02440	28.6
119.03496	31.3
125.25496	0.9
131.03503	4.4
143.03474	7.8
149.04532	6.3
161.04562	9.8
179.05597	34.1
184.85854	1.1
202.60147	0.9
243.13608	0.8
270.77606	0.8
341.10849	52.9
342.11172	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27282	0.8
57.03431	2.3
58.00585	3.2
59.01375	100.0
60.01694	1.0
61.98819	1.9
69.55364	1.3
69.55775	3.8
71.01378	73.7
72.99311	3.0
73.02938	2.0
75.81020	0.7
83.01376	2.0
85.02948	9.4
87.00872	5.2
88.09589	0.8
89.02438	77.6
90.02773	1.1
95.01369	2.7
97.02869	0.8
99.00793	0.8
101.02438	31.7
102.02759	0.9
113.02448	24.7
114.02804	0.9
119.03490	29.1
125.02444	1.3
131.03510	4.3
135.04529	2.6
143.03476	7.8
149.04517	2.6
152.99362	0.8
161.02499	1.2
161.04552	10.6
179.03619	1.8
179.05602	37.7
180.05946	2.1
281.12430	2.4
296.54538	1.0
337.33112	0.8
341.10864	44.0
342.11337	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	341.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03439	2.1
58.00583	3.4
59.01374	100.0
60.01712	1.2
60.32343	0.5
70.95062	0.9
70.95399	0.6
71.01376	64.1
72.01705	1.4
72.99294	3.3
73.02946	1.8
73.69015	0.4
75.00887	0.9
83.01382	2.1
85.02938	9.3
87.00882	3.1
89.02437	76.4
90.02760	1.1
95.01378	3.4
101.02435	29.8
107.03466	0.6
113.02440	24.3
114.02769	0.6
119.03493	28.5
125.02454	0.8
131.03497	3.2
143.03503	7.0
144.03807	0.5
149.04518	2.9
161.04549	9.9
162.33252	0.4
179.05591	34.9
180.05948	1.5
274.14935	0.5
281.08704	0.4
292.59412	0.5
341.10843	48.9
342.11197	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	341.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05903	0.7
55.01876	1.1
57.03450	2.0
58.00589	3.1
59.01375	100.0
60.01714	1.2
69.66015	3.4
71.01376	73.6
72.01733	1.5
72.99309	2.3
73.02946	2.2
83.01377	1.9
85.02946	8.2
87.00862	4.1
89.02437	88.5
90.02773	1.2
95.01395	2.7
95.96415	0.7
98.74242	0.8
99.00887	1.0
101.02438	33.5
110.67471	0.7
113.02442	28.2
119.03491	32.4
125.02420	1.2
131.03476	5.5
139.63065	0.7
143.03468	7.4
149.04530	5.0
161.04564	11.7
179.05598	38.5
183.10840	0.7
247.28592	0.8
277.33246	0.7
341.10846	53.6
342.11237	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	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56519	0.4
57.03451	0.6
58.00586	0.6
59.01375	30.1
70.11700	1.9
71.01376	19.3
72.99303	1.7
73.02945	1.3
83.01389	1.4
85.02955	4.4
87.00862	0.7
89.02439	20.0
95.01383	1.3
96.96015	2.4
101.02439	10.4
107.01368	0.7
107.05019	1.7
107.06458	0.4
109.02962	0.5
113.02438	5.9
117.03439	0.8
119.03500	7.6
119.62339	0.5
123.04533	0.5
131.03513	0.5
133.02957	2.1
134.03743	2.6
135.04512	100.0
136.04834	4.9
137.02425	1.1
143.03470	0.6
149.04523	0.6
149.06058	2.2
151.00359	2.4
161.02426	10.6
161.04572	1.2
162.02798	0.5
162.05588	0.4
163.67944	0.5
175.00398	0.8
177.02020	0.4
177.05556	4.5
178.06215	0.7
179.03479	94.7
180.03784	5.2
203.03502	0.5
221.04529	5.8
251.05598	6.3
281.06647	11.1
282.06882	0.8
341.08426	7.1
342.08820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.9
59.01375	17.8
60.01714	0.9
61.98826	100.0
63.18457	0.7
71.01382	8.3
83.01348	1.0
84.98256	0.7
85.02945	2.3
89.02438	9.3
89.03946	0.9
95.01341	0.8
96.96019	0.8
99.00834	1.0
101.02435	4.9
104.02717	0.7
105.03479	1.7
106.03770	1.0
107.05034	1.1
113.02459	2.7
117.03484	1.3
118.04073	0.9
119.03485	3.1
121.02976	0.7
133.02953	10.8
134.03258	3.6
135.04504	16.2
148.01628	0.8
161.02434	23.4
161.04482	1.4
163.03857	0.8
164.12994	0.8
166.47987	0.7
177.01904	47.6
178.02254	63.7
179.02371	2.0
179.03654	9.4
179.05615	2.2
179.07053	1.0
203.03432	1.7
250.76416	0.7
269.96643	0.7
280.13724	1.1
281.06564	0.9
337.82123	0.7
340.07495	16.3
341.08398	3.2
341.11630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.11567	0.4
57.03447	0.5
58.00594	0.6
59.01376	15.3
61.39153	0.4
61.98838	0.7
63.58581	0.4
65.00335	0.4
65.67367	0.4
69.03465	0.4
71.01379	11.2
71.01749	0.7
72.99342	0.9
73.02956	0.9
85.02953	2.6
87.00861	0.6
89.02437	12.2
93.03451	0.8
95.01411	0.8
96.28630	0.5
96.96003	1.1
101.02438	5.6
107.05020	0.8
113.02451	5.1
119.03513	4.5
125.02399	0.6
131.03526	0.5
133.02957	4.0
134.02530	0.3
134.03754	3.0
134.30530	0.5
135.04514	90.7
136.04823	3.6
137.02437	1.0
143.03537	0.6
145.25858	0.4
146.03731	1.4
149.06056	0.8
151.00359	1.4
161.02437	15.0
161.04541	1.2
162.02870	0.8
164.04764	0.9
164.99471	0.4
177.01773	0.5
177.05614	2.0
178.02715	0.4
179.03482	100.0
179.90836	0.4
180.03835	6.5
203.03461	1.0
210.04605	0.5
221.04576	2.1
251.05560	2.6
281.06647	3.6
305.12143	0.8
313.30914	0.5
341.08585	15.2
341.15036	0.6
342.08948	1.1
354.30511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00988	0.5
59.01376	21.4
60.01707	2.1
61.01788	1.0
61.98825	100.0
66.22716	0.6
71.01376	7.5
71.53635	1.0
73.02946	0.7
85.02968	2.1
87.00898	0.6
89.02433	7.8
95.01393	0.7
96.95992	1.6
100.02665	0.6
101.02454	3.9
105.03463	0.6
107.05093	0.6
113.02465	3.2
117.03447	0.6
118.03008	2.4
119.03488	3.1
131.03506	0.6
133.02945	3.5
134.03334	1.6
135.04515	9.7
137.02499	0.7
143.03528	0.7
160.04095	0.8
161.02444	7.2
161.04506	1.4
177.01910	13.9
178.00710	1.3
178.02260	20.0
179.03522	8.4
179.05611	2.0
179.07079	0.9
197.99646	0.6
203.03529	1.3
234.73476	0.6
261.32449	0.6
280.14587	1.1
285.92285	0.6
334.43735	0.6
340.07419	5.6
341.10925	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73925	1.1
59.01374	13.1
89.58484	1.2
96.95052	1.0
97.02960	6.6
99.08146	2.4
123.04559	2.5
125.09720	2.2
127.11273	2.2
135.08150	2.8
151.11298	1.7
152.08415	15.4
167.10728	8.5
171.10249	100.0
172.10550	3.4
177.01674	1.7
183.01131	2.4
241.14407	3.4
271.17041	1.4
289.18173	8.3
306.18457	1.7
321.20657	39.9
321.24414	2.2
322.20868	5.5
339.17999	3.0
339.21664	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	339.2324
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.30421	4.0
73.92582	0.4
78.86256	0.5
89.84856	0.6
94.70463	0.4
141.27809	0.5
163.11269	70.6
164.11609	5.0
174.36696	0.5
272.86566	0.5
316.34518	0.5
339.23239	100.0
340.23581	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	339.217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
59.01130	0.9
59.01372	9.8
61.98828	0.7
69.03435	1.4
69.81308	4.2
71.01379	2.2
71.05014	34.6
72.38764	0.8
73.02944	1.3
76.20284	0.7
81.03445	2.1
83.05013	1.6
93.03493	0.7
93.07080	1.8
95.05013	2.6
97.06582	1.7
108.02144	0.7
109.06593	2.1
111.08150	1.3
123.08163	2.2
125.09655	3.4
126.92500	0.6
127.11278	1.4
135.08167	2.6
137.06107	1.5
146.19443	0.7
149.06010	0.9
149.09669	0.7
151.07610	1.4
151.11288	3.6
152.08423	2.2
153.09187	1.1
156.25145	0.7
156.94118	0.7
163.11284	0.8
167.10730	5.5
171.10246	100.0
172.10605	6.1
191.14510	1.2
193.12358	1.2
194.21198	1.0
225.14934	2.1
233.15454	3.6
235.13234	0.8
249.14970	4.2
265.18259	1.2
289.18155	2.6
306.18365	3.4
321.20645	54.4
322.21039	8.4
339.18054	1.7
339.21753	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	339.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.5
59.01374	24.0
69.03448	8.2
71.01366	6.4
71.05017	13.7
71.63522	2.6
81.03454	45.2
83.05022	27.5
84.02168	2.7
85.02946	11.5
93.03452	4.0
95.01369	7.8
95.05027	14.3
97.02937	17.4
97.06564	6.3
98.03740	2.6
99.04510	67.2
106.29532	2.2
106.94069	2.4
107.05019	6.3
108.02165	12.1
109.02943	11.1
109.06579	6.6
111.04524	12.6
119.04932	2.2
121.02957	20.9
121.06580	6.4
122.03735	16.6
123.04507	9.7
125.06055	2.4
125.09710	6.1
127.03989	6.4
133.06577	2.7
134.03763	3.8
135.04590	5.0
136.05200	2.6
137.06075	18.3
137.09682	4.0
139.11295	4.4
141.17654	2.3
146.02222	2.4
149.06075	27.0
153.09155	3.2
154.40842	2.1
160.05345	2.1
163.03958	3.2
167.07089	12.2
171.10249	64.5
172.10576	5.1
177.01997	3.8
177.12816	6.3
178.06354	16.7
185.11789	3.2
187.07516	2.6
191.14378	7.0
193.12370	18.3
194.12688	2.6
195.13892	4.2
199.11755	2.9
199.13370	15.9
200.04723	10.4
201.12914	2.9
205.12323	7.9
207.13899	2.6
209.11803	5.5
211.13333	3.1
217.12225	2.9
221.11914	3.8
228.07936	4.6
229.08672	32.2
231.09267	3.1
235.13359	50.2
236.13698	3.8
241.15863	3.1
245.11658	2.7
247.13344	6.3
249.11298	14.8
250.12038	13.3
253.14417	100.0
254.14713	10.7
259.17010	5.0
265.14435	8.6
272.10648	4.6
277.17908	3.3
281.14026	2.6
285.14957	12.5
301.14413	37.2
302.14929	3.5
303.15952	29.2
304.16309	5.8
321.17017	53.0
322.17407	5.2
329.68079	2.3
339.18018	9.5
339.21710	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	339.0716
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.54427	0.2
59.01373	1.5
62.13527	0.2
67.19628	0.2
69.94514	1.0
81.03460	0.4
89.03957	1.5
90.46188	0.2
93.97404	0.2
104.02669	0.6
105.03448	3.0
133.02940	7.6
134.03297	0.4
141.27937	0.2
148.01685	0.5
149.02426	0.9
155.57729	0.2
176.01103	1.4
177.01907	100.0
178.02254	5.9
181.67447	0.2
246.99152	0.2
339.07153	14.0
340.07388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
55.57583	0.3
59.01375	44.3
60.01716	1.3
61.01795	1.3
61.98822	10.4
63.12603	0.3
65.67783	0.3
70.32404	1.0
70.32739	0.3
71.01370	2.1
73.02954	0.9
73.06729	0.3
75.90437	0.3
81.03497	0.6
83.29395	0.3
85.02966	1.0
89.02436	0.4
89.03953	1.8
94.40200	0.3
99.00884	0.3
101.02418	1.7
101.33448	0.4
104.02668	0.4
105.03453	3.6
106.24017	0.3
113.02447	1.2
118.02982	0.4
125.02431	0.4
133.02946	8.3
134.03239	0.5
148.01653	1.2
149.02402	0.8
154.15831	0.4
161.04565	2.2
176.01106	2.3
177.01912	100.0
178.02249	6.1
191.03421	0.5
268.44125	0.3
277.12927	0.3
279.14426	4.4
339.07162	15.0
339.15643	1.0
340.07352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76102	0.2
59.01372	1.9
71.01359	0.4
71.36504	0.2
71.63037	0.3
72.99305	0.2
78.91873	1.3
79.95718	1.5
85.02950	0.3
88.12329	0.2
96.96001	100.0
97.95954	0.5
98.17412	0.2
127.07630	1.2
132.02142	0.3
134.03725	0.5
160.01646	1.2
175.04010	2.0
191.05695	0.5
193.05002	0.7
257.17532	3.3
258.17950	0.3
277.12784	0.4
318.86035	0.5
320.72433	0.3
336.87314	0.3
337.13202	43.7
338.13525	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45316	0.4
59.01373	0.8
60.39932	0.3
69.54259	0.6
69.54680	1.8
79.95718	1.8
87.38831	0.3
96.96003	100.0
97.95964	0.6
127.07623	1.3
149.67903	0.3
235.08105	0.4
257.17551	2.3
279.06546	0.9
291.06903	0.5
299.12042	0.4
306.08835	0.5
307.06033	1.2
308.06113	0.4
322.08487	0.6
337.13257	46.5
338.13644	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	337.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77939	0.3
59.01371	1.3
70.00147	0.3
79.95735	1.5
89.82549	0.3
91.60313	0.4
96.96001	100.0
97.95907	0.4
98.19811	0.6
98.95576	0.4
99.00841	0.6
120.95960	0.4
127.07633	1.0
241.21599	0.3
257.17593	2.6
266.09512	0.3
278.13998	1.2
282.10092	0.3
337.13214	46.0
338.13181	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	337.1419
Annotation	Aziridyl benzoquinone
Peak:m/z	Relative Intensity
55.88644	2.3
59.01364	12.6
59.90860	2.5
69.53062	2.5
69.60863	17.6
92.24123	2.5
96.96002	100.0
98.95547	4.9
121.25639	2.6
140.73521	2.8
153.91624	2.6
198.97716	2.8
209.09717	2.7
337.13190	45.4
338.13519	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	337.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
71.18905	19.7
72.38990	10.8
146.69536	9.1
168.83838	9.3
241.53728	9.4
255.23215	12.7
277.12854	19.2
287.86243	8.9
337.18350	10.9
337.23746	31.9
337.27362	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	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.3
60.01613	0.3
60.99288	0.3
62.88036	0.3
67.01881	0.5
67.73501	0.3
69.03434	0.4
69.63662	1.8
71.01366	1.1
73.02930	0.3
73.54419	0.3
83.05023	0.4
85.02945	7.5
87.00862	1.8
91.11090	0.3
93.03454	3.4
93.65941	0.2
96.11964	0.2
96.95990	0.5
99.04488	0.5
101.06097	0.3
103.29777	0.3
109.02947	0.7
111.04515	1.4
112.04855	0.2
119.05048	1.9
127.04016	2.3
145.02928	1.0
163.03969	1.6
171.02930	0.4
173.04515	1.7
191.05591	100.0
192.05930	4.5
337.09186	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	337.0924
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03432	0.7
59.01371	2.4
59.54052	0.4
63.40513	0.4
67.01881	5.4
68.69067	0.4
69.03440	1.1
69.45412	0.7
69.45820	2.5
71.01363	3.4
79.66907	0.4
81.03455	1.2
83.05010	0.9
85.02940	1.6
87.00871	1.2
93.03445	29.7
94.03777	1.1
96.95972	0.5
109.02949	0.5
111.00849	1.0
111.04509	5.5
113.02416	0.6
119.05013	15.1
127.04031	0.6
136.67183	0.4
137.02446	4.2
155.03479	4.4
163.03984	19.2
164.04324	1.2
173.04520	100.0
174.04889	3.9
191.05586	11.3
192.05899	0.6
337.09256	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	337.0926
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.48987	0.5
50.86573	0.4
59.01357	2.2
68.44030	0.4
69.53407	1.2
69.53816	1.9
71.01364	0.6
85.02942	8.0
87.00847	2.0
93.03447	4.7
95.86372	0.4
96.95995	1.3
98.20573	0.7
99.04459	0.5
109.02922	0.6
111.04485	1.6
119.04999	1.9
127.03987	1.9
130.76172	0.4
145.02969	0.7
152.39774	0.4
163.03986	1.9
171.03197	0.4
173.04512	1.7
191.05585	100.0
192.05946	4.4
242.48009	0.5
257.13828	0.5
305.07001	0.5
337.09384	5.7
338.09424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0773
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01864	0.8
57.03431	0.7
59.01381	2.5
62.82960	0.4
68.99799	2.8
69.03463	0.6
69.87004	1.9
71.01382	3.1
72.99287	0.8
73.02934	1.2
75.00866	1.9
83.01376	1.5
85.02943	5.2
87.00869	2.5
89.02434	1.0
90.38198	0.4
95.01356	1.0
96.96003	0.8
97.02958	0.4
99.00870	5.3
101.02432	1.4
110.84972	0.5
111.00877	2.7
113.02445	6.5
113.99578	17.9
115.00384	6.1
127.00350	3.0
129.01947	2.2
139.00351	0.6
141.01933	0.4
157.01405	5.4
169.01384	1.1
174.01671	17.3
175.02318	1.9
192.13966	0.4
205.41937	0.4
205.63101	0.4
231.50238	0.4
250.71910	0.4
277.05609	18.3
278.05847	0.8
284.44977	0.5
337.07721	100.0
338.08069	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	337.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
57.03425	0.6
59.01384	7.6
68.99503	0.9
68.99870	2.9
69.03442	0.7
70.16421	1.8
70.16807	1.1
71.01375	5.4
72.99310	0.8
73.02921	2.0
75.00872	1.7
83.01383	1.9
85.02944	7.8
87.00864	2.8
89.02438	1.7
90.18740	0.5
95.01393	1.2
96.95968	0.6
97.02959	1.4
99.00867	4.8
101.02444	4.9
107.36336	0.5
110.98595	0.6
111.00877	2.3
112.98582	2.8
113.02441	8.2
113.99577	18.5
115.00395	7.0
115.03931	0.6
119.03480	0.7
127.00357	3.5
129.01933	2.7
139.00412	0.8
139.04007	0.6
141.01959	0.8
157.01402	5.5
161.04526	1.0
163.06133	0.8
166.67621	0.6
169.01402	1.8
174.01686	18.8
175.02417	2.6
175.06073	0.8
180.72266	0.6
183.03113	0.5
277.05618	19.8
278.06009	1.0
293.74234	0.6
319.06586	0.7
323.88733	0.5
337.07736	100.0
337.10953	4.2
338.08096	8.1
343.46054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.22
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
52.21059	0.4
59.01374	0.7
69.52853	3.2
87.10982	0.5
98.20588	0.9
106.03868	0.5
135.18457	0.4
135.21188	0.4
183.93442	0.4
239.20135	1.8
249.22333	0.5
259.16766	0.4
265.21646	0.7
267.23279	19.1
268.23621	1.7
285.18341	3.6
287.19937	3.2
288.20032	0.4
291.15826	1.0
291.23334	0.6
303.19675	0.5
307.22427	1.3
317.17233	1.5
317.20798	0.9
319.18842	7.4
321.20337	0.8
335.21985	100.0
336.22311	10.7
351.21570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	59.8
61.62151	2.8
61.98834	3.3
62.87901	2.8
70.08076	11.5
86.31002	3.3
99.00624	12.5
157.30336	3.5
177.79559	3.2
191.15483	3.2
208.53735	3.5
253.19160	7.0
253.21681	100.0
254.22046	8.8
299.25876	9.3
303.23474	3.7
335.22015	95.1
336.22321	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	336.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88116	0.6
57.03439	0.6
57.13066	0.5
59.01370	2.2
62.56189	0.5
63.63275	0.5
67.01884	1.0
67.19724	0.5
69.03475	0.6
69.65685	3.4
71.01366	1.3
83.01377	0.5
85.02940	2.0
87.00868	1.6
93.03452	7.3
96.95995	1.5
98.20592	1.2
99.00840	0.7
108.02164	6.4
111.04490	0.9
119.04981	3.7
122.74097	0.5
130.30257	0.5
138.01959	100.0
139.02330	3.8
149.06061	3.3
161.02400	1.2
163.04028	3.6
170.49910	0.7
173.04518	6.0
191.05591	35.5
219.02864	0.7
237.03975	1.1
335.20801	0.7
337.09143	1.9
355.13715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03226	2.1
59.01374	64.2
69.56783	14.4
71.01391	10.0
73.02932	4.3
75.50784	2.4
85.02940	7.0
89.02439	7.7
93.03445	4.9
96.95974	2.5
99.00878	3.2
101.02431	5.0
113.02426	4.4
113.99560	3.6
115.00307	2.7
119.03535	3.1
121.02959	5.8
129.09225	2.6
137.02370	3.0
139.03998	100.0
140.04311	5.8
146.01822	2.1
153.01880	3.3
161.04460	3.4
174.01584	6.1
175.09760	3.3
230.83572	2.3
265.70551	2.1
277.05710	5.5
301.09293	24.2
302.09671	2.8
335.02295	2.1
337.07733	28.1
337.14786	18.5
346.62051	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
57.03426	2.7
58.00583	2.8
59.01375	100.0
69.03445	1.4
70.19166	4.2
71.00984	2.0
71.01375	36.1
72.99290	2.9
73.02937	4.6
83.01382	4.0
84.04219	1.3
85.02945	13.5
87.00865	2.7
89.02428	30.3
93.03476	2.1
94.92097	1.4
95.01398	2.7
96.69399	1.3
96.70074	1.4
97.27611	1.3
99.00867	2.5
101.02435	25.2
111.08147	28.9
112.08509	1.3
113.02430	11.2
119.03473	11.3
137.02470	6.6
137.06096	1.6
138.05635	2.0
155.07144	34.9
161.04527	6.7
179.05612	2.2
185.08127	1.5
275.11346	12.9
300.11783	1.4
335.13437	93.5
336.13834	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	335.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37083	0.5
55.01870	1.1
57.03436	0.9
59.01085	0.9
59.01374	10.9
69.82945	2.8
71.01377	11.1
72.99287	1.1
73.02943	3.5
74.23410	0.4
82.46530	0.5
83.01372	2.4
85.02951	5.6
87.00877	1.8
87.04498	0.6
89.02424	1.7
94.71825	0.5
95.01397	0.9
96.96002	16.7
99.00899	0.9
100.22027	0.4
101.02429	6.6
111.00867	1.1
113.02411	2.8
119.03465	0.5
125.02462	0.7
127.11250	2.1
155.10693	0.9
159.02995	0.7
173.11810	35.1
174.12135	1.9
187.13387	1.0
208.43338	0.5
317.16040	2.9
335.12094	3.4
335.17075	100.0
336.11658	0.8
336.17410	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	335.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
56.12440	0.5
57.03442	4.8
58.00591	3.9
59.01373	66.1
60.42783	0.5
65.75009	0.5
67.51540	0.5
69.03458	0.9
70.85168	0.5
71.01375	100.0
71.04992	1.0
71.62786	0.6
72.01707	1.4
72.99300	4.9
73.02530	1.3
73.02940	25.7
75.00851	1.4
83.01379	10.6
85.02943	41.7
86.00058	0.6
86.03291	0.8
87.00870	3.6
89.02435	31.3
95.01372	7.7
96.96012	3.0
97.02959	2.9
97.03493	0.5
99.00875	11.4
101.02431	79.1
101.12344	0.5
102.02779	2.1
111.00906	1.1
113.02435	44.8
114.02782	1.3
119.03487	10.3
125.02419	2.9
127.11286	0.9
129.01906	1.3
131.03481	1.2
132.51506	0.5
143.03473	4.2
159.02980	8.6
161.04533	42.3
162.04854	1.9
173.15466	2.9
179.05518	0.9
205.03479	1.3
335.14984	1.2
335.20709	29.7
336.21225	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.6
57.03439	1.5
58.00586	1.9
59.01376	100.0
70.05127	6.1
71.01379	36.0
72.01715	1.5
72.99294	2.2
73.02943	3.6
75.04944	1.1
75.43913	1.2
83.01371	3.8
85.02938	10.9
87.00871	1.5
89.02439	31.6
89.42100	1.4
93.03419	3.1
95.01371	2.2
98.20647	1.8
101.02436	25.6
103.91576	1.2
111.08150	35.9
113.02423	12.4
119.03497	13.5
137.02428	5.7
137.06064	2.9
143.03513	2.5
155.07135	41.3
161.04527	4.5
179.05592	3.2
190.13028	1.3
241.98540	1.3
275.11224	7.3
335.13428	95.6
336.13763	8.5
344.19376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53594	0.2
61.49734	0.2
79.95737	1.5
96.96000	100.0
97.22475	0.2
265.55688	0.2
282.02704	0.2
335.11633	31.6
336.11932	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76385	0.4
57.03450	0.4
59.01374	1.8
62.66118	0.4
71.01382	0.9
71.63464	0.5
72.99296	0.7
79.95728	2.5
80.96487	0.4
83.01354	0.7
84.02174	0.5
85.02944	3.3
85.06598	0.5
96.96001	100.0
101.02445	0.5
109.06573	0.7
111.00878	1.0
112.85517	0.4
127.07650	1.6
128.35423	0.4
129.01935	1.1
133.02907	0.7
134.03723	0.5
177.01843	0.7
178.02678	0.5
237.14990	0.6
255.15891	2.0
275.09348	0.5
335.11646	41.8
336.11996	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	335.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48421	1.0
53.93927	1.0
57.03442	5.3
59.01379	6.4
61.98815	2.0
63.02397	1.3
65.00311	4.8
65.03970	1.9
67.01886	1.3
69.72905	1.8
69.73315	4.4
71.01366	3.4
72.81856	1.0
73.02934	2.7
81.03451	4.8
83.01389	11.4
83.05025	4.1
85.02945	5.1
89.02411	2.0
91.01915	1.2
93.03445	17.0
94.03788	1.4
95.01375	4.6
96.95998	3.5
98.20600	1.5
99.00816	1.4
101.02437	1.6
107.01415	6.0
107.05016	2.6
109.02945	28.8
110.03259	1.5
111.04530	6.4
111.08132	2.2
113.06072	1.5
121.02911	1.4
123.00882	1.7
123.04489	7.7
125.02434	18.5
133.02974	7.4
134.03708	4.4
135.00870	2.0
135.04518	100.0
136.04834	4.1
137.02440	12.5
139.00362	1.7
151.00362	23.1
151.03949	2.3
152.01065	1.7
153.01921	34.7
155.03511	2.8
159.04507	2.2
161.02440	23.8
163.00323	6.4
165.01900	11.6
167.03468	15.3
169.01425	1.8
173.04510	1.6
173.08165	2.0
175.03957	5.0
177.01877	3.7
178.99968	11.8
179.03474	86.4
180.03815	5.2
181.01411	20.1
183.04391	1.2
195.02963	8.3
199.04016	1.4
203.03462	1.8
205.05099	1.5
217.05017	1.3
227.03418	2.9
228.03609	1.2
229.04988	1.3
231.02919	3.5
243.02916	1.7
245.04471	4.1
255.03061	2.6
273.04083	9.1
273.12485	1.6
289.03183	1.5
291.04910	1.4
317.02997	26.5
318.03265	2.4
335.03967	28.4
335.07706	28.4
335.12021	1.7
335.20682	24.3
336.04254	3.0
336.08063	3.3
336.21042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
57.03429	1.2
58.04106	0.6
59.01379	7.4
61.98811	1.4
64.37813	0.6
69.65924	1.6
69.66345	3.2
70.56004	0.7
71.01382	8.4
73.02939	6.0
75.21796	0.6
80.05055	4.8
81.03404	0.9
83.01382	2.1
85.02948	5.3
87.00880	0.7
92.05047	3.0
94.06619	4.4
95.01396	1.2
96.96017	0.9
97.41672	0.7
99.00865	1.7
101.02438	7.4
104.05045	2.9
105.03434	2.2
106.06622	12.8
107.03774	1.1
108.04549	1.1
111.00856	0.9
113.02437	3.9
113.47589	0.6
120.04536	4.7
120.99639	2.8
121.05324	1.0
122.04758	0.7
122.06112	17.2
123.03269	1.8
124.04058	1.1
125.02412	1.8
131.03729	0.8
132.04527	6.9
136.03995	1.0
138.05600	21.6
139.05975	1.1
150.05545	3.7
151.57423	0.8
152.07159	2.1
161.04555	2.5
166.05092	0.8
174.12773	0.7
189.07890	2.2
198.07869	0.7
215.11685	0.7
217.07368	2.1
223.04628	0.7
241.09805	3.2
243.11278	2.4
252.36737	0.8
271.10818	0.9
289.11899	100.0
290.12177	9.9
291.17920	0.8
333.07050	1.0
333.10800	10.8
333.15375	14.0
333.19257	3.0
334.11127	1.3
334.15640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.0
61.60870	0.4
61.98826	100.0
62.98557	0.5
63.53225	0.4
68.19223	0.5
71.01378	7.1
71.05020	0.8
71.61955	0.9
72.72388	0.5
72.99331	1.3
73.02956	1.4
75.08553	0.5
81.68927	0.5
83.01387	1.4
84.78886	0.5
85.02955	3.3
87.00848	0.8
89.02431	4.1
93.03484	0.5
95.01395	0.8
95.30185	0.5
96.96035	0.8
99.00880	0.6
100.72644	0.5
101.02441	5.0
109.02943	0.9
111.08160	0.7
112.04038	0.8
113.02441	2.4
119.03490	1.8
120.99639	2.3
122.06120	0.8
125.02480	1.3
130.02362	0.5
131.03578	0.5
136.04065	0.7
137.02461	1.3
148.41556	0.5
155.07117	1.1
161.04498	2.7
173.08200	1.7
177.02005	1.3
215.70088	0.5
218.52885	0.5
246.13141	1.0
252.20345	0.6
290.12375	0.7
335.13452	6.9
335.17215	2.7
335.20691	0.8
348.22263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21844	0.7
55.23451	0.7
57.03448	6.0
59.01362	2.4
61.98831	6.7
63.02391	5.0
64.67205	0.7
65.00319	7.3
65.03948	0.8
67.01879	1.9
67.52501	0.6
71.01363	1.1
81.03426	0.9
83.01388	9.9
84.55704	0.6
85.02980	0.9
85.95578	0.6
91.01868	0.7
93.03458	4.1
94.25969	0.7
95.01375	1.9
96.96000	1.1
107.01383	6.8
107.05031	2.2
108.14061	0.7
109.02937	6.4
117.03465	1.7
119.05014	1.1
120.99654	1.0
121.02932	1.5
121.06652	0.6
122.06155	0.9
123.04543	1.2
124.01623	1.1
125.02437	23.7
126.02829	0.8
131.05005	3.4
133.02948	4.0
135.00882	1.0
135.04509	10.2
137.02438	9.3
143.05006	1.8
145.06581	1.2
147.04482	2.1
149.02393	2.3
149.06042	0.7
151.00351	12.6
151.03943	1.0
157.02959	1.0
157.06560	1.0
159.04475	5.1
160.04987	0.8
161.02435	2.3
161.05975	0.8
163.00311	2.6
165.01920	2.2
171.04509	2.7
173.02444	1.1
173.06068	2.7
174.03168	0.8
175.03973	7.7
177.01952	3.9
177.05600	3.8
178.99820	2.4
179.03479	1.2
183.04500	3.6
185.02420	1.0
187.03973	2.3
189.05542	1.8
191.03432	0.9
199.04002	4.2
201.01897	1.7
201.05557	1.6
203.03447	4.8
214.02661	1.8
215.03532	5.8
216.03905	0.8
217.05005	2.9
219.03081	0.9
224.89317	0.7
227.03455	6.1
229.01434	1.3
230.02191	2.1
233.04443	1.3
243.03014	3.6
245.04535	2.6
261.04050	1.2
271.02429	4.2
271.10913	2.3
289.03510	100.0
290.03806	9.4
291.18073	0.8
297.08893	0.9
323.04282	0.8
323.43405	0.7
333.02487	7.3
333.10242	0.8
333.15555	1.0
333.18921	3.7
334.02805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76176	0.5
59.08265	0.4
62.18185	0.4
69.76799	2.6
78.03457	0.8
80.05042	0.7
81.03433	0.4
90.52462	0.4
92.05042	2.1
94.06615	3.6
96.95985	0.6
98.76912	0.5
104.05058	2.6
105.03470	2.2
106.06621	12.0
107.03792	0.5
108.04542	1.5
117.34599	0.4
120.04551	5.9
121.05321	1.7
122.02402	0.5
122.06107	15.8
123.03258	1.6
124.07670	1.2
131.03751	1.1
132.04538	8.4
135.03242	0.7
136.04028	1.3
138.05597	22.8
139.05911	1.3
144.96533	0.4
148.04045	1.0
150.05589	2.9
157.67477	0.5
174.12917	0.9
188.07175	0.6
189.07903	1.5
189.55441	0.5
215.11880	1.7
217.07420	1.6
229.09857	0.8
231.06467	0.5
231.08910	0.6
231.11264	1.0
241.09769	2.9
243.11333	1.2
259.10870	1.0
278.15161	0.4
289.11902	100.0
290.12225	10.8
333.10843	10.6
334.11224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10896	0.7
51.64787	0.7
59.01367	1.6
61.98825	100.0
62.99922	0.6
76.65115	0.8
77.50030	0.9
117.03411	1.0
118.47736	0.7
120.99661	0.9
213.18452	0.7
269.04572	5.3
333.13705	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	14.7
59.01381	53.1
60.60896	4.3
61.98840	9.3
63.02400	5.1
65.00322	16.2
68.20422	4.0
69.50671	13.1
69.51096	20.9
71.01369	11.9
72.09373	4.3
81.03431	14.0
83.01420	19.7
85.02924	8.4
85.16422	4.3
86.84281	4.5
87.00880	6.0
89.04027	5.5
93.03452	26.3
95.01390	6.8
96.96002	4.8
101.02460	5.8
105.03447	6.7
107.01377	15.3
107.04988	10.2
108.02127	4.6
109.02930	33.5
120.99647	10.4
124.01619	12.3
125.02452	89.1
127.07631	10.4
131.05048	8.0
133.02942	5.4
135.04512	9.6
137.02438	90.2
138.02852	5.9
147.04535	7.6
149.02383	5.7
151.00377	60.2
151.03986	12.1
152.01170	24.2
154.63235	5.0
159.04520	10.8
161.02501	5.7
165.05513	9.6
171.06613	7.5
173.06108	8.6
174.03156	7.1
175.03964	18.6
177.01831	7.5
177.05493	5.8
178.99843	36.3
179.03494	7.9
183.04602	5.3
187.03807	5.0
189.05565	12.2
193.05054	9.0
201.05515	8.2
203.03497	12.1
205.01355	13.2
216.04240	8.4
217.05092	41.1
221.04501	37.6
227.03525	22.1
245.04535	100.0
246.04805	8.5
247.02408	59.7
248.02623	6.8
261.04059	11.0
271.10828	10.0
289.03482	84.8
289.12094	5.5
290.04025	10.1
333.06277	5.5
333.10413	9.9
333.15378	9.7
333.19107	66.0
333.22827	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	331.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23150	0.7
55.01872	5.2
57.03446	6.4
58.00580	3.0
59.01374	65.0
60.01727	0.9
65.46751	0.7
69.03443	1.1
69.85275	0.8
71.01376	100.0
71.62962	0.9
71.82868	0.7
72.01701	2.0
72.99303	4.8
73.02940	30.0
75.00871	1.5
83.01373	13.1
83.05029	1.5
85.02941	41.5
86.00079	1.9
86.03313	0.8
87.00864	13.7
89.02435	32.2
95.01384	7.6
96.95990	1.0
97.02966	1.8
99.00867	13.0
101.02433	69.0
102.02749	1.7
113.02437	43.6
114.02743	1.3
119.03478	13.9
125.02433	2.4
129.01950	1.8
131.03496	18.9
143.03484	4.2
149.04451	0.9
151.11287	4.1
159.02995	8.8
161.04536	46.5
162.04861	2.2
179.05623	1.4
205.03551	1.2
221.06638	24.3
259.19159	2.8
331.12027	2.0
331.17987	4.0
331.21378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.6
57.03448	4.1
58.00586	3.4
59.01374	100.0
60.01711	1.3
69.03445	1.7
70.89978	1.2
71.01376	82.0
71.05007	1.0
72.01740	0.9
72.99300	5.8
73.02937	10.4
83.01378	5.4
85.02942	23.4
87.00871	3.5
89.02435	75.5
90.02769	1.8
95.01414	4.4
96.96036	1.6
98.20547	0.9
99.00851	4.9
101.02432	50.6
102.02792	1.2
102.37517	0.7
102.98597	2.0
104.98190	0.8
113.02438	33.3
114.13326	0.7
119.03488	31.9
120.03805	1.1
123.08138	1.6
125.02444	4.7
127.00379	4.2
129.01945	1.0
131.03506	2.8
139.11217	1.0
143.03464	3.4
147.02972	2.2
149.02403	3.5
149.04459	1.2
149.99579	1.7
157.01431	1.0
161.04561	7.9
162.76039	0.7
168.00607	3.6
169.12407	1.4
171.08418	1.0
177.58870	0.8
179.05592	3.5
183.08620	1.5
183.10233	4.0
198.83357	0.7
201.09459	4.7
287.10233	1.1
331.06912	5.7
331.13516	2.4
331.17712	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.2
57.03445	4.8
58.00579	3.4
59.01374	78.0
60.01702	1.1
63.22040	0.5
71.01376	100.0
71.05015	1.4
71.62765	0.8
72.01710	1.0
72.99300	4.6
73.02937	22.5
75.00853	1.1
81.03406	0.9
83.01377	10.5
85.02941	37.0
86.03265	1.0
87.00869	4.9
89.02431	44.0
90.02787	0.6
95.01376	8.8
96.01673	0.5
96.95993	1.3
97.02927	1.7
99.00873	9.8
99.44871	0.6
101.02431	68.0
102.02744	2.2
113.02436	41.1
114.02729	1.3
119.03488	16.7
120.99641	2.7
124.01669	0.8
125.02410	2.9
129.01921	1.6
131.03436	2.0
143.03465	5.2
149.04453	1.3
149.99518	0.7
159.02942	7.6
161.04538	30.1
162.04817	1.4
168.00586	1.2
169.12231	1.6
179.01543	0.6
179.05586	2.8
187.06078	0.6
199.11469	1.3
201.09406	1.4
205.03459	1.2
243.10373	1.8
275.60641	0.6
294.01059	0.6
331.02734	1.0
331.06552	1.3
331.11755	2.3
331.17560	12.1
332.17615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.3
57.03446	5.3
58.00581	3.5
58.99591	2.8
59.01372	52.8
67.12637	1.5
69.68123	9.7
71.01376	67.8
72.99313	7.7
73.02936	18.0
83.01373	7.9
84.02139	2.0
85.02940	41.2
85.54623	1.3
87.00872	20.7
89.02430	26.4
95.01377	5.0
97.02925	2.1
99.00863	8.9
101.02431	54.6
101.04296	6.3
102.98584	5.4
108.02164	1.9
113.02437	22.8
115.92062	4.6
116.92843	6.2
119.03481	7.6
120.99639	67.5
125.02426	4.2
129.01906	3.2
143.03488	3.7
147.11784	2.7
158.93823	2.2
159.02992	4.9
159.24403	1.7
161.04538	25.8
167.10736	3.2
167.65651	1.5
168.00671	2.0
169.10641	1.7
169.12279	2.0
170.11134	1.4
190.00958	4.7
191.01942	2.4
192.00397	3.1
199.11572	18.6
201.09523	5.7
205.03290	1.9
209.11800	19.5
225.10161	1.9
243.10573	36.6
244.10892	3.9
249.02213	2.8
330.97427	4.1
331.12170	100.0
331.17523	20.0
331.21011	3.5
332.12454	10.8
332.17975	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	331.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.6
57.03448	4.1
58.00586	3.4
59.01374	100.0
60.01711	1.3
69.03445	1.7
70.89978	1.2
71.01376	82.0
71.05007	1.0
72.01740	0.9
72.99300	5.8
73.02937	10.4
83.01378	5.4
85.02942	23.4
87.00871	3.5
89.02435	75.5
90.02769	1.8
95.01414	4.4
96.96036	1.6
98.20547	0.9
99.00851	4.9
101.02432	50.6
102.02792	1.2
102.37517	0.7
102.98597	2.0
104.98190	0.8
113.02438	33.3
114.13326	0.7
119.03488	31.9
120.03805	1.1
123.08138	1.6
125.02444	4.7
127.00379	4.2
129.01945	1.0
131.03506	2.8
139.11217	1.0
143.03464	3.4
147.02972	2.2
149.02403	3.5
149.04459	1.2
149.99579	1.7
157.01431	1.0
161.04561	7.9
162.76039	0.7
168.00607	3.6
169.12407	1.4
171.08418	1.0
177.58870	0.8
179.05592	3.5
183.08620	1.5
183.10233	4.0
198.83357	0.7
201.09459	4.7
287.10233	1.1
331.06912	5.7
331.13516	2.4
331.17712	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29165	1.3
56.98018	3.8
57.03439	1.7
58.99594	17.8
59.01378	10.8
63.96228	5.8
71.01377	8.8
71.63463	1.4
72.99277	1.4
73.02911	1.5
74.99095	10.4
83.20043	1.1
85.02955	10.6
87.00865	6.0
87.37828	1.2
89.02444	4.2
93.03459	1.6
96.96008	3.5
101.02440	5.2
102.98583	100.0
111.08118	3.1
112.83955	1.3
113.02430	3.3
119.03503	1.4
120.99651	4.0
125.02431	1.3
137.09694	4.4
161.04556	2.9
163.00731	3.3
165.07278	1.6
170.68375	1.4
183.08405	2.7
191.01968	1.6
201.09515	95.3
202.09833	5.6
225.09138	2.7
252.16623	1.3
264.03204	1.3
269.08017	1.3
271.10010	27.1
287.09238	2.1
289.11154	8.9
301.10425	1.3
331.07956	4.0
331.12100	7.3
331.17712	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29165	1.3
56.98018	3.8
57.03439	1.7
58.99594	17.8
59.01378	10.8
63.96228	5.8
71.01377	8.8
71.63463	1.4
72.99277	1.4
73.02911	1.5
74.99095	10.4
83.20043	1.1
85.02955	10.6
87.00865	6.0
87.37828	1.2
89.02444	4.2
93.03459	1.6
96.96008	3.5
101.02440	5.2
102.98583	100.0
111.08118	3.1
112.83955	1.3
113.02430	3.3
119.03503	1.4
120.99651	4.0
125.02431	1.3
137.09694	4.4
161.04556	2.9
163.00731	3.3
165.07278	1.6
170.68375	1.4
183.08405	2.7
191.01968	1.6
201.09515	95.3
202.09833	5.6
225.09138	2.7
252.16623	1.3
264.03204	1.3
269.08017	1.3
271.10010	27.1
287.09238	2.1
289.11154	8.9
301.10425	1.3
331.07956	4.0
331.12100	7.3
331.17712	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.0
57.03449	5.9
58.00579	3.0
58.99566	2.1
59.01375	56.9
69.03473	1.3
70.41749	0.8
70.44531	3.2
71.01376	100.0
72.01685	2.1
72.33593	0.9
72.99318	4.6
73.02937	28.3
74.99082	2.3
75.00868	1.1
81.03465	1.2
83.01372	11.7
85.02945	44.1
87.00866	10.8
87.04512	1.0
89.00646	2.2
89.02437	30.7
95.01373	8.4
97.02942	2.8
97.06589	1.5
99.00871	10.5
99.02728	1.0
101.02436	68.8
102.02760	1.3
102.98603	2.4
109.02911	1.6
111.00817	1.5
111.08150	5.1
113.02439	41.0
114.02792	1.3
119.03493	10.5
119.73582	0.8
120.99641	26.8
125.02450	4.4
129.01930	1.4
129.03773	3.3
131.03477	1.8
131.05247	1.2
135.04495	8.8
135.11752	3.2
137.73233	1.0
143.03494	5.1
144.44553	1.1
147.11772	1.0
151.00330	2.0
151.11247	1.1
153.01985	1.3
159.02977	9.2
161.04535	43.1
162.04903	2.1
179.03458	11.4
179.05556	2.7
180.03821	1.7
183.08463	4.1
199.11591	24.6
201.09520	12.6
205.03343	1.4
209.11852	8.3
225.09454	1.2
243.10515	7.8
244.04692	3.5
260.05243	1.0
260.40604	0.9
271.10120	5.4
271.15356	1.0
287.13132	2.5
289.11133	1.9
331.12149	48.6
331.17532	20.2
331.21155	3.5
332.12521	5.2
332.17667	2.0
332.21677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35499	1.0
57.03427	1.9
59.01089	1.7
59.01372	26.7
64.61549	1.0
69.03456	1.4
71.01371	15.3
71.61028	1.5
71.61399	1.2
72.99300	1.3
73.02931	3.1
83.01374	3.8
83.87836	1.0
84.56961	1.0
85.02939	6.5
86.71728	1.1
87.00866	1.6
89.02395	2.2
95.01366	3.1
97.02923	1.6
97.61630	1.2
99.00872	2.7
101.02445	7.4
107.01353	1.4
108.02168	100.0
109.02998	15.8
110.02470	2.2
113.02448	7.8
120.62411	1.1
121.02941	2.1
123.00827	2.2
123.04493	2.9
124.01653	5.9
125.02444	29.1
132.98225	1.5
133.05067	19.1
143.03477	1.3
149.99567	9.6
150.05618	1.4
151.00319	4.0
151.04019	8.7
151.05916	1.5
152.01099	1.3
153.01891	7.0
159.02959	2.4
161.03220	1.4
161.04546	24.5
163.03964	1.9
167.03445	2.0
168.00621	19.6
168.04254	3.1
169.01404	10.5
173.01138	1.0
174.99222	3.0
177.53192	1.1
203.69710	1.2
212.12376	1.2
226.98512	1.9
270.97705	1.9
271.08203	15.5
313.05637	3.9
313.11279	2.3
331.06653	42.3
332.06949	3.5
342.56894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21668	8.6
59.01371	100.0
69.60403	7.7
69.95363	30.1
71.01368	58.7
85.02957	13.1
87.00862	11.2
89.02460	23.9
95.01355	10.5
95.62807	7.7
96.96033	10.1
101.02445	45.3
113.02426	22.2
120.99649	57.0
125.02357	10.4
135.04504	10.0
151.00311	15.4
161.04590	10.9
177.77539	8.4
199.11606	18.8
201.09570	15.3
209.11761	9.5
210.29347	8.8
227.15694	10.9
243.10675	8.2
292.30447	8.8
292.33682	8.5
324.88065	8.9
331.08105	16.1
331.12030	93.0
332.12744	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1031
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01340	0.6
61.92358	0.4
68.23764	0.4
70.62205	0.9
70.62576	0.7
71.01371	1.5
73.02926	0.5
76.76163	0.4
82.00599	0.7
83.01382	1.3
85.02943	2.9
87.07448	0.4
97.95504	0.6
101.02431	0.9
110.00083	7.0
113.02471	2.5
123.00920	0.7
123.04550	0.5
124.01649	2.1
125.02431	10.0
130.69957	0.3
131.03525	0.6
137.99574	8.9
138.03244	0.4
139.00424	2.2
140.01118	0.7
149.99586	1.2
151.00374	1.1
152.01152	2.6
153.01918	100.0
154.02368	5.7
155.03514	2.7
161.04538	1.5
164.01039	0.4
166.02664	0.9
167.03464	11.7
168.00615	3.9
168.04254	51.7
169.01425	2.2
169.05037	11.1
171.12729	0.3
179.03484	0.8
181.05016	0.8
191.03461	1.3
196.03658	0.6
209.04610	1.0
210.04852	0.4
211.06029	1.0
221.04582	0.8
239.05621	0.6
253.17111	0.4
331.06653	6.0
331.10358	4.6
332.10602	0.5
351.48636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0667
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
60.95903	0.8
66.64173	0.7
67.75111	0.7
69.03441	3.0
70.44102	2.3
72.86494	0.7
74.99068	0.8
78.29858	0.6
79.01877	1.6
81.03471	1.3
83.01364	1.3
92.07995	0.6
95.01358	1.0
95.30145	0.8
97.02943	2.4
107.01392	1.9
108.90680	0.8
119.03489	0.9
123.00864	3.2
124.01662	15.7
125.02432	62.8
126.02753	1.8
138.79617	0.9
149.99562	28.5
151.00340	3.6
167.03531	1.2
168.00616	65.1
169.01334	7.1
179.05592	1.0
313.05600	7.6
314.06015	0.8
331.06650	100.0
332.07004	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0667
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03439	1.1
69.99908	2.4
74.99114	0.6
79.01860	1.0
81.03421	0.8
83.01389	0.9
83.09982	0.5
85.50941	0.5
88.74234	0.6
95.01367	0.7
97.02929	1.4
98.20516	0.8
107.01373	1.8
109.02924	0.5
120.18365	0.5
123.00866	2.9
124.01654	9.0
125.02439	41.7
126.02772	1.6
136.99136	0.8
146.80359	0.5
149.99565	19.3
151.00378	1.0
167.03502	1.1
168.00626	52.4
169.01361	4.9
218.57736	0.6
228.55014	0.6
313.05618	6.1
314.05975	0.7
331.06665	100.0
332.06961	6.6
346.92673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0821
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
51.68412	0.8
58.75859	0.9
59.01374	8.7
67.74905	0.9
70.06615	4.3
71.01369	8.2
72.99303	29.4
73.02934	2.4
74.99094	2.1
83.01374	1.2
85.02959	4.8
87.00894	1.4
89.02442	1.7
93.03433	5.3
99.00853	1.3
101.02428	4.7
107.05056	5.3
108.02125	1.0
113.02438	2.6
121.02945	1.2
122.06089	2.3
125.02406	1.0
132.04567	1.9
137.09708	2.8
143.03461	1.0
148.04083	0.9
149.99452	1.0
161.02469	1.2
161.04555	3.7
174.05630	1.5
181.06607	5.1
181.08023	0.9
183.08423	1.4
184.07545	2.1
195.08121	2.7
197.06094	2.1
199.03868	1.4
199.07603	10.5
201.09544	9.8
202.08714	3.8
207.08127	40.5
208.08414	3.6
211.07605	1.9
212.08409	3.9
213.09207	6.9
214.09737	1.0
216.06607	1.1
223.07579	11.0
223.09273	0.9
225.09180	77.8
226.09482	6.5
227.03535	1.0
227.08083	1.1
228.06714	1.0
240.07907	2.2
241.08643	26.4
242.09081	3.3
243.11394	4.3
244.07364	3.2
251.07182	7.2
252.07484	1.2
255.02693	0.9
269.05215	2.2
269.08151	41.3
269.12952	3.7
270.05542	2.0
270.08524	3.9
271.05869	1.2
271.10025	5.7
285.07642	6.7
286.08328	1.0
287.09210	100.0
288.09503	12.0
289.11151	1.6
295.06345	1.0
300.09949	6.4
301.10608	1.3
313.07144	4.0
313.10413	0.9
331.08228	84.3
331.11850	3.8
331.17477	2.2
332.08304	14.9
334.36285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2328
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
56.15343	0.5
56.73637	0.4
59.01131	0.6
59.01377	6.9
71.41984	1.0
86.81448	0.5
125.32127	0.4
182.00291	0.5
182.01903	0.5
183.76389	0.4
237.22086	0.5
239.23793	0.8
249.22206	5.1
257.47934	0.5
265.21616	0.9
267.23251	22.6
268.23581	2.6
276.06122	0.5
283.22754	31.6
284.23029	3.6
293.21057	1.1
311.22321	2.8
329.23282	100.0
330.23575	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	329.2329
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
54.85893	0.6
57.03439	0.8
59.01374	0.9
67.23048	0.6
71.39248	0.8
71.39580	1.2
83.05022	0.7
99.08157	6.1
125.09718	2.0
127.11256	3.7
127.66427	0.7
129.71861	0.6
139.11281	5.6
151.36980	0.6
155.14336	1.0
157.12378	0.8
163.06789	0.6
167.14421	1.3
171.10245	14.5
183.13889	3.8
186.95810	0.6
189.66884	0.7
193.12312	1.5
198.55681	0.7
199.07141	0.8
199.13408	0.9
209.11792	1.6
211.13364	25.6
211.15382	1.3
212.13773	1.8
229.14401	13.8
242.66608	0.5
311.22159	0.7
329.23285	100.0
330.23654	13.0
338.95334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.233
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03449	1.2
59.01372	69.2
61.98812	1.3
70.83121	3.3
71.01358	2.9
75.00875	12.2
96.95996	2.1
101.02414	1.2
135.08084	1.4
171.10182	1.5
181.54021	1.2
207.10004	3.4
209.19019	3.0
215.64131	1.1
249.22249	4.5
253.18062	1.9
267.23282	32.0
268.23575	3.3
269.10214	1.7
269.21179	76.7
270.21564	7.6
271.19162	5.8
311.22250	13.3
329.23282	100.0
330.23615	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	329.2693
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
59.01373	13.8
71.01379	0.5
77.95292	0.5
78.95894	1.1
98.19838	1.2
120.65110	0.5
152.99597	1.3
158.55725	0.5
161.04573	0.8
229.80875	0.7
251.23807	0.6
253.25323	12.1
254.25781	1.2
273.19226	0.5
277.21729	0.6
281.24805	7.6
282.25232	0.8
283.26401	20.1
284.26743	1.7
308.02887	0.5
329.26923	100.0
330.27277	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	330.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11323	0.7
57.03432	0.8
58.00583	1.0
59.01376	100.0
60.01711	11.3
61.01802	1.0
71.01374	25.9
71.62745	1.1
72.01740	1.1
72.99310	1.3
73.02941	1.7
83.01385	1.0
85.02953	7.0
87.00886	0.7
89.02437	23.8
90.02830	0.9
95.01363	1.3
101.02431	13.4
102.02825	0.9
105.21227	0.7
107.51604	0.9
113.02435	7.7
114.02763	1.0
119.03490	9.1
125.02450	1.5
131.03506	1.1
132.85289	0.7
138.01949	2.6
143.03523	1.9
149.04538	1.0
151.02776	1.0
152.03532	6.8
161.04552	3.0
162.04852	1.0
166.01428	2.8
167.03459	0.8
168.02992	27.2
169.03294	1.1
179.05585	2.2
180.02937	1.0
192.02994	1.0
209.52452	0.7
210.04018	6.0
222.04054	2.7
240.05135	1.8
270.06122	1.5
270.10434	3.5
330.08276	38.6
330.12521	2.7
331.08945	4.6
340.57678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19418	1.7
57.03439	3.5
59.01371	61.3
61.83482	1.8
64.08913	1.6
67.15491	2.1
67.15861	1.9
67.34912	1.8
69.89746	8.1
71.01365	2.4
99.08131	3.4
101.02451	2.5
127.11275	2.9
139.11311	2.1
161.04572	2.9
171.10217	10.5
211.13371	4.4
221.19022	13.3
239.20088	3.2
249.22282	2.0
257.21191	100.0
258.21454	10.3
265.18121	10.3
283.19116	14.2
301.20181	14.9
311.21841	2.4
329.15533	3.7
329.19598	24.3
329.23212	33.4
330.23538	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	329.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42339	0.4
59.01376	100.0
59.73363	0.5
60.01712	0.8
67.16386	0.5
69.33039	1.0
69.33445	3.0
71.01391	1.7
85.02944	0.6
86.09590	0.4
99.04505	0.8
101.02435	0.8
102.81345	0.5
120.99657	0.6
149.09610	0.5
165.12816	0.8
166.09656	0.5
193.11259	0.5
197.11853	0.5
207.13945	1.1
209.11812	1.9
225.14938	74.3
226.15247	6.7
251.12811	0.7
269.13889	14.9
269.16772	0.9
270.14169	1.6
285.04053	1.0
287.14963	1.0
314.04129	0.6
318.83157	0.5
321.69431	0.5
329.02939	0.7
329.16107	6.7
329.19714	0.7
330.16455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
56.98032	1.1
58.99605	1.0
59.01376	100.0
59.43781	0.6
60.01682	1.0
66.88585	0.9
69.71123	2.6
69.71545	2.3
71.01379	11.0
72.99307	0.8
73.02937	2.8
74.99115	1.1
83.01371	1.6
85.02952	5.2
87.00867	0.9
89.02421	1.4
99.00842	1.3
101.02438	6.2
102.98590	5.3
107.04358	1.1
107.05016	11.2
113.02423	5.2
114.26759	0.8
118.98067	1.0
139.87468	0.8
153.09196	0.9
159.03003	1.4
161.04544	14.8
167.03537	4.3
209.04445	1.1
249.04044	1.2
269.10260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.114
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
56.94082	0.7
59.01359	4.3
61.97296	0.7
63.79998	0.7
70.24625	1.3
70.24982	2.8
75.39869	0.7
75.73721	0.7
82.02982	8.6
89.68603	0.7
102.98569	0.8
106.06618	9.2
108.04533	1.7
110.02486	1.1
113.80907	0.7
115.74262	0.7
118.45770	0.7
120.66579	0.6
122.06105	1.7
132.04527	22.0
133.05348	4.7
134.06113	35.8
135.06439	1.5
136.04019	2.6
142.94432	0.7
148.03976	1.3
149.04788	1.6
159.95770	0.9
160.04013	18.6
161.04802	39.6
162.05588	82.5
163.05946	4.2
173.04715	0.9
176.03479	3.0
193.03778	46.9
194.04198	2.9
212.07127	5.9
213.07863	1.6
214.08797	4.6
226.08690	2.4
240.10234	1.1
241.06195	6.3
242.06715	1.2
242.11934	3.9
243.11299	4.1
245.96028	0.8
255.07648	1.6
257.09302	9.4
268.09738	2.9
269.09204	5.2
285.12415	66.1
286.12729	5.2
287.15198	0.9
311.10266	9.3
312.10754	0.9
329.11380	100.0
330.11673	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20927	0.3
55.81240	0.3
57.03439	0.5
59.01373	100.0
60.01712	1.0
63.96241	0.4
69.67220	1.7
71.01373	6.3
72.99311	0.5
73.02942	1.3
76.85919	0.4
83.01388	0.9
85.02931	2.3
89.02451	1.2
92.68403	0.4
93.27298	0.3
98.20592	0.7
98.87351	0.4
99.00865	0.5
101.02441	3.4
103.17142	0.3
113.02438	2.5
117.97334	0.5
119.03493	0.5
125.65556	0.4
129.01912	0.5
135.98361	0.9
159.02893	0.4
161.04530	3.0
168.03035	1.1
196.92566	0.3
269.10214	4.4
329.12451	2.0
330.08548	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.26331	0.4
59.01369	0.9
63.53701	0.5
70.00798	0.7
70.01189	1.1
71.01373	1.2
72.66849	0.4
85.02962	1.0
87.29583	0.4
92.89220	0.4
95.01398	0.5
106.56927	0.4
108.02168	58.7
109.02467	2.0
109.58202	0.4
119.48532	0.4
123.04515	25.1
124.04869	1.3
152.01144	39.9
153.01485	1.6
154.59378	0.4
167.03482	100.0
168.03818	4.6
169.01390	0.5
172.25632	0.4
261.56708	0.5
329.08737	1.1
338.35693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0874
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.03616	0.2
57.03443	0.6
59.01369	1.0
62.17059	0.2
65.00316	0.7
69.55154	1.5
78.17238	0.2
81.03452	4.5
83.01377	2.6
92.48318	0.2
95.05016	0.8
101.02391	0.3
102.98592	0.3
107.01379	0.7
109.02952	0.2
120.99633	1.6
121.02971	0.2
123.04512	30.0
124.04873	1.4
125.02442	5.5
126.53967	0.2
134.77744	0.2
139.03949	0.3
149.02412	0.6
151.00374	1.7
163.03900	0.3
166.02748	0.3
167.03474	100.0
168.03821	5.0
174.24721	0.2
177.01891	0.3
191.03502	0.7
209.04561	0.7
329.08765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0874
Annotation	32142-31-7
Peak:m/z	Relative Intensity
52.44197	0.6
53.38348	0.5
54.79361	0.6
58.99591	2.1
59.01369	3.7
62.95646	0.5
62.97984	0.5
71.01368	1.1
71.38907	1.2
78.45525	0.6
81.03463	4.4
83.01369	2.4
85.02962	0.5
89.02489	0.7
95.05059	0.7
97.02953	0.7
102.98596	15.9
123.04514	35.4
124.04858	1.6
125.02428	3.6
129.07149	0.5
137.02463	1.5
139.03940	0.8
149.02466	1.2
151.00374	1.0
151.03973	0.6
163.00664	0.8
163.03983	1.6
167.03477	100.0
168.03853	4.5
175.00325	1.0
179.03505	1.3
181.05002	2.9
191.03477	25.5
192.03851	1.6
207.92662	0.5
209.04543	9.6
210.04950	0.7
221.04477	2.9
227.90532	0.6
329.08655	4.8
330.09085	0.7
340.47284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2899
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01372	100.0
60.01701	1.3
70.36613	2.0
71.95660	0.5
75.00806	0.7
78.56925	0.6
88.84628	0.6
94.22746	0.5
99.26408	0.6
149.67334	0.6
185.00716	1.2
189.92500	0.7
264.01788	0.6
327.18204	1.9
327.28986	93.1
328.29285	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	329.021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	46.1
61.98790	0.6
64.23280	0.7
71.61092	0.7
89.41357	0.6
106.64642	0.7
115.02477	1.8
117.00426	5.7
122.99060	0.6
125.00948	0.7
126.98821	1.0
143.02003	3.1
157.03526	0.9
159.01479	64.1
160.01633	5.2
168.99919	2.8
170.88321	1.4
170.97835	8.1
171.01555	0.7
171.97913	0.8
174.79890	0.7
178.94998	0.7
187.00958	100.0
188.00461	15.9
190.64684	0.7
201.02512	15.5
216.15359	0.7
232.98207	1.4
257.86151	0.7
259.01471	1.0
269.10202	0.7
274.99359	3.9
311.00928	1.1
328.96735	2.3
329.02264	3.7
330.02097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01374	1.5
65.00327	0.4
71.01382	0.3
71.28388	0.5
72.33733	0.2
81.03448	4.3
83.01366	2.2
85.02947	0.6
95.05026	0.6
98.51105	0.2
99.04530	0.3
101.02428	0.3
107.01387	0.6
108.02140	0.3
118.02833	0.3
120.99652	0.4
121.03005	0.3
123.04514	27.3
124.04816	1.2
125.02437	5.1
131.07161	0.5
137.02440	0.2
138.02953	0.2
139.04034	0.4
142.26495	0.3
149.02422	0.7
151.00357	1.5
153.01982	0.3
163.03996	0.5
166.02679	0.5
167.03479	100.0
168.03819	4.4
182.27257	0.2
191.03477	0.8
191.05475	0.3
209.04506	0.9
220.75113	0.2
329.08780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2536
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
57.03459	0.5
58.46056	0.3
59.01372	0.8
61.95961	0.3
63.58510	0.3
68.33617	0.3
70.76500	0.7
70.76864	0.9
72.68143	0.4
85.02923	0.5
99.44353	0.4
102.43299	0.4
111.99400	0.4
185.00789	0.7
197.31134	0.4
219.90503	0.3
237.22295	0.5
263.23767	0.9
265.25330	65.2
266.25665	8.4
267.10947	0.4
283.26416	1.9
309.24304	21.3
310.24646	2.3
327.25354	100.0
328.19495	0.5
328.25684	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	327.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.2
68.83159	1.3
71.21750	1.6
71.22095	2.2
76.72173	1.1
81.03455	1.4
81.24583	1.4
83.05041	5.3
84.72281	1.4
93.76156	1.1
98.52388	1.3
105.46349	1.4
123.76883	1.3
140.38715	1.4
167.46613	1.2
181.48636	1.4
185.00810	4.3
253.25339	3.6
279.14148	1.2
281.24835	4.1
299.25879	100.0
300.26184	11.6
327.18304	12.3
327.22119	2.5
327.25406	5.5
327.29007	13.8
328.18369	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	327.29
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
70.76069	0.4
70.76421	0.2
109.54618	0.2
227.58994	0.2
258.84653	0.2
267.13199	0.2
279.26743	0.3
280.26865	0.2
281.28488	3.4
282.28802	0.5
294.70688	0.2
309.27853	1.2
310.28339	0.3
323.29086	0.2
325.27362	0.9
327.28983	100.0
328.29327	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	327.2172
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03435	7.6
58.00598	3.2
59.01359	12.2
71.16888	3.7
80.02680	6.2
83.05039	6.1
85.02927	3.1
93.25318	3.2
96.95992	3.9
98.94037	3.2
113.09708	12.8
121.02959	4.3
123.08124	5.6
125.09703	16.2
127.11296	8.2
129.05559	6.3
137.09708	9.0
139.11246	6.5
151.11284	3.8
155.10730	14.8
171.10237	33.6
185.11807	24.5
201.11295	50.4
209.11703	4.0
213.11304	27.4
214.11504	3.9
215.16548	6.8
227.12842	13.1
233.48143	3.0
247.20280	3.4
263.20029	4.6
283.22693	12.8
291.19620	12.4
300.90921	3.2
309.20645	24.5
327.21732	100.0
327.25226	7.6
328.22064	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2173
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03440	6.2
59.01372	8.4
66.81709	2.5
67.29193	2.5
69.03418	2.4
71.01371	2.9
71.62607	4.4
72.10468	2.9
80.02667	11.8
81.03439	6.6
83.05029	18.1
84.02171	8.0
85.02936	4.1
89.03558	2.2
92.14465	2.5
97.06593	8.3
97.80587	2.6
99.08189	5.5
103.18926	2.4
113.09731	4.9
123.04500	3.6
124.41846	2.7
125.09712	9.1
127.11237	7.5
137.09709	75.3
138.10052	5.3
139.11269	3.5
151.11281	3.6
153.09229	4.9
155.10741	23.0
167.10815	4.6
168.91428	3.0
171.10243	100.0
172.10553	5.4
173.11821	24.0
178.70021	2.9
185.11830	4.2
193.12306	11.2
209.11870	3.5
211.13368	4.2
221.11803	4.7
247.20583	6.4
263.20331	3.6
283.22760	4.1
291.19650	26.4
292.19949	3.4
309.20630	6.9
327.21701	28.6
327.25168	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	327.2173
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.54888	4.6
57.96752	4.7
59.01371	19.9
61.88747	4.2
61.98835	5.3
64.76481	4.3
69.03413	4.3
71.16961	7.5
77.80286	4.5
83.05013	12.1
85.02934	7.1
94.29483	4.7
97.06544	5.0
102.05596	6.0
113.09760	4.8
125.09726	10.8
137.09709	40.1
139.11299	6.2
146.78304	4.7
154.76831	4.8
155.10760	17.9
168.91391	7.5
171.10219	71.9
186.14766	5.2
193.12244	7.3
244.91414	4.6
265.21490	5.7
267.19611	5.5
283.22812	15.7
291.19772	30.2
309.20764	23.8
327.21750	100.0
327.25229	10.1
328.21793	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	327.1447
Annotation	Thymoquinol 5-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.54675	0.1
54.39863	0.1
56.72161	0.1
59.01368	0.9
69.81203	0.3
69.81599	0.2
71.01366	0.2
71.18479	0.1
77.89733	0.1
83.05003	0.1
85.02958	0.2
85.38941	0.1
98.20660	0.2
112.54617	0.1
138.03212	0.3
144.91063	0.1
148.05249	0.2
149.06036	0.5
150.06911	0.5
164.04808	0.4
164.08441	0.3
165.09189	100.0
166.09521	5.7
171.10245	0.3
197.06369	0.1
239.16463	0.2
258.33875	0.1
327.14478	4.0
327.21573	1.5
328.14771	0.5
328.22226	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	327.2172
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03424	1.8
60.47929	0.6
61.81522	0.5
64.93034	0.6
69.03445	2.4
71.01347	1.0
71.39392	0.9
71.39726	0.7
83.05006	1.0
84.02184	0.7
85.02940	7.6
95.05001	1.0
97.02912	1.1
97.06576	4.1
118.03971	0.6
121.14812	0.6
125.09688	1.7
127.11250	1.5
137.09717	1.9
155.14310	0.9
163.11220	0.7
165.12782	1.5
167.10730	0.7
167.14438	1.1
171.08769	0.9
171.10249	16.9
172.10576	1.0
177.12830	1.1
181.12183	0.7
183.13895	4.4
185.11768	1.8
193.12332	1.4
203.10655	0.9
209.11783	1.6
211.11404	1.3
211.13368	21.8
212.13850	0.9
221.11751	3.5
229.14372	12.1
230.14748	1.0
239.12820	1.8
268.00015	0.5
291.19614	3.3
327.21725	100.0
328.22070	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	327.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.2
57.03459	14.1
59.01370	5.8
61.57207	2.6
61.98820	6.4
71.01379	8.5
71.06989	5.3
83.01380	8.1
85.02429	5.7
85.02947	100.0
85.19816	2.9
86.03267	4.1
88.24724	2.9
101.02445	7.9
107.05007	5.4
111.00884	21.8
119.05005	10.0
121.02962	17.6
125.02356	2.7
127.84277	2.9
129.01935	48.9
147.04521	28.9
149.02405	3.0
165.01897	11.3
165.05542	45.2
166.05891	2.9
205.03510	16.0
261.97775	3.0
291.10913	4.7
327.08261	3.5
330.16260	3.0
345.41119	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	327.1446
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.12481	0.6
51.36535	0.6
52.39116	0.6
52.41100	0.7
52.89858	0.5
55.01868	2.3
57.03431	1.3
58.00576	2.2
59.01372	40.9
59.87738	0.7
61.53371	0.7
71.01378	26.0
71.63013	0.8
72.01723	1.0
72.99303	1.8
73.02940	2.5
74.99096	3.3
76.58177	0.6
83.01394	3.5
85.02937	8.8
86.76925	0.6
87.00871	2.4
88.20546	0.7
89.02428	20.9
90.04895	0.6
95.01397	2.3
99.00849	1.4
101.02431	18.7
102.02753	0.7
111.00893	1.0
111.11446	0.6
113.02438	11.5
119.03477	5.7
121.02928	8.0
129.01955	1.0
135.08200	1.6
147.08185	1.2
149.04507	0.9
149.09709	11.2
161.04558	1.1
164.08426	1.4
165.09184	84.6
166.09496	5.0
179.05588	2.1
189.09215	0.8
207.10245	6.3
213.30620	0.7
223.13356	1.2
327.14435	100.0
328.14780	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	327.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
59.01375	1.9
66.93269	0.1
69.73352	1.1
71.01375	5.8
73.02944	1.8
77.03998	0.2
83.01389	0.9
85.02942	4.0
87.00860	0.4
87.04512	0.3
87.11458	0.1
89.02450	0.7
93.03451	0.2
95.01400	0.2
97.02985	0.2
99.00887	0.9
101.02431	3.6
102.98595	0.4
103.89571	0.2
109.02926	0.9
111.00871	0.3
111.04542	0.5
113.02444	3.0
113.06106	0.6
118.51481	0.2
119.03543	0.2
119.05022	1.1
121.02955	1.1
121.06611	0.2
122.03747	2.0
122.72155	0.2
125.02386	0.3
127.00408	0.2
129.01938	1.0
133.02986	0.5
134.03708	2.1
135.04498	0.3
135.08139	0.5
136.01637	0.6
136.05305	1.2
137.06035	0.4
141.09171	0.3
143.03477	0.2
148.05222	0.4
149.06067	25.9
150.06346	1.0
151.07640	1.7
159.02922	0.8
160.78073	0.2
161.04550	5.8
163.04005	1.2
163.07652	0.6
163.11360	0.2
164.04787	3.8
164.08406	100.0
165.05446	0.7
165.09122	11.9
166.09535	0.6
169.08638	0.3
176.04713	0.3
179.07129	1.7
179.10776	0.3
184.57512	0.2
189.09198	0.6
189.46593	0.2
191.07202	0.2
192.07834	0.2
205.03542	0.3
207.10240	3.0
219.10216	0.3
284.03537	0.3
284.09012	0.5
291.08740	0.4
297.07486	0.2
299.05658	0.6
327.05005	2.1
327.08533	0.3
327.14731	1.4
328.14877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00308	1.0
54.12332	0.9
55.01862	4.4
57.03449	18.3
58.02315	0.9
59.01353	1.3
67.01894	1.7
70.62833	2.9
71.01368	6.2
72.99323	1.2
73.02941	3.8
75.00854	1.2
80.21470	0.9
83.01376	9.4
84.02178	3.1
85.02943	100.0
86.03309	2.5
101.02443	3.6
101.77464	0.9
111.00877	21.3
111.53186	0.8
112.01254	1.0
121.02949	19.5
129.01930	47.2
130.02295	1.4
147.08211	1.5
161.04544	2.8
164.08401	2.1
165.05544	4.0
166.13258	0.9
174.39624	0.9
177.04082	1.1
177.25685	0.8
187.02457	2.2
205.03508	16.5
291.68011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
57.03444	19.7
59.01145	0.8
59.01374	7.2
65.98205	1.1
67.01894	1.5
69.29810	8.9
69.30195	1.4
71.01379	8.8
72.99303	2.7
73.02950	3.2
75.00864	1.2
83.01368	9.3
84.02172	2.3
85.02946	100.0
86.03304	2.0
89.02450	3.7
93.03463	1.1
98.19875	1.6
99.00903	1.5
101.02455	6.1
111.00874	20.5
113.02428	1.4
121.02951	18.8
124.98492	1.0
125.44791	1.0
129.01930	46.4
134.48213	1.1
145.01477	0.9
147.04517	31.0
148.04837	1.3
151.07803	0.9
161.04568	2.1
164.08424	2.0
165.05556	18.5
177.04082	1.3
187.02394	2.0
190.92801	0.9
205.03513	18.1
209.02974	1.7
239.90736	0.9
262.92209	1.0
289.07321	1.6
327.07190	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.8
57.03444	18.5
59.10204	1.8
67.01882	2.5
69.70475	3.2
69.70881	7.8
71.01367	4.8
73.02947	2.6
83.01379	8.9
84.02136	3.5
85.02945	100.0
101.02441	3.9
111.00883	26.4
114.28260	1.6
121.02950	21.4
129.01927	45.7
130.02144	1.7
144.85284	1.6
161.04518	1.8
164.08400	3.7
171.92068	1.6
205.03500	16.5
300.85229	1.5
302.34665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86346	1.3
52.96685	0.9
55.01876	4.2
56.98263	1.1
57.03457	7.4
58.00586	1.0
59.01373	25.7
70.52190	1.0
71.01379	35.2
71.62954	1.4
72.99323	7.7
75.00880	2.0
83.01386	10.6
84.02160	1.2
85.02948	32.9
87.00864	2.5
89.02445	9.5
90.49763	1.2
99.00883	6.2
101.02433	3.0
109.02956	4.9
111.00881	10.1
113.02449	1.5
115.00338	6.4
119.03513	1.7
121.02948	100.0
122.03296	3.2
127.00389	3.3
129.01942	16.1
131.04970	1.5
133.01414	3.9
133.02933	2.3
133.06581	6.0
135.04510	2.2
143.03494	4.4
143.05013	3.9
147.04581	1.2
147.08160	1.3
149.02454	4.1
151.00322	1.2
151.04060	1.2
159.04570	1.7
161.06071	6.3
173.00920	7.5
175.03989	4.0
176.04790	3.5
189.05545	16.4
190.06151	1.2
191.07101	4.9
205.03484	2.6
251.05435	5.9
259.02515	1.5
267.06674	1.3
279.06577	2.4
284.03198	1.2
294.09082	1.6
295.04645	6.9
297.07547	2.1
312.09921	3.2
327.05176	3.4
327.12347	8.8
339.03793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09451	1.1
55.01863	3.9
55.11795	1.1
56.31967	1.0
57.03444	19.5
59.01384	7.4
61.36609	1.2
68.17110	1.0
69.62344	6.3
71.01376	9.6
72.87844	1.2
72.99297	2.5
73.02940	3.1
83.01377	8.5
84.02160	2.1
85.02946	100.0
86.03300	1.4
89.02437	4.6
98.20591	2.2
99.00849	1.9
101.02432	5.7
111.00869	24.6
113.02448	1.7
121.02126	2.2
121.02955	33.3
122.03246	1.9
129.01933	42.0
130.02267	2.2
134.33923	1.0
143.03508	1.2
147.04504	4.1
161.04520	2.7
165.05524	1.6
184.74265	1.2
187.02353	1.6
189.05609	1.1
205.03517	14.9
257.35693	1.1
327.07187	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	325.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22739	2.0
59.01374	16.1
70.83151	5.0
76.22836	1.7
83.01299	1.8
101.02464	2.5
121.10255	5.8
123.08127	2.7
125.09746	3.1
139.11263	4.8
149.09708	1.9
151.11282	8.5
155.53850	2.2
161.56561	1.9
162.40427	1.9
171.10258	28.3
177.12831	3.3
183.01204	6.7
183.10265	12.2
197.02725	5.2
257.85400	1.8
262.28030	1.8
263.23782	2.1
274.53162	2.0
275.20218	9.8
281.24811	2.5
284.14148	2.4
293.21121	5.6
307.22708	15.8
325.18326	23.8
325.23798	100.0
325.27011	3.6
326.24142	8.0
327.81866	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	325.2743
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
52.41730	0.7
54.78035	0.7
59.01371	4.1
59.27947	0.7
61.98821	0.9
62.65778	0.8
69.02554	0.8
72.67501	0.7
95.51298	0.7
103.89188	0.8
145.26059	0.8
183.01178	25.8
184.01834	1.9
197.02766	1.7
204.75250	0.9
239.23813	0.9
263.23642	1.1
265.25247	5.5
276.16528	0.8
281.28412	3.5
290.92996	0.8
307.26413	5.2
325.18420	49.8
325.27408	100.0
326.18704	6.8
326.27765	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	325.2017
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
58.00590	4.3
59.01373	16.9
65.03944	3.3
66.71410	2.0
69.03447	5.4
70.52283	6.6
71.01382	11.4
71.04981	3.0
83.05004	2.8
84.02165	3.7
93.03441	2.3
95.04977	3.1
97.06590	4.5
106.04220	2.1
109.06596	4.9
111.08151	42.2
112.08460	3.1
116.15066	1.9
116.67315	2.2
121.06544	5.0
123.08136	12.0
125.09706	11.1
127.11307	5.5
131.76445	1.8
132.94882	2.1
135.08151	8.9
137.09737	3.2
139.11278	3.0
151.11238	3.9
153.09233	10.9
155.10735	9.4
165.09262	3.1
167.10725	9.5
169.12239	4.9
171.10249	89.7
172.10533	5.4
181.12279	2.5
183.10242	8.1
185.11826	43.9
191.14348	4.4
193.14240	2.1
197.11806	22.2
199.13423	2.4
201.11305	58.8
202.11591	2.6
209.11775	3.1
211.13307	2.6
213.11246	16.9
215.12875	3.4
227.12845	16.9
235.13293	3.8
245.19104	5.4
289.18039	13.0
290.18546	2.6
307.19138	6.3
325.20166	100.0
326.20535	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	325.2014
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.35905	1.3
55.01878	1.4
57.03432	4.0
58.48979	1.4
59.01101	1.5
59.01377	20.0
60.79687	1.3
61.98801	1.5
65.03957	10.0
69.03440	10.8
69.51160	9.9
71.01357	1.5
71.05016	22.3
73.02938	1.4
81.03451	2.2
83.05020	10.3
95.05006	3.1
97.06574	17.3
98.80263	1.5
99.04485	1.5
101.34458	1.3
105.07088	3.8
106.04222	2.9
109.06584	3.5
111.08137	2.2
115.35748	1.4
119.04978	1.3
119.08657	1.9
121.06593	12.3
123.08152	19.8
125.09713	9.9
127.11268	2.4
135.08125	8.1
141.09187	5.2
150.16077	1.5
153.09203	4.3
155.10756	3.5
171.10254	38.6
183.10220	5.9
185.11842	19.3
187.12653	1.4
191.14488	1.8
197.11699	3.3
201.11288	15.9
209.11775	7.7
211.13353	21.1
219.13866	3.8
221.15483	2.4
235.13391	20.9
236.13747	2.0
237.14874	4.1
239.16801	1.8
289.18021	8.0
307.19135	6.6
325.20163	100.0
326.20493	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	325.2169
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
54.44809	0.5
59.01365	1.5
60.58616	0.5
70.36563	2.0
75.63800	0.6
79.95730	0.8
85.14003	0.5
88.54870	0.6
100.55012	0.6
119.05030	0.6
133.27295	0.6
149.09698	88.5
150.10034	5.2
163.11266	96.5
164.11569	5.6
170.00363	0.8
183.01178	23.3
184.01909	4.1
197.02916	0.6
215.28722	0.5
216.00952	1.9
289.41327	0.7
302.31549	0.5
325.18286	42.7
325.21701	100.0
325.27646	2.5
326.18555	5.2
326.22037	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	325.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01367	8.4
67.85719	0.9
69.32758	9.4
74.26810	1.1
76.04700	0.9
78.94852	0.9
82.30158	1.2
82.81008	1.0
86.34869	1.0
97.06569	1.2
106.04294	1.1
121.10212	3.9
123.08142	3.7
125.09699	1.6
137.09604	1.0
139.11270	19.3
149.09793	1.2
151.11266	10.0
153.12875	1.2
155.10732	1.5
169.31052	1.0
171.10246	30.4
173.78798	1.0
177.12825	8.9
183.01195	2.6
183.10268	9.1
197.02815	2.4
265.12799	1.1
275.20175	9.8
293.21152	7.8
307.19244	1.0
307.22708	24.4
308.23026	2.8
325.18253	6.3
325.23788	100.0
326.24057	8.4
345.34491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.2
59.01373	17.7
65.00307	8.7
70.99716	11.9
80.02676	15.4
81.03483	7.4
83.05035	12.4
85.35217	4.3
95.04982	4.7
97.02943	4.8
97.06618	5.2
106.04244	17.4
109.06554	7.9
121.02918	9.8
123.04440	5.6
123.08102	7.2
124.90508	4.6
125.09691	23.0
127.11275	5.2
135.08142	100.0
136.08449	6.5
137.09709	10.0
145.02968	4.1
153.09192	17.8
155.10759	6.2
163.65382	5.1
171.10251	94.5
172.10577	4.9
185.11792	12.6
209.11765	5.9
211.13339	16.4
221.11832	6.8
227.12978	5.9
239.12964	4.6
245.19104	4.8
289.18103	13.5
307.19098	19.0
325.20038	7.6
325.23505	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	325.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	13.0
59.01364	39.4
70.99599	13.8
71.01360	15.9
73.02925	8.0
80.02661	9.5
84.02164	8.4
93.07069	7.3
106.04227	11.3
121.06600	37.5
123.08173	8.2
125.09727	34.6
127.11208	8.1
134.79662	6.3
135.08133	28.9
137.09669	15.3
139.11308	9.0
153.09175	24.7
164.30147	6.2
167.10703	6.4
171.10252	100.0
185.11829	83.5
198.56555	6.3
211.13297	8.1
213.22882	6.7
218.61702	6.8
261.18295	10.9
307.19214	10.5
325.20264	11.1
325.23776	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	325.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37000	1.4
57.03452	7.3
57.31507	1.3
59.01371	10.2
69.03441	3.6
70.42932	3.2
70.43298	2.9
71.01359	3.7
71.05011	5.2
80.02645	3.4
83.05018	4.9
84.02174	1.9
85.02924	1.4
85.06573	3.7
87.04510	5.0
95.05016	2.7
97.02925	4.1
97.06567	4.0
107.05042	2.6
109.06578	32.9
110.06892	1.6
115.07583	1.2
125.06055	2.5
127.07657	1.7
127.61278	1.2
151.11275	2.9
153.12897	2.1
157.62617	1.3
163.11270	1.6
169.12308	7.7
171.10278	4.0
177.12825	2.2
181.12337	5.5
183.13887	2.9
186.99637	1.7
193.12331	4.6
197.11801	65.2
198.12085	2.6
199.13388	4.7
209.11835	3.3
211.13368	35.9
212.13742	3.2
219.13837	2.0
227.12738	2.2
235.13362	7.5
237.14897	7.5
249.14963	4.0
289.18094	4.8
306.72101	1.3
307.19122	4.5
325.20148	100.0
326.20529	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	325.2017
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.16872	1.5
57.03437	6.2
57.82441	1.5
59.01364	11.2
59.47955	1.4
65.03940	1.9
67.01894	2.6
69.03444	3.6
70.90220	2.8
70.90541	1.6
71.05008	10.7
79.05537	3.7
80.02671	2.8
81.03448	1.5
83.05016	11.4
85.02933	3.5
85.06576	3.6
87.04503	2.2
93.03439	2.1
95.05013	7.7
97.02956	2.1
97.06575	8.4
97.37753	1.6
106.04264	3.6
109.06583	5.1
111.04546	11.7
111.40262	1.7
123.04490	2.9
123.08150	7.6
124.05273	1.6
125.09700	5.8
127.07581	1.7
135.08156	10.0
153.09206	9.5
171.10258	44.5
172.10690	3.0
177.12759	3.2
185.11778	7.3
189.35513	1.6
191.14487	2.0
193.12379	4.1
195.13835	3.0
205.15948	2.8
207.10173	1.7
209.11806	14.4
211.13374	7.4
221.11789	4.1
227.12807	4.4
235.13390	4.9
237.15012	5.5
244.92204	1.5
245.19101	5.7
249.14890	10.1
267.15988	2.4
289.18042	14.9
307.19101	11.1
308.19336	2.2
316.29749	1.9
325.20142	100.0
326.20432	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	325.2014
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
54.19900	5.3
57.03432	9.1
59.01374	65.3
61.83218	6.1
61.98815	9.0
62.09452	5.7
63.12695	6.2
65.00318	9.2
67.01852	8.4
71.01378	6.5
71.62611	7.6
75.93074	6.6
80.02674	16.6
81.03429	8.9
93.03447	11.5
106.04222	15.2
109.06554	11.6
121.02925	11.7
123.08167	9.9
125.09718	11.4
135.08142	100.0
137.09697	8.4
153.09285	8.2
161.04683	6.5
167.10789	7.3
171.10257	89.5
209.11755	8.3
211.13344	21.7
235.58992	6.4
237.14980	18.9
245.18950	13.5
264.72745	6.3
281.20953	9.3
289.18036	19.1
290.17279	6.0
307.19058	12.7
325.14719	10.1
325.19806	22.2
325.23660	12.0
343.88974	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0925
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
52.45295	0.6
52.95335	0.5
59.01375	6.2
69.89145	3.6
71.01385	2.5
83.01362	0.6
85.02953	0.8
89.02432	1.4
96.87994	0.6
96.96014	3.1
109.02948	2.5
109.98106	0.8
111.23905	0.7
113.02418	0.8
117.03457	13.8
119.05015	100.0
120.05363	5.5
123.04474	1.6
125.02461	2.2
128.19766	0.7
137.02478	1.3
145.02937	81.0
146.03278	4.1
149.02478	0.8
151.04007	1.1
159.04492	1.1
161.06067	1.1
163.03989	86.7
164.04333	4.8
165.01859	0.7
175.04002	0.6
187.03941	4.7
188.04510	0.9
203.07188	1.4
205.05106	1.5
215.19203	0.7
245.08144	1.2
265.07159	1.5
289.07126	9.7
290.07541	1.2
325.09244	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	325.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90161	0.2
59.01377	6.0
63.59758	0.2
69.65129	0.4
69.65525	1.6
71.01382	2.6
85.02950	0.5
89.02438	1.9
96.96005	1.4
101.02431	1.0
107.04993	0.3
107.60889	0.3
108.56142	0.2
113.02441	0.8
117.03458	20.0
118.03809	1.0
119.03511	0.7
119.05016	5.8
120.05396	0.3
122.22076	0.3
133.06590	0.5
135.20827	0.2
145.02939	100.0
146.03282	5.2
147.27458	0.3
149.02513	0.3
159.04491	0.8
161.06046	1.5
163.03990	9.4
164.04347	0.6
181.05022	0.3
185.22855	0.3
187.03993	4.2
205.05003	1.5
235.06058	0.5
265.07132	1.7
266.07660	0.3
289.07306	0.7
325.09268	7.8
326.09738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.3
69.51417	6.1
71.01376	9.8
72.99308	1.2
83.01395	0.9
85.02943	2.3
89.02441	6.1
93.03471	1.1
95.01387	0.8
96.96014	7.0
98.78848	0.9
101.02405	2.2
113.02441	1.6
117.03461	20.2
119.05016	38.4
120.05408	1.4
121.02925	2.1
131.05026	1.1
131.40530	0.7
132.05841	1.1
133.06578	8.5
145.02937	100.0
146.03267	6.0
155.81146	0.8
159.04489	2.9
161.04745	1.2
161.06078	17.5
162.03273	0.9
162.06444	1.4
163.03995	34.8
164.04327	2.0
177.05565	4.5
187.03990	11.9
205.05025	20.8
206.05495	1.2
235.06084	12.0
236.06354	1.0
265.07141	34.4
266.07458	2.5
281.10690	2.4
325.09512	15.1
326.09744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01376	100.0
60.01717	1.1
61.98827	1.2
68.75086	0.6
69.87945	1.0
69.88335	1.5
71.01368	5.0
72.99288	0.7
73.02948	1.6
83.01394	0.8
83.90311	0.6
85.02947	2.0
89.02427	0.6
92.47253	0.5
98.19926	0.7
101.02436	3.0
113.02477	1.6
119.05025	2.5
121.02971	1.3
134.04770	1.3
161.04530	3.2
163.04028	1.5
189.77765	0.6
260.47440	0.6
265.12918	8.9
325.10519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28260	1.1
78.22841	0.3
79.95322	0.3
79.95759	1.0
86.91383	0.3
117.28409	0.3
119.05010	1.1
170.00421	1.4
180.45276	0.3
183.01187	48.1
184.01790	3.3
197.02753	2.9
198.03445	0.8
216.00958	1.7
225.05991	0.3
239.07420	1.0
253.16028	0.3
261.22134	0.3
325.18384	100.0
326.18713	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	323.2223
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03431	3.3
59.01373	41.2
64.36478	2.7
66.90172	2.6
69.39297	2.3
71.05023	5.8
71.41990	3.6
81.03453	20.7
83.04987	3.9
85.02918	3.2
94.31335	2.4
95.04983	3.9
96.95963	6.4
97.06578	5.8
99.08121	5.2
111.08106	3.4
119.08617	3.7
121.02923	2.8
121.10210	10.6
123.08103	3.5
125.09731	15.3
135.08093	3.3
137.09697	41.2
138.10039	2.9
149.09674	7.2
151.11209	3.7
162.75986	3.2
171.10248	52.1
172.10652	2.6
185.11809	13.1
191.14389	10.7
197.11775	3.1
209.11766	2.9
217.15913	5.5
223.13437	2.2
235.17201	2.6
247.20409	2.9
273.18527	17.2
278.81012	2.6
291.19659	60.5
292.19833	3.1
305.21170	95.1
305.24713	5.1
306.21506	6.0
323.18884	4.9
323.22195	100.0
324.22519	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	325.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54207	0.6
59.01375	52.2
70.21766	0.6
71.01392	4.3
71.05032	1.3
71.17376	0.8
71.17690	0.8
72.99293	1.4
73.02937	1.1
75.00866	1.7
81.03450	2.2
85.02937	1.4
87.00867	2.4
89.02429	2.4
93.03452	1.4
96.95947	0.7
99.04511	8.4
101.02448	0.8
101.85022	0.7
102.98577	2.2
113.02448	2.0
117.03453	9.1
119.05016	27.4
120.05354	0.7
121.02943	100.0
122.03285	4.0
130.04224	0.8
131.04999	2.2
132.05821	1.5
133.06580	5.7
135.04427	1.1
143.03456	2.3
145.02940	38.9
146.03297	2.0
147.04503	1.5
152.86734	0.7
155.13147	0.6
158.03682	1.9
159.04491	8.9
160.04895	0.8
161.04546	3.4
161.06068	10.7
162.06310	0.9
163.03981	11.7
163.07637	0.9
164.04343	0.7
173.06047	0.7
177.05511	2.0
187.03983	48.7
188.04280	4.0
191.07123	0.9
191.43506	0.6
198.16891	0.7
203.05635	0.7
203.10770	1.1
205.05014	7.6
206.21199	0.6
229.05060	0.8
235.06108	2.8
237.05824	1.8
237.09532	1.5
265.07175	5.6
265.09613	0.9
283.08136	3.5
310.08145	0.8
325.09286	4.0
334.79044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
56.68658	2.7
57.03447	8.5
59.01369	38.8
69.39832	3.8
69.40239	20.2
78.38223	3.2
83.04996	3.4
84.13830	3.0
94.42811	2.6
96.96007	4.5
97.06550	5.4
107.08640	4.8
112.46475	2.5
119.08654	46.9
121.03043	3.3
121.10233	5.7
125.09723	10.2
135.08128	4.3
137.09717	9.3
141.09167	2.9
149.09706	5.0
151.11301	8.3
163.11295	3.6
171.10255	92.4
172.10602	4.3
183.10268	8.7
185.11800	11.2
195.13788	3.5
197.11754	8.2
199.13490	2.7
202.56294	2.5
205.87045	3.1
223.13492	4.6
229.19591	16.6
247.20671	8.4
252.00365	2.7
265.14737	4.4
273.18567	54.4
274.18991	5.7
291.19623	80.2
292.20026	9.6
305.21301	25.4
323.22263	100.0
323.25623	4.2
324.22559	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	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.36596	1.3
55.01874	2.5
57.03443	11.0
59.01374	18.2
65.03941	1.7
67.01865	2.2
68.33865	1.7
69.03439	4.7
71.01357	2.5
71.05025	11.1
71.16876	3.5
73.91912	1.6
79.05514	1.5
80.02680	2.4
81.03459	7.3
83.01381	15.6
83.05023	9.5
84.02173	2.0
85.02917	2.4
93.03455	3.4
95.05018	23.5
95.33710	1.4
96.96005	1.7
97.02934	3.5
97.06586	19.2
107.05016	3.0
109.06583	5.7
111.04504	2.3
113.06074	4.4
120.05841	2.1
121.02911	4.4
121.06588	3.1
123.04523	8.1
123.08140	5.4
125.06005	2.3
125.09714	29.2
128.50166	1.7
133.06487	1.8
135.08170	15.3
137.06107	2.3
137.09744	2.5
141.12836	2.4
143.07155	1.8
149.09697	2.6
151.07631	2.6
153.09187	3.8
155.32538	1.6
163.11270	11.4
165.12798	5.8
167.10725	4.8
168.70348	1.5
171.10307	2.8
175.11292	1.9
179.10733	2.5
181.12334	5.1
185.11835	21.3
189.12834	4.2
191.10820	7.3
203.14378	6.5
207.10217	3.3
209.11815	100.0
210.12180	5.0
211.13321	3.6
219.10132	1.9
221.11824	4.5
223.13258	2.1
237.14993	10.4
243.17438	6.5
247.13321	7.2
249.14967	4.1
255.57201	1.5
265.14417	20.5
279.19528	2.5
287.16669	8.2
305.17578	15.0
323.15121	3.5
323.18607	27.6
323.22330	2.2
324.18890	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	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71796	1.6
51.14259	1.5
57.03439	15.6
59.01100	1.9
59.01375	25.1
69.03439	3.4
70.66842	2.2
70.67157	2.8
71.01373	2.9
71.05018	7.7
73.02927	1.7
79.05529	1.9
80.02672	2.2
81.03452	5.7
83.05010	7.3
84.95792	1.6
87.46156	1.9
89.02435	2.1
93.03429	2.5
95.05019	71.2
96.95972	2.8
97.06565	14.9
106.04248	1.8
107.05023	3.0
109.06573	22.0
113.02395	1.9
119.04973	1.9
121.06602	2.5
122.75775	1.7
123.04500	3.9
123.08121	5.7
125.02426	3.9
125.06051	2.8
125.09718	28.7
128.68990	1.6
135.07169	3.1
135.08150	48.7
135.09184	2.4
136.08459	3.4
139.07599	1.8
151.07582	3.7
151.11230	2.5
163.11304	8.2
166.43327	1.8
171.10262	25.9
171.62523	1.5
179.14430	9.8
183.10254	1.8
185.11818	17.9
189.12804	4.0
193.59792	1.8
197.11714	1.7
207.10280	9.3
209.11800	12.5
211.13359	2.7
223.13364	100.0
224.13724	8.3
231.65221	1.6
235.13254	4.7
243.17441	4.3
247.13316	4.4
249.14894	7.7
263.16446	7.0
265.14441	34.0
265.50055	1.8
266.14648	1.8
287.16479	13.7
293.91751	1.8
305.17529	26.8
323.18561	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	323.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48432	2.1
53.25653	2.2
57.03442	7.5
59.01373	13.3
69.03455	2.5
69.32807	19.5
70.23601	1.8
71.05019	100.0
72.05369	2.3
73.85313	2.2
80.02702	1.8
81.03452	5.3
83.05060	9.1
89.25119	1.9
91.01910	2.5
93.03453	21.7
95.05019	22.1
96.95985	3.1
106.04253	2.7
107.04955	2.1
108.02176	7.6
109.02972	9.2
109.06570	13.8
110.03733	5.8
111.04543	9.2
121.06593	3.8
122.03773	3.4
123.04543	2.4
123.08158	5.0
125.09693	4.3
127.07686	2.0
127.11204	2.3
133.06606	10.6
135.00859	5.4
135.08139	8.3
137.02437	33.4
137.06087	2.3
147.08173	2.6
150.06787	2.4
151.07642	25.5
152.01158	5.7
153.09268	2.6
161.06091	2.9
161.09732	2.8
165.09172	5.7
165.12805	3.0
171.10263	42.5
185.11781	5.2
189.12823	12.4
195.13908	3.3
199.13367	3.3
205.15961	4.7
207.51851	1.9
209.68097	1.8
211.13406	6.7
220.05571	2.0
231.13849	2.5
233.11768	6.6
243.06586	22.6
243.17543	17.8
249.14919	9.4
261.18573	2.6
269.15469	3.4
287.16473	55.4
288.16785	6.4
305.17596	28.1
306.17804	2.5
323.02243	7.3
323.18536	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	323.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.3
59.01378	9.8
70.72282	2.6
70.72626	1.3
71.05013	24.7
76.95473	1.4
81.03445	3.8
82.77389	1.3
83.05019	3.9
93.03459	1.5
95.05017	48.6
96.95991	1.8
97.06562	7.7
107.05018	2.2
109.06580	30.3
110.06911	1.8
111.04474	1.5
121.06588	1.5
123.08163	2.8
125.09671	2.2
127.11268	1.9
133.06567	1.8
135.08141	10.5
135.14919	1.3
151.07617	12.1
151.11253	3.9
163.72571	1.3
171.10246	100.0
172.10576	6.4
177.12787	2.8
185.11800	2.1
189.12836	11.5
190.13100	1.8
190.60294	1.4
191.10698	2.2
209.11757	7.1
223.13316	6.4
233.11826	9.7
235.13344	1.5
249.14926	25.3
250.15392	2.0
259.57413	1.4
263.16531	5.5
264.16815	1.2
287.16507	5.0
305.17526	18.1
306.17917	2.9
323.18494	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	323.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85011	0.4
59.01374	100.0
60.01708	1.9
62.39799	0.4
69.90816	2.3
71.01369	2.3
85.02950	1.6
90.34631	0.4
96.96004	5.9
101.02456	1.8
102.98599	1.0
113.02451	0.8
114.35383	0.5
161.02492	0.7
161.04572	1.1
190.19003	0.5
191.00041	0.6
243.16051	0.8
263.14972	3.6
323.11868	3.3
324.12473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32908	0.7
58.00597	0.7
59.01375	100.0
63.53813	0.6
70.92403	0.8
70.92731	1.3
71.01376	17.8
72.99308	0.9
73.02937	2.4
83.01358	0.9
85.02952	4.7
87.00880	1.6
89.02443	18.5
94.98561	0.7
95.01384	1.3
96.95950	0.9
98.65014	0.7
99.00889	1.1
101.02445	10.9
106.02682	0.7
113.02425	8.6
119.03487	9.8
143.03468	1.4
143.07129	3.9
161.04581	2.5
161.08192	0.9
179.05603	4.1
199.18918	0.9
216.44589	0.7
263.11380	1.0
323.07434	1.9
323.13440	67.4
323.94852	0.8
324.13861	4.7
344.96167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01702	1.6
66.17599	0.6
69.54977	3.6
71.01376	5.9
73.02945	1.4
82.66476	0.6
85.02949	3.9
88.58509	0.6
89.02452	1.9
91.38245	0.6
96.96033	0.7
97.52259	0.6
101.02430	3.8
101.06086	1.5
113.02461	2.4
116.23502	0.6
119.03501	0.9
125.51968	0.5
159.03067	0.8
161.04546	5.9
212.22670	0.6
263.11316	5.6
267.86642	0.6
323.04459	0.6
323.08060	1.5
323.13528	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	321.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05186	1.0
57.03428	3.1
59.01371	13.2
71.01345	1.8
71.05014	100.0
71.16607	1.7
71.16957	1.4
72.05356	2.0
73.02915	2.1
81.03453	4.9
83.05008	1.7
95.05012	2.9
95.46860	1.0
96.54487	1.1
96.95978	4.4
97.06587	2.3
107.05074	1.2
109.06585	2.1
123.08138	1.6
137.06087	3.5
137.09688	1.7
149.09726	1.5
151.11264	11.9
152.11642	1.4
167.10835	1.4
191.14374	4.7
193.12303	2.0
197.66518	1.3
205.12309	1.3
217.12231	2.5
225.14908	5.6
233.15405	9.6
235.13397	1.5
237.14890	2.6
247.16888	1.1
249.14952	10.9
265.18039	5.7
271.16901	1.6
289.17984	8.7
290.18420	1.3
303.19592	1.6
306.18347	12.8
307.18671	2.4
321.17426	3.5
321.20642	88.1
322.21078	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	321.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29379	2.3
57.03427	2.2
59.01376	24.8
61.98840	2.9
64.53830	2.1
71.05016	20.3
81.03459	5.9
83.05030	4.1
96.96007	5.2
97.06573	3.3
99.15007	2.3
108.05776	2.6
109.02943	3.7
109.06566	7.5
111.04507	48.5
111.08143	2.9
115.89118	2.1
127.07645	4.9
131.22510	1.8
137.06058	6.5
137.09746	2.1
141.09288	3.6
149.09714	8.0
151.07619	2.8
171.75467	2.4
177.12822	23.1
193.12302	3.7
233.15337	4.6
235.13364	5.3
249.14899	5.2
266.92630	2.3
289.18088	13.2
303.19528	3.4
306.18317	4.4
321.17560	3.5
321.20657	100.0
322.21106	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	323.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85734	1.1
55.01867	1.8
57.03429	4.0
59.01373	100.0
68.99550	2.0
71.01376	19.5
71.60602	1.1
72.99270	3.0
73.02936	26.1
74.99081	4.5
75.00861	1.6
77.26508	1.1
79.95745	1.7
82.72212	1.2
85.02940	25.8
87.00858	5.1
87.04500	5.0
89.02434	14.2
95.05005	3.7
96.95998	28.1
99.00872	10.9
99.04488	3.5
101.02463	12.0
112.98560	2.0
113.02411	6.5
117.01928	58.5
118.02300	1.6
119.03497	6.1
119.04945	1.7
125.02386	3.2
129.01901	1.6
130.99844	1.4
131.03499	1.9
136.99127	3.4
142.99809	1.4
143.03494	3.0
143.07094	2.6
147.02992	2.8
149.04538	5.0
161.04507	4.1
161.08179	2.2
165.09290	1.2
165.49397	1.0
179.05566	2.4
191.01921	6.3
192.02266	1.4
209.02966	1.3
234.23441	1.2
235.10016	1.6
243.12312	12.1
263.05728	3.7
323.07895	48.7
323.13354	39.0
324.08038	2.9
324.13818	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64249	3.2
57.03450	5.8
59.01374	43.9
61.77545	2.7
69.78143	18.9
71.01379	6.4
71.05008	37.8
75.00836	4.3
80.02674	4.6
81.03447	11.8
83.05020	9.3
93.03448	9.0
95.05020	69.2
96.05366	4.7
96.84392	3.1
96.95979	5.0
97.06557	17.5
98.20525	4.9
104.34509	3.0
107.05001	17.9
109.06569	32.0
111.04493	16.6
121.02932	14.6
121.06565	7.3
122.03702	5.5
123.04489	4.9
123.08141	7.8
125.09705	69.4
126.10052	5.1
135.04503	14.5
136.05267	4.4
137.06065	7.5
139.11336	3.8
149.06071	21.1
149.09856	3.3
151.07626	100.0
152.07982	6.2
167.07149	14.1
167.10767	9.6
171.10222	32.4
172.69427	3.1
178.06299	6.2
185.11815	29.5
205.12329	8.4
209.11769	4.0
219.14131	3.9
223.13335	13.1
225.14940	3.6
233.15427	3.9
236.23253	3.6
237.11432	4.8
247.13306	8.1
259.16980	3.8
265.14374	43.6
266.14792	4.9
277.18024	4.0
303.16098	23.3
305.17242	3.2
321.10580	4.4
321.16992	77.3
321.20703	34.8
322.17136	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
56.28961	0.4
57.03442	1.0
58.00597	0.8
59.01373	20.7
66.02858	0.4
71.01377	17.0
71.62432	0.6
72.99295	1.3
73.02943	4.1
74.12639	0.4
75.00868	2.3
83.01382	2.2
83.05022	0.5
85.02945	4.6
87.00881	1.5
87.04485	0.8
89.02437	6.1
95.01387	1.2
96.96001	2.1
97.55148	0.5
99.00851	1.3
101.02433	8.6
101.06080	2.4
111.00887	1.3
113.02442	4.2
113.09725	3.2
116.05040	1.4
119.03468	1.6
120.99658	2.4
121.02940	0.8
121.83032	0.5
123.04477	1.1
125.02414	0.8
136.01654	0.5
136.99120	0.6
141.09193	1.5
159.10260	33.8
160.04068	1.7
160.10582	1.8
163.04030	0.6
164.04294	0.6
193.05049	0.6
202.05107	1.4
205.04994	0.5
219.40785	0.5
246.34837	0.4
262.07013	1.1
277.06943	0.6
293.20721	0.5
303.14331	2.3
305.74686	0.5
321.15494	100.0
322.09479	3.4
322.15771	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	321.1702
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.66874	1.2
57.03429	5.7
59.01373	14.8
61.94810	1.1
67.01915	1.2
69.03448	4.3
69.96518	1.3
71.01364	3.9
71.05014	13.6
71.62769	1.7
71.63206	1.8
73.02930	3.7
78.99561	1.2
79.95721	1.2
80.02658	4.3
81.03451	12.5
83.05017	6.6
86.32805	1.3
93.03451	15.9
95.01367	2.7
95.05016	74.7
96.96018	2.3
97.06586	10.7
101.55951	1.2
107.05023	20.6
108.02140	2.6
108.60531	1.3
109.02985	2.3
109.06575	26.5
111.04496	15.6
111.08139	2.3
121.02939	13.2
121.06584	7.5
122.03716	2.7
123.04497	7.1
123.08160	10.2
125.06055	1.8
125.09709	62.2
126.10086	3.2
127.11214	1.4
135.04523	14.7
135.08122	1.7
136.05254	5.3
137.06102	6.1
139.07553	2.1
139.11250	3.8
147.78444	1.3
149.06050	22.0
149.64153	1.3
151.07629	100.0
152.07951	4.4
165.05432	1.2
167.07103	14.2
167.10709	4.1
169.08679	1.8
171.10239	25.5
175.11194	1.8
178.06361	6.4
181.12305	1.4
183.10265	2.4
185.11810	24.5
186.12083	2.0
197.11819	1.9
205.12234	5.8
219.13831	2.6
221.11699	3.5
223.09633	2.2
223.13365	10.1
237.11238	4.5
237.14883	3.9
247.13438	7.9
249.11270	4.6
259.16928	1.8
263.12732	2.3
265.14401	39.9
266.14661	4.4
275.16666	1.6
277.18002	2.6
279.15967	2.5
285.14807	2.5
289.18039	6.0
293.17419	3.8
303.15927	21.2
304.16238	1.7
321.13251	2.2
321.16968	39.4
321.20624	7.7
322.17242	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30740	1.3
54.56713	1.3
55.01876	3.7
57.03442	19.1
59.01374	19.6
61.68753	1.5
71.01387	9.9
71.63000	1.8
72.99300	4.4
73.02924	3.5
75.00872	2.3
83.01385	13.7
84.02183	2.4
85.02943	100.0
86.03297	1.6
87.80851	1.5
96.96005	2.5
99.00861	1.9
101.02438	6.7
111.00874	32.7
115.07654	12.8
129.01924	44.6
129.75723	1.8
130.02258	1.8
161.04541	3.0
187.02463	1.9
191.01962	4.9
205.03494	25.1
205.12172	2.0
223.04576	3.9
321.09988	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
56.28961	0.4
57.03442	1.0
58.00597	0.8
59.01373	20.7
66.02858	0.4
71.01377	17.0
71.62432	0.6
72.99295	1.3
73.02943	4.1
74.12639	0.4
75.00868	2.3
83.01382	2.2
83.05022	0.5
85.02945	4.6
87.00881	1.5
87.04485	0.8
89.02437	6.1
95.01387	1.2
96.96001	2.1
97.55148	0.5
99.00851	1.3
101.02433	8.6
101.06080	2.4
111.00887	1.3
113.02442	4.2
113.09725	3.2
116.05040	1.4
119.03468	1.6
120.99658	2.4
121.02940	0.8
121.83032	0.5
123.04477	1.1
125.02414	0.8
136.01654	0.5
136.99120	0.6
141.09193	1.5
159.10260	33.8
160.04068	1.7
160.10582	1.8
163.04030	0.6
164.04294	0.6
193.05049	0.6
202.05107	1.4
205.04994	0.5
219.40785	0.5
246.34837	0.4
262.07013	1.1
277.06943	0.6
293.20721	0.5
303.14331	2.3
305.74686	0.5
321.15494	100.0
322.09479	3.4
322.15771	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	321.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
57.03443	19.8
59.01375	34.6
67.01885	0.9
71.01373	9.4
71.03124	0.8
71.62482	1.9
73.02937	3.6
75.00879	1.2
79.95736	7.8
80.47651	0.9
81.22958	1.0
83.01380	10.7
84.02173	2.0
85.02945	100.0
86.03309	2.1
87.00888	1.0
89.02439	0.9
94.66304	1.0
95.95230	1.8
96.96002	16.1
101.02431	4.6
111.00874	30.6
115.07632	17.6
129.01930	46.0
130.02274	2.2
161.04504	3.3
181.11505	1.1
182.06329	0.9
183.10255	1.5
187.02473	2.4
191.01968	2.2
205.03491	25.0
223.04623	4.8
223.06479	1.0
261.13617	0.9
265.58191	1.0
321.09598	10.2
322.10355	1.4
328.99042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.8
59.01380	17.3
64.47462	1.1
69.03454	6.5
69.18560	1.1
71.01383	15.5
71.61317	1.6
72.54287	1.2
72.99303	2.1
73.02943	11.6
74.99074	1.2
75.76923	1.2
78.95909	1.5
79.95726	1.3
83.01382	1.6
84.50552	1.2
85.02948	27.3
87.00871	100.0
88.01203	1.5
89.02475	2.0
95.01402	4.3
96.96009	19.7
96.96948	2.9
97.02943	24.7
99.00866	2.8
100.04027	1.6
100.09293	1.1
101.02437	4.1
103.04002	9.9
111.00853	1.9
112.98788	1.3
113.02428	9.5
115.00362	10.7
115.03999	1.6
125.02396	1.2
129.01933	3.1
141.01956	3.3
142.99861	1.9
145.01454	2.8
147.03035	1.8
157.01399	6.9
175.02470	47.0
176.02823	2.2
195.00095	1.3
217.03484	20.2
241.10759	2.6
262.06342	1.5
269.59375	1.3
303.07089	6.3
321.06067	8.0
321.11658	4.9
322.11417	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	321.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09322	0.9
59.01374	56.5
69.80575	5.6
71.01381	7.7
73.02935	1.0
74.99091	1.2
77.73060	1.0
79.95738	2.4
83.01391	1.4
85.02954	3.1
89.02448	3.0
93.03442	1.1
96.96003	49.0
97.06548	1.2
98.19951	1.6
101.02433	3.7
113.02422	2.5
118.82169	0.9
119.05008	17.0
120.05354	0.9
120.99670	1.0
121.06635	1.3
121.99944	1.0
123.04477	1.1
136.99106	1.1
137.02452	1.2
145.06573	1.9
150.66927	0.9
151.07634	2.7
159.03204	1.1
159.06531	1.9
160.04018	5.1
161.04555	2.5
163.04031	1.0
163.07643	3.4
171.15703	0.8
179.10706	1.6
188.92990	0.9
208.98012	0.8
241.10794	41.3
242.11148	3.1
245.09425	1.1
303.13541	2.3
321.06454	100.0
321.09821	3.5
321.15588	2.6
322.06635	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	321.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63477	0.9
57.03434	1.8
59.01374	60.0
69.62831	1.5
69.63254	4.7
71.01369	1.2
71.57890	0.9
72.99330	0.9
73.02936	0.9
79.95732	1.7
85.02950	7.4
95.05007	5.2
96.96003	67.1
119.05020	1.3
120.99603	1.0
125.02404	1.0
137.02438	1.5
144.85678	0.9
149.09700	1.1
151.07628	1.8
228.15552	1.0
241.10789	39.2
242.11160	2.5
261.13663	1.0
262.71234	0.8
321.06451	100.0
322.06741	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	321.074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99870	3.4
59.01376	68.8
62.73875	3.3
69.94592	21.7
71.01372	9.3
85.02939	9.5
88.02145	3.7
96.96002	58.9
119.04977	5.4
123.04505	7.1
137.02411	6.0
159.03000	4.3
221.60162	4.5
241.10762	30.5
321.06488	100.0
321.31174	4.2
322.06720	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	321.0824
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01878	1.1
57.03434	4.0
59.01377	16.7
69.03450	7.3
71.01379	16.1
71.61239	1.6
72.99297	1.7
73.02937	12.6
73.92472	1.2
78.95921	1.4
83.01359	1.7
85.02942	35.5
87.00868	100.0
88.01212	2.0
89.02426	1.4
95.01366	5.0
96.96008	17.4
96.96925	1.6
97.02944	22.2
99.00871	2.4
101.02430	4.7
103.04003	12.8
111.00836	2.1
113.02443	9.2
114.01913	1.2
115.00366	9.9
115.03985	2.0
120.99655	1.9
124.30122	1.2
125.02356	1.4
129.01949	1.8
138.22778	1.1
141.05530	1.3
142.44003	1.1
145.01384	4.6
147.02968	2.2
147.06595	1.4
157.01447	7.5
164.89526	2.2
173.00974	1.3
175.00943	2.5
175.02467	51.1
176.02766	2.2
191.01953	1.8
204.58920	1.4
217.03516	19.1
241.10829	3.8
243.82825	1.2
303.07181	5.1
321.06335	11.3
321.11603	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	319.155
Annotation	alpha-Zearalenol
Peak:m/z	Relative Intensity
59.01374	2.8
71.49455	0.7
96.96024	3.4
108.02158	8.8
109.02985	1.4
115.02695	1.0
122.03735	7.0
130.04198	0.9
137.02501	1.0
147.04504	11.5
148.05222	2.9
161.02370	1.3
161.06070	4.5
172.05309	7.6
173.05989	1.4
175.03990	34.5
176.04771	100.0
177.05080	5.0
183.13873	1.0
185.06052	1.2
189.05360	0.9
204.04413	1.5
211.13373	6.3
212.13684	1.1
217.12405	5.6
245.11809	3.1
257.11783	2.2
257.15417	2.2
273.14984	3.8
283.13373	80.1
284.13718	8.4
301.14438	95.2
302.14740	7.1
319.15509	78.7
320.15939	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	319.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40292	1.0
55.01870	4.9
57.03427	4.0
57.92430	1.1
58.00575	3.4
59.01372	46.1
59.53276	1.1
60.01704	1.3
63.70927	1.2
65.30807	1.1
66.27617	1.1
69.03455	1.2
69.45303	6.0
69.45710	2.8
71.01373	48.6
72.01677	1.1
72.97514	1.3
72.99294	3.6
73.02939	13.3
74.99095	1.4
75.00859	1.3
83.01374	10.1
85.02942	26.9
86.00137	2.1
87.00854	4.1
89.02436	18.6
95.01363	2.9
96.95998	3.9
98.20644	2.0
99.00844	6.4
99.04459	1.6
101.02431	44.0
111.00845	2.0
113.02438	20.4
119.03487	8.2
120.99609	1.9
125.02425	8.1
129.01921	1.8
131.03464	2.0
135.98236	1.1
139.00972	1.1
139.07590	1.7
143.03456	1.6
147.42725	1.2
157.08702	5.5
158.33539	1.3
159.02957	1.6
161.04539	8.9
163.03995	1.5
187.02440	3.8
211.26840	1.1
223.04556	2.2
231.10841	1.2
275.14957	8.9
290.45499	1.1
301.12909	1.3
319.13934	100.0
320.14322	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	319.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.40668	0.5
57.03443	7.8
58.00589	2.3
59.01372	55.8
60.01701	0.6
63.02373	0.6
65.00310	1.7
70.89970	1.2
71.01375	33.1
72.99306	3.8
73.02943	2.8
74.99079	1.7
80.96481	0.6
83.01383	5.8
85.02940	11.3
87.00858	1.8
88.09426	0.5
89.02435	28.9
93.03423	1.1
95.01380	3.8
95.05000	0.5
96.95983	1.9
99.00863	1.1
99.04494	1.1
101.02430	21.5
102.02730	0.7
107.01351	2.8
109.02926	3.4
111.00849	0.8
113.02441	12.3
114.02802	0.6
117.97269	0.7
119.01531	0.6
119.03484	12.3
120.99657	0.7
121.02952	1.6
123.00848	2.4
124.01626	2.1
125.02434	40.8
126.02750	0.8
129.01924	0.8
131.03445	0.6
135.98317	1.6
136.99115	0.8
137.02419	7.2
139.03969	3.3
139.07635	13.7
143.03537	1.1
143.04916	0.6
147.00891	3.4
147.04424	0.6
149.02429	1.3
151.00345	7.8
152.01056	1.0
153.01904	4.9
155.03429	1.1
156.36293	0.5
157.08649	2.8
159.04393	0.8
161.04538	1.9
163.03937	0.8
165.01891	7.6
166.02594	1.0
167.03500	4.7
169.01393	0.6
173.02504	0.6
175.00348	13.6
176.00920	1.4
178.99831	8.5
179.05589	1.2
180.00191	1.0
181.01329	1.1
183.04794	0.5
185.05849	0.6
187.02435	2.5
187.03955	1.2
190.02684	0.9
191.01978	0.6
191.03484	10.1
193.01390	66.2
194.01726	4.3
196.06064	0.6
201.05473	1.0
205.03357	0.7
205.05090	1.2
213.05472	0.8
215.03491	5.8
216.03793	0.7
224.04138	0.5
229.04994	0.6
233.04550	1.7
257.04504	5.8
283.02509	0.6
301.03442	5.9
301.12726	0.7
302.03625	1.1
319.13931	100.0
320.14267	8.0
343.70126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
58.00579	2.0
59.01374	69.0
60.01696	0.8
64.55979	0.8
71.01372	35.4
72.99290	1.8
73.02927	1.3
83.01376	1.6
85.02941	6.3
87.00863	1.7
89.02436	40.1
90.02749	1.1
90.89841	0.7
95.01373	3.2
101.02431	21.9
103.04047	0.8
113.02431	15.5
119.03500	15.9
127.02149	0.8
131.03496	1.8
143.03432	1.7
149.04454	1.1
161.04579	1.2
179.05576	1.6
319.10284	100.0
320.10635	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	319.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.5
56.45387	1.0
56.63519	0.9
57.03455	4.8
57.81628	1.0
58.00591	1.7
59.01374	48.8
63.96250	1.2
69.03448	1.6
70.89867	2.4
71.01376	52.6
72.99298	3.2
73.02939	19.6
73.65955	0.9
83.01382	10.9
85.02939	30.0
86.00101	1.7
87.00870	3.7
89.02441	12.4
94.61122	1.0
95.01364	5.2
96.96022	2.1
97.02930	1.3
99.00880	7.6
99.04522	1.4
101.02436	54.4
111.00846	2.4
113.02431	19.4
119.03494	5.0
120.99551	0.9
125.02428	5.7
129.01851	2.2
131.03503	1.2
131.07146	1.3
135.98351	1.1
139.07637	1.7
143.03493	2.2
157.08704	4.0
159.02994	1.9
161.04535	10.6
162.04907	1.1
187.02473	2.4
203.16542	1.0
203.88216	1.0
209.73520	0.9
223.04605	1.0
262.88458	1.2
275.15048	11.5
276.15262	1.2
301.92856	0.9
319.13931	100.0
320.14236	9.0
323.80460	1.0
332.45206	1.1
342.01642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
69.71871	4.4
71.05010	8.3
78.42169	0.7
80.62637	0.6
88.26012	0.6
89.02447	0.7
90.87945	0.7
95.05016	18.8
96.05322	0.7
96.96022	1.6
97.02938	24.9
98.20594	1.3
101.02420	0.7
109.02949	14.6
115.04001	4.7
137.02437	2.1
139.03998	63.7
140.04303	2.6
153.01917	26.5
154.02269	1.5
165.01917	10.5
183.02960	100.0
184.03325	4.1
234.11156	0.7
275.98706	0.7
319.04526	1.1
319.08514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	19.5
60.04124	11.7
61.20937	11.2
67.52068	11.5
68.17398	12.0
70.63501	28.3
70.63845	16.4
83.79609	11.1
89.02445	14.6
101.02395	14.1
109.73423	10.5
134.51141	13.9
141.00311	12.2
207.26820	12.4
218.69943	13.5
225.94527	11.5
283.10318	72.3
319.08020	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	319.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91735	0.8
56.33608	0.8
58.00582	1.4
59.01374	69.8
70.88573	2.4
71.01377	39.4
72.99296	2.7
73.02930	1.1
74.21408	0.9
82.20506	1.0
83.01367	1.7
85.02960	6.2
87.00845	1.4
89.01907	1.8
89.02441	34.9
95.01366	3.2
98.90326	1.0
101.02435	23.3
107.15172	1.0
113.02437	14.3
119.03491	15.5
131.03455	1.3
138.25121	0.8
143.03488	2.0
161.04501	1.2
164.75085	1.1
169.44936	1.1
179.05586	2.0
187.37929	0.9
198.70126	1.0
283.10147	1.1
319.10309	100.0
320.10690	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	319.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90993	0.5
52.88328	0.5
55.01864	1.8
57.03455	1.2
59.01380	4.5
65.00784	0.5
65.61144	0.5
69.03439	0.7
69.67819	2.9
71.01361	2.5
71.05013	8.4
73.02935	0.7
83.01381	1.2
83.05019	0.7
85.02942	9.3
87.00880	0.5
89.02441	1.2
93.03441	1.4
95.05016	18.2
96.05384	0.6
96.95996	2.4
97.02942	28.0
98.03297	0.5
101.02438	1.9
101.06065	2.7
108.02084	0.5
109.02937	15.2
111.00902	0.6
111.04518	0.6
113.02441	1.0
115.03989	3.1
117.03434	1.2
120.99651	1.2
121.02908	0.8
122.62237	0.5
125.02433	2.2
129.01912	1.5
136.04042	0.6
137.02411	2.1
139.04004	62.2
140.04367	2.8
145.02933	2.6
153.01929	27.2
154.02243	1.5
157.08679	0.7
161.04556	0.6
163.03996	1.0
164.03500	1.0
165.01913	9.5
170.64984	0.6
183.02966	100.0
184.03331	4.2
189.06721	0.7
191.01939	2.8
193.01352	2.5
196.06096	0.9
209.03017	1.8
257.04367	0.6
277.87482	0.5
319.04709	0.7
319.08319	1.3
319.14020	1.1
319.17624	1.2
319.21014	0.9
320.11374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	10.0
59.01384	1.1
59.50017	1.3
63.02361	1.4
65.00314	2.4
69.79067	5.4
83.01372	4.2
85.02922	0.8
96.96020	1.0
98.19933	1.6
101.16270	1.0
103.65605	1.0
107.01364	3.5
109.02923	4.4
121.02927	2.4
123.00842	2.8
124.01659	1.9
125.02446	57.6
126.02789	1.7
137.02452	9.1
139.03989	4.4
147.00853	3.7
151.00356	13.3
152.01062	1.5
153.01909	8.2
154.74925	0.9
165.01915	9.8
166.02628	1.5
167.03491	7.5
175.00360	25.3
176.00839	2.3
178.99852	12.5
187.02443	1.1
187.03993	1.4
190.02690	1.9
191.03447	12.3
193.01401	100.0
194.01689	5.9
205.05048	2.3
213.05582	1.5
215.03505	8.0
233.04538	2.9
233.79521	1.1
241.12718	1.1
257.04593	6.2
258.92981	0.9
301.03534	8.7
302.03738	1.0
319.13779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0662
Annotation	Nanaomycin E
Peak:m/z	Relative Intensity
59.01365	5.0
60.05530	1.0
61.10614	1.1
69.37228	10.9
71.01363	3.8
72.99296	8.9
73.02952	1.3
74.48654	1.1
81.03424	2.0
83.05017	6.8
85.02957	1.6
93.03452	1.6
101.02393	1.6
109.02926	1.2
111.04499	9.4
113.02437	1.6
127.00354	1.1
132.28802	1.2
137.02461	1.9
151.00282	1.3
152.56631	1.3
155.03479	7.6
159.04489	2.8
165.01862	1.7
167.04962	4.7
169.01799	1.1
181.06567	15.0
183.08118	2.0
185.05968	1.4
190.34384	1.4
192.25667	1.1
193.05023	1.8
193.06577	16.9
194.06868	1.9
199.07582	5.7
209.06094	3.3
211.04124	10.7
211.07616	29.1
211.28384	1.3
212.07948	2.5
225.05478	3.1
227.07120	3.6
237.05565	21.0
238.05725	1.5
243.06551	2.8
255.06586	25.4
256.06741	2.0
271.06076	39.7
272.06531	3.5
273.07660	3.9
273.12689	1.2
277.69104	1.2
281.04486	13.3
299.05530	49.1
300.05804	3.8
300.64444	1.1
317.06595	100.0
317.16003	4.0
317.19638	12.3
318.07034	9.9
318.20023	1.8
321.62701	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0873
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
55.01859	1.7
57.03442	1.6
59.01373	7.6
60.59993	0.7
67.05533	1.4
69.03453	2.6
71.01376	20.5
71.62722	0.8
72.99316	1.7
73.02930	6.2
79.75214	0.6
81.03451	9.2
83.01397	2.4
83.05017	80.8
84.05344	2.2
85.02940	9.5
85.06604	1.0
87.00862	1.2
93.03445	12.0
95.01358	2.0
95.05009	1.2
96.96012	1.2
97.02982	1.3
99.00878	2.7
101.02440	8.2
101.06082	4.5
108.02159	1.9
109.02926	4.9
111.04511	100.0
112.04823	3.3
113.02447	9.0
115.07658	0.9
120.99636	1.3
121.02956	0.8
122.06110	1.7
123.00893	1.3
123.04506	3.2
124.01643	1.0
125.02499	1.7
125.06104	3.5
127.04004	5.5
129.05569	11.9
134.06085	0.9
135.04488	1.4
136.07666	1.7
137.02434	9.0
137.06097	0.7
141.05566	1.5
143.03444	0.8
146.62642	0.8
150.05594	0.7
151.04016	1.2
151.07628	1.3
153.05554	1.3
155.03496	67.2
155.10825	1.7
156.03848	2.4
159.02994	1.5
161.04565	9.7
163.04005	1.0
169.05058	1.7
173.04530	10.4
178.05064	1.0
179.03487	1.3
197.04555	5.1
226.24503	0.7
227.08266	0.8
239.05571	1.6
240.09254	1.0
255.11420	4.0
257.06693	1.5
272.06848	1.4
273.12424	14.7
287.09207	4.5
288.09903	0.8
299.07758	3.4
317.03152	1.3
317.08554	15.5
317.19550	7.9
318.09503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2536
Annotation	12,18-dihydroxystearic acid
Peak:m/z	Relative Intensity
59.01361	2.3
61.98841	0.7
66.72157	0.5
69.66560	1.1
69.66971	1.7
78.55123	0.4
79.01921	0.4
87.93871	0.4
90.47248	0.4
95.05020	3.2
108.33736	0.4
127.11216	0.6
129.17897	0.4
141.12830	1.4
171.10327	0.5
186.74490	0.5
201.11377	0.4
217.00270	0.8
217.07211	0.7
237.22150	0.8
239.23743	8.2
240.24107	0.6
267.23242	4.7
268.23611	0.6
269.24820	14.4
270.25204	1.7
278.11313	2.6
279.11432	0.4
297.24371	2.4
313.23813	1.8
315.25342	100.0
316.20111	0.6
316.25677	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	316.1187
Annotation	3-O-demethyltazettine
Peak:m/z	Relative Intensity
59.01374	0.4
69.44342	1.9
69.44762	1.2
71.01366	1.3
72.99299	6.7
80.22344	0.4
90.62775	0.3
92.05038	5.7
92.82461	0.4
96.95999	0.6
99.00865	2.9
117.01905	0.5
118.06627	3.3
119.48795	0.4
120.04539	17.6
120.08196	0.7
121.04856	0.8
125.71360	0.4
128.05055	8.7
129.05367	0.6
130.06607	41.9
131.06937	2.1
144.04515	1.0
146.06087	1.7
172.04037	1.3
185.10013	1.0
186.10382	1.3
192.06638	3.5
210.07681	100.0
211.08034	5.8
215.07228	0.5
219.00677	0.5
262.24921	0.4
316.11810	6.2
316.17841	0.4
317.01181	0.8
317.19415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19324	1.6
58.20483	1.8
59.01373	39.0
61.98836	2.3
62.22015	1.9
70.67236	3.5
71.17806	1.7
75.00866	6.1
83.05014	1.9
108.02162	1.7
174.99222	2.2
217.00278	4.2
235.20663	6.3
237.18542	2.3
253.21696	34.1
255.19623	75.0
256.20032	3.3
287.22263	4.5
288.22610	2.3
297.20731	10.8
315.21780	100.0
315.25308	9.5
316.22113	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	315.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71741	0.4
58.80802	0.3
59.01377	2.0
61.15676	0.4
61.98819	0.9
68.57365	0.3
70.83155	0.9
83.05022	0.4
108.14639	0.4
153.27818	0.4
181.97214	0.4
217.00269	0.8
223.20647	1.0
225.22162	1.1
235.20633	5.1
251.20183	1.5
252.20383	0.4
253.21700	22.8
254.22015	2.1
254.85637	0.4
269.21185	34.2
270.21552	3.7
279.19580	0.9
297.20648	2.5
315.21729	100.0
316.22043	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	315.2537
Annotation	(9S,10S)-9,10-Dihydroxyoctadecanoate
Peak:m/z	Relative Intensity
56.82837	0.9
59.01375	65.4
71.62006	0.9
75.00847	3.7
90.45838	0.9
97.33308	1.0
217.00146	1.8
232.99622	1.1
239.23656	1.0
251.23654	2.3
255.23001	1.2
257.21164	1.8
297.24365	4.9
298.24371	1.1
313.23819	1.6
314.95544	1.3
315.25266	100.0
316.25708	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2535
Annotation	(9S,10S)-9,10-Dihydroxyoctadecanoate
Peak:m/z	Relative Intensity
59.01370	4.0
60.62331	0.6
71.62577	1.0
71.62968	0.8
80.49959	0.6
83.05026	0.8
88.98714	0.7
92.48776	0.7
105.22392	0.7
108.02149	0.7
120.27181	0.7
146.26816	0.6
155.14363	1.2
173.38889	0.6
181.87309	0.6
217.00224	1.6
232.99834	0.9
251.44566	0.7
254.85605	0.7
255.05386	0.8
269.24741	0.7
297.14590	0.7
297.24289	2.3
313.23682	1.4
315.07581	1.2
315.25323	100.0
316.25659	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	315.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99596	4.0
59.01379	4.3
66.59494	0.3
71.01399	0.4
71.63132	0.5
78.99245	0.3
87.00854	1.6
91.65649	0.3
96.96017	0.7
102.98589	1.1
113.02444	0.4
137.09706	0.5
161.04507	0.4
183.08437	0.5
183.67084	0.4
185.10028	100.0
186.10368	6.0
225.14911	0.3
255.10564	8.0
256.10910	0.9
273.11630	20.7
274.11911	2.3
315.04724	0.3
315.09033	0.6
315.12662	10.2
315.18332	0.7
315.21533	0.5
316.12982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1809
Annotation	Linalool glucoside
Peak:m/z	Relative Intensity
50.62090	1.2
57.03447	3.8
59.01375	5.6
62.95975	1.2
71.63049	1.6
81.24647	1.1
83.05029	2.6
89.92313	1.2
95.05029	1.6
96.96009	2.1
97.06580	13.7
97.23153	1.3
99.08146	1.8
108.02218	1.8
111.08186	6.4
123.04534	1.5
123.08163	7.9
125.09711	100.0
126.10050	5.3
127.07632	3.5
143.10748	2.8
145.08673	16.8
149.96199	1.2
159.10246	1.9
165.01883	1.3
169.08696	2.0
173.08191	1.3
187.09747	44.3
188.10069	1.6
217.00291	1.2
235.20590	5.6
243.19630	20.3
244.20029	2.0
253.18095	4.6
279.19598	4.0
297.17059	6.1
297.20663	4.3
315.12390	4.6
315.18079	86.1
315.21738	21.0
315.25348	2.0
316.18417	9.1
316.21771	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0718
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.45805	0.4
55.01843	0.5
55.84597	0.5
57.08684	0.4
59.01355	0.7
70.61636	1.3
71.01369	2.1
73.02947	0.9
81.03458	0.9
84.86578	0.4
85.02942	2.1
88.93562	0.4
95.01368	1.6
101.02441	0.8
108.02163	100.0
109.02977	28.8
110.03288	1.6
113.02422	0.8
121.02946	1.0
121.81420	0.4
123.00957	0.6
123.04505	1.2
133.02951	0.6
135.04439	0.6
151.04025	1.5
152.01134	69.2
153.01930	28.4
154.02289	1.1
156.46660	0.4
163.04013	1.4
165.01926	2.8
297.13635	0.5
315.07178	81.5
316.07513	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	315.1082
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.67967	0.2
54.80167	0.3
58.66456	0.3
59.01363	0.4
63.26389	0.3
70.92200	0.7
72.40612	0.3
74.99097	0.5
83.01398	0.3
85.02926	1.5
86.59656	0.3
87.03373	0.3
95.05018	0.5
108.02143	0.7
109.02948	1.7
111.11760	0.3
111.43404	0.3
120.99644	4.8
121.02990	0.4
122.03749	0.8
123.04513	68.4
123.46896	0.3
124.04854	2.6
134.03723	1.2
149.06039	1.1
150.34848	0.3
152.01178	0.5
153.02177	1.5
153.05556	100.0
154.05887	4.1
252.88985	0.3
315.07080	0.9
315.10822	2.5
316.11072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87769	0.8
69.88174	1.8
84.40962	0.4
88.60519	0.5
117.37943	0.5
120.99650	100.0
121.99979	2.3
134.03737	23.5
135.04048	1.1
149.06078	21.1
150.06435	0.7
173.36929	0.5
178.02649	1.1
193.05055	5.1
242.38777	0.6
309.97440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37752	0.5
69.95148	1.9
69.95545	1.1
91.01826	0.6
108.02166	14.9
109.02944	100.0
110.03304	2.8
112.98714	0.7
123.00852	1.7
123.04511	1.6
151.03935	0.9
152.01141	19.0
153.01930	75.0
154.02246	3.3
199.48907	0.5
200.97816	0.6
259.08832	0.5
272.88278	0.5
286.96161	0.5
315.07184	89.5
316.07495	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	315.0717
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.34449	0.4
64.08238	0.4
66.99004	0.5
69.03466	0.5
69.91496	2.2
70.35893	0.4
71.01365	1.7
73.02924	0.9
77.08539	0.5
81.03471	0.7
83.01390	0.5
85.02929	1.9
94.24059	0.5
95.01375	1.0
98.20600	0.6
101.02430	0.7
108.02161	91.7
109.02951	49.3
109.03538	0.4
110.03273	1.6
121.02929	1.0
123.00861	1.0
123.04524	0.8
135.00833	0.6
151.03979	1.7
152.01131	62.4
153.01921	39.9
154.02219	0.8
163.03995	0.9
165.01891	1.7
195.02968	0.8
277.79526	0.5
315.07169	100.0
316.07550	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	315.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	1.5
71.17349	0.9
71.17676	1.0
73.02942	0.6
78.06918	0.6
81.03439	1.0
83.01395	0.7
85.02953	2.3
90.37299	0.6
93.03477	1.0
95.01383	0.8
98.19883	0.8
101.02426	1.0
103.22523	0.6
108.02164	90.6
109.02954	48.0
110.03313	1.1
113.02433	1.2
121.02952	1.5
123.00888	0.7
123.04524	1.6
133.02953	1.0
136.01741	0.7
139.15451	0.7
142.13379	0.6
151.04033	1.7
152.01140	63.6
153.01933	39.2
153.05527	1.5
154.02214	1.3
163.04010	1.4
165.01932	1.7
248.95485	0.6
257.85498	0.8
280.64081	0.6
298.03119	0.6
315.07175	100.0
316.07480	8.9
328.41299	0.6
338.43503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2381
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.98225	0.6
52.92137	0.5
54.56684	0.6
54.95334	0.5
59.01373	100.0
60.01712	0.9
61.98837	0.7
68.17632	0.5
71.62595	0.6
74.99083	2.9
85.02935	0.7
89.02467	0.5
91.02200	11.2
93.00136	1.9
95.30875	0.5
101.02440	0.6
105.29218	0.5
121.02930	0.8
167.40013	0.6
172.25507	0.6
225.22107	1.5
253.09256	1.6
253.21666	5.4
267.23212	1.7
271.22751	43.0
272.23154	4.3
286.99356	0.5
295.22870	0.9
313.20129	1.1
313.23795	23.5
314.24081	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	313.2381
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
55.65266	0.6
59.01375	100.0
61.17709	0.6
61.98829	0.9
69.40288	3.9
69.40707	1.3
71.01385	0.9
75.00879	0.8
85.02959	1.1
98.20573	1.2
101.02449	0.7
121.02973	0.8
207.28589	0.6
216.25816	0.7
225.22182	1.2
253.09267	1.9
253.21680	5.2
254.21840	0.8
271.22748	43.3
272.23157	4.0
313.17661	2.4
313.23819	21.2
313.27216	1.2
314.24142	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	313.2381
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.10670	0.3
56.65303	0.3
57.03423	0.7
70.36842	1.2
98.08023	0.3
98.19940	0.5
113.91961	0.4
125.98125	0.3
126.99172	0.3
191.01839	0.4
223.20520	0.4
235.20518	0.4
249.22144	1.0
251.23756	73.2
252.24121	6.3
269.24893	2.0
295.22745	26.2
296.23090	2.9
313.23798	100.0
314.24149	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	313.2745
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
59.01372	3.9
69.41805	2.3
70.84760	0.3
71.01379	0.3
79.78057	0.3
85.02943	0.6
92.90143	0.3
95.57962	0.3
98.20586	0.6
113.02406	0.3
121.02970	0.4
150.84302	0.3
185.00830	0.4
241.94731	0.3
253.21677	0.7
267.26859	4.2
271.22772	1.2
295.26364	1.1
311.25815	0.5
313.27435	100.0
314.27777	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0925
Annotation	Pungenin
Peak:m/z	Relative Intensity
51.30049	0.5
55.01871	2.6
57.03442	13.8
59.01369	9.1
64.69035	0.5
68.99800	0.9
71.01376	7.7
71.15907	1.1
72.99295	1.9
73.02946	2.3
75.00854	2.3
83.01367	2.6
84.02141	2.6
85.02943	100.0
86.03273	2.2
87.00879	1.4
89.02428	1.3
93.03450	5.8
94.45050	0.5
99.00864	1.0
101.02426	4.5
103.00358	2.0
107.05017	1.5
111.00863	3.4
113.02420	1.8
115.00342	0.9
120.99642	1.1
121.02940	6.8
122.56682	0.5
123.04488	1.7
129.01926	9.1
130.02347	0.5
135.04483	1.0
147.01814	0.7
147.02975	13.4
149.02383	1.6
151.03996	9.3
161.04564	1.6
173.00848	1.5
184.79102	0.5
189.14474	0.5
191.01953	19.5
192.02310	1.0
231.27458	0.5
313.05658	1.9
313.09207	19.7
314.09497	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	313.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40268	0.4
54.82242	0.4
58.99598	18.2
59.01374	3.5
71.36263	0.7
74.99093	3.5
76.76131	0.4
83.07302	0.4
85.02945	0.6
87.16776	0.4
99.19302	0.3
102.98587	100.0
103.98916	1.6
112.73672	0.4
120.99644	2.0
125.02374	0.4
163.00693	2.3
183.08434	1.0
186.26793	0.4
205.42932	0.5
210.65163	0.4
313.03546	0.6
327.71985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0714
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01361	0.7
67.26892	0.2
71.01355	0.3
71.25620	0.4
73.02956	0.2
75.00883	0.2
77.03957	0.4
85.02953	0.3
89.44269	0.2
91.94090	0.2
93.03455	0.3
96.96032	0.2
108.02175	0.2
111.21661	0.2
113.02477	0.3
121.02942	100.0
122.03275	4.4
164.42848	0.2
180.05835	0.9
181.06566	4.8
182.06918	0.3
187.45178	0.2
225.05530	6.7
226.05867	0.6
253.09242	0.7
269.08206	0.3
312.22702	0.3
313.07129	19.4
313.20120	0.5
313.23730	1.1
314.07544	1.7
323.33475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0713
Annotation	Sophoracarpan B
Peak:m/z	Relative Intensity
50.30706	0.7
55.63305	0.7
59.01370	5.6
60.01698	0.7
63.02386	5.8
65.00317	2.8
70.82891	1.7
70.83264	0.7
71.01364	0.7
82.83047	0.7
85.02944	2.1
102.98589	0.8
107.01382	3.1
119.01379	0.8
119.05011	1.8
121.02959	2.3
122.11647	0.7
143.04991	4.8
145.02928	2.2
147.00829	1.1
165.07025	1.5
180.05827	1.1
181.06516	1.3
185.06140	0.9
197.06032	4.4
205.16519	0.8
209.06017	5.3
211.04004	1.0
253.05019	100.0
253.09328	3.2
254.05374	9.5
258.91110	0.8
269.21191	0.9
271.06042	7.1
298.04654	0.8
299.76953	0.8
313.07126	43.9
313.17322	1.5
313.20395	1.5
313.23352	5.6
314.07468	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
57.03442	14.2
59.01371	7.0
60.54015	0.5
67.01887	0.8
69.94048	2.1
71.01364	3.3
72.99304	1.5
73.02935	1.1
75.00875	0.7
83.01369	1.5
84.02175	2.8
85.02941	100.0
86.03278	2.2
100.72250	0.5
101.02448	1.8
103.00373	1.7
108.02135	0.7
109.02968	1.0
109.84232	0.5
111.00880	1.4
115.00440	0.6
121.02956	5.9
129.01936	10.1
147.02975	15.0
151.03976	1.3
151.07590	1.6
167.84880	0.5
173.00926	1.2
184.04045	0.5
189.05569	0.6
191.01953	18.9
192.02133	0.8
313.05600	2.2
313.12897	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	312.9844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22580	0.4
56.33400	0.4
59.01387	2.1
62.82275	0.4
71.01383	0.5
71.63103	0.6
77.70569	0.4
79.34353	0.4
79.95716	0.5
85.02950	3.0
89.02430	0.6
102.98589	2.3
110.44120	0.4
121.02992	0.4
131.35835	0.4
147.02977	0.7
149.09630	0.5
151.07649	0.5
161.00674	0.6
162.01411	2.9
165.07364	0.5
183.08482	2.4
188.17001	0.4
189.00163	0.5
190.00917	9.0
191.01422	0.5
218.00392	100.0
219.00722	7.3
225.05586	1.1
233.02736	85.3
234.03065	6.6
253.09209	0.7
269.04422	3.4
270.04898	0.6
275.45871	0.4
312.98422	33.4
313.03452	2.5
313.11053	0.9
313.98648	2.9
318.51669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54115	2.2
55.99641	2.3
58.99606	11.5
59.01366	6.6
69.44878	5.4
69.45280	11.5
72.99310	2.2
74.99088	2.6
80.22752	2.3
85.02959	17.6
87.00874	5.7
97.31360	2.0
102.98592	100.0
119.05043	5.4
120.99632	9.9
123.08248	1.9
125.02447	4.0
125.53554	2.4
127.00446	2.4
129.01862	2.4
139.02168	7.1
146.44763	2.2
163.00706	13.7
165.01794	2.7
193.01353	6.3
202.82855	2.0
206.41660	2.4
253.08998	2.8
313.07150	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08652	0.9
56.02577	0.9
57.03448	1.2
59.01377	1.5
70.62408	2.8
70.62762	1.4
117.50316	1.2
121.10222	1.2
125.09713	2.3
127.11288	6.1
128.82272	0.9
139.11261	11.0
155.10780	3.2
171.10249	61.2
172.10582	2.5
183.10260	4.4
185.11813	11.0
197.11726	1.6
201.11311	9.5
211.13397	1.6
253.91916	1.3
262.28845	1.1
275.19904	5.1
293.21210	13.9
311.22247	100.0
312.08215	1.1
312.22540	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	311.2224
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
53.83562	2.1
54.27333	1.7
57.03426	2.8
59.01371	24.5
59.01638	3.5
70.76669	3.9
79.95717	2.1
84.99591	2.0
88.62202	1.9
100.15721	3.0
110.70007	2.0
125.09689	8.8
133.90938	2.3
139.11194	2.7
141.12871	3.0
148.56833	2.0
149.09698	3.5
151.27672	2.2
155.10699	4.6
170.00496	2.7
171.10205	3.3
183.01172	42.9
185.11847	22.3
197.02731	8.5
197.11768	6.8
212.39944	2.0
249.22141	6.7
251.11160	2.7
267.23148	3.6
293.21179	87.4
294.21481	6.4
311.16803	100.0
311.22330	11.2
311.25861	4.9
311.29422	2.8
312.17114	8.8
314.48019	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2588
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
57.03413	0.7
59.01370	7.9
61.98815	0.6
76.20919	0.6
79.95731	0.5
101.02411	0.5
107.58506	0.6
116.81956	0.5
135.08148	1.1
141.89012	0.5
160.46596	0.5
161.09683	0.7
163.11206	0.6
171.79932	0.6
173.38724	0.6
183.01184	18.7
184.01758	2.3
197.02863	0.8
216.00960	1.1
222.33658	0.5
224.42581	0.6
251.11336	1.1
251.23747	1.5
267.26978	1.0
293.21228	0.9
311.16837	34.7
311.25873	100.0
312.17255	3.6
312.26254	11.8
334.92310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.60431	0.9
56.92515	0.9
57.03448	1.7
59.01373	5.2
65.62056	1.1
70.52158	3.3
83.05019	1.7
88.02216	1.1
99.08176	1.4
101.04530	1.1
113.09722	2.6
121.10236	1.4
125.09734	1.8
127.11261	2.3
139.11287	12.2
155.10741	1.1
171.10262	34.4
172.10504	1.3
183.10316	1.3
183.13899	1.0
185.11774	4.1
193.12270	7.9
197.11830	1.4
201.11279	2.8
201.40903	0.9
211.13383	6.7
221.59431	1.1
249.22308	1.2
275.20026	1.9
282.29468	1.0
293.21191	17.1
294.21454	2.4
311.22244	100.0
312.22571	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	311.2224
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.21815	0.8
53.88786	0.9
55.45162	0.9
57.03435	2.5
57.36846	0.8
70.93231	1.4
84.74915	0.8
85.07578	1.0
85.34534	0.8
88.98775	0.8
95.79503	0.8
102.12785	0.9
121.10199	2.2
123.08127	1.1
125.09694	3.1
127.11269	5.5
136.39056	0.9
136.58914	0.8
139.11276	17.5
141.12849	0.8
145.54817	1.0
151.11264	1.0
155.10760	3.1
162.35410	0.9
165.09258	0.9
167.10626	1.0
171.10243	79.5
172.10562	3.8
183.10251	6.0
185.11803	18.2
190.05309	0.9
201.11285	14.1
213.11331	1.0
275.20068	5.2
285.94641	1.0
293.21207	23.5
294.21429	3.7
311.22229	100.0
312.22659	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
59.01374	100.0
60.01708	0.6
69.97823	2.5
69.98176	0.9
71.01385	2.5
73.02943	0.9
85.02953	1.7
96.96026	0.6
101.02441	1.6
105.33944	0.5
113.02421	1.0
161.04578	1.7
189.05608	0.6
198.04477	0.6
251.11339	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	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01704	0.8
61.98824	1.5
70.93816	1.8
71.01378	7.5
73.02943	3.7
83.01389	1.1
85.02953	3.8
87.00883	0.8
89.02442	3.5
95.01387	0.7
99.00880	0.9
101.02431	8.5
113.02444	4.0
119.03476	0.8
122.96188	0.6
124.16635	0.7
124.80775	0.7
127.05286	0.6
143.03540	0.8
150.05614	0.7
159.02931	0.7
161.04564	8.2
172.66411	0.7
189.05557	0.8
191.68282	0.8
199.24158	0.6
251.11346	21.6
252.11781	0.8
311.12659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03436	1.5
59.01375	1.9
67.07698	0.8
70.64693	0.8
71.57719	1.0
71.58045	0.8
72.17529	0.7
83.05009	1.2
89.93068	0.8
97.02930	1.3
97.06601	1.5
99.08149	0.9
106.47997	1.0
113.09700	6.2
121.10233	2.8
125.09670	1.9
127.11351	1.8
137.09601	0.9
139.11270	23.7
151.85100	0.8
153.09213	1.2
155.10799	1.6
165.12871	0.8
167.10716	1.1
171.10249	35.1
172.10597	2.0
185.11803	1.8
193.12422	2.0
195.13817	0.9
201.11327	0.9
205.07164	0.8
211.13408	4.2
249.22261	1.3
264.61264	0.9
275.20062	1.5
293.21191	23.6
294.21585	2.7
311.22247	100.0
312.22595	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	309.2068
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03438	4.8
59.01373	6.1
69.03492	2.1
69.41466	14.9
71.01357	1.8
72.27368	1.9
73.80869	2.0
76.30737	1.8
80.02669	5.7
84.02179	1.9
91.50876	1.8
98.19916	4.4
123.08170	16.6
125.09731	18.1
127.11263	6.8
135.08093	2.2
137.09732	15.0
139.11288	8.6
141.12811	2.2
151.07587	1.9
153.09187	1.9
155.10771	43.1
167.10768	6.9
171.10252	100.0
172.10593	4.5
185.11813	92.9
186.12201	3.3
193.15929	1.9
199.50467	2.1
209.15504	4.6
212.10503	4.6
247.20593	4.1
263.20108	8.3
265.21707	2.8
273.18585	4.2
281.21146	16.1
291.19626	32.9
292.20013	3.3
293.08975	6.7
309.17218	5.3
309.20624	47.3
310.21106	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00563	1.6
59.01365	1.8
70.05930	6.4
87.87659	1.3
93.07052	1.9
94.48643	1.3
98.19833	1.8
111.08146	35.8
127.07668	1.5
136.67264	1.2
137.09683	1.7
169.12349	7.5
171.10231	6.7
183.13857	1.8
193.12332	2.3
197.11807	100.0
198.12160	7.1
199.13338	3.7
209.15399	6.6
211.13364	11.3
223.16925	3.5
227.13051	2.2
229.34973	1.4
233.15410	1.6
247.20447	1.7
251.16481	4.4
263.20123	4.9
265.18188	2.4
273.18591	2.7
291.19653	27.2
292.19995	2.8
309.17111	2.4
309.20679	42.9
310.20963	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	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01704	0.9
61.98843	1.2
69.65523	4.1
71.01375	7.1
73.02959	2.1
75.00850	0.9
83.01365	1.6
85.02930	3.3
89.02447	2.9
98.20625	0.9
99.00897	1.5
101.02434	9.4
102.02785	0.9
102.30963	0.7
113.02442	4.7
143.03479	0.7
161.04562	6.9
170.93210	0.6
189.05650	0.8
239.75197	0.7
251.11336	24.4
251.13956	1.2
252.11713	1.7
311.12607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14924	1.1
57.03438	1.8
59.01367	3.0
67.01893	1.7
69.03455	1.7
69.35818	9.7
71.01377	1.3
71.05021	2.7
72.97379	1.1
80.02667	10.9
81.03446	4.3
83.05019	29.9
84.02158	10.8
87.12392	1.0
95.05010	2.3
97.06575	4.0
99.08158	7.3
107.14741	1.3
109.06576	4.0
110.03677	1.2
111.08171	1.9
113.09728	2.9
115.07644	5.4
123.04545	2.8
123.08090	1.2
125.09694	4.8
127.11235	7.1
135.08162	2.6
137.09709	54.9
138.10014	1.8
139.11278	9.3
151.11272	5.7
153.09180	9.4
154.79912	1.0
155.10754	56.1
156.11130	3.4
163.11290	1.4
165.12804	1.4
167.10762	5.0
167.14519	1.6
169.12273	1.9
171.10246	61.9
172.10678	2.3
185.11768	1.5
193.10661	2.1
193.12312	30.5
194.12598	2.1
195.13838	1.6
196.37898	1.1
203.14389	1.3
209.11777	3.6
211.13403	5.6
227.62262	1.0
247.20705	7.7
263.20105	6.0
265.21683	6.8
273.18585	2.5
291.19629	100.0
292.19965	10.9
309.20670	87.1
310.21005	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88753	10.2
57.03428	13.8
59.01373	12.1
70.24961	33.8
97.06586	15.2
98.20583	15.0
102.92336	11.9
119.08644	26.0
121.10206	86.6
122.10683	13.2
123.08058	15.2
125.09706	50.9
131.58994	10.1
135.08095	12.7
162.03709	12.3
166.80766	10.4
171.10289	54.5
185.11838	95.0
197.11824	16.9
273.18600	24.6
275.20142	18.4
291.19690	100.0
309.20624	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.0
59.01375	6.9
62.81924	2.2
67.22015	2.2
69.03459	2.2
71.05019	31.0
71.22006	5.4
86.75075	2.0
97.06575	9.3
105.76340	2.0
111.08102	2.0
119.08607	2.3
121.10208	6.0
125.09693	6.1
127.11275	3.1
137.09718	38.3
147.36188	2.5
156.77284	2.1
171.10262	93.9
172.10599	5.3
181.12218	2.5
185.11807	8.3
197.11769	4.2
207.17607	2.3
233.15532	4.0
235.17050	5.1
237.14929	5.0
239.16498	3.4
248.91856	2.5
251.16498	27.7
273.18643	2.6
291.19644	88.3
292.19958	9.1
309.20685	100.0
310.20844	10.0
317.95602	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	5.5
70.37034	4.4
83.05009	3.3
85.02948	4.1
91.03397	1.0
97.02941	56.9
98.03294	1.6
110.11092	1.3
111.08128	2.0
119.08632	4.8
125.09690	3.3
135.08096	1.4
137.09714	19.1
147.84734	1.2
152.08418	1.9
171.10242	38.9
172.10619	2.4
177.12758	1.9
185.11847	3.2
195.13821	3.3
211.13275	3.0
221.11732	7.0
225.42200	1.3
239.12849	5.3
247.20657	2.1
273.18597	4.8
274.25348	1.3
291.19629	23.0
292.19962	2.8
309.17444	3.4
309.20657	100.0
310.21030	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
57.31158	1.5
59.01362	3.2
62.61796	1.3
64.42995	1.5
66.89237	1.4
69.03442	4.5
83.05014	2.0
119.08649	19.6
119.78702	1.5
121.10224	1.5
123.08096	1.8
125.09702	8.4
127.11261	3.4
132.08041	1.5
133.02579	1.4
135.08157	2.1
137.09712	31.4
138.10030	2.4
139.11307	2.2
151.11288	2.1
155.10789	3.8
167.10716	3.7
171.10245	100.0
172.10570	6.8
183.10236	5.1
185.11768	24.3
195.10167	1.9
197.11765	1.8
201.11304	6.1
213.11330	10.9
229.19489	3.7
256.75876	1.5
273.18570	12.4
291.19620	31.8
292.20108	3.3
309.20679	73.7
310.20862	7.5
310.94778	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39795	2.0
57.03429	2.8
59.01358	5.4
68.68257	1.9
70.62360	3.1
70.62679	2.5
71.04987	3.5
80.02670	14.3
81.03458	4.5
83.04557	2.4
83.05021	32.4
84.02162	12.7
88.64112	1.7
95.05048	2.2
97.02930	1.8
97.06561	6.0
99.08132	8.0
109.06547	2.2
109.33402	1.7
111.08138	2.1
113.09720	2.4
115.07629	4.7
123.04509	3.8
125.09699	6.1
127.11256	8.2
137.09706	71.8
138.10046	3.7
139.11227	15.8
151.07626	2.1
151.11272	4.1
153.09175	9.4
153.12802	2.5
155.10756	68.2
156.11089	3.8
165.12854	2.9
167.10728	4.2
171.10251	75.6
172.10635	3.3
175.11264	2.1
181.12312	2.0
185.11754	1.9
193.12282	33.0
194.12613	3.9
195.13849	2.6
209.11807	3.8
211.13345	7.5
247.20567	6.1
263.20074	6.0
265.21695	8.5
291.19620	88.2
292.20050	9.1
309.17215	6.8
309.20657	100.0
310.20923	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	309.2068
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.22795	0.6
57.03438	1.8
57.79704	0.6
59.01374	3.9
60.18885	0.6
69.03457	1.3
70.47969	1.1
70.48303	0.9
71.01347	0.8
71.05017	20.9
81.45894	0.6
83.05034	1.1
93.07088	0.8
95.05006	1.5
97.06586	6.5
100.82309	0.7
106.60985	0.6
107.05009	1.4
108.38337	0.6
109.06554	1.0
111.08184	0.7
119.08654	1.9
121.10229	6.9
123.04552	0.8
123.08131	1.9
125.09711	7.3
129.39877	0.6
133.06609	0.7
135.08202	1.6
137.09708	22.3
138.10054	1.0
140.27594	0.6
141.12897	1.0
145.02913	1.3
147.08081	0.7
153.09201	0.9
171.10245	63.0
172.10591	2.3
181.12329	1.9
185.11816	9.8
195.13931	0.8
197.11797	1.9
207.13873	2.1
207.17487	0.9
211.13383	1.0
219.13857	2.6
223.13319	0.9
233.15437	3.2
235.16954	3.7
237.14938	3.4
247.20671	1.6
249.51022	0.8
251.16493	24.5
252.16779	2.4
273.18533	1.4
291.19620	64.7
292.19992	7.2
309.20673	100.0
310.20984	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	309.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81302	0.4
59.01369	2.1
79.95729	8.9
80.96497	0.6
83.51080	0.4
94.98075	0.6
95.95212	2.1
96.96000	81.0
122.97555	2.7
151.03999	0.7
151.07654	1.1
152.08472	0.6
171.10275	0.8
185.11874	0.6
209.15411	1.4
229.08192	0.4
237.81367	0.4
265.25363	2.2
277.20633	0.4
291.19629	1.5
309.17371	100.0
310.17700	8.6
310.21234	0.6
310.25098	0.3
310.72809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.2
58.59945	2.0
58.83398	1.9
59.01379	9.0
65.45477	2.1
70.20810	3.8
70.21200	4.4
80.02657	8.1
84.02158	2.7
97.06559	3.2
98.19932	2.4
100.30108	1.8
123.08105	15.5
125.09712	17.8
127.11246	9.2
137.09706	12.9
139.11282	5.4
141.09264	2.8
151.07677	2.9
152.08421	1.9
155.10765	48.2
156.11024	2.3
167.10762	5.8
171.10251	100.0
172.10539	4.6
185.11806	79.4
186.12080	5.9
209.15356	2.5
212.10434	3.4
247.20602	4.3
263.20010	8.8
265.21606	5.3
273.18567	3.0
281.21167	15.8
291.19632	40.7
292.20016	5.2
303.51981	2.1
309.17065	7.6
309.20605	45.6
310.20963	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01338	0.8
57.03438	1.8
59.01365	2.2
67.01886	1.8
68.08136	0.9
71.07249	2.0
71.07622	1.9
83.05022	1.2
95.05042	1.1
97.06587	1.5
111.08132	2.5
121.10218	7.9
125.09701	7.3
137.09686	6.0
148.01633	1.3
149.11218	1.0
151.39026	1.0
167.14391	1.1
171.10272	14.8
181.92336	0.8
185.11800	10.6
195.13989	1.1
197.11777	2.5
204.35645	1.0
211.13368	57.1
212.13658	3.7
223.13509	1.2
248.67744	0.9
273.18710	0.9
291.19623	100.0
292.20007	8.8
309.20602	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	309.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	3.2
69.03437	5.3
70.89598	2.1
70.89923	1.5
83.05022	2.7
85.02958	3.3
96.60105	1.4
96.61025	1.4
97.02940	25.0
107.08651	1.6
108.05779	1.6
108.95631	1.7
119.08651	18.5
125.09705	9.1
135.08121	2.1
137.08742	2.0
137.09708	36.3
139.11197	1.9
151.11330	2.1
155.10739	4.9
167.10713	3.1
169.12320	1.6
169.42638	2.0
171.10243	100.0
172.10599	6.0
183.10239	4.6
185.11781	25.9
201.11292	6.9
211.13335	2.1
213.11267	6.1
229.19516	3.2
239.12846	4.0
263.85757	1.6
273.18576	7.7
291.19614	29.1
309.20642	61.7
310.21069	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	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69573	1.2
56.00950	1.0
57.03445	1.7
59.01363	2.6
69.03445	7.1
69.94919	6.0
83.05013	3.5
85.02940	3.9
97.02941	50.4
97.06590	2.7
109.06557	2.0
109.38573	1.2
110.51452	1.1
111.08181	1.9
116.42949	1.1
119.08661	3.2
125.09719	3.2
126.09129	1.3
137.09688	13.1
139.11182	1.5
140.54463	1.3
163.11273	2.0
165.12787	5.4
171.10246	28.0
176.91713	1.2
183.13857	3.1
193.12292	2.8
193.15994	2.1
195.13828	3.3
209.12006	2.2
211.13383	3.4
221.11827	2.6
221.15343	2.8
223.13292	1.6
227.12895	3.9
239.12816	3.6
247.20641	3.9
251.16402	2.0
273.18646	4.1
291.19623	64.0
292.19980	7.6
309.20657	100.0
310.21045	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	309.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01368	1.6
69.03445	3.3
90.06080	1.0
93.03522	1.3
95.93595	1.1
98.19831	2.2
105.07324	1.2
107.08650	2.5
119.08661	12.8
125.09687	7.4
127.11293	2.3
135.08147	3.0
137.09706	29.3
139.11241	2.3
149.09642	1.2
155.10791	3.9
166.11899	1.3
167.10762	2.0
171.10251	100.0
172.10628	4.6
183.10263	3.7
185.11806	18.7
195.10229	1.5
197.11816	2.3
201.11230	7.4
211.13448	1.7
213.11263	10.1
229.19565	4.6
263.20096	1.3
273.18524	10.1
291.19635	37.5
292.20001	3.5
309.20688	43.4
310.20938	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
57.03435	1.0
58.00581	2.3
59.01373	54.6
60.01689	0.8
71.01377	27.2
71.05010	2.1
71.27069	1.2
72.01716	0.7
72.99294	2.0
73.02936	5.1
73.34045	0.5
74.81673	0.6
75.00872	1.7
83.01375	2.1
83.05011	2.3
85.02927	6.2
85.06564	1.0
87.00860	1.1
89.02435	23.1
95.01373	1.2
96.96027	0.7
99.00864	1.6
99.04486	1.1
101.02431	17.7
101.06071	4.0
103.00367	0.7
111.04539	1.4
113.02438	8.8
117.01933	6.8
119.03495	9.9
121.82397	0.6
129.05568	11.3
131.03519	0.7
143.03452	0.8
147.06613	14.3
161.04509	1.2
179.05582	1.5
309.11871	100.0
310.12161	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1342
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
52.46303	0.7
59.01376	100.0
60.01714	0.9
69.72308	4.5
90.69649	0.7
96.96014	1.2
98.19871	1.5
161.13361	10.1
205.12320	35.5
206.12701	2.7
223.13435	1.2
249.11348	2.0
267.12219	1.0
277.72287	0.8
309.17261	1.3
309.20728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01373	100.0
60.01720	1.1
70.13063	1.5
71.01363	1.5
73.02946	1.2
74.42700	0.4
80.96535	0.9
83.01395	1.1
85.02946	6.9
96.95986	2.5
98.95608	2.6
98.96444	0.4
99.00899	0.5
101.02439	1.9
113.02503	0.6
121.03014	0.6
144.13445	0.4
147.03008	1.1
147.04486	0.4
161.04552	0.6
161.09758	0.4
163.46214	0.4
174.01700	1.4
180.10213	0.7
191.01962	1.0
217.18719	0.4
227.13011	0.7
248.04396	0.4
249.13391	4.9
265.07269	0.6
272.19208	0.5
295.06128	0.9
309.09644	1.8
310.08673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64931	0.6
52.11715	0.6
55.43709	0.7
56.18112	0.8
57.03447	0.9
57.31568	0.7
59.01374	100.0
60.01720	1.2
69.86384	3.5
71.01385	2.3
72.99323	1.1
73.02934	1.0
74.16805	0.6
79.95762	2.0
80.96532	1.2
83.01443	0.6
84.43616	0.6
85.02940	3.5
96.96001	88.6
98.95610	1.1
99.08170	0.9
101.02456	1.8
113.02428	1.2
121.02937	3.6
129.09258	1.2
160.02251	0.8
161.04559	0.7
161.90527	0.6
249.13419	4.8
265.07175	3.0
265.10974	1.1
297.28516	0.7
302.04703	0.7
309.10126	36.4
310.10431	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03436	17.3
59.01368	17.5
66.67334	3.1
69.03411	3.9
70.84418	10.8
71.01366	19.5
74.16341	3.1
80.02653	3.7
83.05009	9.1
95.89462	3.3
97.06570	21.7
109.06590	5.0
111.04528	3.5
111.08117	17.0
125.09715	5.9
137.09711	6.9
149.09712	5.2
151.11284	34.7
155.10741	14.6
163.11273	13.4
165.12860	41.7
167.10760	5.8
177.12822	4.3
179.10735	11.8
181.12326	51.7
191.10770	21.7
191.14352	6.1
197.11716	4.6
205.12161	3.9
209.11797	100.0
210.12126	5.7
211.13371	13.2
239.09192	4.7
245.19098	37.3
246.19421	5.2
253.17111	3.7
261.18594	6.7
263.20096	11.8
279.19775	6.4
289.18094	56.9
290.18332	4.7
307.19095	96.1
308.19403	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	307.2277
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.36253	0.3
59.01367	1.5
70.89250	0.4
70.89571	0.5
71.01373	1.0
75.62974	0.3
90.43584	0.3
91.53532	0.3
92.14707	0.3
97.69826	0.3
100.08362	0.3
103.04005	0.6
179.03416	0.5
212.69046	0.3
213.14966	0.5
266.13748	0.3
307.22745	100.0
308.23099	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	307.2275
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
54.37991	1.4
54.51500	1.7
56.14643	1.5
59.01372	21.3
68.42128	1.7
69.57812	9.6
71.01375	6.8
83.05010	2.6
84.94224	1.9
93.70652	1.5
96.96005	4.3
97.06604	1.9
103.04008	2.9
123.08140	2.8
135.04497	3.6
135.86870	1.7
143.44679	1.9
146.02371	1.7
149.09616	2.8
151.11232	15.0
153.12840	3.0
157.05026	2.0
157.92429	1.6
177.12769	4.6
179.03473	4.9
179.14337	3.5
194.85074	1.7
197.11838	11.9
197.86769	1.5
205.15962	3.1
231.21133	4.9
264.73456	1.5
275.20132	78.6
276.20483	9.4
307.15894	3.5
307.19434	4.6
307.22736	100.0
308.23044	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	307.2275
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
59.01367	5.2
60.84686	0.8
61.98832	1.0
70.17445	3.7
71.01379	2.3
97.06548	0.8
99.52073	0.8
101.02423	0.8
120.30753	0.9
125.09681	2.1
130.65721	0.8
130.71805	0.8
135.04524	1.3
145.49150	0.8
177.16481	1.5
179.03477	1.4
185.11842	1.7
199.45416	1.0
231.21126	6.2
275.20117	100.0
276.20425	8.4
307.22733	41.6
308.23026	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81105	1.0
56.98011	2.8
59.01384	5.5
68.64622	1.2
80.96514	1.7
96.96000	15.1
98.19818	4.5
102.98560	2.8
119.05005	1.8
125.34902	1.0
129.09186	2.0
129.15154	1.4
135.02744	100.0
136.03093	3.3
147.03322	2.0
147.04510	37.7
148.04907	1.9
176.04051	3.7
176.54158	1.5
179.01700	80.2
180.02040	3.4
187.02205	7.6
188.02486	1.3
190.72809	1.3
205.03317	4.4
209.21239	1.2
220.68280	1.1
229.14438	1.4
230.11394	1.7
244.53308	1.1
249.02231	2.9
257.94250	1.3
265.11011	1.9
279.06631	1.4
309.03845	1.5
309.10110	11.1
309.13351	2.2
314.11029	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.0
68.86620	1.2
70.31637	4.4
71.01386	6.6
73.02531	2.5
73.02942	45.8
85.02942	2.3
89.02438	5.4
99.00882	5.8
101.02419	3.0
113.02434	2.0
117.01934	100.0
118.02254	3.4
119.03470	2.0
129.05576	2.5
139.45073	1.1
147.06615	3.5
177.54123	1.2
181.77072	1.3
303.85852	1.4
309.11871	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	309.1188
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.37931	0.6
57.03444	1.2
59.01375	100.0
60.01700	0.9
68.32330	0.6
70.75260	1.9
71.01380	15.8
71.05013	1.1
72.99300	1.1
73.02952	2.3
76.23315	0.7
83.01369	1.5
85.02959	4.3
87.00874	1.4
89.02437	19.5
95.01358	1.5
97.65071	0.7
101.02431	12.8
101.06049	3.8
113.02435	6.6
117.01909	1.7
119.03496	8.2
126.19041	0.6
129.05594	3.9
130.08759	3.1
131.03473	0.7
143.03455	1.0
147.06613	18.3
148.07033	0.9
154.47574	0.6
161.04581	2.2
179.05589	3.4
180.36562	0.6
194.92886	1.1
232.14813	0.8
253.34450	0.6
309.11868	52.9
310.12192	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28166	2.3
55.89719	2.4
57.03438	13.4
59.01365	14.0
70.84067	7.0
71.01024	2.2
71.01366	13.4
72.98312	2.3
73.62475	2.2
80.02692	4.3
81.03433	2.5
83.05029	5.0
84.02216	2.4
84.59043	2.5
85.14375	2.5
86.05094	2.3
93.07080	5.0
95.05002	6.6
95.77285	2.2
97.06576	21.2
99.91444	2.2
100.10051	2.2
106.04209	9.7
107.05102	2.1
107.08690	3.6
109.06557	4.2
111.08144	8.1
121.06588	34.3
123.04482	3.6
123.08082	5.4
124.27150	2.1
125.09721	30.5
127.11279	3.6
135.08160	19.8
137.09703	5.4
149.09717	5.3
151.11249	20.5
153.09189	22.6
153.12849	2.6
155.10741	6.1
163.11227	6.9
165.09052	2.4
165.12790	23.5
167.10715	7.5
169.12306	2.9
169.42090	2.5
171.10245	75.2
172.10689	3.3
179.10742	7.1
181.12335	33.7
185.11803	100.0
186.12170	5.9
190.15863	2.6
191.10771	14.4
191.14357	6.7
205.12297	3.0
209.11809	62.5
210.12195	3.4
211.13338	8.9
212.10538	10.5
233.68509	2.3
245.19035	33.1
261.18481	15.3
263.20129	14.1
271.17062	4.3
279.19586	16.4
289.18030	41.8
290.18417	3.9
307.15521	3.6
307.19086	71.0
308.19232	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50695	1.5
53.94938	1.5
55.01858	4.8
57.03434	3.1
59.01368	1.8
65.03956	57.7
66.04324	1.8
71.05015	36.8
71.61945	2.0
73.02338	1.5
79.34223	1.8
83.04984	1.9
97.06581	67.6
98.06923	2.4
100.21146	1.6
109.06565	2.3
115.18913	1.6
119.08649	11.9
121.06585	100.0
122.06900	4.5
123.08144	2.5
125.09715	41.6
126.10016	2.6
127.96763	1.7
135.04558	1.5
135.47430	1.6
137.09642	3.7
139.11263	1.6
141.12840	2.2
145.38779	1.7
177.13396	1.5
185.11815	85.2
186.12079	3.1
204.41042	1.6
209.11809	33.8
210.12138	3.0
211.13368	32.6
212.13724	3.4
235.13368	80.9
236.13699	6.3
250.42194	1.7
262.53558	1.7
289.18115	18.8
307.15625	1.8
307.19125	28.4
308.19403	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	307.1911
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.95740	0.9
55.01867	1.5
57.03447	7.2
59.01373	17.2
61.98829	1.5
67.01856	1.6
69.03436	2.0
71.01369	3.8
71.05002	1.0
80.02666	3.8
81.03439	7.9
83.01376	9.4
83.05008	6.3
84.02173	1.1
93.03442	1.7
95.01375	1.1
95.05016	4.8
97.02955	7.3
97.06574	14.2
98.20614	2.7
103.03996	1.7
106.04233	2.7
107.05017	1.1
107.57257	1.0
108.02123	1.5
109.06591	3.1
110.03747	1.4
111.08138	1.1
112.27864	1.0
117.07076	1.3
118.97279	1.0
119.08662	1.6
121.06559	4.2
121.10219	2.0
123.04527	13.7
123.08171	5.7
123.80019	1.0
125.06046	2.7
125.09707	24.7
127.07603	1.5
132.30710	1.1
134.34627	0.9
135.04515	4.0
135.08139	6.7
137.06067	2.2
137.09705	16.3
137.94052	1.1
138.10065	1.1
139.11307	1.5
141.12788	3.1
142.02701	2.1
147.11723	1.0
149.06073	3.4
149.09689	1.7
150.10489	1.7
151.11227	3.4
154.92804	1.1
161.09625	2.6
162.10414	1.6
163.07642	2.7
163.11261	20.5
165.09079	1.8
165.12811	5.8
167.10728	2.8
171.10194	5.0
173.09720	1.3
175.11365	1.6
177.12860	2.9
179.03462	3.2
179.10735	2.7
181.12355	5.0
185.11792	26.5
186.12025	1.4
191.10793	5.5
191.14391	19.2
192.14700	1.7
207.10228	13.1
208.10532	1.2
209.11812	58.3
210.12202	4.2
211.13435	2.5
217.15901	3.1
218.86591	1.0
225.11333	12.6
226.11882	2.7
227.18163	1.5
245.19049	48.8
246.19456	7.0
247.08107	1.2
247.16925	1.6
262.70001	1.0
263.20139	4.2
271.16916	5.2
279.19638	1.4
289.18054	100.0
290.18402	11.5
307.11755	1.9
307.19101	57.0
308.19345	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	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.2
57.03428	3.7
59.01363	6.9
61.98821	1.4
65.03957	46.3
66.20840	1.3
70.37099	4.2
71.01376	1.3
71.05011	37.2
72.05334	1.6
81.03457	1.2
83.05012	2.6
97.06578	59.2
98.06931	1.5
98.19967	1.5
102.63898	1.0
109.06583	1.8
114.12822	1.1
118.95229	1.2
119.08667	8.5
120.60282	1.0
121.06581	84.4
121.83182	1.1
122.06931	3.3
123.08159	3.4
125.09710	34.7
126.10046	1.8
137.09686	3.0
138.10953	1.1
141.12819	1.7
153.86781	1.0
155.46402	1.0
160.67152	1.0
167.14426	1.3
169.08670	1.0
171.10201	2.8
177.84821	1.3
185.11806	63.8
186.12148	2.6
209.11797	30.6
211.13354	32.2
212.13644	1.9
217.12270	1.4
235.13358	100.0
236.13702	8.5
289.18045	17.7
307.15567	1.6
307.19083	25.1
308.19223	1.7
328.01852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64308	0.5
51.48105	0.5
56.74966	0.5
59.01375	3.4
59.70861	0.4
65.89098	0.5
70.76298	1.1
70.76662	1.1
71.01389	0.8
71.05010	5.5
80.02667	1.2
81.03431	1.9
83.05004	1.6
93.03443	0.6
95.05001	1.5
96.95998	1.0
97.06573	0.6
98.03720	1.5
106.04240	1.2
107.05013	0.8
109.06575	12.1
110.06898	0.7
111.04504	6.0
111.08157	1.7
112.05289	1.2
121.06539	0.5
123.08157	1.6
127.07632	2.9
135.08060	0.5
136.70265	0.5
137.06071	0.7
137.09628	0.9
141.09129	0.6
143.10757	1.5
145.06581	1.9
146.20387	0.5
149.06003	0.9
149.09743	1.4
151.11292	0.6
167.10719	1.7
168.63072	0.5
177.09122	0.5
177.12852	0.9
179.03529	0.8
179.10690	0.7
181.12280	0.7
191.14340	0.7
195.13882	4.4
207.17500	0.8
235.13330	1.9
245.19061	5.3
246.19440	0.6
251.16656	0.7
261.18512	0.6
271.16998	1.7
287.16516	2.1
289.18054	100.0
290.18390	11.1
307.15851	0.7
307.19086	10.6
308.19522	1.4
319.95093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01858	3.2
57.03426	4.4
59.01372	7.5
59.39582	1.1
65.03960	66.1
66.04280	1.7
69.03442	1.9
69.75497	5.4
71.01378	1.6
71.05015	38.7
81.03472	1.3
83.05009	3.5
85.02937	0.9
93.03436	4.5
95.05022	1.7
96.95980	1.3
97.06579	72.9
98.06914	2.2
103.03993	1.1
106.04204	1.1
109.06594	2.4
117.07071	2.4
119.08663	22.2
121.06583	100.0
121.10223	1.2
122.06905	4.7
123.08129	4.6
125.09705	46.8
126.09994	1.8
127.82748	0.9
133.06560	1.1
135.04517	1.4
135.08160	15.4
136.72121	1.0
137.09656	6.4
138.04782	0.9
141.12810	1.7
151.80739	0.9
161.15053	0.9
167.14394	1.3
171.10262	9.6
185.11807	84.3
186.12157	5.0
198.43852	0.9
209.11809	37.1
210.12062	3.7
211.11418	2.1
211.13373	33.1
212.13544	2.4
217.12291	1.7
233.15379	2.0
235.13353	96.5
236.13683	9.3
237.14908	15.9
245.19081	1.4
245.37303	0.9
271.17001	1.4
289.18045	36.5
290.18307	3.5
307.15521	2.2
307.19070	33.1
308.19403	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	307.1546
Annotation	(5R)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
57.03431	1.1
59.01376	2.4
60.26775	0.3
67.31677	0.3
67.40985	0.3
69.03451	0.8
71.01379	1.0
71.63437	0.4
75.00883	0.6
80.63887	0.3
81.03451	0.9
83.01375	1.0
83.05004	0.6
85.02948	1.2
87.00876	0.5
95.05016	0.4
96.96005	0.5
97.02990	0.5
108.02154	1.5
109.02953	2.8
111.04477	0.6
113.02435	2.2
117.03453	0.5
121.02919	1.6
123.04520	0.7
124.01647	0.7
125.02454	0.5
134.03696	2.2
135.04451	0.6
137.02419	1.1
138.03210	2.2
145.02959	2.7
149.02388	0.3
149.09694	0.3
149.35197	0.3
151.03987	0.4
161.70787	0.3
163.03920	0.6
164.04848	0.4
171.08110	0.5
179.03432	0.4
181.73524	0.3
189.09213	1.9
200.03250	0.8
201.09167	0.9
202.09857	0.3
207.10283	0.5
241.12285	1.2
249.14938	1.0
250.15276	0.4
259.13397	1.4
277.14435	5.7
278.14752	0.4
289.14481	0.7
307.15475	100.0
308.12253	0.5
308.15817	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	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39254	0.3
59.01381	1.6
60.97513	0.4
61.98836	0.3
70.66782	1.0
71.01380	0.8
74.99070	6.1
74.99495	0.4
75.96210	0.4
91.02192	2.2
93.00126	1.5
135.04485	0.4
143.05223	0.4
149.00943	2.4
159.08463	7.1
161.06406	1.8
179.03464	0.4
192.98111	0.8
206.99689	1.1
209.01221	2.2
217.07240	0.6
223.02814	50.3
224.02922	4.8
275.06006	0.8
289.07446	1.6
290.07544	0.4
291.09076	100.0
292.09180	15.2
307.12268	3.9
307.19128	0.4
308.12088	0.5
309.10242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50946	0.4
59.01373	3.2
59.39880	0.4
70.02227	1.9
71.01368	1.7
74.99061	6.1
86.54282	0.4
91.02206	2.8
93.00125	1.9
99.18011	0.5
103.03994	0.8
127.84001	0.4
135.04507	0.9
143.05240	0.4
149.00996	2.7
157.05049	0.5
159.08473	7.2
161.06374	2.1
179.03496	0.6
185.11618	0.4
206.99718	1.5
209.01251	2.8
217.07245	0.9
223.02811	49.2
224.02847	5.2
241.03821	0.8
252.24969	0.5
289.07532	1.8
291.09076	100.0
292.09183	14.1
307.12158	3.4
307.19125	1.2
307.22394	0.9
308.12274	0.8
309.10281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
57.03453	3.3
58.00587	1.9
58.99596	1.7
59.01376	46.0
59.78097	0.6
65.57609	0.7
67.21757	0.6
69.78024	1.3
69.78397	3.1
71.01377	23.8
71.20597	0.6
72.07767	0.5
72.99305	2.5
73.02941	1.9
74.99094	2.2
75.00881	0.6
79.95731	0.7
83.01385	3.0
83.04999	0.6
84.02171	0.8
85.02942	29.4
87.00857	2.2
89.02439	21.2
95.01378	1.2
96.96002	38.8
97.02911	0.7
97.63842	0.5
98.95571	0.6
99.00903	1.0
99.08154	17.8
101.02436	16.4
101.03085	1.2
103.00430	0.8
113.02450	8.3
115.07655	1.2
119.03493	8.2
119.04919	0.5
127.07652	5.8
129.01917	2.7
129.09201	2.0
131.03502	0.6
135.04530	1.5
136.99142	1.9
141.09219	1.8
143.03471	0.8
145.02940	1.1
145.08693	57.8
146.09016	2.0
147.02980	2.0
153.25999	0.6
161.04517	2.0
163.03999	0.7
179.03513	2.2
179.05557	1.3
184.03697	0.7
187.09717	1.8
191.01944	6.8
210.75276	0.6
220.96713	1.4
227.12836	5.8
307.08502	36.7
307.13943	100.0
308.08853	2.8
308.14337	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.20146	0.9
57.03440	1.8
58.00594	1.0
58.60719	1.0
59.01376	96.7
60.96028	0.9
69.24028	10.0
71.01379	18.3
72.99286	1.8
73.02947	4.1
79.95770	1.0
83.01385	2.0
85.02937	10.1
87.00850	1.4
89.02433	11.4
95.71144	0.9
96.96000	39.9
98.95591	1.4
99.00897	1.6
99.08157	3.8
101.02441	10.4
113.02451	5.8
119.03493	4.4
120.99651	22.2
121.65179	0.9
127.07647	4.3
135.04504	16.7
145.08699	31.6
146.09056	1.2
161.02408	1.3
179.03477	18.5
209.11774	1.2
219.10558	1.9
227.12802	1.6
289.12891	1.5
307.08749	14.5
307.13968	100.0
308.14200	7.6
314.45334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42893	1.7
57.03451	1.5
59.01376	12.3
69.45036	13.3
71.01375	8.3
72.00885	3.6
72.04539	22.0
72.99300	2.0
74.86599	1.7
85.02948	3.7
87.05636	13.6
88.04034	15.0
91.05525	10.4
92.05896	1.9
96.96001	11.5
97.04070	5.3
99.05659	4.5
100.04037	100.0
101.04388	2.0
109.04103	2.2
113.02397	3.3
114.01953	2.4
115.05127	87.9
116.05352	1.7
116.63576	1.9
117.03468	7.1
118.06620	2.0
119.05028	12.4
121.02918	2.7
129.30524	1.6
132.74988	1.6
135.04529	2.3
144.03014	51.5
145.02942	41.3
147.04506	6.5
159.04466	3.0
161.04553	1.7
163.04004	11.6
164.07117	3.0
174.05592	2.1
174.09221	2.2
175.02620	1.7
176.07155	16.0
183.16051	1.6
187.03958	7.5
187.07585	2.2
189.06638	2.7
190.05077	3.8
191.11932	2.5
201.10345	10.3
219.11371	2.3
220.06108	4.1
235.10849	56.1
235.89824	1.7
236.11066	1.9
245.09261	21.6
261.08780	5.0
263.10367	17.0
264.10556	2.1
289.08264	3.9
307.08389	14.2
307.12094	7.8
307.15277	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	307.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08075	0.7
50.42979	0.8
55.01841	2.3
57.03444	11.9
59.01371	16.0
60.14674	0.7
62.68134	0.7
68.99796	1.0
69.50674	4.2
69.51086	1.5
71.01376	8.4
71.33743	0.9
72.99274	2.2
73.02921	0.8
75.00851	1.3
76.99845	0.7
79.95722	1.7
80.96491	1.1
81.61848	0.8
83.01337	2.3
84.02128	1.8
85.02944	94.1
86.03245	2.1
87.00839	0.9
88.73188	0.8
89.02439	4.0
96.96001	100.0
98.19873	1.8
98.95580	4.3
99.00843	0.9
99.08102	3.5
101.02430	4.1
101.06037	1.8
103.00322	1.3
111.00873	1.1
114.69836	0.8
115.07587	3.6
119.03467	1.9
125.17292	0.8
127.07583	1.6
129.01953	5.7
129.09065	0.8
145.02852	1.2
145.08682	12.1
147.02983	9.0
147.77272	0.7
179.03397	1.6
191.01959	26.2
193.04939	1.9
209.03017	1.2
220.96594	1.9
307.11984	75.7
308.12311	5.7
310.93698	0.8
319.05243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08075	0.7
50.42979	0.8
55.01841	2.3
57.03444	11.9
59.01371	16.0
60.14674	0.7
62.68134	0.7
68.99796	1.0
69.50674	4.2
69.51086	1.5
71.01376	8.4
71.33743	0.9
72.99274	2.2
73.02921	0.8
75.00851	1.3
76.99845	0.7
79.95722	1.7
80.96491	1.1
81.61848	0.8
83.01337	2.3
84.02128	1.8
85.02944	94.1
86.03245	2.1
87.00839	0.9
88.73188	0.8
89.02439	4.0
96.96001	100.0
98.19873	1.8
98.95580	4.3
99.00843	0.9
99.08102	3.5
101.02430	4.1
101.06037	1.8
103.00322	1.3
111.00873	1.1
114.69836	0.8
115.07587	3.6
119.03467	1.9
125.17292	0.8
127.07583	1.6
129.01953	5.7
129.09065	0.8
145.02852	1.2
145.08682	12.1
147.02983	9.0
147.77272	0.7
179.03397	1.6
191.01959	26.2
193.04939	1.9
209.03017	1.2
220.96594	1.9
307.11984	75.7
308.12311	5.7
310.93698	0.8
319.05243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.47150	0.6
57.03179	1.1
57.03441	14.4
59.01374	9.4
66.36664	0.7
68.99827	0.7
71.01369	3.8
72.88046	0.6
72.99289	1.6
74.99084	2.9
75.00882	1.0
76.36607	0.6
79.95718	0.6
81.98022	0.7
83.01367	2.0
84.02161	2.2
85.02943	100.0
86.03293	2.4
87.00873	4.6
89.02435	0.8
95.37817	0.9
96.95978	4.9
101.02428	1.5
103.00368	0.8
111.00854	1.4
115.07643	2.8
120.99654	1.1
125.02363	0.7
127.76052	0.7
129.01944	8.3
135.36024	0.8
145.02960	0.7
147.02983	10.5
173.00963	0.9
191.01953	27.6
192.02274	1.0
209.02940	1.4
219.10661	2.0
228.61639	0.7
276.58795	0.7
307.08542	1.7
307.12466	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.6
59.01382	4.5
69.49609	1.8
69.50012	4.5
70.01525	0.9
71.01386	2.6
73.01186	1.9
85.02949	21.2
85.06630	1.6
85.75919	0.9
87.00865	20.7
87.02732	4.5
96.96008	1.6
101.04287	3.2
103.02225	9.4
113.06084	6.2
113.14738	1.2
115.02217	1.6
120.88319	0.9
120.99646	1.9
122.99272	2.1
123.08116	1.9
129.01918	1.9
131.05342	1.3
138.81860	1.0
141.09198	1.6
143.05370	4.3
145.02998	0.9
147.03012	1.7
157.06903	44.3
158.07219	2.6
161.04543	0.9
173.10034	8.6
191.01990	5.5
201.09526	37.3
202.09941	2.3
217.09062	1.0
219.10564	94.6
220.10965	6.8
307.12180	100.0
308.12479	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	307.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01375	19.9
62.67109	0.5
63.96224	0.5
70.47020	1.4
70.47385	0.6
71.01361	0.7
72.99276	0.5
74.99097	5.3
79.95728	0.8
85.02924	3.5
87.00910	0.6
96.95994	15.3
98.95588	0.8
104.82065	0.5
107.05003	0.9
109.02944	39.7
110.03274	1.4
113.30205	0.4
119.05013	0.6
120.99641	2.0
125.02381	0.6
133.02953	1.7
134.03749	3.0
135.04514	100.0
135.98326	0.8
136.04823	4.5
136.99130	2.1
141.51083	0.4
159.04509	0.5
161.02414	3.8
179.03479	99.0
180.03830	5.4
183.08615	0.8
187.03983	0.8
191.01968	0.7
199.53749	0.6
219.10590	0.6
222.20523	0.5
227.12953	1.3
271.05429	1.0
271.08176	7.0
272.08481	0.5
289.07172	2.3
291.82037	0.5
307.08401	24.5
307.12289	4.6
307.17603	0.6
308.08554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0852
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
51.93760	0.4
59.01368	1.6
71.38715	0.6
79.95740	1.6
85.45918	0.4
96.96002	100.0
97.95938	0.5
98.95567	2.1
98.96470	0.5
110.30292	0.4
153.09230	0.6
153.12891	0.5
165.12808	1.7
179.03461	0.6
197.11871	0.5
209.11804	1.4
219.10548	0.5
225.11372	0.8
227.12863	15.6
228.13170	1.1
233.84784	0.3
307.08566	65.7
308.08868	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.16925	0.9
54.30812	0.9
57.03429	1.1
59.01376	12.1
61.98808	1.1
63.05297	0.9
69.03452	1.7
69.70430	3.6
69.70853	2.9
71.05015	26.3
73.70636	0.9
79.34971	0.8
81.03465	2.4
92.75227	1.0
93.03441	2.6
95.05021	13.8
96.96008	1.0
97.06566	2.6
106.04238	2.1
107.05004	2.1
109.02950	1.5
109.06583	12.4
111.04460	1.9
117.07039	1.2
119.04968	1.9
120.05770	1.8
121.06577	3.7
122.03650	1.6
122.09737	1.2
123.04482	1.1
123.08113	3.0
125.02354	1.2
125.09716	4.6
127.07646	1.7
135.08156	25.2
137.09612	0.9
141.01671	3.1
147.04539	1.8
147.08116	2.0
149.06123	1.3
150.06787	1.1
161.06067	2.5
161.09763	1.3
165.09193	7.8
166.08710	3.1
185.11809	3.1
189.12788	10.0
193.78493	0.9
200.07446	1.5
205.15955	9.8
231.13869	2.0
233.11777	7.0
243.17459	9.5
249.14941	14.1
250.15202	1.2
261.18454	2.9
262.95059	1.0
269.15463	2.1
287.16504	77.2
288.16806	7.0
305.17548	100.0
306.17838	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	306.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18101	0.4
59.01363	2.0
61.98825	100.0
62.98523	0.6
63.99239	1.0
69.53934	1.4
69.54340	0.9
71.01395	0.8
73.12063	0.3
98.20651	0.7
98.56364	0.3
102.93840	0.4
103.03963	0.6
120.76131	0.4
121.02938	1.1
136.93948	0.5
136.96719	1.2
161.26910	0.4
161.98894	1.3
162.96489	0.7
162.99121	1.8
163.98650	2.9
164.96367	46.7
165.92242	0.4
165.96510	2.9
176.98045	0.6
178.97768	0.4
205.00180	0.4
205.99709	0.4
206.97432	16.6
207.97572	1.0
306.94165	0.8
306.97372	15.3
307.00043	1.6
307.93832	0.6
307.96973	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	305.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	35.8
65.59119	0.4
69.70653	2.5
79.95742	1.6
81.46306	0.4
96.96001	100.0
97.06578	1.1
120.99642	11.9
125.02428	3.9
135.08160	0.9
147.08122	1.2
165.09169	0.9
195.32286	0.6
196.57472	0.5
215.84706	0.6
217.08997	0.9
225.04016	2.0
225.11281	24.2
226.11603	1.8
305.06967	87.1
306.07291	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	305.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57336	0.4
57.03439	0.6
59.01365	1.6
71.01379	0.9
71.62544	0.6
72.99296	0.7
73.60018	0.4
73.98311	11.1
74.99089	10.2
79.95722	5.3
83.01401	0.7
83.55228	0.4
87.00856	1.8
87.04509	0.7
95.95270	0.7
96.95999	100.0
101.02433	0.6
101.06042	0.6
109.02911	0.7
114.42547	0.5
115.02240	0.9
120.01218	0.4
120.99648	4.8
122.03716	0.6
125.02459	3.0
126.42497	0.5
133.03004	0.6
137.02406	0.5
145.07704	0.6
151.00392	0.5
160.06393	1.0
161.07196	1.6
164.08414	0.5
165.02029	0.5
165.09172	2.5
167.03412	0.5
169.01419	0.6
181.06932	0.7
183.10240	1.1
189.06654	1.8
199.07964	1.4
217.08923	2.6
220.48154	0.5
225.04102	0.6
229.09828	0.7
257.67688	0.5
279.69818	0.5
287.05545	0.5
287.09418	0.8
305.10593	88.5
306.07385	0.9
306.10861	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	305.1138
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
57.03432	0.6
59.01379	2.9
65.99839	0.5
68.99802	0.6
69.03447	0.4
69.66403	0.6
69.66815	1.5
71.01381	1.4
74.99096	0.9
75.46856	0.3
78.91529	0.3
79.95712	0.5
82.02970	3.4
85.02938	2.2
87.00858	0.4
89.02461	0.5
92.05076	0.9
93.03485	0.4
94.02964	2.1
96.04552	4.1
96.95995	4.9
97.02940	0.9
98.95582	0.9
99.04546	0.3
101.02399	0.5
101.24497	0.3
103.02223	0.8
110.06078	0.5
113.02419	0.7
115.02274	0.4
120.04541	0.8
120.99642	2.5
121.62643	0.3
122.03726	4.9
122.06081	1.5
125.02434	3.4
135.01189	0.3
136.04037	1.3
137.02440	0.6
137.95726	0.3
138.05597	100.0
139.05946	3.4
149.04709	0.4
150.05588	0.6
161.04742	0.6
176.89978	0.3
178.08704	0.4
181.06874	0.4
188.07150	0.9
190.08743	0.8
191.01888	0.3
191.08195	0.3
199.07968	0.7
202.08708	0.7
205.69052	0.3
209.03108	0.4
216.10222	0.3
217.06174	0.5
217.09052	2.4
218.06934	1.8
218.11867	1.5
225.04013	1.0
225.14999	0.4
233.09285	4.8
244.09706	0.9
245.09203	0.7
261.12411	10.1
262.12836	0.8
287.10269	1.9
305.07092	2.0
305.11325	17.8
305.19769	1.0
306.11813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1754
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.25181	0.6
55.01871	1.3
57.03434	2.3
59.01374	5.0
61.98819	0.7
65.03953	3.3
66.92345	0.5
69.03440	0.9
71.05015	10.6
71.57993	0.6
79.05521	13.3
80.05846	0.7
81.03452	0.8
83.05020	1.8
93.03448	1.8
95.05030	1.9
97.06578	16.6
106.04223	9.5
107.05045	3.6
107.05656	0.8
109.06583	2.8
109.99439	0.5
117.07107	1.2
119.04995	0.8
120.05804	5.6
121.06579	4.2
123.08148	6.5
125.09708	18.9
128.79117	0.5
132.49069	0.5
133.06575	1.4
135.08145	100.0
136.08478	5.0
137.09720	3.2
141.01662	1.8
149.09683	0.7
151.11220	2.6
161.06007	1.1
161.09622	0.6
162.06810	1.1
163.11272	2.0
176.08276	0.6
177.12856	1.0
183.10252	1.6
185.11807	1.9
189.12903	1.6
205.15935	5.7
207.10242	2.9
209.11818	2.2
221.11832	2.3
231.13908	1.8
233.11754	1.6
243.17459	1.3
247.13315	1.0
249.14912	49.9
250.15262	4.9
261.18372	0.7
263.16489	2.3
269.15372	0.9
277.18155	0.9
279.52618	0.6
287.16541	7.0
288.16742	0.7
305.17532	84.2
306.17905	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	305.0664
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
57.03449	7.9
59.01376	2.0
61.96188	0.7
61.98801	0.7
67.32497	0.5
69.03456	1.5
70.96471	1.4
70.96813	1.0
71.01376	0.9
81.03448	3.8
83.01368	4.0
83.04993	0.7
85.02944	1.5
93.03456	2.7
95.01384	2.5
95.05000	2.9
97.02941	4.9
99.04514	0.6
101.02370	0.6
107.05042	0.7
108.02223	0.8
109.02944	14.2
111.04520	4.3
120.99641	2.0
121.02965	2.9
123.00919	5.5
123.04502	1.5
124.01662	4.2
125.02435	100.0
126.02766	2.9
132.40179	0.6
133.02855	0.8
135.04535	2.6
136.99216	0.7
137.02435	27.2
138.03178	1.4
139.04004	22.6
140.04317	1.2
147.04533	1.4
149.02448	0.7
149.06075	2.3
151.03986	2.6
158.03740	0.6
159.04510	1.9
161.02437	2.7
162.03183	0.7
164.01146	6.2
165.01920	21.5
166.02391	0.8
167.03482	20.1
168.03876	0.6
168.68971	0.7
173.06042	0.6
175.03976	2.6
175.27869	0.7
176.04729	1.5
177.01942	1.9
177.05554	4.9
178.02673	1.1
179.03477	19.9
180.03908	1.0
181.04987	0.9
189.05589	1.3
191.07112	1.9
201.05531	1.8
203.03487	3.5
204.04172	3.3
215.07092	0.7
217.09001	0.7
218.05841	1.1
219.06596	15.6
220.06888	1.4
221.04547	6.2
237.07660	1.3
243.06522	1.5
261.07645	7.5
287.05600	1.2
305.06628	67.0
306.07034	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	301.2382
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
59.01378	3.6
61.55962	0.4
61.98839	4.2
63.45116	0.4
66.97482	0.4
70.82575	0.6
70.82887	0.7
72.78846	0.4
72.99308	0.6
86.04735	0.4
94.19476	0.4
95.68499	0.4
96.96001	0.7
123.00816	1.2
125.14338	0.4
138.03226	0.5
139.04051	0.5
147.04510	0.6
175.03992	1.5
186.01170	0.5
204.07889	1.7
219.97704	1.4
225.22218	12.7
226.22676	0.7
253.21689	7.8
254.22098	1.0
255.23283	20.8
256.23520	1.8
286.04028	0.5
299.21960	0.5
301.03513	2.0
301.23810	100.0
302.24179	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	303.0507
Annotation	TAXIFOLIN-(+/-)
Peak:m/z	Relative Intensity
57.01665	0.5
57.03442	16.7
59.01369	0.8
59.22805	0.4
59.49746	0.5
62.34518	0.5
63.02364	0.6
65.00332	3.4
66.51152	0.6
71.08218	1.1
79.95676	0.6
81.03461	0.8
83.01381	6.3
93.03448	0.8
94.91818	0.5
96.95989	4.5
107.01376	3.6
108.02187	0.7
109.02922	2.7
111.00909	1.1
118.97996	1.1
121.02956	2.1
122.03744	0.7
123.04511	6.1
124.01643	2.7
125.02433	100.0
126.02789	2.5
133.02975	0.6
137.02429	1.0
139.04013	2.2
143.04945	0.7
146.03662	0.9
147.04515	2.0
149.02417	5.3
150.03215	7.1
151.00349	8.4
151.03995	9.0
152.01157	5.0
153.01898	7.4
161.02394	0.6
161.06102	1.1
165.05580	0.6
171.04492	1.8
171.08430	0.7
172.36858	0.6
173.06076	1.7
174.01781	1.1
174.03198	3.0
175.03987	16.2
176.01096	0.8
176.04295	1.3
177.01900	19.2
178.02289	0.8
178.99837	9.7
179.01286	0.9
181.01366	2.7
185.06012	0.6
187.04047	0.8
188.04771	1.2
189.05589	3.9
191.03554	0.6
193.05072	3.2
199.03964	8.2
201.01880	2.5
203.07185	0.7
213.05603	1.0
216.04317	1.6
217.05038	9.1
226.20988	0.5
226.73936	0.5
231.06592	1.5
241.05026	5.9
242.02213	0.6
243.03052	1.1
243.12383	0.6
244.03545	0.8
257.04504	1.0
259.06064	4.9
275.05560	5.8
285.04019	60.3
286.04364	5.3
303.05078	10.0
303.09009	2.5
303.14322	0.7
304.05438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96832	1.7
55.43158	2.3
57.03426	8.7
58.00583	7.1
59.01374	89.9
60.01698	2.6
68.99799	3.4
69.89787	6.9
69.90202	3.2
71.01374	36.6
72.99300	50.8
73.02953	2.8
75.00867	24.1
79.05524	5.9
79.95722	13.1
83.01370	4.5
83.05010	3.4
85.02912	2.7
87.00871	4.6
89.02438	63.1
93.03469	2.0
95.01382	3.0
95.05025	5.0
95.95230	6.1
96.95999	21.2
97.02937	2.1
97.06562	25.2
99.00867	19.1
105.07078	2.7
107.04993	7.3
108.02174	3.4
109.06573	7.9
109.89299	1.8
110.03738	1.9
111.00850	2.8
111.08155	15.8
112.98791	16.2
115.00334	2.3
117.01927	36.0
120.05786	6.0
120.99711	2.0
121.02950	3.0
121.06573	16.3
122.03684	2.5
123.04487	5.7
123.08131	5.7
124.01640	8.0
124.98780	5.9
125.02429	43.5
125.06058	14.1
131.04974	2.3
134.03705	3.8
135.02995	15.9
135.04478	4.5
135.08130	3.9
137.02420	5.5
137.06062	4.9
139.07631	19.3
142.99844	100.0
144.00153	3.1
145.01489	1.8
147.04520	3.4
149.02452	4.3
149.06053	22.7
150.03206	3.8
150.06387	2.4
151.00322	3.9
151.03929	5.4
151.07524	2.4
153.01939	4.1
153.04419	2.6
153.05559	25.6
155.07047	2.2
155.10754	2.2
161.06052	1.8
165.05560	3.1
166.06303	6.9
167.07112	38.8
171.06606	2.0
173.00897	22.2
174.01689	25.6
175.03995	7.2
177.01883	5.7
178.99815	4.8
179.07129	4.5
181.08704	16.4
183.06543	3.7
183.10161	2.0
185.11792	7.5
193.04980	10.0
199.04008	2.9
199.13348	5.7
200.13373	2.3
201.11278	4.9
202.37143	1.9
207.06552	2.1
210.05341	2.7
211.06071	5.5
213.07555	4.1
213.11269	8.1
217.05133	1.9
225.07645	40.8
241.05028	2.2
243.12273	6.2
259.06052	2.0
261.13376	4.1
285.04019	30.4
286.04230	3.5
288.06702	2.4
303.04977	6.0
303.09003	20.8
304.09357	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	304.0007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71956	0.2
59.01368	5.0
60.01722	0.5
61.01802	0.3
61.98823	100.0
70.19432	0.4
70.19814	0.4
117.02246	0.4
119.00130	0.3
134.97047	0.4
145.09302	0.3
159.01479	0.7
160.01628	1.9
161.01178	2.6
161.98921	21.1
162.96510	0.6
162.99036	1.2
176.98163	0.2
202.02794	0.4
203.02345	0.3
203.98145	0.3
203.99963	4.2
205.00113	0.3
207.53214	0.2
219.97972	0.3
229.54341	0.2
253.42836	0.2
261.99078	0.3
303.99957	15.6
304.02722	1.7
304.99957	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	304.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93801	0.3
56.57419	0.4
58.02970	38.7
59.03295	0.6
67.29926	0.3
69.04933	0.3
71.24978	0.6
82.68697	0.3
83.79883	0.3
87.37633	0.3
110.92004	0.3
151.67300	0.3
168.13911	100.0
169.14285	5.5
206.50404	0.3
212.12900	2.8
264.17294	0.3
272.06592	0.4
281.90765	0.3
292.91580	0.3
304.19244	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.8
59.01366	2.7
69.83041	1.1
69.83458	0.9
79.95743	1.6
81.03453	1.7
83.01375	1.1
85.02940	0.6
95.05038	0.8
96.95998	18.0
97.02934	3.5
99.00865	0.8
119.05019	1.7
120.99622	0.5
125.02432	100.0
126.02753	3.2
137.06056	4.9
143.35677	0.4
143.74135	0.4
151.00407	0.6
151.50270	0.3
163.03992	2.3
169.16649	0.4
181.05040	3.5
181.06412	0.6
225.04018	57.2
225.11284	2.2
226.04338	3.2
269.42059	0.4
304.99695	10.4
305.02795	0.4
305.06961	6.4
305.10623	9.9
306.00159	0.5
306.07516	0.5
306.10901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01382	2.2
69.36239	1.8
69.36649	0.6
71.42748	0.3
73.81814	0.3
89.02455	0.5
91.04013	0.9
93.04793	0.3
96.95992	0.6
97.06577	0.5
107.01342	0.5
111.08181	0.5
113.09737	0.3
121.02895	0.4
123.00859	0.5
138.03221	0.5
149.02420	0.5
151.00369	1.0
165.12816	3.5
171.08365	0.4
183.13873	100.0
184.14206	6.0
185.05875	0.3
185.38826	0.3
209.11835	3.0
215.09616	0.3
221.19098	3.8
222.19446	0.4
227.12851	4.6
236.89851	0.3
239.20439	0.3
241.05133	0.4
265.17972	1.8
283.05969	0.4
283.19217	2.2
284.19519	0.4
301.03482	3.7
301.07050	0.9
301.11047	0.7
301.16519	13.6
301.20184	12.8
302.16949	1.3
302.20544	1.1
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	Viridamine
Peak:m/z	Relative Intensity
60.97494	0.7
61.98836	0.2
69.90504	1.1
74.99094	0.5
87.51230	0.2
91.02221	0.2
93.00115	0.2
98.19866	0.3
118.96211	1.1
120.97791	0.2
133.07683	0.2
134.99380	4.9
135.99294	0.2
136.97299	1.6
141.07436	0.3
143.05348	1.3
150.98814	0.4
159.08412	1.5
161.06374	5.3
162.06517	0.3
183.90071	0.2
201.04068	0.4
203.05637	3.4
204.05653	0.3
205.03532	1.0
215.05635	1.1
217.07169	82.4
218.07286	7.5
235.08258	0.4
261.06168	0.5
283.11856	0.4
285.13428	36.0
286.13620	4.0
301.16550	100.0
302.16751	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	301.2016
Annotation	Koninginin G
Peak:m/z	Relative Intensity
56.58273	0.3
59.01367	2.9
61.98820	1.9
64.33509	0.3
70.26054	1.3
78.95905	0.6
80.93803	0.4
96.96041	0.4
98.20624	0.5
100.65039	0.4
107.18542	0.3
109.32679	0.3
110.17725	0.3
123.00879	0.7
125.98496	0.3
138.03207	0.4
141.12543	0.4
151.00385	0.4
158.26982	0.4
179.55923	0.4
209.19022	0.8
211.20628	0.4
215.15019	0.4
219.97684	0.8
221.19046	5.7
222.19466	0.6
237.18549	1.4
239.20120	22.8
240.20529	1.7
255.19609	33.4
256.19928	2.8
265.18121	0.9
283.19092	2.9
301.03305	1.3
301.20148	100.0
302.17255	0.7
302.20477	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	301.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	47.7
59.87785	1.3
60.11007	1.2
61.98825	8.2
71.01376	1.7
75.00881	1.7
76.46532	1.4
91.13061	1.4
123.00886	2.5
139.61963	1.4
201.01866	1.3
204.07817	2.0
217.00125	1.3
219.97713	2.1
221.19083	9.0
239.20132	35.0
240.20480	2.6
241.18069	82.6
242.18477	7.5
265.17969	1.6
271.06131	1.4
273.20734	2.2
283.19150	15.7
301.03275	6.1
301.14679	2.5
301.20163	100.0
302.20477	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2018
Annotation	Koninginin G
Peak:m/z	Relative Intensity
55.19364	0.4
56.42204	0.4
57.03443	4.0
59.01364	1.8
61.98822	0.4
69.03442	0.5
69.32593	1.3
69.33015	2.4
71.01369	1.3
71.05001	0.4
83.05013	0.6
88.81449	0.3
95.05038	0.7
97.02921	1.1
97.06567	1.8
99.08144	0.7
109.02948	0.4
111.08120	1.2
113.06120	0.5
113.09710	1.2
121.02925	0.5
123.00877	0.5
123.08151	0.9
125.09711	10.1
127.11337	0.4
131.07077	0.7
132.91107	0.4
138.03186	0.5
139.11269	0.8
148.73923	0.4
151.00391	0.4
159.04474	0.4
172.05260	2.5
173.05931	0.8
187.03964	0.7
187.07637	1.2
187.09709	6.6
200.04765	9.8
200.08253	0.8
201.05342	0.6
201.09137	1.8
204.07806	0.8
207.06598	0.4
213.05486	0.6
215.07181	0.4
216.07834	1.7
221.19080	34.4
222.19485	2.4
228.07936	2.8
229.08669	20.8
230.09006	1.7
235.05997	0.5
237.18629	1.0
239.16451	0.6
239.20116	3.9
240.20531	0.5
243.10242	0.5
244.10950	0.5
245.11829	0.4
257.11880	0.8
257.21130	1.8
265.10709	0.6
265.18073	21.0
266.18491	1.9
272.10565	3.6
273.10690	0.4
283.19110	17.7
284.19470	2.0
301.03458	1.3
301.14291	14.5
301.17145	4.1
301.20123	100.0
302.14703	1.0
302.17618	0.5
302.20483	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1441
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
57.03416	1.0
59.01355	1.2
61.98816	0.3
67.23557	0.3
69.03433	0.6
71.01375	7.1
71.63064	0.3
83.05018	0.6
84.02184	0.3
85.39929	0.2
93.84264	0.3
97.02936	6.2
97.06548	0.3
109.02957	0.4
111.08154	1.4
113.09691	0.5
121.02911	0.6
123.00861	0.5
124.59354	0.3
127.11271	0.5
135.04482	0.4
138.03194	0.3
140.01915	0.3
146.03751	0.4
147.04494	0.3
151.00368	0.3
151.07616	1.1
159.04510	2.0
171.04436	0.5
171.10268	0.3
172.05281	11.0
173.06030	3.6
173.08217	0.4
174.03217	0.4
174.06775	0.8
175.03983	1.3
175.07628	0.7
183.08076	0.4
185.06004	2.4
186.06799	0.9
187.03986	1.6
187.07629	3.2
189.05475	0.5
196.05254	1.3
197.05934	0.4
199.03947	1.7
199.07678	0.6
200.04765	51.2
200.08372	3.8
201.05310	5.6
201.09175	6.9
202.06258	0.8
202.09486	0.4
203.07103	1.1
203.10841	0.3
204.07904	0.8
209.11449	0.3
211.07599	3.4
211.20613	0.3
212.08382	0.5
213.05531	4.0
214.06334	1.8
215.07100	2.1
215.10738	1.2
216.07877	4.3
217.08510	0.7
217.12299	0.8
221.19089	15.0
222.19400	1.4
224.04709	0.7
225.05637	0.5
225.09239	2.9
226.06158	0.4
227.07120	0.6
228.07899	12.5
229.08662	100.0
230.09013	9.1
237.18575	1.1
239.07127	0.8
239.20152	3.1
240.20306	0.4
243.06563	1.1
243.10229	2.6
244.10974	1.2
245.08218	0.4
245.09441	0.3
245.11734	2.5
253.08682	1.2
254.09218	0.3
255.10245	0.4
257.08167	0.2
257.09274	0.3
257.11783	2.7
257.21130	0.8
258.12222	0.5
265.18057	9.8
266.18359	0.8
271.09851	0.6
272.10504	18.0
273.10925	1.5
273.14941	0.5
276.00943	0.3
279.54288	0.3
283.13422	0.9
283.15997	0.6
283.19113	10.9
284.19446	0.6
301.03488	1.1
301.14444	75.2
301.20023	47.8
302.14792	8.0
302.20355	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	301.0927
Annotation	Isotachioside
Peak:m/z	Relative Intensity
58.10964	0.4
59.01376	0.7
68.99845	0.4
69.89171	0.7
69.89584	1.0
71.01377	4.7
73.02937	1.6
74.99092	2.7
83.72192	0.3
85.02945	2.2
89.02433	0.8
93.03445	1.0
95.01376	5.3
98.19946	0.6
99.00835	0.6
99.92004	0.4
101.02437	3.6
108.02160	1.0
109.02917	0.6
113.02434	3.3
121.02923	2.8
123.00871	100.0
124.01611	4.3
125.02430	0.6
136.01640	0.5
136.99126	3.3
137.02432	3.3
138.03212	64.7
139.04019	17.1
140.04343	0.8
149.02429	2.1
150.03136	0.8
151.03978	1.9
159.03018	0.7
161.04532	4.9
163.03940	0.8
166.02727	1.5
178.02698	1.4
181.05017	6.3
182.05266	0.4
193.04976	3.0
194.05397	0.4
199.97675	0.3
265.36530	0.3
284.41376	0.4
301.09161	4.2
324.07831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1443
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
57.40348	0.4
59.01386	1.3
61.98819	0.6
71.01375	6.7
71.22407	0.4
71.22755	0.8
78.54030	0.3
97.02938	6.3
104.76540	0.4
117.03460	0.9
121.02942	0.6
123.00915	1.2
129.23969	0.4
134.06099	0.7
135.04506	1.4
145.02945	1.5
147.04472	0.5
149.02396	0.6
151.07655	0.6
159.04504	1.7
165.01776	0.5
166.49210	0.4
171.04517	0.8
172.05290	10.0
173.06033	4.3
174.06763	0.6
175.03960	0.8
185.06041	2.1
186.06851	1.2
187.03993	1.4
187.07634	3.3
188.04626	0.4
196.05298	1.1
199.03975	1.3
199.07658	0.7
200.04770	47.5
200.08398	4.1
201.05325	4.8
201.09177	6.7
202.06250	0.5
202.09509	0.7
203.07048	0.7
204.07901	0.7
204.36354	0.4
211.07565	2.7
212.08185	0.4
213.05524	4.2
214.06346	1.3
215.07094	1.6
215.10773	0.9
216.07899	4.3
217.08536	0.9
217.12314	0.5
224.04846	1.0
225.09253	2.4
228.07892	11.2
229.08662	100.0
230.06924	0.8
230.09026	8.8
239.07108	0.6
241.14403	0.7
243.06635	1.0
243.10234	2.0
244.10973	0.8
245.11737	2.0
253.08609	1.1
257.11749	3.6
258.11508	0.5
268.03772	1.3
271.09711	1.3
272.10519	18.1
273.10852	1.3
283.10654	0.6
301.03476	1.2
301.14417	76.4
302.06088	0.8
302.14761	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	301.0925
Annotation	Isotachioside
Peak:m/z	Relative Intensity
52.07070	0.6
53.95734	0.7
59.01372	2.7
59.78476	0.5
61.04831	0.7
69.82750	2.5
71.01383	4.0
73.02944	1.3
74.58736	0.7
74.99088	2.2
77.34978	0.7
85.02941	1.9
85.57518	0.6
93.03455	3.3
93.33118	0.6
94.03760	0.9
95.01392	4.3
97.65237	0.6
98.19874	0.8
99.00890	0.7
101.02442	3.0
103.53438	0.7
108.02129	1.1
110.51039	0.7
111.00873	0.6
113.02432	3.0
121.02978	3.2
123.00873	100.0
124.01787	3.8
125.02435	1.0
136.99165	1.4
137.02428	5.3
138.03215	60.1
139.00432	1.1
139.04005	30.5
140.04364	1.3
148.29411	0.7
149.02408	3.1
150.03204	1.0
151.04013	1.7
159.02983	0.7
161.04527	4.3
163.04004	1.1
166.02675	1.9
178.02611	1.3
179.03545	0.6
181.05049	7.3
193.05031	2.0
280.88300	0.7
301.06137	0.8
301.09164	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
63.02394	8.3
65.00317	14.6
66.00623	0.3
66.29255	0.3
67.49700	0.3
71.01386	1.0
71.63809	0.5
79.01875	0.4
79.95737	0.5
83.01376	8.0
89.02428	0.3
93.03455	4.2
93.14984	0.3
95.01392	1.0
96.96001	8.9
103.46734	0.3
105.34701	0.3
106.06685	0.4
107.01378	20.3
107.55486	0.3
108.01651	0.5
108.04561	0.5
108.99290	0.5
109.02936	2.5
119.04980	0.4
121.02940	18.5
122.03286	0.8
123.00921	1.0
124.01634	0.6
124.07661	0.4
125.02430	0.8
133.02956	0.5
135.00880	0.5
136.07625	1.8
137.02415	0.4
139.04002	1.9
143.05005	0.5
145.02943	0.4
147.04480	0.7
148.01656	0.6
149.02425	4.3
150.02802	0.4
151.00352	62.3
152.00693	2.2
153.05469	0.3
158.03699	0.3
159.04500	0.8
161.02443	1.1
161.05977	0.3
162.03294	0.5
163.00398	1.6
163.04016	0.9
164.01111	1.3
165.01855	0.8
169.01416	3.0
171.04457	0.4
173.02412	0.4
173.05969	0.4
175.04163	0.6
177.05545	0.5
178.99841	20.5
180.00220	1.0
183.04530	0.8
183.13988	0.3
185.06006	0.8
187.03984	0.9
189.05510	0.4
193.01369	1.5
196.91222	0.3
198.32584	0.3
199.03847	0.3
201.05592	1.2
202.22386	0.3
203.03534	0.4
205.05046	0.5
211.03981	1.6
211.13306	1.6
214.02715	0.3
215.03511	0.9
227.03508	2.0
229.04979	1.9
231.02928	0.4
239.03508	0.4
241.14574	0.5
243.02979	0.9
244.03464	0.3
245.04424	1.8
255.02956	5.8
256.03543	0.4
257.04547	3.4
257.12912	4.0
273.04019	3.1
283.02429	3.9
284.03146	0.9
286.04248	0.4
301.03494	100.0
301.19904	1.6
302.03842	9.0
302.11356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00334	0.6
58.00574	0.3
58.02964	0.4
59.01374	3.2
63.96227	0.8
68.01405	2.7
69.56330	1.4
69.69259	0.2
71.01378	0.8
72.99332	0.3
73.02938	0.2
74.11769	0.2
74.89054	0.2
74.99100	0.6
76.98650	0.3
80.37498	0.2
85.02940	0.2
87.00873	0.2
89.02464	0.4
91.59667	0.2
94.06595	0.5
95.05025	0.3
96.04566	0.4
97.06613	0.2
101.02449	0.3
108.01266	0.7
109.01689	0.2
110.06094	0.4
121.02953	0.6
122.02481	0.8
122.03290	0.6
122.06063	0.2
123.03257	6.0
123.04153	0.3
124.04047	0.3
124.07681	0.9
129.02017	0.2
131.07121	0.6
136.07700	0.7
137.04796	1.0
138.05597	100.0
139.04138	0.2
139.05943	4.1
149.02473	0.4
150.02292	1.9
150.05618	0.3
151.02692	0.2
152.03589	0.4
152.07159	1.9
166.08748	0.6
167.05882	1.9
168.06593	0.6
180.06642	4.8
186.07631	0.3
210.07681	0.6
240.08775	0.2
263.01569	0.2
300.10846	16.8
301.03549	1.9
301.08047	0.3
301.10828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34015	0.3
59.01375	95.9
60.01693	0.8
61.73098	0.3
61.98814	0.5
74.17606	0.3
74.99392	0.4
84.08768	0.3
114.92052	0.4
114.98893	0.6
115.02506	11.4
116.02624	0.4
116.98666	0.7
117.00436	9.2
118.32475	0.3
141.00470	0.3
150.12889	0.3
156.90295	0.6
156.93103	1.7
156.99945	0.8
157.03551	3.0
157.52415	0.3
157.90880	0.5
158.92839	1.3
159.01480	100.0
160.01616	7.4
201.02531	22.6
202.02673	2.4
205.04881	0.3
217.00478	1.2
218.00606	0.3
224.74225	0.3
228.44275	0.3
233.46033	0.3
241.00531	0.5
257.03510	0.5
259.01529	3.5
262.55469	0.3
301.02634	51.2
302.02765	9.3
302.06146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.035
Annotation	Delphinidin
Peak:m/z	Relative Intensity
59.01382	0.2
63.02389	0.5
65.00317	2.3
71.01381	0.4
71.39268	0.2
75.02409	0.2
77.03970	0.4
83.01387	1.2
93.03433	0.4
105.03477	0.9
107.01387	3.7
108.01699	0.2
121.02941	1.0
125.02423	0.3
131.05046	0.2
133.02965	0.3
135.00888	0.2
137.02499	0.3
145.02953	0.3
147.04524	0.2
149.02425	26.8
150.02721	1.2
151.00349	7.1
151.03990	0.2
152.00652	0.3
159.04491	0.5
162.05585	1.2
163.03984	0.2
171.04514	0.4
173.06075	0.3
175.03845	0.3
177.01857	0.3
183.04494	0.7
185.02399	0.3
185.06062	0.4
185.96819	0.2
187.03979	0.6
189.02017	0.3
189.05519	0.3
191.03485	3.6
192.03973	0.3
201.05515	0.4
211.03917	0.9
215.03473	2.0
217.01404	0.4
217.05000	0.3
227.03438	1.3
229.01482	0.3
229.05020	0.5
230.02000	0.3
231.02966	0.3
233.04512	1.1
234.04782	0.3
239.03514	1.3
254.02068	0.2
255.02937	1.7
257.04471	0.7
259.02454	0.2
273.03955	0.3
283.02448	0.7
300.02734	0.2
301.03491	100.0
302.03848	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.035
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.95592	0.4
59.01370	0.8
63.02393	7.7
65.00318	14.7
65.00665	0.8
68.06741	0.4
69.60020	1.5
69.60435	1.2
79.81575	0.4
83.01378	7.7
86.94524	0.4
93.03448	4.2
95.01428	0.5
96.96001	5.0
99.81404	0.4
107.01380	21.3
108.01671	0.6
108.04523	0.8
109.02949	2.1
111.67169	0.4
121.02941	18.8
122.03255	0.7
123.00893	0.5
125.02418	1.2
136.07668	0.6
139.04012	2.0
147.04517	0.6
149.02428	3.5
151.00354	65.0
152.00655	2.4
154.01079	0.3
159.04478	1.0
161.02431	1.5
163.00371	1.1
163.03932	0.7
164.01147	1.4
165.01892	0.6
169.01408	2.7
171.04485	0.5
173.06091	0.5
175.04010	1.0
177.05457	0.5
178.99838	23.7
180.00117	1.1
183.04504	0.5
187.03976	1.4
192.00778	0.6
193.01404	1.3
199.03879	0.4
201.05588	0.6
203.03473	0.5
205.04997	0.6
211.04007	0.9
211.13365	0.5
213.05508	0.5
227.03397	1.2
227.27519	0.4
229.05011	1.7
243.02881	0.6
245.04509	1.9
255.02933	3.3
256.03629	0.7
257.04636	2.6
257.12933	1.9
265.13580	0.5
273.04056	3.9
283.02499	2.3
284.03128	0.6
299.02045	0.5
301.03494	100.0
302.03824	9.3
302.07159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79956	1.6
57.03439	2.5
59.01373	36.1
70.07574	1.7
70.13218	1.7
71.01363	4.9
71.62205	2.6
89.02437	6.7
101.02443	3.0
113.02468	2.9
119.03483	2.3
119.05001	2.8
125.54220	1.7
137.02434	2.5
138.05562	3.3
138.45036	2.0
139.20424	1.5
174.99173	8.0
217.00258	32.2
223.20636	88.3
223.83473	1.9
224.20927	8.3
227.03502	1.9
240.04279	2.8
253.25258	4.2
255.03027	3.0
256.03677	3.7
267.19611	96.1
268.19977	7.4
281.24728	2.5
283.02295	3.3
284.03217	35.8
285.03583	4.5
285.20660	4.4
299.02374	2.9
299.05573	23.4
299.16626	2.6
299.22217	41.4
299.25854	100.0
300.06052	2.2
300.22855	3.9
300.26212	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	299.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85910	0.3
54.80383	0.4
54.93483	0.3
57.03439	0.8
59.01368	2.7
61.82126	0.4
70.28833	0.8
71.01349	0.4
74.47305	0.3
88.88511	0.3
89.02457	0.6
90.87198	0.4
97.90710	0.3
98.19917	0.4
118.62762	0.4
134.63785	0.4
174.99220	0.9
185.00661	0.6
197.49463	0.4
206.73338	0.4
217.00285	2.1
235.20660	0.5
237.22206	64.3
238.22536	6.1
255.23340	1.9
266.30627	0.4
281.21191	27.3
282.21527	3.1
284.03278	1.5
299.05594	1.2
299.22241	100.0
300.22580	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	299.2587
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
54.62381	0.2
59.01380	1.6
64.49503	0.2
69.79537	0.2
75.29295	0.2
89.02415	0.3
100.19740	0.2
105.12442	0.2
174.99246	0.2
217.00284	1.2
253.25343	4.2
254.25711	0.5
256.38403	0.2
281.24896	1.0
282.25195	0.3
284.03384	1.0
297.24429	0.9
299.05533	0.7
299.25864	100.0
300.26218	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	299.1497
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
51.07916	0.4
53.83236	0.5
57.03437	7.9
59.01371	27.8
63.02446	1.0
65.04001	0.5
71.63427	0.7
74.06473	0.4
74.99110	0.6
83.01419	0.7
83.05024	0.8
85.02957	0.5
87.00861	5.2
89.02486	0.9
93.03494	2.0
101.02450	0.6
101.06137	0.6
105.01984	0.7
107.01427	2.2
111.04565	1.1
111.08148	0.8
120.99691	0.5
124.01555	0.6
128.52005	0.5
132.02228	0.5
133.02997	1.8
134.03796	0.7
135.00874	0.7
137.02431	2.5
137.06116	2.2
151.00395	2.0
199.04012	1.9
201.01839	0.7
204.38553	0.4
204.40858	0.6
211.04091	1.5
219.10268	0.5
227.03450	2.1
239.12875	5.8
255.02965	1.4
256.03680	5.0
257.13895	100.0
258.14243	7.0
263.58218	0.5
271.02527	2.0
283.02365	0.6
284.03217	54.7
285.03525	4.9
299.01993	5.5
299.05515	44.0
299.08978	1.2
299.14920	18.5
299.18311	1.0
300.02539	1.9
300.05878	3.2
300.15259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.5
70.89468	0.8
71.01377	2.0
73.02922	0.5
76.12942	0.3
83.01359	0.3
85.02928	1.0
93.03448	60.7
94.03761	2.2
101.02424	0.8
113.02438	0.4
137.02431	100.0
138.02769	3.8
138.05608	0.7
141.49377	0.3
161.04562	0.3
162.97934	0.3
202.87250	0.3
216.00096	0.4
218.08533	0.3
299.07706	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0768
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.24089	0.3
54.05191	0.4
55.01875	0.3
70.05592	0.3
70.94483	0.9
71.01384	1.9
73.02936	0.6
83.01356	0.4
85.02940	1.5
93.03448	58.8
94.03796	1.9
101.02436	1.1
113.02449	0.8
137.02428	100.0
138.02780	3.8
161.04556	0.4
171.35916	0.3
252.92696	0.4
299.07718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0769
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.01862	1.1
57.03432	3.7
59.01373	10.4
65.03947	0.9
68.99800	1.4
69.74666	2.7
69.75075	1.4
71.01376	30.4
72.99300	3.4
73.02937	1.3
74.99088	2.4
75.00868	19.8
83.01378	2.3
83.05042	0.7
85.02950	6.1
87.00879	5.3
87.06979	0.8
89.02436	2.2
90.98640	0.9
93.03450	64.7
94.03817	1.4
97.02933	2.0
99.00885	10.6
101.02461	2.0
102.98619	1.2
111.00885	1.8
113.02463	1.8
117.01912	1.1
121.02947	69.8
122.03277	1.4
129.01938	20.4
131.03497	2.5
135.04492	2.7
136.07722	0.8
137.02437	100.0
138.02789	3.7
138.05608	1.2
141.01968	2.6
144.83141	0.8
154.86362	1.0
159.03017	5.3
177.04033	32.1
177.19995	0.9
237.04195	1.5
255.02988	2.2
271.02493	1.7
284.03302	2.5
299.02029	2.0
299.07748	31.7
299.10831	1.8
300.02744	3.5
300.08112	2.6
309.29013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97069	0.3
59.01366	2.1
67.58928	0.3
70.48319	0.8
70.48701	0.8
71.01361	0.8
74.99085	0.4
79.95732	21.3
80.96507	19.9
80.96992	0.8
81.64381	0.3
85.02917	0.3
89.02410	0.9
91.98100	0.3
95.95223	14.1
96.95998	42.5
98.19961	0.4
107.01370	0.5
109.02950	0.4
119.03461	0.4
133.02930	0.9
133.06564	0.4
135.08142	4.8
135.98285	0.4
137.02452	0.9
137.09691	0.5
138.05621	0.4
160.08881	0.7
161.09593	0.3
163.11276	1.0
175.03902	0.4
175.11275	0.4
177.12770	0.4
189.12843	1.8
199.03944	1.0
201.02121	0.6
201.12834	1.2
204.11472	0.7
215.03398	0.8
217.00027	0.4
217.59320	0.4
219.13869	3.0
224.06691	0.3
227.03432	1.0
243.02962	0.6
255.02841	0.5
255.15869	0.4
256.03702	0.6
262.20450	0.4
271.02444	3.9
272.02847	0.6
274.17438	0.3
280.62012	0.4
284.00256	0.5
284.03238	8.3
285.03662	0.6
299.01999	6.5
299.05814	6.6
299.09512	100.0
300.02536	1.0
300.06274	0.7
300.09854	7.1
300.13260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0545
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01326	0.2
63.02387	1.7
65.00307	0.9
69.92087	0.3
69.92504	0.6
83.01386	1.6
100.78786	0.2
107.01379	3.5
110.98670	0.2
123.60984	0.2
125.02453	0.3
132.02133	0.4
133.02881	0.9
134.03716	1.5
138.67889	0.2
148.01622	0.7
149.02425	0.2
149.99559	0.7
151.00345	4.5
169.01485	0.3
172.05310	0.4
176.03943	0.4
183.04453	0.5
184.05101	0.3
187.03981	0.4
188.04773	0.5
195.04437	0.3
199.03969	0.7
200.04771	1.1
211.03992	1.5
212.04652	0.4
227.03481	2.7
228.04050	0.4
239.03470	0.5
255.02910	2.2
256.03729	9.3
257.04016	0.5
283.02353	1.3
284.03214	100.0
285.03558	9.6
299.05554	80.7
300.05875	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0557
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
61.25303	0.3
63.02391	0.6
65.00297	0.5
69.32560	2.4
72.85215	0.3
74.99077	0.3
80.94189	0.2
81.96655	0.3
83.01366	0.8
107.01373	1.5
125.02421	0.7
132.02135	0.8
134.03671	0.7
148.01642	0.3
149.02394	0.3
149.99580	0.3
151.00352	3.6
183.04459	0.5
188.04826	0.4
199.04054	0.3
200.04857	0.5
211.03908	0.4
227.03456	2.0
228.04103	0.4
239.03629	0.4
255.02933	1.6
256.03729	29.2
257.04123	2.1
283.02667	0.4
284.03217	100.0
285.03555	8.0
299.05560	73.4
300.05917	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0558
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01360	0.3
63.02392	1.7
65.00318	0.8
69.32836	0.2
69.33163	2.0
74.99089	0.3
83.01376	1.5
98.19781	0.4
103.80052	0.2
107.01376	3.4
123.00876	0.2
125.02387	0.2
132.02150	0.6
133.02931	0.9
134.03723	1.9
135.00903	0.2
137.02490	0.2
148.01651	0.5
149.02432	0.3
149.99557	0.4
151.00365	5.0
159.04498	0.2
163.00237	0.2
167.04951	0.2
172.05286	0.3
174.03249	0.3
183.04436	0.6
184.05251	0.3
184.73354	0.2
187.04007	0.7
188.04768	0.3
199.03940	0.8
200.04744	1.0
211.03926	1.4
212.04649	0.6
215.03424	0.2
227.03419	2.7
228.04115	0.4
239.03456	0.7
240.04024	0.2
247.79282	0.2
255.02939	2.0
256.03735	12.7
257.04065	0.8
267.02969	0.3
283.02438	1.4
284.03223	100.0
285.03571	8.0
285.06003	0.2
299.05566	81.3
300.05896	7.2
314.32764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16886	0.3
59.01370	3.3
68.41746	0.3
69.33552	1.1
69.33974	1.4
89.02430	0.4
125.09695	0.7
127.11276	2.1
153.12854	0.4
171.10248	11.2
172.10536	0.5
183.01129	2.4
184.01857	0.4
261.22287	0.4
265.58377	0.4
279.23233	12.3
280.23575	1.2
295.22714	0.7
297.15298	4.4
297.24289	100.0
298.21237	0.5
298.24640	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	297.2431
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01381	2.8
71.19673	0.4
75.95142	0.4
97.17610	0.4
121.34837	0.4
141.12843	1.6
141.39485	0.4
142.80609	0.4
155.10760	13.8
156.11079	0.6
171.10213	1.1
183.01180	1.5
237.09846	0.5
251.23811	0.5
261.22354	0.6
279.23254	13.1
279.29572	0.4
280.23547	1.0
295.22763	0.8
297.15369	3.3
297.24310	100.0
298.24677	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	295.2275
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03437	0.9
59.01376	4.2
59.40649	0.3
70.41253	1.1
74.30711	0.3
75.91687	0.4
85.02929	0.3
91.46989	0.3
97.05685	0.3
99.08130	0.4
113.09741	2.3
119.64304	0.3
171.10271	3.6
177.12901	0.7
179.14388	1.1
181.12328	0.6
191.17929	0.3
195.13887	16.6
196.14233	0.9
212.98218	0.3
251.23854	0.4
252.72171	0.4
277.21698	20.3
278.21979	1.9
295.22757	100.0
296.23111	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	295.2274
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03424	0.7
58.61541	0.5
59.01355	1.5
64.06821	0.4
66.13104	0.4
69.33927	2.8
69.34345	1.1
99.08137	0.4
125.09677	1.2
141.12808	0.8
151.11273	0.5
157.38800	0.5
171.10246	32.8
172.10632	1.2
183.10214	1.3
233.22719	0.6
259.20605	0.9
277.21686	42.8
278.22009	3.6
295.22739	100.0
296.23071	10.7
296.26172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
57.03725	0.9
59.01369	4.1
59.49442	0.9
66.08311	0.7
71.07551	1.8
113.09711	2.2
155.02750	0.9
179.14410	1.2
183.13921	4.3
187.26633	0.9
195.13872	27.8
196.14243	2.0
277.21674	22.2
277.24698	1.1
278.21878	2.5
295.22733	100.0
296.23102	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	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.11115	0.4
57.03403	0.4
57.80705	0.4
59.01372	7.3
61.63443	0.3
61.98829	0.5
69.03428	0.4
71.01377	0.7
71.03600	0.4
71.57752	0.6
83.05009	0.8
96.96000	0.9
97.06571	0.4
98.95604	1.9
98.96449	0.4
101.02397	0.4
112.98529	0.4
127.11278	1.4
141.12845	9.6
155.14427	3.5
156.14664	0.4
171.10263	0.5
235.08224	0.8
249.22168	9.2
250.22491	0.8
277.21710	1.2
295.22733	100.0
296.23090	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	295.2273
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
58.80818	1.2
59.01373	34.9
61.98815	1.9
68.99551	2.2
71.01362	2.8
71.62508	1.4
101.02457	2.3
112.98552	4.8
128.79263	1.2
149.78603	1.1
155.19257	1.2
161.04465	1.4
161.58127	1.2
195.13925	1.5
235.08116	1.8
237.79677	1.2
251.23915	1.2
277.21439	4.0
295.22745	100.0
296.23026	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	297.2431
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01379	2.5
70.62637	1.1
70.63015	0.9
70.65748	0.4
71.18783	0.4
73.00159	0.4
79.37982	0.4
82.80576	0.5
113.61401	0.5
155.10812	0.5
161.88396	0.4
171.10188	1.0
183.01195	1.3
251.23727	1.1
253.25266	1.1
279.23203	2.1
297.15454	2.8
297.24307	100.0
298.24643	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41468	0.5
69.03458	1.0
70.78769	1.5
70.79170	0.4
71.05036	0.5
72.99311	0.5
80.35700	0.5
96.96029	0.7
99.08159	0.5
112.09372	0.4
113.09721	0.9
121.10236	0.9
123.56965	0.5
125.09747	0.7
138.85519	0.5
139.11292	3.0
141.25458	0.5
153.12865	1.3
171.10181	0.8
191.17979	3.5
220.14677	0.9
221.15390	2.0
224.14110	0.5
236.10570	2.1
247.20602	3.0
251.04076	0.6
275.20078	2.2
293.21188	100.0
294.21524	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	295.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88972	1.3
52.70247	1.3
55.01857	2.5
55.77148	1.5
56.43594	1.5
57.03441	14.8
58.17102	1.5
59.01373	9.1
60.78675	1.4
69.45297	5.9
69.45722	5.5
71.01373	22.6
72.99305	42.3
75.00877	8.6
83.01381	1.5
84.02160	2.6
84.32838	1.6
85.02945	86.1
86.03273	1.5
96.95982	6.2
102.35359	1.6
103.69608	1.3
111.00871	4.2
121.02945	52.4
129.01923	7.1
133.06534	3.5
135.04501	10.4
161.06068	2.6
186.86162	1.4
189.05487	3.1
235.07207	2.9
251.05591	100.0
252.05910	6.0
295.04700	3.2
295.08679	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	295.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09742	0.8
55.52762	0.7
57.03434	1.8
58.00581	2.8
59.01373	71.2
60.01716	1.2
71.01376	31.5
71.60672	1.1
72.99292	2.3
73.02910	1.2
74.99092	1.6
75.00858	2.2
80.32375	0.8
83.01366	1.6
85.02944	10.4
87.00873	2.1
87.04491	1.4
89.02435	41.1
95.01402	1.9
96.95993	3.1
99.00897	1.0
101.02435	24.2
102.02723	0.7
103.00345	1.9
112.98810	1.1
113.02435	14.9
115.00363	2.4
115.03996	5.7
119.03489	17.6
119.18592	0.7
131.03470	2.5
133.05048	10.2
136.99159	1.3
143.03511	1.9
149.04471	0.7
161.04550	2.6
179.05551	2.5
230.64220	1.0
235.08231	1.3
237.06139	0.8
295.10306	100.0
296.10663	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52804	0.3
53.16191	0.3
55.01880	1.0
55.31591	0.4
56.63545	0.4
56.68953	0.4
57.03450	1.1
58.00610	2.0
59.01374	58.6
60.01709	0.8
69.74676	0.3
71.01376	30.0
71.05030	0.6
71.50324	0.5
72.01717	0.6
72.99302	3.0
73.02946	1.6
75.00858	2.0
83.01381	2.3
85.02946	8.5
87.00858	1.8
87.04514	1.9
88.98803	0.6
89.02439	35.5
90.02774	0.8
95.01392	2.2
97.02967	0.5
98.95654	0.5
99.00866	0.5
101.02435	20.8
102.02767	0.7
103.00376	1.4
111.00914	0.5
112.98785	1.2
113.02444	12.0
115.00377	1.1
115.04013	4.2
119.03493	15.2
120.03764	0.4
120.99597	0.5
121.02939	1.4
125.02380	0.4
129.01936	1.0
131.03476	1.9
133.05063	9.3
134.05315	0.4
143.03510	1.2
145.01405	2.2
149.04555	1.1
161.04527	1.8
173.00880	0.8
179.05612	1.7
199.06526	0.4
237.06078	0.5
295.10306	100.0
296.10602	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01373	100.0
60.01712	1.0
70.61073	1.3
71.01366	2.3
72.99312	1.6
73.02955	0.8
85.02940	4.2
96.96014	1.1
101.02440	1.5
116.37784	0.4
121.02940	3.1
128.08946	0.4
129.01949	1.6
135.04510	0.6
149.05513	0.4
159.08517	0.8
161.04483	0.6
161.06075	0.9
189.09595	0.9
199.53697	0.4
207.10661	1.6
211.56577	0.4
212.56969	0.4
235.11809	4.1
251.05623	4.0
295.08612	0.9
295.12305	1.8
298.54248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.06828	0.5
54.29376	0.5
59.01380	3.2
61.85160	0.5
70.47055	1.7
71.01349	0.8
83.04982	0.7
84.89272	0.5
97.06525	0.6
121.10226	38.2
122.10563	0.9
125.09682	1.6
127.07600	0.6
127.11269	0.9
131.87086	0.5
149.09682	0.8
171.10249	65.9
172.10561	1.7
177.16449	1.7
183.13843	1.5
185.11812	3.4
197.11772	0.8
211.13347	1.1
231.21112	4.9
275.20120	100.0
276.20465	6.2
293.21194	63.0
294.21545	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46352	1.1
58.54028	1.1
59.01371	4.5
59.39907	1.1
70.47430	3.2
71.01363	1.6
71.05012	4.3
71.18580	1.4
75.95524	1.2
82.45927	1.1
102.51394	1.5
107.32425	1.3
127.69071	1.3
171.10234	1.5
175.28583	1.2
209.15451	2.7
221.15425	3.4
223.16974	6.1
231.03398	1.3
231.21138	4.1
235.16998	43.7
236.10492	2.1
236.17322	4.2
274.33209	1.5
275.20117	45.6
276.20462	6.0
293.08975	2.7
293.21201	100.0
294.21494	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85675	0.6
57.03428	1.4
64.28918	0.5
69.03453	0.5
70.36633	1.6
80.62005	0.4
84.89712	0.4
97.06596	1.0
98.20705	0.5
125.09731	4.4
141.12848	1.0
144.26938	0.4
149.09712	1.9
185.11795	9.5
197.11778	2.2
213.42172	0.4
220.54991	0.4
249.22186	0.7
258.00073	0.5
293.21201	100.0
294.21542	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46660	0.5
57.03430	1.0
59.01372	3.5
61.98828	1.3
67.76710	0.5
69.03432	0.5
69.69659	3.7
71.01360	1.4
74.68896	0.6
83.05031	0.9
96.95981	1.1
98.20556	1.1
112.60561	0.7
121.10235	0.8
123.08161	1.4
136.08900	1.1
139.11276	0.9
151.11215	1.8
152.91801	0.7
153.09297	0.6
169.12302	2.6
171.10286	1.4
182.17720	0.6
192.11566	1.5
193.15921	2.8
194.92773	1.6
197.11792	31.3
198.12090	1.7
203.85361	0.5
220.14621	5.6
221.15421	11.2
222.15706	1.0
231.21089	0.9
232.87302	0.9
236.10526	9.0
249.18504	1.0
249.22379	0.7
275.20099	21.4
276.20471	2.0
288.56802	0.5
293.21173	100.0
294.21454	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	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13663	0.5
53.55567	0.6
55.01874	1.0
58.00575	1.6
59.01376	37.6
63.54846	0.5
69.03425	0.5
69.66188	3.1
69.66592	1.4
71.01376	18.3
72.99298	1.4
73.02930	1.5
83.01388	1.6
85.02952	4.8
85.06581	12.4
89.01904	1.3
89.02441	20.4
89.02991	1.1
95.01380	1.8
99.08100	0.6
101.02436	12.8
113.02443	7.6
113.06091	4.3
115.07625	2.0
117.85972	0.7
119.03494	7.6
120.32230	0.6
127.07635	2.4
131.03410	1.1
131.07130	55.0
132.07455	1.7
149.04517	0.7
160.65607	0.6
173.08151	2.2
179.05598	0.6
209.55659	0.7
233.09012	0.6
285.01315	0.6
293.12393	100.0
294.12753	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	293.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92484	0.1
57.03513	0.2
59.01359	0.4
61.98814	0.2
71.01374	8.4
71.62959	0.2
72.01711	0.1
82.00039	0.1
83.53175	0.1
96.95996	0.2
101.06001	0.1
127.07658	0.9
148.05276	1.0
148.71602	0.1
149.06073	0.2
151.07619	0.7
164.08377	1.3
165.09050	0.2
171.10168	0.1
177.09201	4.5
178.09535	0.2
190.09962	0.3
191.10860	0.3
192.11536	7.2
193.11937	0.7
205.12308	6.6
205.14272	0.2
206.12704	0.5
207.13890	1.7
217.08675	0.5
218.09416	1.8
220.14658	49.3
221.15421	100.0
222.15779	9.0
232.87404	0.3
235.13312	0.9
236.10500	72.1
237.10880	6.2
248.87260	0.1
253.14580	0.4
293.17563	11.5
293.20853	0.6
294.17828	1.1
298.33380	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01360	1.7
69.03444	0.8
70.09263	0.7
71.17113	1.4
102.61830	0.7
109.06576	1.9
113.09717	1.5
144.69878	0.8
148.87337	0.8
167.10693	0.8
179.14410	1.1
182.13033	0.9
183.13873	27.2
184.14207	2.0
195.13858	11.1
196.14528	1.1
205.12175	1.5
211.13377	8.0
212.13612	0.9
220.14758	0.9
221.15361	1.2
223.13344	9.3
224.13750	1.1
231.21075	0.9
233.13753	0.7
236.10477	1.2
249.18393	1.0
249.22330	0.9
256.13120	2.4
265.21643	2.1
275.20114	13.1
276.20615	0.8
293.21191	100.0
294.21490	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	293.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.6
59.01371	5.1
71.01375	1.2
71.63066	0.5
83.05007	0.4
85.06586	0.5
96.96018	0.4
97.06580	0.7
102.59263	0.3
109.06603	0.7
112.81689	0.4
113.09714	19.6
114.10018	0.7
121.10222	1.9
139.11267	2.4
149.09700	0.5
152.91771	0.5
167.10767	2.1
171.10262	4.7
177.12802	0.8
179.10750	2.3
185.11783	0.7
192.11604	0.7
193.15900	0.3
195.13870	2.9
205.12206	0.6
206.12660	0.4
220.14650	4.5
221.15436	8.7
222.15665	0.8
225.51465	0.3
232.87344	0.5
233.10341	0.7
236.10506	6.6
237.10986	0.4
249.22238	2.3
275.20114	5.8
276.20404	0.6
293.21185	100.0
294.18103	0.7
294.21512	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	293.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23006	0.5
55.01859	0.8
57.03440	0.9
58.00579	1.7
59.01374	37.7
69.83917	2.9
71.00987	0.9
71.01377	17.5
72.99292	1.5
73.02949	1.2
74.95127	0.6
83.01373	1.8
85.02945	3.6
85.06583	14.4
87.00853	1.1
89.02440	18.3
95.01369	1.2
98.20592	1.2
99.00861	0.9
101.02438	13.0
113.02448	7.7
113.06084	3.5
115.07607	1.4
119.03497	6.9
127.07610	2.2
131.07129	57.3
132.07468	2.1
143.03513	0.8
170.18892	0.8
173.08157	1.4
179.05585	1.0
293.12384	100.0
294.12799	6.7
306.28397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1963
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01358	0.4
70.93064	0.7
95.05036	0.3
97.06563	0.4
98.43259	0.2
100.22816	0.2
106.76031	0.2
119.04993	0.5
121.02927	0.4
125.06056	0.4
127.11218	0.2
128.19315	0.2
134.87347	0.2
148.08899	1.9
149.09741	0.4
150.10446	0.8
151.11272	0.4
163.11223	0.9
163.41606	0.2
165.12820	19.7
166.13109	1.3
175.11255	0.5
176.12024	0.8
177.12727	0.5
178.10252	0.2
179.14526	0.3
191.14351	0.5
209.04597	0.2
217.15884	0.4
245.18956	0.3
247.18044	0.5
247.20628	10.8
248.20947	0.7
273.18576	6.2
273.21313	0.3
274.18884	0.8
291.19611	100.0
292.19971	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	291.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
71.07695	0.6
71.08036	0.7
76.05705	0.4
87.12910	0.4
93.07071	0.8
97.06571	1.4
121.10221	8.9
123.08144	0.9
125.09715	5.2
130.16466	0.4
141.12817	0.8
147.08127	0.6
185.11807	11.0
186.12148	0.5
188.03748	0.4
197.11800	2.9
209.11800	1.6
211.13290	1.1
223.13336	0.7
247.13525	0.7
247.20647	0.8
273.18533	1.0
291.19623	100.0
292.19949	10.4
301.39548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.43196	0.5
59.01374	0.8
61.98812	0.6
69.54873	2.1
69.55307	1.3
73.02940	41.5
73.06714	0.4
74.03293	0.9
79.95770	0.5
97.12929	0.4
98.20595	0.9
101.99902	0.4
121.02924	0.6
121.10216	0.8
122.91692	0.4
125.09744	0.7
174.09282	0.4
185.11786	1.5
209.04430	0.8
222.10806	0.5
273.18829	0.5
273.75757	0.5
291.19629	100.0
292.19986	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	292.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
58.02952	0.7
59.01373	4.2
71.01365	0.8
71.30808	0.6
71.62612	0.8
76.52207	0.6
96.95964	0.5
113.09712	1.4
121.10201	0.9
122.03342	0.6
125.09724	1.6
141.98027	0.7
149.09633	1.0
152.91745	1.9
156.13914	100.0
157.14255	4.4
165.12840	0.8
185.11801	3.6
192.11583	0.8
194.92769	1.2
200.12877	3.7
201.46597	0.6
205.12384	1.0
220.14650	4.7
221.15425	8.2
232.87454	1.3
236.10420	6.2
248.20834	0.7
249.22211	0.7
275.20105	1.1
292.19955	18.1
293.17722	2.6
293.21167	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1913
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
57.03441	0.9
58.02952	0.7
59.01373	4.2
71.01365	0.8
71.30808	0.6
71.62612	0.8
76.52207	0.6
96.95964	0.5
113.09712	1.4
121.10201	0.9
122.03342	0.6
125.09724	1.6
141.98027	0.7
149.09633	1.0
152.91745	1.9
156.13914	100.0
157.14255	4.4
165.12840	0.8
185.11801	3.6
192.11583	0.8
194.92769	1.2
200.12877	3.7
201.46597	0.6
205.12384	1.0
220.14650	4.7
221.15425	8.2
232.87454	1.3
236.10420	6.2
248.20834	0.7
249.22211	0.7
275.20105	1.1
292.19955	18.1
293.17722	2.6
293.21167	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.15121	0.4
57.03454	0.9
58.00589	3.5
58.99588	1.2
59.01374	78.0
60.01703	0.9
63.85575	0.5
69.03446	8.8
70.82435	0.4
71.01377	84.0
71.61913	0.6
71.62388	0.5
72.01711	1.2
72.99295	4.2
73.02941	19.2
74.99069	2.3
75.00868	2.5
79.01878	0.9
79.10482	0.4
79.95721	0.4
81.03448	5.3
83.01371	5.8
83.55170	0.5
85.02942	11.6
87.00865	4.4
87.04512	3.4
89.02437	100.0
90.02761	1.9
95.01373	3.6
96.96004	1.0
97.02944	14.4
99.00872	21.5
99.04490	1.5
99.08964	0.5
101.02434	22.1
107.01364	0.9
111.00888	1.1
113.02442	5.7
115.04000	6.8
119.03442	1.3
123.00837	0.6
125.02435	39.2
126.02768	1.2
127.03963	1.6
131.03481	7.3
135.98264	0.6
136.99138	2.3
143.03500	3.4
149.04533	7.9
161.04492	2.0
173.04500	0.7
175.05997	0.5
175.09673	0.7
187.07895	0.6
191.05630	6.0
215.05496	0.7
233.06619	18.1
234.06834	0.7
293.08588	5.6
293.21219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
59.58275	0.6
61.01159	2.6
71.63296	0.8
73.01170	1.1
83.01397	1.4
87.00892	2.0
96.96022	0.8
103.02235	3.8
173.09985	2.2
175.39038	0.7
178.98805	0.8
185.10097	0.7
193.11807	0.8
203.11087	100.0
204.11417	6.1
245.32930	0.7
291.12674	92.3
292.13058	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	1.5
69.83340	1.8
70.21297	0.3
71.01357	0.5
73.09217	0.3
74.99073	1.7
82.02975	6.7
82.34567	0.3
85.02998	0.4
87.00865	0.6
95.01382	10.8
119.05009	4.6
120.99664	1.8
132.04535	0.4
136.99144	1.1
138.05446	0.4
139.00366	1.9
141.02022	0.4
146.06110	0.6
159.08492	1.3
163.03993	4.6
173.03438	0.4
173.07240	0.4
174.05537	0.8
188.07158	1.4
203.11099	100.0
204.11424	5.5
215.08293	1.2
216.06628	1.4
217.06146	2.4
229.05083	0.6
231.07657	2.9
232.08292	0.7
247.02313	0.4
259.07230	4.8
276.07303	0.6
284.90570	0.4
291.05466	3.6
291.09714	13.1
291.12738	36.0
292.05548	0.4
292.09958	1.0
292.13095	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	291.1083
Annotation	Itoside L
Peak:m/z	Relative Intensity
51.81372	1.5
55.01865	5.2
57.03429	5.4
58.00578	4.1
58.22720	1.5
59.01374	91.3
62.37046	1.2
65.22996	1.2
67.05514	4.1
69.03418	1.4
71.01374	100.0
71.05022	3.0
72.01686	2.5
72.99298	5.8
73.02940	22.7
74.39608	1.4
74.94120	1.5
75.00860	2.2
80.96508	2.2
83.01375	16.9
85.02941	39.7
87.00853	5.3
89.02435	57.5
95.01376	8.5
96.95983	2.6
97.02965	1.4
98.19800	2.7
98.95580	3.5
98.96354	1.6
99.00857	7.1
100.06821	1.2
101.02434	74.1
102.02804	1.3
111.00864	2.4
111.04504	5.6
113.01682	2.8
113.02439	41.0
114.02750	1.5
118.01372	1.5
119.03492	23.9
120.99615	4.1
125.02418	3.1
129.01912	2.3
129.05548	8.9
131.03442	2.3
143.03453	3.2
147.06570	3.7
149.04497	2.2
159.02927	5.5
161.04539	26.9
161.05928	2.3
179.05664	2.5
229.38077	1.6
232.77264	1.2
247.11812	18.7
290.59491	1.4
291.07660	3.4
291.10809	43.1
291.19388	1.7
292.11072	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	291.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56528	0.2
59.01361	0.2
69.51174	1.0
69.51582	0.5
74.99072	0.2
79.95722	0.6
87.02739	0.5
96.96001	100.0
97.95914	0.3
97.96504	0.2
108.96667	0.2
132.36536	0.2
169.83713	0.2
204.74248	0.2
291.09058	17.5
292.09399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56528	0.2
59.01361	0.2
69.51174	1.0
69.51582	0.5
74.99072	0.2
79.95722	0.6
87.02739	0.5
96.96001	100.0
97.95914	0.3
97.96504	0.2
108.96667	0.2
132.36536	0.2
169.83713	0.2
204.74248	0.2
291.09058	17.5
292.09399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98030	1.0
57.03432	1.4
58.99590	1.6
59.78825	0.4
63.96235	9.2
71.07562	0.5
71.07880	0.7
72.99297	7.4
73.98303	4.7
74.99090	28.2
81.03449	1.4
83.01389	1.2
83.53757	0.4
85.01142	0.6
87.00868	9.9
87.86951	0.5
95.05008	1.4
96.96002	1.7
97.02924	3.0
108.02179	1.1
109.02949	9.3
109.06499	0.4
111.08154	4.7
115.48846	0.4
115.57599	0.4
117.97311	2.4
120.99648	1.9
121.02936	1.5
121.06525	0.5
123.04512	6.3
125.02425	6.4
135.04507	1.1
135.98357	4.7
136.99129	11.7
137.02441	3.2
137.09712	8.0
139.03978	1.6
146.03700	0.7
149.02432	1.4
149.09618	0.6
150.03210	0.5
151.04015	3.1
159.04526	0.7
161.06056	2.0
163.04008	0.4
164.01120	1.5
165.01849	1.4
165.07410	1.0
167.03458	0.9
175.03973	0.9
179.03450	2.0
183.07016	0.6
183.08435	3.0
184.08910	0.5
185.06056	0.4
187.03979	0.9
188.04738	1.8
201.09529	72.3
202.06313	0.8
202.09856	5.0
203.07103	4.5
205.05002	3.6
221.08203	1.1
227.07153	0.7
227.11101	0.8
245.08148	6.8
271.10065	8.9
272.10428	0.7
289.07260	22.5
289.11139	100.0
290.07611	1.6
290.11459	7.9
290.14471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1113
Annotation	Carbinoxamine
Peak:m/z	Relative Intensity
51.09824	0.5
56.98035	0.9
58.99599	6.1
63.96225	1.7
69.72984	3.1
71.95736	0.6
72.99289	3.3
74.99089	17.2
79.95737	5.5
87.00863	5.2
87.29250	0.7
89.00668	0.8
96.96001	74.6
97.95885	0.6
111.08149	15.2
120.99641	1.2
121.34483	0.5
122.01915	1.2
134.81438	0.5
135.98360	3.0
136.99126	10.6
165.07405	2.3
183.08475	10.5
197.72394	0.6
201.09528	6.8
271.10141	3.5
289.11111	100.0
290.11520	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	289.1808
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.03443	0.9
59.01371	4.3
61.98815	1.3
69.50636	4.1
71.01351	0.7
71.05023	0.6
80.02660	0.9
81.03444	0.8
83.05019	1.7
95.04987	0.9
96.95975	1.1
97.06573	1.2
101.21243	0.6
106.04218	1.0
107.05019	0.9
109.06593	6.2
111.08132	2.2
119.08683	0.9
121.06496	0.7
121.10222	0.7
123.08153	1.9
135.08110	1.8
137.09682	2.7
142.89528	0.7
145.06612	1.4
149.09679	3.0
151.11247	3.8
167.10725	1.5
170.88300	0.9
175.11281	0.7
177.12816	2.3
181.12331	0.9
191.14377	2.0
195.13939	0.8
217.15915	0.7
227.18092	0.6
243.17574	0.6
245.19095	13.1
246.19528	0.7
271.17020	5.8
273.14886	0.9
274.72650	0.6
287.16345	1.1
289.18063	100.0
290.18417	9.1
294.76660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98023	1.7
58.99582	0.5
59.22514	0.5
60.97503	0.9
63.96228	6.5
64.28609	0.5
70.90106	1.5
72.99308	10.0
73.23859	0.6
73.98312	4.2
74.99094	45.0
87.00871	9.5
95.05002	0.6
96.96000	1.0
110.04922	0.5
111.08139	1.1
117.97287	3.1
118.98159	0.8
120.99632	1.3
135.08141	2.1
135.98349	9.5
136.99141	24.1
137.09711	34.6
138.10097	1.3
173.11905	0.7
183.08444	4.9
183.09950	0.8
201.09529	23.2
202.09677	1.1
227.11055	0.9
227.48366	0.6
271.10080	7.2
272.10187	0.7
289.11127	100.0
290.11514	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	289.0715
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.75816	0.5
56.02176	0.6
57.03443	3.6
61.44522	0.6
69.03456	1.0
69.66013	2.8
72.00843	0.7
80.02653	0.6
81.03436	4.3
83.01384	3.7
93.03430	2.2
95.01357	1.1
95.04989	4.4
96.95992	2.7
97.02944	9.2
98.20551	0.7
107.05022	0.8
108.02208	0.9
109.02943	34.8
110.03275	1.3
121.02941	4.5
122.03738	2.2
123.04523	21.0
124.04823	1.4
125.02443	21.9
126.02750	0.8
135.04518	2.6
137.02429	13.5
138.03157	1.0
139.04013	4.7
145.02922	1.5
146.03780	0.9
147.04446	0.6
149.02438	6.2
150.03200	1.7
151.03990	12.4
152.04317	0.8
159.04521	3.5
160.05232	1.1
161.02452	1.6
161.06075	4.5
162.03198	1.9
163.03984	1.7
164.01138	4.5
165.01915	4.5
167.03505	2.0
173.06068	1.4
175.03967	2.5
175.07614	2.5
175.09012	0.7
177.05544	0.9
179.03484	9.1
185.06021	1.1
187.04012	5.2
188.04742	4.0
199.07646	1.2
201.05522	1.0
202.06290	2.2
203.07091	15.6
204.07515	0.9
205.05057	11.5
221.08147	5.3
227.07140	2.2
245.08150	28.6
246.08514	1.4
247.06042	1.7
271.06107	1.5
289.07147	100.0
290.07452	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	289.0714
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
54.88961	0.3
55.96454	0.3
57.03443	4.0
59.01365	0.9
63.47803	0.3
63.96238	0.9
65.03972	0.4
67.01900	0.4
68.99822	0.4
69.03465	1.6
69.38033	2.6
71.96407	0.3
72.99297	1.1
73.98322	0.3
74.99095	3.1
80.02663	0.9
81.03453	4.7
81.54710	0.4
81.95251	0.3
83.01387	5.3
85.02935	0.7
87.00863	1.0
91.71062	0.3
93.03452	3.1
95.01381	1.2
95.05019	6.0
96.95517	0.2
96.96001	7.1
97.02314	0.7
97.02941	11.9
98.19868	0.7
98.95586	13.7
98.96417	2.4
99.04522	0.7
105.03425	0.4
107.05035	1.0
108.02175	1.6
109.02946	42.2
110.03271	1.1
111.04536	0.5
111.08158	0.7
117.03449	0.7
120.99589	0.5
121.02941	6.2
121.22053	0.3
122.03760	1.9
123.00928	0.5
123.04515	27.7
124.04841	1.2
125.02435	25.2
126.02798	0.8
131.05057	0.5
133.02933	0.6
135.04512	3.3
135.98351	0.9
136.99118	2.3
137.02429	12.7
137.09709	0.8
138.03206	1.2
139.03996	6.8
140.04359	0.5
143.04955	0.5
145.02933	1.7
146.03731	1.8
147.04494	1.2
149.02428	6.2
149.06064	0.5
150.03236	1.9
151.03993	15.1
152.04404	0.6
157.06581	0.6
158.03641	0.4
159.04509	4.3
160.05299	2.3
161.02435	1.6
161.06061	7.4
162.03174	2.5
163.04042	1.5
164.01129	4.3
165.01921	5.5
165.07416	0.5
166.02585	1.0
167.03497	3.1
173.06062	1.8
174.03238	0.8
174.06847	0.5
175.04010	2.8
175.07635	2.8
177.05580	1.1
179.03481	9.6
180.03920	0.4
183.08441	1.3
185.06056	1.6
187.03978	7.0
188.04774	6.1
189.05243	0.7
191.05627	0.3
199.07591	1.1
201.05548	1.5
201.09521	5.6
202.06313	3.2
203.07117	18.6
204.07458	1.4
205.05034	11.9
206.05431	0.7
212.04813	1.0
217.05077	0.7
217.08665	0.8
221.08151	5.5
221.10251	0.5
225.63988	0.3
227.07158	3.7
229.05101	0.6
230.05815	1.5
231.02945	0.9
245.08157	30.0
246.08472	1.7
247.06096	1.6
271.06155	1.4
271.10031	0.6
289.07162	100.0
289.10968	9.4
290.07504	7.3
290.11154	0.8
304.71750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
74.04240	0.3
79.95730	4.1
80.96509	1.4
81.03460	0.3
87.00322	0.5
87.00858	6.1
87.59638	0.3
93.03463	0.4
94.98092	0.4
96.96001	100.0
97.02925	0.5
109.02953	2.1
109.26144	0.3
121.02945	24.7
122.03280	0.7
122.97576	8.7
123.04516	1.8
125.02412	1.6
137.02396	0.9
138.97063	10.5
139.04054	0.3
151.04010	0.8
161.02391	0.3
161.06139	0.4
163.15292	0.3
166.96547	5.4
179.03413	0.8
194.05797	0.4
203.07130	1.1
205.05054	0.4
206.50177	0.3
209.04533	4.2
209.08112	0.6
245.08127	1.6
289.00238	11.0
289.03577	0.9
289.07083	5.6
289.16492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.77596	0.5
59.01370	2.2
61.98837	0.6
66.39030	0.5
69.76732	2.5
95.04984	0.4
96.95986	0.8
117.07079	0.6
120.84679	0.5
121.48727	0.4
123.69557	0.4
125.02409	0.7
135.04466	0.7
146.84749	0.5
211.20634	10.0
212.20988	0.5
239.20143	7.9
241.21677	20.0
242.22052	2.1
243.17497	1.9
247.48624	0.5
287.01877	0.9
287.04855	2.0
287.16638	4.7
287.22253	100.0
288.16138	0.9
288.22574	7.3
303.84210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1602
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01369	0.7
61.98835	0.4
65.15518	0.3
71.01389	0.3
71.19206	0.6
76.14621	0.3
81.03452	1.7
89.76270	0.3
92.05061	1.3
93.03445	1.8
107.03770	0.6
108.02174	0.4
108.04547	5.5
109.02934	5.6
112.98829	0.3
121.02935	0.4
124.01656	0.4
134.01680	0.6
134.02463	35.6
135.03270	8.5
136.04024	38.2
137.02426	1.4
137.04372	1.2
138.24014	0.3
139.88583	0.3
145.02893	0.4
147.04552	0.3
148.04037	1.2
149.04788	0.8
155.03017	0.3
155.84554	0.3
176.03496	5.0
177.04230	0.6
181.03773	0.6
187.07610	0.4
190.05048	0.5
197.90331	0.4
198.33456	0.3
246.01524	0.3
288.16006	100.0
289.07037	0.3
289.16254	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	288.987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20276	0.4
59.01357	1.0
60.43768	0.5
67.80775	0.5
71.01377	1.3
71.61211	0.6
72.99329	0.5
78.95897	4.5
79.95735	1.9
85.02944	0.6
87.00858	1.3
95.01363	0.7
96.96003	100.0
96.96918	12.4
108.11971	0.4
109.02939	1.1
115.00445	0.4
118.98073	0.5
120.99654	2.1
123.00857	2.7
129.01942	0.8
139.99353	1.6
142.99875	2.2
153.01921	3.1
155.07080	0.8
155.98868	1.5
159.01216	0.4
166.99817	0.6
167.03419	0.6
169.01474	0.6
173.00867	2.4
182.97530	1.1
183.98306	3.6
184.97665	0.5
191.05576	2.8
199.97821	6.6
200.98607	11.7
202.98759	0.8
203.95000	0.4
233.33580	0.4
237.26521	0.4
272.67014	0.5
289.00272	2.8
311.94110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1649
Annotation	D-Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione
Peak:m/z	Relative Intensity
59.01363	2.3
61.98840	0.9
96.96024	0.9
98.20732	1.2
101.02451	0.7
106.04235	55.5
107.04531	2.0
107.05132	1.1
108.02155	2.0
121.02930	1.7
138.03214	28.8
139.03519	0.9
153.12845	4.1
181.12338	7.3
227.47923	0.7
243.17494	100.0
244.17853	8.9
287.04749	1.1
287.16513	17.9
287.22128	2.6
288.16617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61028	0.9
59.01365	3.8
61.98820	0.9
65.00336	1.1
67.16868	0.8
69.51592	6.5
73.01292	0.9
77.66644	0.8
81.40087	0.9
98.19809	1.6
123.04620	0.9
125.02402	0.9
135.04517	3.1
145.02930	1.0
147.62936	0.9
148.01248	0.9
148.91583	0.9
151.00377	1.8
205.24397	1.0
207.17519	4.9
223.17004	1.1
225.18581	21.9
226.18942	2.0
241.18057	35.0
241.21707	1.7
242.18468	2.4
269.17609	4.8
269.21231	1.3
287.04486	4.4
287.18658	100.0
287.22165	13.3
288.18988	8.1
288.22073	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2226
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.08966	0.3
59.01373	0.5
68.18964	0.3
71.07665	0.5
85.47027	0.4
99.08167	1.6
129.09186	0.8
135.04453	0.6
141.12865	2.0
142.92747	0.3
155.14391	0.7
172.05630	0.3
241.21718	0.9
269.21155	3.3
285.20718	1.7
287.22244	100.0
288.22583	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	287.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.2
70.93714	0.4
79.95726	1.1
96.96001	100.0
97.95922	0.5
105.97802	0.2
107.01386	0.4
125.02425	0.2
135.04475	1.8
151.00330	1.7
287.04846	0.3
287.06216	0.2
287.09525	5.9
288.09872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80440	0.5
57.03447	1.0
59.01360	1.5
67.09085	0.4
72.99314	0.6
74.99090	0.6
75.00861	1.7
80.96503	1.4
85.02956	0.7
89.02398	0.5
120.99648	100.0
121.99966	1.0
125.02434	2.5
135.02977	3.6
152.12323	0.5
153.43822	0.5
225.93619	0.5
287.05417	0.9
287.10300	3.2
287.15036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0771
Annotation	Dianthoside
Peak:m/z	Relative Intensity
59.01378	1.9
60.57807	0.2
60.84132	0.2
63.20663	0.2
69.03447	3.4
70.15829	0.5
70.16225	0.5
71.01363	0.3
73.02953	0.2
79.01884	0.9
81.03443	0.7
83.01366	1.5
95.01386	0.5
96.04552	0.3
96.17596	0.2
97.02943	3.0
107.01375	1.5
120.99646	0.3
123.00879	0.8
124.01688	1.5
125.02432	100.0
126.02778	2.4
130.08722	0.4
139.05128	2.2
167.04601	4.1
227.00578	0.3
281.78598	0.2
287.08090	6.6
288.07956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
60.63228	0.4
60.97517	1.2
62.42054	0.4
63.02378	0.8
65.00323	4.2
68.49712	0.4
70.00417	1.8
73.98318	3.3
74.99089	100.0
75.99429	0.8
79.00383	0.5
83.01381	1.6
98.19801	0.5
105.69724	0.4
107.01384	5.4
109.02922	0.8
116.09940	0.6
120.99648	4.4
125.02423	1.8
133.02893	0.8
134.03780	0.9
135.04509	30.1
136.04848	0.9
136.99130	58.7
137.99442	1.3
138.01492	0.8
151.00352	26.5
152.00720	0.5
181.06871	1.6
199.08022	1.1
217.57973	0.5
222.72348	0.5
239.38408	0.5
287.05167	7.9
287.09647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
79.95737	1.1
96.96000	100.0
97.95940	0.2
123.31181	0.1
135.04478	0.1
137.66020	0.1
161.72009	0.1
163.11256	0.3
167.83813	0.1
204.68080	0.1
287.04361	0.5
287.09528	3.1
287.18338	0.2
288.09677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2069
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
55.87928	0.3
57.03432	1.5
58.26361	0.4
59.01374	3.2
61.98811	0.5
62.83776	0.4
63.02390	0.7
65.00315	1.6
70.73056	0.4
78.95903	2.2
83.01383	1.1
83.05015	0.4
93.03435	0.9
97.06583	1.0
104.77312	0.4
107.01390	2.7
116.88788	0.3
117.04897	0.4
121.02944	3.8
123.04522	6.1
124.04877	0.6
133.02945	14.1
135.04465	0.5
139.11285	1.6
141.12849	1.0
149.02417	1.5
151.00372	5.1
152.91730	1.1
155.14424	3.0
167.14378	0.7
169.15973	0.4
171.04495	0.5
172.04575	0.4
175.03986	3.0
185.05986	0.6
198.03108	0.6
199.03992	3.0
201.01888	1.2
211.13321	0.4
211.20609	1.0
213.05505	0.4
215.03453	0.5
217.05049	1.5
221.19110	1.0
223.17004	0.6
239.20186	0.8
241.05069	1.1
241.18028	1.3
241.21649	0.4
243.02925	1.2
249.14941	1.2
257.04288	1.2
259.65140	0.5
265.18085	0.6
267.15976	1.6
267.19592	1.1
285.04022	59.7
285.17303	5.4
285.20660	100.0
286.04361	5.8
286.17950	0.5
286.21011	8.0
307.64450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2434
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01368	0.3
70.89794	0.6
92.32946	0.2
122.27690	0.3
133.02927	0.8
139.54085	0.2
217.66162	0.3
218.86263	0.2
237.22095	0.3
239.23804	4.6
240.24335	0.3
267.23203	1.1
283.22684	0.7
285.04074	3.3
285.24316	100.0
286.04309	0.4
286.24649	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	286.2385
Annotation	Prosopinine
Peak:m/z	Relative Intensity
58.68585	0.3
59.01360	1.6
61.98814	2.6
70.02984	0.8
71.17415	0.8
74.06097	1.5
107.01357	0.5
116.75665	0.4
117.07114	0.8
118.05073	1.1
121.02966	0.4
128.51556	0.4
133.02939	1.6
134.03281	1.5
138.25841	0.5
151.00360	0.9
240.23294	2.4
242.21227	1.4
245.90601	0.4
268.22849	1.2
286.04367	9.9
286.23843	100.0
287.04568	0.8
287.16510	0.9
287.22006	4.8
287.24277	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0558
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03451	0.3
59.60935	0.2
63.02394	2.6
65.00317	11.6
69.37129	1.2
69.37535	0.5
72.90392	0.2
83.01373	5.4
90.13150	0.2
91.05549	0.2
105.08884	0.2
107.01376	16.3
107.04985	0.5
108.01716	0.6
108.99312	0.3
109.02928	2.1
125.02429	4.0
133.02963	0.4
133.42850	0.2
134.03729	1.6
135.04507	100.0
136.04834	4.3
137.02414	0.4
151.00348	86.3
152.00688	3.7
159.04541	0.3
161.02408	1.1
165.01880	0.5
169.01439	0.5
177.01917	0.6
210.10229	0.2
223.41260	0.2
255.80106	0.2
263.12119	0.2
269.04581	0.5
287.05576	16.5
288.05957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0431
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.97277	0.3
52.50480	0.3
56.98019	1.3
57.03442	20.1
57.46332	0.3
59.01365	0.9
63.02383	1.6
65.00307	2.2
69.73283	0.6
69.73690	1.4
73.01157	1.9
74.03133	0.3
74.99075	1.5
83.01372	1.5
89.00660	3.7
93.03424	0.6
98.20600	0.4
98.99105	3.4
101.02428	0.6
102.98577	1.2
105.03466	0.7
107.01389	3.8
109.02911	0.6
117.00164	2.3
118.98077	7.5
121.02968	1.9
123.04508	1.1
132.02177	0.4
133.02945	19.7
134.03236	0.6
135.01205	0.4
139.02217	1.4
142.98079	12.8
149.02419	2.9
151.00351	5.8
155.05247	0.4
156.53380	0.4
160.99124	6.3
171.04485	1.0
175.03976	4.7
179.00180	41.0
180.00497	0.9
185.06041	0.5
197.06184	0.5
199.03967	3.2
201.01920	1.1
211.04013	0.5
212.04749	0.4
213.05453	0.6
215.03589	0.4
217.05040	1.9
225.02261	0.6
229.04926	0.5
241.05067	1.3
243.03030	0.8
257.04568	0.5
267.02997	0.7
285.04056	100.0
286.04401	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2068
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
54.40576	0.3
57.03440	0.9
59.01368	0.6
61.58057	0.4
66.31816	0.3
71.61822	0.5
76.39391	0.3
82.40170	0.4
117.10155	0.3
133.02927	1.0
214.44763	0.3
223.20639	57.3
224.20970	4.6
241.21712	1.3
267.19608	35.0
268.19913	3.0
285.04111	3.0
285.20667	100.0
286.21017	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0401
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02386	0.6
64.34118	0.2
65.00318	1.8
69.30907	1.4
69.54592	0.2
83.01380	0.8
93.03510	0.1
105.03454	0.5
107.00682	0.3
107.01375	3.2
121.02950	0.6
132.02159	0.5
133.02934	18.7
134.03293	0.8
143.05011	0.2
147.04552	0.2
149.02441	2.6
151.00345	6.9
152.00652	0.3
171.04460	0.4
173.02332	0.2
174.89311	0.1
175.03987	4.2
185.06100	0.3
189.05551	0.3
197.06036	0.5
198.03185	0.6
199.03970	2.7
201.01903	1.2
211.03952	0.3
213.05540	0.6
215.03471	0.6
217.05022	2.2
223.04024	0.3
226.02731	0.2
229.04996	0.2
236.95071	0.1
239.03172	0.2
240.04170	0.2
241.05029	1.0
243.03027	0.9
244.03235	0.2
257.04419	0.7
267.02768	0.4
285.03995	100.0
286.04333	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	285.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96227	0.5
59.01089	1.1
59.01374	16.0
59.03834	0.5
63.90882	0.5
69.55173	3.7
71.01380	3.7
89.02447	6.0
101.02402	1.4
113.02448	2.0
119.03532	1.9
119.05018	55.4
120.05364	1.5
120.99645	100.0
121.99986	1.0
125.23080	0.5
163.04004	6.8
176.93425	0.6
179.05656	1.1
185.09827	0.5
207.26761	0.6
217.72536	0.5
225.16098	1.4
255.05939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
63.02393	0.8
65.00317	2.6
69.48094	0.3
69.48490	0.8
71.30175	0.1
83.01362	1.7
93.03464	0.2
96.96010	0.3
98.19835	0.1
100.98737	0.1
105.03439	0.6
107.01377	4.5
108.01700	0.2
109.02933	0.2
119.05006	0.2
120.99664	0.3
121.02927	1.3
123.04507	0.3
132.02176	0.4
133.02937	24.4
134.03297	1.1
143.05019	0.3
147.04521	0.2
149.02423	3.3
150.02728	0.2
151.00345	8.4
152.00679	0.2
161.02443	0.1
161.06091	0.1
169.06564	0.2
171.04509	0.5
171.10420	0.1
173.02409	0.2
175.03973	4.8
176.04286	0.2
177.01961	0.1
185.06065	0.5
187.04018	0.2
189.05551	0.2
195.04549	0.2
196.05289	0.1
197.06036	0.5
198.03149	0.7
199.03984	4.1
200.04317	0.2
201.01898	1.5
211.04022	0.4
212.04698	0.2
213.05539	0.8
214.02663	0.3
215.03508	0.7
217.05035	2.2
218.05215	0.1
223.04005	0.5
223.07516	0.2
226.02730	0.2
229.05057	0.4
239.03412	0.2
240.04282	0.3
241.05034	1.4
242.02135	0.3
243.02969	1.1
246.85547	0.1
252.66820	0.1
257.04431	0.8
267.02875	0.6
284.26651	0.2
285.03998	100.0
286.04343	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	285.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78592	0.1
63.02391	2.9
64.39529	0.2
65.00314	2.4
67.99827	0.1
70.30408	0.1
73.52895	0.1
81.03457	0.2
83.01379	1.4
93.03453	0.2
95.87440	0.1
105.03439	0.8
107.01379	4.5
109.02938	1.1
115.05480	0.1
121.02950	1.5
123.04575	0.1
126.09224	0.1
132.02180	0.4
133.02943	21.0
134.03284	0.7
141.07132	0.2
143.05029	0.5
147.04509	0.4
149.02428	3.3
150.02753	0.2
151.00359	7.0
151.03972	0.4
152.00700	0.3
157.02950	0.1
157.06595	0.2
167.04988	0.2
169.06610	0.4
171.04547	0.8
173.02316	0.2
173.06123	0.3
174.03125	0.3
175.03990	4.8
176.04367	0.3
177.01910	0.5
183.04401	0.2
185.05988	0.8
187.03983	0.2
189.05551	0.5
195.04462	0.2
196.05223	0.2
197.06070	0.6
198.03151	0.6
199.03993	3.7
200.04347	0.2
201.01929	1.2
202.02376	0.2
211.03906	0.4
212.04648	0.2
213.05527	0.8
215.03473	0.7
217.05040	2.0
223.03976	0.5
226.02838	0.2
227.03381	0.1
229.05037	0.4
239.03465	0.3
240.04141	0.2
241.04968	1.2
242.02129	0.2
243.02966	1.1
257.04688	0.6
267.02872	0.5
284.22025	0.1
285.04001	100.0
286.04333	8.2
286.07654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2277
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
57.03451	1.0
59.01377	18.5
71.01384	0.7
88.92979	0.5
99.00867	0.6
101.02449	2.1
126.20269	0.5
128.21748	0.6
134.33643	0.6
142.50247	0.5
152.46526	0.6
161.04550	0.7
163.06157	2.6
201.02563	5.4
202.02869	0.9
223.08282	3.1
223.20625	1.3
239.23759	1.0
255.02966	2.7
268.03754	2.0
283.02676	1.2
283.06110	1.7
283.22769	100.0
283.26376	73.9
284.23108	8.5
284.26721	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	285.0393
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01374	1.1
63.02384	0.9
64.16064	0.1
65.00312	2.9
71.01382	0.1
72.99273	0.1
77.03986	0.2
77.80489	0.1
81.03444	0.2
83.01379	1.3
93.03446	0.3
95.04992	0.1
96.95998	0.8
105.03463	0.5
107.01378	4.5
115.05566	0.1
119.05066	0.2
120.99632	0.2
121.02953	1.3
123.04506	0.6
132.02129	0.4
133.02940	23.9
134.03247	0.9
143.04997	0.3
145.02838	0.1
147.04533	0.3
148.19916	0.1
149.02415	3.3
149.06023	0.1
151.00349	7.9
152.00677	0.4
157.06555	0.1
169.06589	0.4
171.04440	0.6
173.02380	0.2
173.05934	0.2
174.03117	0.2
175.03989	5.1
176.04332	0.2
185.06004	0.7
187.03944	0.3
189.05534	0.3
195.04283	0.2
197.06046	0.7
198.03081	0.7
199.03973	3.8
201.01930	1.5
211.03842	0.2
213.05519	0.6
215.03514	0.5
217.05025	2.5
218.05342	0.2
223.03946	0.4
224.04504	0.2
226.02667	0.2
229.04958	0.3
239.03619	0.4
240.04190	0.2
241.04996	1.5
242.02008	0.3
243.02946	1.2
243.06705	0.2
256.03674	0.2
257.04492	0.8
267.02945	0.3
280.48026	0.1
284.26682	0.5
285.04007	100.0
286.04352	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	285.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73981	0.3
59.01352	0.4
60.99171	0.7
63.02385	3.2
65.00323	2.6
81.95189	0.3
82.66413	0.3
83.01370	1.7
98.19868	1.4
102.98589	1.0
103.34647	0.3
104.98149	2.9
105.03475	0.9
107.01370	4.7
108.01704	0.4
109.02901	1.0
121.02930	1.5
133.02943	18.5
134.03285	0.7
147.04524	0.4
149.02422	3.0
151.00351	7.1
161.19888	0.4
169.06639	0.4
171.04460	0.6
173.05788	0.3
175.03983	4.2
185.06024	0.5
198.03185	0.9
199.03955	3.0
201.01901	1.1
211.04037	0.3
213.05458	0.8
215.03406	0.8
217.05023	1.2
223.03970	0.6
228.03671	0.5
241.05014	1.5
243.02878	0.7
256.03653	0.4
257.04306	1.1
285.03967	100.0
286.04306	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	283.1549
Annotation	Hysterone D
Peak:m/z	Relative Intensity
57.03443	5.7
58.00593	0.9
59.01374	52.8
61.98799	0.6
63.02375	1.2
69.61505	2.5
69.61919	0.9
71.01366	1.1
83.01389	0.7
85.02953	1.2
87.00864	3.9
89.02408	0.6
101.02460	1.4
101.06094	0.8
105.01918	0.6
107.01383	0.9
139.17093	0.5
151.00290	1.0
159.04474	0.7
161.04523	0.8
163.06084	1.9
182.03690	0.5
183.04460	1.1
201.02504	2.4
216.07825	0.6
221.19089	1.4
223.08247	2.0
223.13387	3.8
227.03464	0.7
241.14421	100.0
242.14755	5.9
245.11780	2.1
255.02950	27.5
256.03461	2.7
265.18195	1.1
268.03775	1.0
270.03391	0.5
283.02448	13.1
283.05807	0.8
283.15475	6.3
283.19144	2.8
283.26385	46.4
284.03204	3.5
284.15756	0.9
284.26688	2.3
292.87854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1699
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
56.31324	0.3
59.01370	6.8
62.57638	0.4
69.42020	3.2
72.44251	0.4
73.02936	0.4
88.50993	0.4
101.02449	0.6
102.64725	0.4
106.04231	0.4
107.05017	99.0
108.05335	2.5
115.55733	0.4
123.04506	0.4
135.74823	0.3
163.11270	100.0
164.11595	5.3
201.02513	1.3
223.08189	0.6
224.41469	0.4
255.02986	0.6
268.03702	0.5
283.17014	97.0
283.22748	21.1
283.26379	29.4
284.10056	0.4
284.17349	10.1
284.23145	2.4
284.26749	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	283.2275
Annotation	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Peak:m/z	Relative Intensity
55.22863	0.3
59.01374	5.5
61.98839	0.3
62.96267	0.3
71.01389	0.5
98.19904	0.8
100.37167	0.3
101.02467	0.6
106.85584	0.3
107.05018	13.6
108.05350	0.5
163.06128	0.8
163.11275	12.2
164.11575	0.6
201.02516	1.6
204.02174	0.3
223.08109	0.7
228.02510	0.3
237.22136	0.9
239.23703	1.4
255.02998	0.7
265.21637	1.6
268.03644	0.7
283.17520	12.6
283.22751	100.0
283.26315	26.3
284.17746	1.3
284.23087	8.9
284.26675	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0821
Annotation	Benzoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01371	6.2
69.50230	3.8
71.01369	0.8
72.99287	0.7
73.02940	1.5
75.00873	5.5
80.96521	0.6
81.03448	1.6
87.00872	3.6
89.02460	0.6
93.26601	0.4
96.96004	4.1
98.95566	2.0
99.04518	1.2
101.02456	1.0
102.98586	0.7
108.25642	0.5
121.02943	100.0
122.03289	3.0
138.02286	1.0
143.04597	0.6
147.04488	0.6
153.01947	0.7
161.04530	10.1
199.29158	0.5
223.08258	0.7
235.40428	0.5
241.10641	0.7
259.98520	0.6
283.08398	4.0
283.26382	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	283.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67568	0.7
55.01869	0.8
58.00581	0.8
59.01373	100.0
60.01708	1.2
63.75741	0.7
69.03480	0.6
69.33035	0.6
71.01379	16.8
71.60500	1.1
72.99280	1.2
73.02940	3.8
75.00856	3.4
83.01398	3.1
85.02944	6.1
87.00875	1.3
89.02441	13.9
94.15970	0.7
96.95974	1.5
99.00893	1.9
101.02430	18.2
101.03071	1.0
102.56577	0.7
102.98576	1.2
103.00377	3.9
105.01924	1.6
113.02428	6.3
119.03490	4.7
119.25205	0.8
121.05050	5.0
143.03540	1.9
159.02965	1.5
160.03764	0.7
161.04535	10.6
179.05658	3.3
210.10468	0.7
223.08180	24.6
224.08638	1.7
236.94330	0.7
246.10999	0.8
283.10464	12.5
283.26382	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0821
Annotation	Benzoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01836	0.3
58.99598	0.8
59.01377	3.8
67.34534	0.2
69.56705	1.6
71.01376	3.8
71.05022	1.2
72.28181	0.2
72.99306	3.7
73.02943	3.2
75.00874	7.4
77.03955	0.3
79.11956	0.3
80.96516	0.8
81.03455	2.2
85.02954	0.4
87.00861	0.6
87.04512	0.9
89.02435	0.7
90.20216	0.3
93.03477	0.3
96.95975	0.3
98.19884	0.6
99.00874	1.7
99.04515	4.4
102.98586	3.8
102.99246	0.3
113.02451	0.3
121.02950	100.0
122.03277	3.2
141.82141	0.3
143.03482	2.5
147.04477	0.7
157.02927	0.7
158.03738	0.4
159.04486	0.6
161.04552	12.2
162.04866	0.5
185.02480	0.3
203.03462	1.0
239.12883	0.6
255.02812	0.5
264.98071	1.2
282.99380	0.3
283.05035	0.8
283.08148	6.4
283.11090	0.6
283.26395	3.4
284.03189	1.3
284.08423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.082
Annotation	Helicid
Peak:m/z	Relative Intensity
53.26396	0.3
59.01370	2.8
63.96212	0.4
64.01023	0.2
69.65564	1.0
69.65985	0.7
71.01374	1.3
71.05045	0.3
73.02911	1.3
75.00865	0.9
77.03982	0.3
81.03439	1.4
85.02940	0.3
87.00882	0.8
93.03441	1.6
96.96007	2.8
98.20524	0.5
99.00883	0.7
99.04509	1.3
101.02393	0.4
102.98607	0.3
117.97298	1.5
121.02946	100.0
122.03285	3.7
123.02739	0.6
135.02731	0.4
135.41154	0.2
137.02444	1.6
143.03497	0.8
153.03812	0.8
161.04530	2.9
203.12962	0.3
214.79776	0.2
223.08151	0.5
242.29964	0.2
268.07330	0.3
283.08337	2.7
283.12195	1.4
283.26367	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	283.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72307	0.3
54.34954	0.3
55.01868	0.8
57.03447	0.6
58.00609	0.6
58.99601	23.5
59.01376	10.9
59.99928	0.3
60.04018	0.3
63.02393	3.6
63.96283	0.4
65.00311	1.7
69.93089	0.5
69.93487	1.2
71.01376	11.9
72.99315	0.6
73.02940	2.6
74.99084	0.5
75.00877	1.1
80.96516	0.3
83.01384	4.3
85.02941	4.7
87.00871	11.0
89.02444	5.0
90.92307	0.4
95.01376	1.0
99.00887	1.3
99.04502	0.6
101.02447	5.9
102.98592	100.0
103.98928	1.2
104.33334	0.3
107.01392	3.6
113.02438	3.9
119.03492	2.1
121.02948	10.7
132.02156	0.5
133.02917	1.6
134.03719	1.6
143.03560	0.6
148.01674	0.6
149.99567	0.6
151.00377	3.1
157.02997	0.5
159.02997	0.7
159.04437	0.5
161.04562	6.4
162.04745	0.3
179.05661	0.5
183.04535	1.7
187.03969	0.6
188.04781	0.6
199.04016	0.8
200.04753	0.8
204.06593	0.3
205.07082	0.6
211.03995	1.7
227.03494	3.6
239.03400	0.5
249.06163	6.1
255.02916	3.4
256.03763	6.5
283.02460	1.9
283.04962	22.3
283.08035	0.9
283.26389	4.2
284.03223	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2121
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
57.03435	2.2
59.01088	1.4
59.01376	22.9
63.27195	0.8
63.32431	0.8
71.01360	1.1
71.62298	1.0
82.79553	0.9
96.96033	0.9
98.03891	0.8
101.02441	1.7
125.09707	1.2
132.96596	0.8
137.09769	1.0
161.04561	1.3
171.10274	34.3
172.10536	1.4
212.77260	0.8
221.06699	1.1
237.22289	0.9
239.59822	0.9
263.20132	43.7
264.20517	4.4
281.21173	100.0
281.24716	22.0
282.21506	8.8
282.24786	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	283.0244
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
59.01371	10.7
61.98852	0.3
63.02388	3.2
65.00314	1.3
71.01369	1.0
73.02921	0.4
74.01728	0.3
83.01380	1.2
85.02950	0.4
89.02436	0.5
93.03445	5.9
98.20659	0.4
101.02431	0.9
107.01387	3.1
109.02946	0.4
112.13431	0.3
117.03442	1.0
124.48993	0.3
127.05561	0.6
133.02934	0.6
135.00839	0.4
139.05573	0.3
141.03419	0.3
143.04999	0.8
145.02940	0.6
147.00816	0.7
151.00333	2.9
155.05003	1.2
157.02866	0.3
159.04529	1.4
161.04578	0.7
163.00285	0.4
163.06075	0.9
167.04897	0.4
169.02853	0.5
171.04520	0.8
177.01912	12.7
177.03493	0.7
178.02184	0.6
182.03682	1.1
183.04472	3.8
185.02451	1.5
187.03986	0.8
189.01900	4.7
190.02225	0.3
199.03851	0.8
200.94608	0.4
201.02533	1.9
202.00905	0.3
203.01183	0.6
204.55150	0.3
211.03841	0.7
222.58502	0.3
223.08186	1.9
227.03426	2.2
255.02953	100.0
256.03409	8.4
268.03613	0.8
282.25195	0.7
283.02432	42.1
283.06021	11.9
283.19473	1.7
283.26385	31.6
284.03122	8.9
284.06250	0.6
284.26755	0.4
285.02597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01371	100.0
60.01709	1.0
61.98818	2.2
63.05332	0.4
69.24304	0.4
69.84454	0.4
71.01381	4.3
71.60913	0.6
72.99297	0.7
73.02930	1.0
74.99092	0.9
75.00897	0.7
79.95729	0.6
80.96507	0.7
83.01396	0.7
85.02950	1.9
87.00887	0.6
89.02452	1.7
93.03455	0.8
96.96001	8.4
99.00881	1.1
101.02428	3.5
113.02428	2.5
117.05631	0.5
119.03497	0.5
119.05007	0.7
120.99620	0.5
121.02928	0.6
123.00915	0.5
126.02908	0.4
129.02036	0.5
131.03513	0.5
135.04613	0.5
136.99174	0.9
161.04536	2.7
163.69949	0.5
201.11316	0.7
221.06763	1.8
221.10222	3.0
235.02997	0.5
239.12926	0.5
281.03775	0.8
281.06793	7.0
281.12057	0.6
281.24792	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	281.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58014	1.5
57.03418	1.4
59.01379	24.6
69.90800	4.8
71.01379	19.6
73.02949	6.5
75.00859	2.0
84.30162	1.2
85.02921	1.8
87.00866	13.2
89.02444	15.4
93.03455	21.9
96.95963	3.6
99.00885	2.4
102.30910	1.3
106.04186	2.0
107.05016	21.8
115.00364	19.0
117.01920	15.3
119.05017	86.1
119.45599	1.4
120.05381	3.1
121.06566	2.8
131.05022	1.7
133.02014	2.4
133.02950	32.3
134.03728	3.9
135.04533	9.3
147.02968	1.4
147.04500	4.2
149.06068	14.1
157.08641	2.0
163.03999	100.0
164.04353	4.4
165.05522	5.1
175.02460	16.3
175.76678	1.2
177.05627	8.5
178.02631	2.4
181.05057	15.1
193.05081	7.5
199.66934	1.3
219.06807	1.5
221.04536	28.2
222.04945	2.0
233.04437	2.3
281.06824	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	281.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03395	1.6
59.01377	24.6
66.53409	1.4
69.57581	1.1
69.88279	1.3
70.62706	3.2
71.01380	15.6
72.99291	5.8
73.02930	2.1
74.69050	1.3
75.00858	3.0
77.10557	1.2
85.02927	1.4
87.00856	8.9
89.02447	14.6
93.03451	17.3
96.96001	20.7
99.00871	3.1
101.02441	1.5
103.69219	1.4
106.04227	1.4
107.05022	17.1
111.61687	1.4
115.00364	16.6
117.01927	19.0
117.03405	1.3
119.05019	79.0
120.05370	1.7
121.06583	3.4
131.04980	2.0
133.02008	2.5
133.02953	34.2
134.03284	1.7
135.04495	8.8
147.02995	2.1
147.04492	7.2
149.05042	1.5
149.06071	10.0
156.34602	1.5
161.02496	1.8
163.03989	100.0
164.04320	4.7
165.05550	6.8
175.02452	13.8
177.05519	7.4
181.05061	14.0
183.10208	5.3
191.54001	1.6
201.11304	26.5
221.04514	34.7
222.04768	2.1
233.04430	2.2
255.75964	1.5
261.43402	1.5
263.05817	2.3
281.06989	25.8
281.24838	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	281.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
57.87447	0.7
59.01374	38.0
69.03459	0.8
69.83056	2.5
69.83468	1.2
71.01376	4.0
71.05006	0.9
74.99084	2.8
79.95724	4.2
83.01405	0.7
87.00853	2.3
89.02441	2.9
93.03427	3.5
95.95241	0.9
96.96002	100.0
105.01945	0.8
107.05022	3.9
115.00358	2.7
117.01929	2.9
119.05029	15.0
121.02872	1.1
121.06575	0.9
123.08121	1.4
133.02936	6.6
134.03716	2.6
135.04518	1.5
137.02422	1.2
141.09198	2.7
147.04546	1.2
148.05278	1.0
149.06058	2.7
156.19736	0.8
161.05879	0.7
163.04004	17.0
164.04443	0.9
165.05530	1.7
175.02386	3.2
177.05519	1.1
178.02679	0.7
181.04996	2.1
183.10320	0.8
184.05493	0.6
193.05118	4.5
201.11302	21.6
202.11627	1.6
204.33051	0.8
207.06836	1.1
214.90494	0.7
219.06932	30.8
219.29068	0.7
220.07281	2.0
221.04796	20.0
222.05106	1.0
237.07755	2.2
255.90320	0.8
281.06973	94.1
281.13336	3.7
281.24899	2.6
282.07352	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	277.2168
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.19750	0.2
58.77429	0.2
59.01130	0.2
59.01374	2.7
71.01374	0.7
83.05019	0.4
90.57625	0.2
98.19859	0.8
121.02974	0.3
127.07616	0.3
153.10158	0.2
161.42996	0.2
205.15872	0.3
233.19064	0.3
233.22693	0.4
249.02911	0.2
259.20581	0.6
260.77048	0.2
275.20059	0.5
277.21677	100.0
278.22031	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2168
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.16924	0.3
56.89682	0.3
59.01365	0.6
59.06512	0.3
71.24837	0.8
76.53349	0.3
93.98775	0.4
127.78800	0.4
150.65160	0.3
164.29369	0.3
170.78024	0.4
174.07544	0.3
259.20563	0.4
277.21680	100.0
278.22049	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	279.1962
Annotation	Chabrolol C
Peak:m/z	Relative Intensity
57.03453	0.9
59.01367	7.0
61.39111	0.8
61.98823	1.3
69.33833	2.2
69.34248	6.0
71.01358	1.0
83.04981	1.6
96.95989	2.2
107.08658	32.0
125.09695	2.1
127.11302	1.1
140.73355	0.8
163.14885	1.8
168.54797	0.7
171.10251	78.0
172.10620	3.1
185.11790	4.1
197.90189	1.3
200.84589	0.9
217.19513	7.0
219.02902	1.2
243.17657	1.2
261.18552	100.0
262.18893	8.8
267.59744	0.8
276.81396	0.9
279.19617	60.4
279.23199	37.7
279.26282	2.0
280.19952	4.4
280.23544	2.9
285.30890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2325
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.05912	0.3
57.66378	0.3
59.01350	0.4
71.24725	0.6
80.08967	0.3
116.42664	0.3
118.14479	0.3
147.71132	0.3
156.48289	0.3
228.16235	0.3
261.22098	0.3
279.23245	100.0
280.23596	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	281.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03447	1.3
58.99599	1.8
59.01375	11.0
60.99305	12.7
61.01023	3.9
68.99794	2.3
71.01379	9.8
71.60760	0.9
72.99289	1.6
73.02934	1.4
75.00860	2.4
79.95735	0.8
83.01373	2.8
85.02953	6.0
86.29739	0.7
87.00869	3.8
88.98797	100.0
89.02425	3.7
93.03476	0.9
96.95999	3.0
96.99306	1.6
98.00084	1.1
99.00866	3.3
99.02669	0.7
101.02428	3.9
103.00378	1.5
105.01900	0.8
111.00864	3.4
112.98805	3.1
113.02431	6.2
114.22382	0.7
115.02104	0.7
119.03516	1.8
120.99648	1.1
124.98782	1.8
127.02039	0.7
129.01923	1.3
131.03510	0.9
132.99495	3.0
137.52992	0.7
140.05678	0.6
142.99840	3.8
143.01524	1.2
157.01367	3.9
159.03096	1.0
161.04587	0.9
173.00905	3.4
187.00520	3.8
187.02477	4.1
217.01587	2.9
219.06750	0.9
281.09018	11.3
281.24854	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99606	5.1
59.01366	6.9
70.49556	0.9
71.01378	17.4
71.01755	1.3
72.97531	3.4
73.02942	6.6
74.99088	53.2
75.71457	0.9
83.01378	2.4
85.02940	8.5
87.00874	21.9
89.97785	1.2
90.98584	62.5
95.01402	1.3
96.96005	1.4
98.01956	4.8
99.00890	2.7
101.02436	10.7
101.59276	1.0
104.39274	1.0
106.30786	0.9
113.02440	6.4
115.07654	3.3
116.60173	1.0
117.00148	2.1
127.05865	100.0
128.06194	3.0
133.75613	0.9
135.01228	4.8
145.06918	76.2
146.07275	1.6
159.02986	1.7
160.94112	1.0
160.99135	1.6
161.04486	6.2
171.04848	2.3
179.00182	24.3
179.22157	0.9
182.74089	0.9
187.09804	1.0
189.05905	18.5
190.06261	1.3
215.07423	33.8
216.07808	1.1
231.45183	0.9
233.08469	14.3
277.07458	22.2
277.21613	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.5
57.03444	6.8
58.00586	1.7
59.01374	55.9
69.03455	1.6
70.89038	1.4
70.89374	0.8
71.01378	100.0
72.01724	1.4
72.99300	3.4
73.02941	39.4
74.03300	0.9
75.00854	2.1
83.01379	17.2
85.02946	50.9
86.00095	1.1
87.00886	4.3
89.02438	7.6
90.24123	0.7
95.01390	7.5
96.96014	1.5
97.02946	3.6
99.00872	14.5
101.02437	87.9
102.02763	2.1
102.62424	0.8
109.39724	0.7
110.06104	0.7
111.00843	0.9
113.02441	39.4
113.06078	1.2
115.07627	7.1
117.63309	0.8
125.02428	1.6
129.01953	2.1
129.40155	0.7
132.03046	1.0
143.03517	4.3
159.02994	13.3
161.04555	67.7
162.04919	1.5
162.30859	0.7
197.08067	0.9
205.03439	1.1
212.43456	0.7
272.54218	0.7
277.12888	81.1
277.21542	4.5
278.13278	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	277.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.2
57.03445	6.9
58.00581	2.5
59.01374	57.7
60.19379	0.6
69.03457	1.3
70.47540	2.1
71.01375	90.1
72.99306	3.5
73.02939	37.8
75.00889	1.6
75.52328	0.6
83.01379	17.9
85.02943	47.3
86.03290	0.9
86.34335	0.6
87.00853	4.0
89.02434	7.1
95.01368	5.5
96.95991	0.9
97.02942	2.6
99.00878	15.1
101.02431	100.0
102.02736	1.6
110.63699	0.6
111.00889	0.6
111.55083	0.6
113.02438	37.5
113.06059	0.8
114.02781	1.3
115.07643	4.4
118.72093	0.7
119.03480	0.7
125.02410	1.8
129.01912	1.9
131.03539	0.8
143.03464	5.2
159.02960	11.1
161.04538	69.1
162.04907	1.3
277.12881	52.6
277.21497	3.7
278.13220	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	275.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05632	0.7
59.01377	5.8
69.16258	0.6
69.24396	3.0
69.24830	2.9
71.01376	1.0
95.59777	0.6
98.19820	1.2
128.77133	0.7
142.84714	0.6
177.16449	1.6
192.95844	2.7
203.18044	0.9
210.08434	0.7
214.89519	0.7
229.31940	0.6
231.21118	7.4
232.21591	0.7
257.19205	0.6
275.20117	100.0
276.20462	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	276.9179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58907	0.3
59.01363	0.4
69.54105	2.1
71.01376	0.8
75.39761	0.3
78.17928	0.3
78.95896	10.2
78.96364	0.5
79.95715	0.7
87.57744	0.3
92.05051	24.1
92.95967	0.6
94.02986	0.5
96.96002	10.4
96.96940	3.4
98.19866	0.6
100.04034	1.6
119.93665	0.3
134.96138	0.8
134.97041	18.3
135.97160	1.0
136.04025	5.1
136.93994	100.0
137.94063	5.3
140.07147	1.8
151.92928	0.3
153.67812	0.3
158.92516	0.6
159.01387	0.4
176.98085	5.4
178.94991	2.5
179.01089	1.0
194.92722	0.3
216.89648	92.9
217.89723	6.1
217.96103	0.3
233.12917	9.2
233.51799	0.3
234.90704	25.8
235.90807	1.5
251.13977	2.3
276.88477	1.3
276.91708	2.3
276.98434	16.8
277.11920	1.5
277.21695	2.3
277.98422	0.9
294.85104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2275
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
52.33647	0.2
55.01874	0.5
59.01369	0.6
68.99573	0.4
69.95589	0.5
69.96000	0.8
72.99311	0.3
74.14816	0.2
80.30391	0.2
84.02145	0.3
89.02420	0.5
108.02199	0.4
109.02927	0.4
112.98566	0.5
125.02412	0.3
176.98793	0.7
190.76352	0.2
197.19084	0.8
221.19093	0.9
223.20601	3.9
224.21060	0.4
225.22203	59.8
226.22546	4.2
241.05212	0.3
253.21751	1.6
262.68488	0.3
269.21246	0.4
271.22739	100.0
272.23074	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	271.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.9
61.98835	0.2
68.99560	0.7
71.01395	0.3
71.19147	0.5
71.74174	0.3
106.45457	0.2
108.02188	0.5
109.02933	0.7
112.98524	0.7
125.02364	0.3
134.97755	0.5
176.98714	1.4
178.38197	0.3
211.20694	1.3
225.22215	1.1
235.87553	0.2
253.21617	1.2
269.21191	0.9
271.22751	100.0
272.23090	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	273.0765
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.96975	0.8
57.03423	1.2
59.01371	2.6
65.00317	1.9
69.30393	2.9
69.30817	6.1
72.99313	1.1
77.05058	0.9
81.03449	22.2
82.13427	0.8
83.01382	6.3
93.03445	5.3
95.05006	0.9
99.00851	1.3
99.04543	1.0
107.01378	2.0
108.05569	0.9
118.04234	1.0
119.05009	23.5
120.05315	1.2
123.04514	32.2
125.02435	11.5
148.01607	1.6
149.02370	1.1
151.00346	5.2
151.82825	0.8
161.02434	3.8
167.03474	74.1
168.03867	3.1
172.71570	0.8
173.02486	1.2
173.11911	1.5
174.03162	1.8
176.01184	5.0
179.03462	3.4
187.07619	1.5
189.01915	2.6
189.05562	3.1
190.02696	5.9
191.46280	0.8
193.08781	0.9
201.01939	13.3
202.02646	3.5
215.03506	10.4
216.00639	2.6
216.04243	7.1
217.04785	0.9
229.05090	1.2
229.08521	1.2
245.08154	38.9
246.08542	3.4
273.07666	100.0
274.07953	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	273.1341
Annotation	oscr#7
Peak:m/z	Relative Intensity
56.93898	0.5
57.03435	1.4
59.01368	1.9
64.92733	0.5
69.03437	0.5
69.46512	3.8
71.01371	2.9
71.05001	0.7
73.02923	0.8
79.95728	1.0
81.03453	0.5
83.01378	1.4
83.05001	1.0
85.02936	1.6
85.06576	0.6
89.51088	0.4
97.06599	0.8
101.02428	1.5
108.02083	0.6
112.01661	0.7
113.02429	0.6
123.08140	0.5
125.09673	3.9
127.11260	1.5
135.85007	0.5
136.05348	0.5
140.22040	0.4
141.09166	0.7
151.11230	0.5
155.10747	0.8
165.12840	0.9
167.14395	1.3
171.10249	11.9
175.11284	0.9
183.13896	1.0
193.12285	4.1
199.13316	1.3
201.11302	4.8
209.11777	2.8
211.13368	23.0
212.13736	1.0
213.11279	2.1
219.10182	4.4
227.12820	3.0
229.05089	0.9
229.14395	11.9
229.16672	0.6
237.11298	10.4
238.11636	0.6
255.12338	31.1
256.12711	2.2
261.14813	0.4
273.13397	100.0
274.10907	0.4
274.13727	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	275.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
57.03445	3.0
58.00582	3.8
59.01373	100.0
69.03440	2.1
71.01376	82.3
72.99300	6.3
73.02932	11.1
79.95759	1.7
79.99038	1.0
83.01370	7.6
83.05042	1.9
84.74169	1.1
85.02946	32.7
87.00855	6.5
89.02438	76.5
89.79237	1.1
95.01369	5.5
95.05043	2.4
96.96021	1.7
99.00865	5.7
99.77206	1.1
101.02438	58.4
111.00879	1.1
111.04494	2.2
112.01640	3.2
113.02440	41.9
113.06101	1.8
114.02796	1.6
119.03492	30.1
125.02418	3.0
125.06100	1.1
127.00379	3.0
131.03452	2.8
143.03490	6.0
149.04547	1.9
159.02975	1.7
161.04570	13.0
162.40047	1.2
171.10196	1.1
176.35182	1.1
179.05602	6.8
185.35725	1.1
193.51433	1.2
215.09193	4.9
233.10155	2.5
275.02368	1.4
275.07678	3.7
275.11292	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	271.1911
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
56.98553	0.3
57.03424	0.5
59.01367	0.3
64.65816	0.3
68.99541	0.3
69.03422	0.3
70.99696	0.6
71.27650	0.3
76.91573	0.2
80.02609	0.3
80.10715	0.2
81.48590	0.3
91.40430	0.3
108.02165	0.5
109.02941	0.4
112.98604	0.3
125.02530	0.3
149.51732	0.3
152.91789	0.3
167.83002	0.3
176.98843	0.4
207.17548	0.5
209.19069	56.1
210.19389	3.6
227.20090	1.5
253.18048	42.9
254.18375	2.9
271.19110	100.0
271.22345	3.8
272.19470	6.5
272.22556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2275
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01365	0.3
70.99460	0.3
108.02183	0.2
109.02952	0.3
119.59339	0.1
125.02425	0.2
127.91232	0.1
166.34109	0.1
223.20639	0.3
225.22227	4.3
226.22475	0.3
237.14824	0.1
246.42949	0.1
253.21713	1.4
256.07196	0.1
269.21140	0.8
271.22748	100.0
272.23096	7.6
283.43411	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	271.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99625	0.2
59.01382	0.2
69.03452	0.2
71.01380	0.2
71.16422	0.3
108.02152	1.7
109.02943	100.0
110.03275	2.6
112.98746	0.2
140.48923	0.2
142.38496	0.2
174.01671	1.8
226.20891	0.2
271.08224	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06486	0.5
71.62859	0.8
96.95993	0.7
108.02168	1.2
109.02937	1.0
116.50889	0.5
120.99642	100.0
121.99975	1.3
125.02367	1.0
151.00371	0.5
183.08432	0.8
225.19669	0.6
271.02509	0.8
271.05908	1.7
271.19275	0.6
271.22800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0821
Annotation	Arbutin
Peak:m/z	Relative Intensity
55.01876	0.3
57.83597	0.2
59.01370	1.4
69.03459	0.4
69.64906	1.1
71.01377	7.9
72.99311	0.2
73.02939	2.4
81.03490	0.2
83.01385	0.8
85.02941	4.7
87.00861	0.4
90.70915	0.2
90.97119	0.3
93.03452	0.3
95.01376	1.7
96.95997	0.6
96.96956	0.3
97.02926	0.4
99.00877	1.1
101.02434	4.7
107.05022	0.5
108.02164	100.0
109.02996	10.5
110.03284	0.4
113.02440	4.2
118.96638	0.2
120.18365	0.2
121.02943	1.0
122.03774	0.2
123.00862	0.8
123.04511	1.1
125.02412	0.2
130.08730	0.6
132.98195	0.2
133.02959	1.1
135.04517	0.5
143.03487	0.2
151.03989	4.4
159.02948	1.3
161.04533	6.5
163.03996	1.8
174.99222	2.0
175.02518	0.2
176.98769	0.3
181.05116	0.2
191.09402	0.2
248.78230	0.2
271.05310	0.3
271.08261	1.2
271.22742	0.5
272.09778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0821
Annotation	alpha-Arbutin
Peak:m/z	Relative Intensity
57.36813	0.2
60.19883	0.2
64.97456	0.2
70.03912	0.7
70.04324	0.4
72.15083	0.2
89.51749	0.2
108.02173	1.3
109.02943	100.0
110.03288	2.7
174.01695	0.7
271.08319	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	271.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11922	0.8
59.01370	3.4
70.62751	2.0
70.63126	1.6
71.01375	2.3
72.99305	1.2
83.01384	2.7
85.02951	0.9
97.12656	0.8
98.95573	0.9
99.00881	3.2
108.02145	2.1
109.02920	1.6
109.06575	1.5
109.12875	0.8
111.00860	1.2
112.98804	6.0
128.03523	1.2
142.99844	4.5
143.04649	2.0
149.06049	1.1
153.05560	3.2
161.55447	0.8
165.05524	1.0
167.07115	1.4
173.00896	2.8
174.01671	100.0
175.02094	3.0
176.01147	3.2
191.03441	3.2
249.13980	0.9
270.99332	0.9
271.02542	2.0
271.07922	1.5
271.22729	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.212
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01365	0.4
69.46235	2.6
70.65090	0.3
71.61282	0.3
75.74081	0.4
81.67233	0.4
92.02562	0.4
97.05650	0.3
98.19875	0.8
203.13745	0.3
223.20564	0.5
225.22263	1.3
251.20209	1.9
269.21198	100.0
270.21573	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0609
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
59.01371	2.7
63.02390	9.0
65.00319	15.2
71.01382	1.7
71.63060	0.5
72.99303	1.8
73.02950	0.7
79.05524	0.7
80.20727	0.4
81.03449	1.1
83.01374	12.3
87.00897	0.7
92.20139	0.5
93.03447	11.6
96.96017	0.6
97.06579	1.2
99.00856	1.1
107.01378	26.0
107.05048	1.0
108.02213	0.8
109.02961	2.2
109.06580	1.4
111.08150	0.6
112.98788	1.9
115.00352	0.6
117.01967	0.8
117.03467	0.7
119.05012	70.4
120.05344	1.9
121.02936	0.9
121.06584	1.4
123.04488	0.7
125.02421	2.6
125.06062	1.5
133.02896	0.8
135.02989	0.7
137.05984	1.1
139.07645	1.0
142.99850	2.5
143.05035	1.2
145.02942	2.4
149.02406	0.5
149.05981	0.5
151.00349	64.5
152.00719	1.6
153.05566	2.7
161.06018	1.2
165.01923	3.6
165.05563	4.3
167.07117	0.9
169.01410	2.1
173.00839	0.5
174.01666	24.1
175.02141	0.7
177.01900	9.5
185.06033	1.7
187.03954	3.0
193.05028	2.2
197.05992	0.6
201.09476	0.9
211.05937	0.5
213.05544	0.6
227.07104	1.9
229.05035	1.0
241.05032	1.4
249.76379	0.5
256.07343	1.2
271.06070	100.0
271.22702	1.3
272.06436	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	269.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22131	0.6
55.01868	9.5
57.03441	7.6
58.00581	2.3
59.01374	51.9
68.99818	1.4
71.01376	100.0
71.62339	1.4
72.01717	1.4
72.99313	5.8
73.02940	38.2
74.91679	0.8
75.00877	2.0
81.03448	0.7
83.01380	23.5
83.31663	0.7
84.02182	0.8
85.02944	51.3
86.00081	0.9
86.03313	0.9
87.00880	4.9
89.02429	5.5
89.36327	0.6
95.01378	8.0
96.96016	3.4
97.02952	3.0
99.00859	16.4
101.02435	85.4
102.02760	1.5
107.05023	1.5
109.02966	1.3
111.00857	1.0
113.02439	42.7
114.02784	0.8
116.01183	0.8
121.02953	2.2
125.02460	2.6
129.01942	1.6
135.04556	1.8
137.06081	4.4
143.03474	3.2
159.02960	9.1
161.04541	33.9
162.04872	0.9
181.05042	14.0
205.03596	1.4
269.06802	1.5
269.10370	12.5
269.21182	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	269.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71441	0.3
58.99598	13.4
59.01373	3.5
68.74667	0.3
69.45278	2.0
69.45689	0.8
74.99079	3.1
79.50502	0.3
84.89469	0.4
87.00867	3.3
90.37564	0.4
102.98586	100.0
103.98938	1.4
113.77930	0.3
120.99640	5.6
139.02229	6.9
163.00687	8.5
227.03831	1.7
269.04761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90458	0.4
57.03431	0.5
59.01377	2.6
68.62919	0.4
69.48670	2.4
71.01374	4.9
72.99320	0.5
73.02941	1.0
74.99079	0.7
77.03963	0.4
77.64430	0.4
83.01408	0.6
85.02941	2.5
87.00854	0.5
89.02435	0.6
93.03484	0.5
96.95992	0.9
99.00875	3.0
101.02444	4.1
102.79380	0.4
113.02439	1.5
121.02949	100.0
122.03292	2.6
147.02998	5.9
161.04558	1.5
183.01329	0.5
227.09245	0.6
229.07915	0.4
269.06674	1.5
269.10257	1.5
269.21249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
63.96216	0.3
69.81055	2.0
71.01375	1.4
73.02949	3.0
85.02939	0.7
87.00883	0.6
94.25206	0.3
96.96009	4.1
98.20498	0.7
101.02440	1.3
103.04008	0.8
117.97311	1.0
120.56612	0.4
121.02947	100.0
122.03273	2.7
129.32648	0.4
137.02483	0.4
146.58264	0.4
147.02953	0.5
189.11305	1.1
193.01413	0.6
207.06834	0.9
209.04836	0.7
227.03554	0.4
238.78397	0.4
269.04446	1.5
269.06955	6.0
269.13870	0.5
269.21204	1.1
269.24646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0452
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.54650	0.1
61.38497	0.1
62.69824	0.1
63.02070	0.3
63.02393	4.9
65.00317	2.4
67.02467	0.1
69.66000	0.9
70.56139	0.2
83.01373	0.7
89.00330	0.2
92.73335	0.2
93.03453	0.6
97.84303	0.1
98.19867	0.3
102.98544	0.2
105.03465	0.3
107.01380	4.3
107.02107	0.2
108.18240	0.2
117.03453	12.6
118.03799	0.5
121.02940	0.8
131.05083	0.2
135.04491	0.6
141.68535	0.2
148.53835	0.2
149.02429	3.5
151.00359	3.6
155.05034	0.3
157.06575	0.4
159.04512	3.2
160.18552	0.2
161.02429	1.5
162.20688	0.2
169.06575	0.9
171.04430	0.3
171.20467	0.2
173.06088	0.2
180.05772	0.4
181.06575	0.8
182.03699	0.3
183.04497	1.5
196.05234	0.5
197.06018	1.1
199.04018	0.3
201.05547	1.2
213.05461	0.2
224.04721	0.5
225.05534	2.4
226.05997	0.2
227.03410	1.2
241.05031	0.2
269.04507	100.0
270.04852	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	269.0452
Annotation	Apigenin
Peak:m/z	Relative Intensity
54.90459	0.1
63.02393	1.0
65.00315	3.3
70.37581	0.4
81.03391	0.2
83.01389	1.6
93.03445	0.4
98.20478	0.2
105.03444	1.0
107.01382	6.7
108.01719	0.1
117.03455	24.4
118.03793	0.8
121.02939	1.5
141.03471	0.2
149.02438	9.3
150.02786	0.4
151.00362	10.7
152.00662	0.2
157.06535	0.3
159.04512	2.3
169.06552	0.5
172.13412	0.1
180.05779	0.6
181.06601	1.7
183.04501	1.4
185.02455	0.4
186.61588	0.1
195.04515	0.2
196.05231	0.4
197.06082	0.7
199.04056	0.2
201.05623	1.8
205.47215	0.1
224.04752	0.4
225.03384	0.3
225.05548	4.3
226.02672	0.2
226.05875	0.2
227.03510	1.9
269.04517	100.0
270.04865	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	267.1961
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01847	2.2
59.01354	2.6
61.98799	0.7
63.08568	0.6
65.00334	0.6
66.48460	0.6
68.66197	0.5
69.03445	7.0
69.30434	5.0
71.05010	13.5
73.02879	0.5
78.68621	0.7
80.02679	1.5
81.03436	1.5
83.05032	1.5
89.02349	0.6
96.96015	0.9
97.06580	1.0
98.95575	1.3
107.01370	0.7
110.08193	0.5
112.21429	0.6
121.02993	0.6
123.00885	1.0
137.89452	0.6
193.15903	1.2
195.17517	1.1
198.78122	0.6
221.19107	3.6
223.20634	100.0
224.20978	5.4
253.82941	0.6
267.19617	79.3
268.19885	4.9
275.11130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0439
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.01300	0.1
50.27551	0.1
58.17644	0.1
59.01367	0.1
61.67912	0.1
63.02390	5.3
64.02724	0.1
65.00318	2.6
67.45507	0.1
70.31087	0.1
71.01376	0.1
71.51115	0.1
79.01920	0.1
83.01375	0.7
89.00338	0.2
93.03452	0.8
95.01405	0.1
98.20629	0.2
102.98576	0.6
105.03447	0.5
107.01376	4.2
107.61380	0.1
108.01692	0.2
109.64193	0.1
117.03453	11.9
118.03803	0.3
120.99641	1.0
121.02976	0.6
123.00855	0.3
125.02454	0.1
127.51979	0.1
130.04301	0.1
131.05070	0.2
133.02954	0.1
135.04506	0.8
141.03456	0.2
143.05054	0.1
147.00874	0.1
148.01595	0.1
149.02423	2.6
150.02780	0.1
151.00354	3.4
152.00671	0.1
155.04984	0.5
157.06541	0.5
158.03728	0.2
159.04500	3.7
160.04892	0.1
161.02432	1.7
167.04961	0.1
168.05878	0.1
169.06580	1.0
171.04520	0.2
173.06021	0.2
180.05803	0.4
181.06595	1.1
182.03746	0.3
182.06834	0.1
183.04480	1.4
185.02405	0.1
193.05400	0.1
195.04453	0.2
196.05232	0.7
197.06023	1.3
199.03999	0.4
201.05557	1.3
203.03502	0.2
210.03140	0.2
213.05539	0.3
223.03989	0.1
224.04660	0.6
225.05534	2.5
225.09064	0.1
226.05911	0.1
227.03464	1.1
229.36208	0.1
241.05025	0.2
251.03371	0.1
267.38043	0.1
268.03687	0.2
269.04504	100.0
270.04852	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	265.217
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
59.01374	3.0
61.08515	0.3
70.46864	0.7
70.47198	0.3
86.23373	0.3
96.95999	10.2
118.77911	0.3
248.09950	0.3
265.14905	7.5
265.21683	100.0
266.15179	0.5
266.19199	0.4
266.22025	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	267.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
59.01370	19.4
70.36686	4.5
71.00985	2.3
71.01373	32.8
72.99300	7.0
73.02943	72.2
78.95458	2.2
78.95898	27.1
80.96515	1.9
83.01395	15.2
87.00852	4.9
96.96021	19.9
96.96951	62.6
98.95586	1.6
99.00876	8.1
101.02434	77.9
109.47752	1.4
119.05015	3.5
121.02946	100.0
122.03297	2.7
123.04459	1.6
127.00344	6.1
135.04504	10.1
136.01610	4.8
145.01405	28.3
147.04477	1.7
151.03999	6.4
163.03923	2.5
163.76242	1.8
177.05582	1.7
181.05083	2.7
187.09647	3.1
216.36336	1.5
223.06056	1.8
249.04318	2.0
249.07629	1.9
267.05481	9.7
267.08609	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	263.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01704	0.9
69.60390	2.2
73.02951	0.5
84.21370	0.3
97.01019	0.3
101.02442	0.5
126.07782	0.3
168.28873	0.3
185.43452	0.4
276.80267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2013
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01376	4.3
63.78948	0.3
71.01367	0.7
83.05005	0.6
98.19823	0.8
133.02916	0.8
154.29570	0.4
157.02950	0.5
219.17395	0.4
219.21169	0.5
222.46501	0.4
223.85416	0.4
245.19035	0.5
261.69952	0.5
263.20123	100.0
264.20432	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	265.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
59.23318	0.4
59.90728	0.4
60.34315	0.5
64.15916	0.5
94.38213	0.5
96.95995	3.5
99.04510	11.1
110.77943	0.4
115.03996	2.8
121.02943	50.4
122.03256	1.4
143.03482	100.0
144.03816	2.1
169.26791	0.5
224.97298	0.5
265.07291	7.0
265.10352	0.6
265.11328	0.5
265.14429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02980	0.3
59.01381	0.3
79.95712	1.8
84.24818	0.3
95.95239	0.4
96.96000	100.0
110.15620	0.3
134.85997	0.3
185.11809	1.7
202.20183	0.3
221.08443	0.4
265.07468	88.1
266.07782	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	265.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.6
57.03434	3.6
58.00584	2.4
59.01374	100.0
60.01688	1.2
70.18878	5.5
71.01374	56.5
72.40824	1.0
72.99281	4.2
73.02937	4.7
75.00874	2.0
80.96483	1.3
83.01378	4.4
85.02943	16.7
87.00848	2.6
89.02434	56.4
95.01372	2.4
96.95978	1.3
98.19892	1.2
99.00877	6.3
101.02431	35.4
103.03976	3.4
107.76406	1.3
108.97282	1.8
111.00860	2.6
113.02434	19.9
119.03485	27.4
129.01926	10.6
131.03442	1.9
143.03477	2.5
161.04553	2.5
173.00894	3.6
179.05540	4.7
186.03789	1.2
254.98796	1.5
265.03726	1.7
265.06760	2.3
265.09290	35.7
266.09726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.9
58.02982	0.6
59.01376	38.7
69.03456	1.0
70.11395	0.9
70.11778	0.8
71.05038	0.8
72.99308	0.4
73.02945	2.1
74.02473	6.0
77.60088	0.5
79.95766	0.7
83.05027	0.9
85.02939	0.5
85.06590	0.5
87.04523	1.5
92.25883	0.4
95.05041	1.0
96.96017	0.7
97.06603	1.5
98.02496	1.3
99.08126	0.6
109.02959	0.7
109.06579	1.0
111.08177	3.1
115.07614	0.5
116.03499	2.7
125.09710	2.3
127.07661	1.1
129.09210	9.7
131.03786	0.7
131.05377	0.9
132.04562	1.6
135.04541	1.0
135.08226	0.5
136.01674	0.5
137.02454	1.1
137.06090	1.2
137.09705	0.8
137.63316	0.4
139.07646	0.4
141.09222	0.6
143.10751	4.6
145.34854	0.4
146.03731	0.4
153.09203	0.9
155.10764	3.7
155.14996	0.4
157.12354	3.7
157.86922	0.5
158.06160	0.7
173.11833	1.8
179.03485	0.9
181.05074	5.6
189.05534	0.6
201.11298	17.9
202.11600	0.7
217.05057	1.4
219.12347	100.0
220.12659	3.7
257.43115	0.4
261.00967	2.2
261.04105	1.7
261.09073	2.7
261.13379	17.1
262.13644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55821	0.4
55.89243	0.5
57.03442	4.9
58.02963	1.2
58.45200	0.5
59.01374	38.1
59.03440	0.5
62.57839	0.5
68.42103	0.5
69.03446	1.9
69.27122	5.5
71.01378	0.8
71.05016	1.4
73.02948	0.8
74.02457	1.5
78.29742	0.5
79.95737	1.3
83.05010	1.3
84.04560	0.7
85.02948	1.6
85.06589	1.4
87.00842	0.5
87.04505	10.6
94.03130	0.5
95.05019	1.6
95.74157	0.5
95.81840	0.5
96.95979	1.2
97.06580	3.1
98.02486	1.3
99.86505	0.5
101.06083	2.2
103.43913	0.5
104.56088	0.5
109.03001	0.6
109.06538	0.9
113.06078	1.6
115.07613	2.0
115.12850	0.5
116.03516	0.8
123.08173	1.1
125.09711	3.9
128.03511	1.2
131.01688	1.2
131.03760	1.9
132.04541	2.2
133.01993	0.5
135.04507	1.7
137.06078	4.0
140.01457	0.5
143.10765	0.8
144.04498	1.0
149.06068	1.5
151.07651	0.6
153.09189	2.0
155.10770	3.5
157.07655	1.3
157.12323	4.1
158.06114	1.6
173.11804	9.3
175.08763	0.9
179.03520	1.0
181.05054	7.1
181.08612	1.3
201.11292	21.6
202.11557	0.5
219.12343	100.0
220.12663	3.6
261.00854	6.7
261.04556	3.5
261.09006	4.3
261.13370	16.2
262.13660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0435
Annotation	CLONIXIN
Peak:m/z	Relative Intensity
53.90529	0.4
57.03434	1.2
59.01362	0.9
63.85371	0.3
69.49354	1.7
69.49765	0.8
78.32355	0.3
79.95731	16.1
80.91684	0.7
80.96518	3.2
83.60610	0.4
96.80056	0.3
96.96006	0.9
108.02171	0.7
109.02909	0.4
111.04549	0.4
121.02962	0.8
122.03734	9.7
124.01621	0.7
135.04570	0.3
137.02405	0.7
137.06104	1.7
138.05598	0.7
153.27048	0.3
154.02731	0.5
155.09351	0.3
179.02396	0.3
179.07135	2.4
181.08699	100.0
182.08995	3.7
242.94759	0.5
261.04361	61.8
262.04630	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	261.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09263	0.8
56.34235	0.8
59.01363	1.9
61.98837	1.0
71.63486	1.0
87.04510	5.4
91.05528	3.7
115.04003	36.8
115.83362	0.8
117.03450	9.1
119.05007	1.6
119.64915	0.7
121.14580	0.9
130.04173	1.1
161.09689	1.1
183.13957	1.1
189.09190	100.0
190.09550	5.7
211.13391	6.1
261.07632	1.5
261.11182	1.1
261.15143	1.7
261.22372	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	257.2119
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
59.01358	1.5
71.62145	0.8
75.00859	2.5
75.90019	0.8
80.25296	0.5
80.50036	0.5
83.05025	0.9
140.75983	0.7
183.17461	1.0
185.74510	0.5
207.17451	0.9
209.19089	3.6
211.20639	58.8
212.20966	2.5
239.20210	1.4
257.21201	100.0
257.93918	4.2
258.21484	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	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86704	4.2
56.73462	4.2
57.03447	17.7
59.01378	57.8
68.99821	4.3
69.03455	7.9
71.01377	59.3
72.99313	10.1
73.02944	8.3
78.91889	12.2
78.95901	63.9
79.95745	5.4
80.96525	22.4
81.03474	6.8
83.01388	20.3
85.01220	10.0
85.02964	21.0
87.00891	13.5
88.98779	6.2
96.96011	63.3
96.96947	43.6
97.02933	5.5
99.00880	42.9
99.04531	8.6
101.02448	10.7
111.00896	33.5
111.04543	4.9
112.98797	100.0
115.00380	7.0
121.02939	5.5
124.09054	4.3
127.00383	10.4
128.03586	6.7
129.00188	14.9
129.01933	38.7
130.08740	5.4
135.04520	9.3
137.09695	8.5
138.97050	18.8
145.01419	9.3
146.40607	4.2
153.07419	5.0
155.10765	14.3
156.91109	6.2
158.99699	9.0
171.15019	5.1
172.97711	6.1
173.00943	36.3
174.99272	6.5
179.03481	7.7
186.99193	11.8
191.01949	10.0
198.99197	43.3
199.09758	39.5
205.03661	7.3
213.00734	9.4
217.10725	39.1
221.06635	4.8
241.00240	29.1
259.01193	99.6
259.05396	7.0
259.11929	6.8
270.53564	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
71.07370	0.2
71.07729	0.4
75.89118	0.2
79.71436	0.2
79.95731	2.5
96.96001	100.0
97.95913	0.4
114.71455	0.2
176.20506	0.2
241.72298	0.2
251.36658	0.2
259.06409	34.8
260.06729	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
60.42235	0.2
65.78767	0.2
69.51752	0.4
69.52151	1.3
79.95723	6.0
79.96178	0.4
95.95229	0.4
96.95999	100.0
97.95937	0.3
109.02913	0.2
134.06207	0.2
162.62674	0.2
175.03964	0.4
180.06694	0.8
197.15294	0.2
199.13376	0.8
209.11852	0.3
229.43860	0.2
244.04025	1.2
259.06396	45.0
259.15393	1.1
259.18997	1.8
260.06769	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	259.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.4
58.55182	1.2
59.01374	70.9
65.86097	1.3
69.03442	3.0
71.01385	2.8
71.05022	2.5
71.62186	2.6
72.99299	11.7
73.02968	1.5
80.96510	55.6
81.03444	5.7
81.68301	1.2
83.04995	3.0
89.02433	1.6
96.96008	5.9
97.02968	4.1
97.06585	8.6
99.04504	13.7
99.08145	6.7
101.06065	1.9
110.89803	1.4
111.04503	1.6
125.09695	8.6
128.03516	2.3
129.00160	3.4
129.10350	1.7
130.08740	4.1
135.04500	9.0
135.08145	3.0
136.13504	1.5
137.09711	22.2
146.99496	1.5
152.98663	2.1
153.09216	2.6
155.10768	29.9
162.03215	5.6
177.05540	7.6
179.03464	5.4
179.07130	1.7
181.08722	1.5
198.99179	1.5
199.09726	87.6
200.10081	3.8
217.10782	100.0
218.11084	5.3
259.02734	10.9
259.05933	2.9
259.11816	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	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
71.33791	0.6
71.35680	0.8
78.94971	0.6
79.84367	0.6
80.02666	2.0
81.03447	1.8
83.05024	6.3
84.02152	3.0
95.05010	1.1
109.06523	0.7
153.01825	0.8
163.11266	4.9
165.12871	3.2
181.12300	1.0
191.10710	1.1
209.11804	100.0
210.12169	5.4
227.12859	11.5
258.12555	0.6
259.06168	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	257.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47433	0.8
53.82638	0.7
59.01374	38.3
69.03449	16.3
70.30828	1.6
70.31195	1.3
71.01360	1.1
72.98920	1.0
72.99304	14.4
73.02929	3.2
74.99091	1.6
76.98676	0.9
81.03445	1.0
82.90688	0.7
83.05062	0.9
85.02940	4.4
91.05523	2.3
93.03449	2.9
93.07085	1.3
94.49664	0.7
95.05017	5.9
96.96007	1.2
97.02971	1.6
97.06554	1.5
97.16714	0.7
105.07088	1.9
106.04248	1.1
107.05007	0.9
108.02132	1.2
109.06599	2.5
111.04502	2.7
117.07085	6.6
119.05018	2.7
121.06537	1.2
123.08157	1.5
125.09688	1.6
133.02963	1.3
133.06549	2.7
135.04515	3.3
135.08148	10.9
137.02446	0.9
137.06052	1.7
141.09157	1.4
149.06091	1.1
151.03992	1.5
151.07632	1.5
153.09186	1.5
155.17398	0.7
159.04652	0.7
168.99709	1.1
169.01222	1.0
176.03999	4.5
177.01888	12.3
179.03455	1.7
179.07120	8.9
195.10225	0.9
197.08167	12.4
215.09212	100.0
216.09567	3.3
256.97626	1.0
257.10287	13.8
257.21167	1.2
257.23846	1.1
258.10632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1755
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
57.01527	0.4
57.03412	0.6
59.01367	0.8
62.59382	0.4
70.76354	1.0
75.00849	0.6
83.05021	0.4
87.00803	0.4
97.30367	0.4
100.65449	0.4
151.61052	0.4
195.17509	47.6
196.17876	2.7
196.92479	0.7
197.90283	0.9
213.18611	1.0
221.84143	0.5
239.16487	48.5
240.16817	3.1
257.17548	100.0
257.21072	7.5
257.94214	0.5
258.17859	5.9
258.20929	0.5
263.24194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2118
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
56.46935	0.2
59.01356	0.3
65.72580	0.2
66.20746	0.2
67.61169	0.2
69.27442	1.3
69.27868	0.7
75.00844	0.3
98.20574	0.4
110.95887	0.2
118.46192	0.2
151.17932	0.2
211.20648	3.9
212.21021	0.3
221.84233	0.3
239.20129	1.7
255.19598	0.7
257.21182	100.0
257.93863	0.3
258.21506	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.8
61.88541	0.6
65.00336	1.7
67.01909	0.9
69.03463	0.7
69.89969	2.0
69.90381	1.1
81.03489	2.3
85.02927	0.7
88.63385	0.6
89.00348	0.7
93.03485	1.0
95.01374	12.6
95.01965	0.7
96.96023	1.1
107.01377	12.9
109.02944	4.8
110.00124	1.8
117.34462	0.5
120.99359	1.4
121.02991	1.7
122.00121	1.6
123.00873	7.2
124.01666	1.0
137.02438	2.5
149.99565	5.5
151.00354	37.5
151.07780	0.6
152.00854	1.3
153.01921	7.0
165.01901	3.2
165.99042	3.2
169.01469	1.7
176.98241	0.8
178.99841	3.3
181.01405	6.4
182.01976	0.7
183.02969	6.4
193.01393	1.1
194.99306	1.2
209.00864	16.1
211.02338	2.3
234.07394	0.6
237.00365	100.0
238.00703	3.3
241.05116	0.7
255.01411	76.3
255.23253	42.1
256.01779	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	256.9758
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00303	0.3
67.01868	0.2
69.78921	1.0
69.79283	0.4
82.92856	0.2
84.78590	0.2
89.03954	0.9
91.01905	0.5
105.03480	0.2
107.01380	0.5
109.02945	0.6
123.04520	0.3
133.02942	1.8
135.00871	0.8
149.02385	0.3
177.01906	100.0
178.02254	3.7
256.23880	0.2
256.97574	14.2
257.97894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9759
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19685	0.2
63.02430	0.2
65.00342	0.2
70.63457	0.5
72.87697	0.2
77.30870	0.2
81.02747	0.2
89.00340	0.2
89.03971	0.8
91.01880	0.4
97.73016	0.2
105.03448	0.4
107.01411	0.3
109.02950	0.8
133.02953	1.4
135.00885	0.8
149.02429	0.3
157.02097	0.2
177.01917	100.0
178.02261	3.8
201.76385	0.2
256.97586	15.8
257.13269	0.2
257.97870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40800	0.3
54.09115	0.3
59.01371	6.1
60.01700	1.3
61.98825	100.0
71.01389	0.5
71.61062	0.3
71.61467	0.5
72.99325	0.5
74.99105	0.4
75.00871	0.5
80.96507	0.4
87.00883	0.6
94.00643	0.3
94.03667	0.3
96.96006	7.2
98.95603	0.7
99.00866	0.4
120.99618	0.5
122.97740	0.3
123.04550	0.4
123.99596	0.3
124.00710	0.4
129.09230	0.5
136.99179	0.4
140.26276	0.3
142.99796	0.6
146.06067	0.3
151.04013	0.3
152.01169	1.0
152.91789	0.9
166.04228	0.3
167.03514	2.5
174.08464	0.4
175.09740	3.5
178.08917	0.5
182.08237	1.0
188.94493	0.3
193.05278	0.4
194.92845	1.2
225.03996	0.5
236.00499	0.4
237.04430	0.5
254.04185	2.2
254.06903	0.9
255.05408	3.6
255.23279	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	254.015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47541	0.3
59.01374	2.3
60.01707	0.6
61.98825	100.0
71.61269	0.4
71.61630	0.4
75.00806	0.3
87.00864	0.5
89.00706	0.4
96.96020	1.5
107.85364	0.3
127.02163	0.4
142.99858	0.5
167.03665	1.1
168.76930	0.4
175.09763	0.4
236.00436	0.4
254.04260	0.7
255.05429	1.5
255.23248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
59.01371	2.4
69.31847	1.3
69.32282	1.5
71.01395	0.6
72.86736	0.3
81.03439	0.9
84.56333	0.4
89.85378	0.3
95.48212	0.3
96.96011	1.9
97.06593	1.2
101.02507	0.3
105.07088	0.5
107.05038	1.1
107.08657	1.4
119.08671	0.5
120.72201	0.3
121.02977	0.3
121.06535	0.8
125.02409	0.3
127.72795	0.3
133.06583	3.7
137.09709	10.6
147.11801	1.3
157.06560	1.0
161.09724	0.9
163.05827	0.5
171.98051	2.7
173.09698	8.7
174.10179	0.4
177.12825	1.2
181.06894	0.9
187.11311	0.6
189.12823	100.0
190.13194	4.2
207.13866	4.9
221.11769	0.8
244.16141	0.4
251.00320	1.0
251.09149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
66.93119	0.3
69.47378	2.9
71.01372	5.6
77.23406	0.4
84.49413	0.4
93.03447	46.3
94.03778	1.0
96.96017	0.9
98.20709	0.4
105.18533	0.4
115.00359	1.9
133.01442	0.8
137.02428	100.0
138.02765	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	253.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60020	0.2
59.01373	26.8
60.01695	0.3
68.51015	0.2
69.33260	1.9
71.01373	0.8
72.99259	0.2
73.02925	0.3
73.74529	0.2
85.02957	0.3
87.00840	0.3
89.02418	0.3
93.03471	0.3
95.54042	0.2
96.96002	0.5
98.19891	0.4
98.95535	0.2
101.02433	0.5
113.02428	0.2
116.77325	0.3
122.01929	0.3
123.02734	100.0
124.03091	2.4
131.39102	0.2
149.04263	1.7
161.04562	1.1
193.03265	2.9
193.07137	2.5
211.04311	9.1
211.06322	0.4
212.04590	0.3
253.05098	0.6
253.09088	0.7
253.11250	0.4
253.14526	0.4
253.21678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
52.26653	8.4
59.01386	63.4
69.91065	53.2
72.51141	9.2
85.36711	9.1
108.99834	8.8
148.47639	10.5
202.72972	8.9
208.34026	11.3
215.02058	9.4
253.21684	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	251.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	45.6
67.92816	2.7
69.60908	20.7
70.30280	3.0
72.99303	5.2
75.95640	2.6
98.95581	4.1
99.31295	3.2
119.04998	3.8
119.80934	2.8
121.02946	100.0
147.04498	58.1
165.05576	45.0
189.89983	2.6
207.06511	4.8
209.08258	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	251.0557
Annotation	MONO(3-CARBOXYPROPYL) PHTHALATE
Peak:m/z	Relative Intensity
55.01875	0.6
56.20141	0.4
57.03441	1.8
59.01373	2.8
60.37647	0.3
61.73495	0.3
64.55674	0.4
67.01839	0.4
68.99802	0.6
69.01503	0.4
71.01375	26.4
71.62969	0.5
72.99302	44.1
73.02932	0.5
75.00444	0.6
75.00867	11.1
83.01344	0.6
84.02133	0.5
85.02943	11.4
86.81986	0.4
87.00867	0.4
93.03468	0.4
93.07822	0.3
96.96010	5.0
99.08102	0.5
107.04942	0.4
111.00904	0.4
121.02942	28.8
122.03279	1.0
129.01923	1.6
131.05026	0.9
133.06612	1.7
135.04512	16.0
139.63205	0.4
149.02370	0.7
151.03972	0.8
155.67342	0.4
158.03760	0.3
159.04439	0.7
161.06026	0.8
163.03935	0.5
174.77057	0.4
179.03450	1.5
189.05553	1.4
205.04961	0.5
207.06367	0.5
251.05579	100.0
251.09232	3.3
252.05904	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	251.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38866	1.1
59.01360	3.6
69.38149	10.3
71.01364	2.3
74.44234	1.2
80.72190	1.0
85.02946	1.5
85.06565	5.2
87.00866	16.1
89.02421	2.8
98.17677	1.2
101.02385	1.3
104.11689	1.0
110.43210	1.2
120.99638	52.2
129.05573	15.7
132.19737	1.1
136.99130	2.1
145.03267	1.3
149.06110	1.5
163.04327	83.6
164.04657	2.1
190.12053	1.2
251.05891	100.0
252.06152	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	251.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43529	1.1
61.84136	1.0
63.52412	0.9
70.64958	3.1
78.79417	0.9
85.06573	5.7
86.93054	0.9
87.00871	13.5
96.95995	1.0
98.20035	1.1
99.24815	0.9
102.98598	2.0
116.88188	0.9
120.99643	48.3
128.94188	1.0
129.05577	14.1
151.12566	1.2
163.04332	76.5
164.04671	1.6
191.81415	1.1
205.06015	1.1
251.05908	100.0
252.06264	3.5
264.54626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78896	0.4
70.04441	0.4
79.95736	1.5
82.84286	0.4
95.95231	0.5
96.95999	100.0
102.24281	0.4
102.98572	0.5
119.05026	0.9
135.02721	1.6
153.64529	0.4
179.01688	1.0
187.02197	1.3
205.03258	0.8
205.05038	1.4
230.42596	0.4
249.07979	47.1
250.08276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
65.96452	0.2
66.92669	0.2
71.01357	0.3
71.62436	0.2
71.62820	0.3
79.95729	2.8
80.96519	0.2
83.01365	0.2
87.00868	0.7
95.05019	0.4
95.95217	1.8
96.96001	100.0
97.95936	0.3
119.05028	1.1
127.58100	0.2
133.02960	0.4
135.04463	0.3
137.05995	0.2
142.97282	0.2
161.06082	0.4
163.03975	0.5
177.01939	1.2
177.05548	0.6
179.01678	0.3
187.02145	0.2
187.03954	0.5
190.02660	0.5
204.04298	0.5
205.03238	0.4
205.05037	4.2
219.06541	0.3
249.04344	1.7
249.07983	53.7
250.08365	2.2
250.14436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1492
Annotation	Sch 601254
Peak:m/z	Relative Intensity
53.71421	1.4
59.01371	17.2
61.98819	3.5
62.36952	1.4
67.64761	1.7
69.03449	27.4
71.01383	2.3
74.38696	1.6
83.05008	2.8
95.05002	3.2
96.10616	1.5
97.06574	2.6
101.02425	1.5
109.06698	1.4
144.93832	1.5
149.13338	2.9
161.02429	3.7
161.13385	1.9
167.10727	3.6
177.01860	3.2
187.14920	3.6
193.12337	5.2
204.04234	12.3
205.08711	1.9
205.12292	9.6
205.15945	9.5
219.06596	8.8
221.15422	14.0
231.13889	30.7
232.14200	2.6
232.68451	1.5
249.07732	5.5
249.14932	100.0
250.14487	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	250.0715
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
58.02973	22.9
58.96899	3.2
59.01365	15.4
65.40007	2.7
69.49990	16.9
69.50411	7.3
70.02966	11.7
71.01384	12.5
72.00901	8.0
72.01703	3.8
73.02914	3.5
73.98927	3.0
75.00848	4.9
75.21342	3.0
79.95723	3.2
85.02962	4.2
86.03278	3.6
87.00883	4.2
89.02478	3.7
91.05515	7.1
91.37138	3.0
96.95995	28.1
98.20654	5.7
104.15615	2.9
113.02401	4.5
113.15252	3.0
114.02782	3.5
135.04454	3.6
136.44550	3.1
147.04474	39.7
162.09314	2.9
164.07146	100.0
206.08206	79.4
250.06412	28.9
250.14537	20.1
251.05934	6.8
251.09509	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	26.3
58.25214	3.3
59.01362	15.4
65.75717	3.1
66.55289	3.6
68.99813	4.3
70.02973	9.0
71.01376	9.4
71.62595	4.5
72.00900	10.6
73.36714	3.1
75.00853	7.3
79.95735	5.6
84.49640	3.5
85.02942	7.7
91.05512	7.4
96.95980	25.8
99.00875	4.3
129.01888	4.2
147.04507	36.5
164.07147	100.0
165.07472	3.6
206.08183	82.9
211.35164	3.8
232.86337	3.6
250.06412	31.8
250.14467	21.8
251.05902	5.0
251.07076	3.9
251.09572	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	247.0641
Annotation	848193-68-0
Peak:m/z	Relative Intensity
63.29433	0.2
70.32878	0.5
70.33272	0.4
79.95717	2.3
80.96508	10.6
89.10180	0.3
95.95224	6.4
96.96001	100.0
100.90209	0.2
117.03477	0.4
124.05309	0.9
152.08376	0.5
159.04416	0.3
165.09250	0.6
167.10789	0.8
186.81100	0.2
203.03615	0.3
247.06416	70.2
248.06770	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	247.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56561	3.6
55.57322	3.1
59.01089	5.7
59.01373	86.4
61.35270	3.3
69.02438	3.1
69.23857	3.1
71.01371	14.2
71.05029	4.9
71.62442	4.9
76.71219	3.3
82.96069	3.8
96.96011	18.4
98.95578	26.8
98.96323	5.2
99.04510	10.0
101.70943	3.3
103.00349	12.1
115.03973	6.9
117.05524	5.3
118.04115	4.5
126.05654	4.7
128.63872	3.7
161.06892	5.9
161.08191	100.0
162.08484	3.7
174.03162	6.2
175.03738	4.4
186.95497	5.8
194.65427	4.2
196.87067	4.1
203.03416	8.9
203.09085	4.2
229.08583	3.9
247.02257	7.2
247.04485	19.2
247.06363	13.3
247.09779	8.3
267.92120	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	247.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06601	2.8
54.12454	3.1
55.30703	2.8
59.01375	85.8
60.62881	2.9
65.94808	3.1
66.37175	3.0
71.01376	11.2
71.04985	4.2
80.96509	3.2
82.96096	6.6
87.04507	3.7
96.96026	15.0
98.20634	7.1
98.95583	26.6
98.96153	3.2
98.96391	2.7
99.04517	14.7
103.00343	15.9
115.03989	12.2
117.05572	6.1
118.04059	4.4
136.44682	3.0
159.04576	3.1
161.08183	100.0
174.03204	4.3
195.65312	3.0
203.03458	6.4
204.90448	3.4
226.85619	3.0
229.08549	3.3
240.08119	3.3
247.02267	7.1
247.04080	16.2
247.06526	6.7
247.09738	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	247.1699
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.37963	0.1
59.01377	0.7
64.73521	0.1
68.18433	0.2
71.01390	0.9
79.95721	0.3
82.73032	0.1
87.97518	0.1
89.02428	0.3
96.24828	0.1
98.19818	0.4
100.35069	0.2
103.03999	0.3
110.51258	0.1
114.66325	0.2
120.21117	0.2
121.02940	0.2
132.98195	0.2
164.50829	0.2
165.01932	0.2
174.99199	0.6
179.07071	0.2
184.00075	1.4
186.95567	1.2
191.01009	0.2
204.20926	0.2
205.15906	0.3
220.17026	1.0
229.04926	0.2
231.13873	0.5
246.06674	0.2
247.17001	100.0
248.08061	1.3
248.17360	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	247.2065
Annotation	Sterol
Peak:m/z	Relative Intensity
51.28323	0.7
57.03432	2.5
59.01373	5.5
61.98817	0.7
64.82574	0.6
69.03452	1.2
71.01385	4.3
71.62383	0.9
73.02943	0.8
79.95727	1.3
89.02438	1.9
90.97134	1.0
97.06605	1.1
103.04005	2.0
108.05796	1.2
121.02942	1.4
125.09679	1.0
132.98184	1.7
139.11246	1.0
144.81610	0.7
147.00926	0.8
157.05208	0.8
165.01869	1.1
174.99216	3.9
175.27734	0.6
179.37494	0.7
184.00186	9.2
186.95584	7.6
229.19566	2.4
232.03722	1.1
247.02573	0.7
247.06062	1.1
247.13489	6.5
247.17104	4.4
247.20634	100.0
248.07970	11.4
248.20970	7.3
262.13968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	35.0
61.11561	0.6
71.05019	6.5
71.62625	1.0
83.05029	0.7
85.06594	4.4
107.25174	0.6
118.80449	0.6
127.11279	2.0
136.06793	0.7
137.09685	1.1
139.11235	1.7
155.10730	1.9
157.12332	16.5
185.11812	14.2
199.13293	0.9
201.05554	0.8
201.11131	0.7
203.12852	100.0
204.13173	3.5
227.12903	2.1
245.04578	2.6
245.08250	0.8
245.13902	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01374	41.5
61.38909	0.4
68.24411	0.3
71.05014	4.7
80.17664	0.4
85.06589	0.4
97.06544	0.6
98.20663	0.8
127.11272	2.4
128.58586	0.4
137.09744	1.0
139.11214	1.3
155.10785	2.7
157.12315	15.1
158.12704	0.7
168.51274	0.4
185.11815	13.0
201.11255	0.6
203.12852	100.0
204.13174	3.4
245.08182	1.1
245.13908	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	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34053	0.4
57.03433	1.2
59.01375	42.7
71.62672	0.6
72.99293	0.9
85.02943	0.7
96.95966	0.7
99.95529	0.4
111.08205	0.5
113.09746	1.0
116.05066	1.2
125.09715	1.1
127.11288	1.0
139.11270	1.6
142.06604	24.3
155.10768	2.9
157.12328	16.5
158.06087	2.7
158.12668	0.6
165.09210	0.8
185.11807	13.8
186.05586	8.1
186.12192	0.9
203.12859	100.0
204.06639	11.4
204.13202	4.0
245.04836	1.2
245.07977	0.6
245.10223	0.8
245.13884	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	245.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39443	0.4
59.01369	1.3
71.01340	0.4
71.06209	0.4
71.51623	0.7
87.00848	0.6
88.17285	0.4
117.03456	0.4
122.03727	7.6
124.01686	0.4
137.02397	1.4
145.87796	0.3
146.03722	1.3
147.04504	10.9
148.05093	0.5
154.02678	0.8
159.04510	0.5
161.02441	0.5
162.91151	0.5
173.06122	0.6
174.99223	0.9
175.03983	22.5
176.04765	100.0
177.05118	4.1
187.03891	0.5
188.04739	1.4
204.07803	0.7
245.04535	0.4
245.08214	0.5
245.11742	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	245.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.5
58.00580	8.8
59.01373	28.1
69.90926	6.1
71.01372	14.7
72.02159	2.5
72.99300	4.0
73.02949	9.3
74.02467	1.8
74.44196	1.3
74.44635	1.3
75.00870	4.0
79.95708	1.5
83.01369	1.8
85.02942	41.2
85.06579	11.2
87.00875	17.4
87.04511	4.7
89.02433	8.0
91.73884	1.3
95.05030	6.3
95.56878	1.4
96.95982	4.2
97.06572	14.2
98.03708	2.6
98.20550	2.0
99.04513	2.9
99.08147	9.7
101.02433	4.5
101.06100	1.8
105.01942	2.3
108.02158	3.5
109.06576	5.1
113.06090	1.5
119.05024	1.9
120.99648	3.3
125.06068	6.6
127.07647	100.0
128.07976	2.8
129.01920	3.9
129.09196	5.6
129.10252	2.4
130.08714	4.3
135.81039	1.5
137.06062	10.9
139.07675	9.9
141.09238	12.2
141.10231	1.9
147.03001	3.8
155.07143	38.1
156.07373	1.5
157.08701	3.8
165.09146	2.6
167.07140	3.8
171.10225	4.5
183.10242	17.1
185.08174	5.4
201.11304	6.1
215.10306	1.6
227.00122	1.8
245.01146	3.5
245.10205	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1179
Annotation	Mansonone S
Peak:m/z	Relative Intensity
55.89033	0.5
59.01370	1.1
69.03448	1.2
70.17024	2.1
75.02828	0.5
79.95745	0.7
85.97090	0.4
87.00912	0.5
104.79137	0.5
122.03725	0.8
123.90952	0.6
129.03441	1.3
139.13530	0.5
143.05034	1.3
145.02933	0.5
145.06569	3.2
146.03723	2.3
147.04501	28.9
148.04901	1.0
155.05022	2.5
158.03752	1.4
159.04488	34.2
160.05154	2.3
161.06122	2.5
162.06995	0.5
162.91061	0.6
165.09181	1.1
172.05280	5.9
173.06049	66.0
174.03194	1.6
174.06380	3.7
174.99295	0.6
175.03970	9.2
175.07507	0.6
185.06099	0.5
187.03996	1.8
187.07628	14.1
188.08252	1.8
189.05556	1.5
189.09171	9.6
197.05945	0.5
201.05540	11.1
201.09309	1.1
203.07138	1.8
204.07851	3.9
215.07068	5.3
216.07878	85.2
217.08267	4.8
217.12326	0.5
218.69434	0.5
245.11781	100.0
246.12160	5.8
248.14037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18169	0.5
59.77287	0.4
60.97539	0.7
61.98859	0.5
67.67640	0.5
71.16638	1.2
72.99302	1.2
73.98318	2.9
74.99091	93.0
75.99421	1.2
109.08308	0.5
109.28973	0.5
119.04997	0.9
120.38137	0.6
136.99133	100.0
137.99387	0.8
163.03960	0.6
243.03264	0.8
243.90488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14340	0.3
54.08887	0.3
59.01385	0.8
61.37698	0.3
64.17279	0.3
69.62741	2.4
75.36986	0.3
79.95728	42.6
80.96505	2.4
103.29799	0.3
111.73316	0.3
147.04506	0.7
148.05293	100.0
149.05595	3.7
162.95320	0.5
163.07637	51.7
164.07915	1.7
199.13380	1.1
225.11320	0.8
228.00938	0.4
243.03285	66.4
244.03625	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85621	0.3
59.01375	0.6
60.80802	0.3
61.98814	0.5
67.01897	0.4
71.05060	0.3
79.95726	44.1
80.96521	2.4
93.03436	0.4
110.02400	0.3
113.28480	0.3
122.03761	0.4
147.04527	0.4
148.05286	100.0
149.05612	3.7
151.43004	0.4
163.07631	56.7
164.07948	2.1
171.10216	0.6
181.12346	0.5
199.13367	1.9
225.11362	0.8
228.00964	0.7
243.03273	68.3
243.12030	1.7
243.15981	1.4
244.03624	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24499	0.7
54.16495	0.7
55.89284	0.8
59.01371	2.5
69.48302	5.2
71.05023	3.3
73.02929	3.3
83.05017	1.1
97.02935	4.7
97.06584	1.7
98.20589	1.3
99.00867	21.9
109.06557	1.7
109.68333	0.7
110.03715	2.2
123.53625	0.6
123.99915	1.3
125.09725	6.5
127.11280	2.0
141.30217	0.8
142.02710	1.2
153.12831	1.0
154.73990	1.0
155.14418	2.0
163.11278	8.6
171.10301	0.9
179.10715	1.0
180.60733	0.8
181.12312	22.3
182.12636	1.2
188.89095	0.7
190.19437	0.9
197.11809	1.1
199.13364	17.6
200.13834	1.1
201.11191	1.0
207.10231	45.5
208.10573	2.0
225.11287	84.1
226.11642	4.1
243.06851	2.4
243.12329	100.0
244.04771	3.6
244.12651	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	243.1234
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.24499	0.7
54.16495	0.7
55.89284	0.8
59.01371	2.5
69.48302	5.2
71.05023	3.3
73.02929	3.3
83.05017	1.1
97.02935	4.7
97.06584	1.7
98.20589	1.3
99.00867	21.9
109.06557	1.7
109.68333	0.7
110.03715	2.2
123.53625	0.6
123.99915	1.3
125.09725	6.5
127.11280	2.0
141.30217	0.8
142.02710	1.2
153.12831	1.0
154.73990	1.0
155.14418	2.0
163.11278	8.6
171.10301	0.9
179.10715	1.0
180.60733	0.8
181.12312	22.3
182.12636	1.2
188.89095	0.7
190.19437	0.9
197.11809	1.1
199.13364	17.6
200.13834	1.1
201.11191	1.0
207.10231	45.5
208.10573	2.0
225.11287	84.1
226.11642	4.1
243.06851	2.4
243.12329	100.0
244.04771	3.6
244.12651	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	243.1962
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
57.90044	0.3
59.01374	1.7
61.98835	2.0
65.26255	0.3
67.01915	0.3
71.19254	0.4
76.68932	0.3
84.73383	0.3
108.02184	0.3
110.02465	0.5
111.00867	0.5
134.14594	0.3
135.00795	0.3
154.13603	0.3
195.17496	0.5
197.19122	3.6
198.19478	0.4
225.11266	0.5
225.18488	1.4
241.18057	0.8
243.19612	100.0
244.19946	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	245.0452
Annotation	Isopimpinellin
Peak:m/z	Relative Intensity
52.32347	0.5
53.73208	0.5
56.33125	0.4
59.01369	1.3
69.37041	1.2
69.37445	3.0
96.96008	1.8
100.77239	0.5
101.06080	0.5
108.02201	0.6
112.57369	0.5
113.28434	0.5
116.02681	1.4
117.03452	100.0
118.03790	3.2
136.05309	0.8
145.06589	1.6
157.06569	0.5
158.03769	0.9
159.04544	1.1
166.05045	4.7
173.06047	26.2
174.06346	1.1
186.03246	1.0
201.05542	82.8
202.05902	4.0
209.11826	0.8
227.12807	2.4
245.04515	14.2
246.00771	0.8
246.04878	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26669	0.3
59.01389	1.8
59.01630	0.3
69.46589	2.7
79.95731	3.0
80.92778	0.3
80.96514	21.6
83.13578	0.4
95.95221	5.5
96.96005	100.0
97.02928	2.8
97.95896	0.4
98.10880	0.3
101.06120	0.4
111.73546	0.3
118.76549	0.3
122.03716	0.5
147.08168	0.8
150.03224	3.4
150.06764	0.5
150.52943	0.3
165.05586	3.6
165.09163	2.5
171.37779	0.4
173.06070	0.3
227.13136	0.4
245.04851	72.6
246.05194	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	245.0927
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
55.24514	1.0
58.02970	23.0
59.01379	1.9
70.02974	15.7
72.00893	3.7
72.04527	3.7
74.02467	100.0
77.16012	1.2
79.58559	1.0
79.95731	6.3
80.96524	2.2
98.02466	22.9
107.05005	2.9
116.03528	27.0
116.05043	33.8
118.16634	0.9
130.06592	4.3
142.06602	7.6
159.09251	5.5
165.09193	24.3
183.09277	2.0
186.05634	2.5
201.10275	6.8
203.08250	85.3
204.08553	4.3
245.05037	26.5
245.09262	94.7
246.09680	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	241.1444
Annotation	Annuionone F
Peak:m/z	Relative Intensity
52.02386	0.7
57.03445	13.7
59.01373	7.9
60.56931	0.7
67.01890	0.9
68.04797	0.6
68.99837	0.6
69.03460	1.9
69.41044	1.2
69.41459	4.5
71.01372	2.0
71.05022	1.2
73.02937	3.2
78.91890	2.5
81.03432	3.4
83.05035	1.8
91.25275	0.7
92.29183	0.6
93.07126	1.0
95.05030	4.5
96.96009	1.3
97.02935	5.4
97.06570	3.0
98.03716	0.7
98.95594	3.7
99.04501	1.2
99.08158	1.8
101.02410	1.3
102.21809	0.7
107.05029	1.1
109.02953	1.3
109.06591	6.9
110.03754	1.6
111.04493	3.4
113.06072	1.1
119.08672	2.5
121.06575	3.7
122.03720	0.7
123.04512	1.9
123.08150	6.7
124.05296	25.0
125.06137	3.3
133.06601	0.8
135.04570	0.9
135.08179	2.3
135.09848	0.6
136.05284	9.9
137.06093	1.5
137.09694	3.8
138.06847	1.6
139.07643	100.0
140.08011	3.2
141.09200	1.6
147.08142	1.1
149.09712	14.7
151.07642	34.7
151.11304	1.6
152.07944	1.2
153.09164	1.3
155.89690	0.5
159.08092	1.4
159.10260	2.5
161.09711	7.6
163.07634	2.7
163.11237	1.4
164.08398	1.3
165.09219	1.7
167.07158	0.6
167.10774	2.3
169.08675	3.3
173.09717	0.6
175.07593	0.7
175.11264	2.4
177.09235	4.9
179.10765	27.7
180.11110	1.3
181.07227	1.2
181.08717	1.9
191.10730	1.1
193.12321	10.3
194.12500	0.6
197.11806	2.6
199.09732	7.6
203.10742	1.0
205.12352	3.4
211.13336	1.3
211.25241	0.6
221.11815	3.5
223.13382	25.6
224.13651	1.8
241.05324	4.1
241.14432	84.0
242.14803	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	242.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30222	0.3
59.01374	6.3
69.84656	1.6
71.01389	0.3
71.53919	0.3
73.40542	0.3
74.98351	0.3
74.99094	0.6
79.95728	1.4
83.05044	0.4
87.04532	0.4
93.03450	0.4
96.96008	5.7
99.83715	0.3
101.02433	0.5
109.06589	2.0
113.85933	0.3
115.42811	0.3
119.05019	100.0
120.05344	2.7
121.02995	0.3
125.09711	0.3
136.99156	0.3
137.06064	0.4
137.09676	0.6
149.70091	0.3
156.01237	0.8
159.04474	0.6
163.03993	85.8
164.04330	2.7
165.01874	0.3
173.06078	0.4
181.08604	0.3
183.10254	0.9
199.00664	1.9
199.09776	0.5
199.18074	0.4
201.05600	1.1
201.11327	3.4
204.17488	0.3
242.99651	23.9
243.06586	3.0
243.08768	0.4
243.12349	4.7
243.16997	0.6
243.99977	0.7
245.30658	0.3
252.30270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28082	0.6
57.03419	1.2
59.01373	53.4
67.05515	2.2
68.43864	0.6
69.03434	3.6
71.63239	1.0
72.99303	6.7
73.02930	2.2
78.91879	12.9
81.26146	0.8
83.05013	3.1
83.88562	0.7
95.05028	1.3
101.02432	1.3
107.08655	12.9
109.06559	1.0
109.21935	0.6
111.04509	45.5
112.04888	0.8
119.08663	5.3
123.08087	1.9
129.05571	1.7
135.08156	1.2
135.98343	1.6
137.05928	0.8
139.07607	2.1
151.07619	2.0
153.09169	2.1
161.06046	2.9
163.07590	3.6
169.08723	1.2
179.10783	1.0
181.07179	1.3
181.08662	14.4
196.96080	1.3
197.11815	1.9
199.09727	100.0
200.10019	3.0
223.02267	0.8
240.95015	2.0
241.01726	1.1
241.05086	2.5
241.10797	5.2
241.14328	1.9
241.21774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.41837	0.8
54.36543	0.8
57.03432	2.4
58.29802	0.8
59.01367	2.6
63.97153	0.7
67.01890	0.8
68.99784	1.5
69.03447	2.9
69.26530	8.0
71.01362	1.1
71.05017	3.2
72.69985	0.8
78.43411	0.8
81.03444	1.4
83.05019	5.5
95.04979	1.1
96.96001	1.1
98.19909	1.7
99.02747	1.2
101.02418	2.7
123.08168	1.6
125.09726	2.8
128.15561	1.0
151.11281	1.7
153.12813	3.3
161.06058	1.6
161.09723	1.5
179.10739	8.9
181.07179	3.2
191.84750	0.8
195.15027	0.8
197.06070	6.4
197.11809	100.0
198.06534	0.8
198.12134	4.4
213.16032	2.4
223.09715	5.0
241.05075	5.1
241.10794	94.4
241.14613	2.8
241.21672	1.6
241.99396	0.9
242.11136	3.2
263.51984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1078
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.71966	0.7
51.40828	0.6
52.55514	0.6
59.01373	100.0
60.01717	0.8
61.98827	1.2
65.03988	1.0
67.01878	1.5
69.03460	1.3
71.01379	1.3
71.61982	1.1
73.02946	1.2
79.95737	1.1
81.03458	1.3
83.04997	0.8
85.02928	0.7
89.02462	0.7
95.05017	1.5
97.02945	1.2
97.06593	0.9
101.02442	2.1
107.05027	1.3
108.02188	1.0
109.06577	1.6
119.05013	27.6
121.02901	0.9
121.06602	3.9
123.08112	1.6
125.06044	1.0
135.08167	0.8
137.09705	1.0
145.06616	3.6
149.09679	1.5
151.07632	4.3
153.01936	1.0
153.09195	2.5
153.71190	0.7
161.02385	1.3
161.09686	1.3
163.07622	6.7
179.10747	4.5
181.07162	2.4
181.08583	0.8
197.08160	1.2
197.11784	2.2
224.73302	0.7
231.06247	0.9
241.07133	1.8
241.10779	69.0
241.21729	1.2
242.11145	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	241.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34750	0.6
59.01377	27.6
61.98809	1.5
67.01882	1.2
68.99818	1.1
69.03458	1.2
71.01353	0.8
71.62375	0.9
83.01383	1.0
85.02970	1.7
89.02444	0.7
91.01901	1.1
95.05026	1.6
96.96005	1.3
99.00864	1.0
101.02464	1.3
108.02161	0.9
109.06615	0.8
111.00903	0.9
119.05010	5.4
120.68227	0.7
121.02917	1.2
122.03780	1.1
123.00884	7.9
123.04514	1.8
124.01617	1.0
125.02360	0.8
127.33880	0.8
134.99808	0.7
135.00821	4.4
137.02448	1.3
137.06059	1.0
138.03244	4.2
139.00340	3.1
139.04001	5.2
149.02444	1.5
150.03212	2.4
151.00360	2.8
153.01927	17.2
153.05560	5.0
153.09081	0.7
163.00363	62.0
163.07668	1.0
164.00635	1.8
165.01939	1.5
166.99869	0.8
178.02701	79.6
179.03137	3.5
179.10730	0.9
181.01416	36.1
181.07149	2.0
182.01704	1.2
183.06613	24.9
184.06921	1.1
186.04202	0.8
193.05042	52.6
194.05334	1.8
195.02950	1.5
196.03780	9.3
197.04410	0.7
211.02542	3.7
211.06096	100.0
212.06418	4.2
217.17915	0.8
217.85295	0.7
226.04803	12.6
227.05141	0.7
241.07158	62.5
241.10822	16.1
241.21732	1.5
242.07483	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	241.108
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.44907	0.8
53.91779	0.7
57.03444	5.7
59.01374	41.6
63.27197	0.8
63.96240	1.2
64.66556	0.9
67.01900	0.9
69.49937	5.0
72.99307	8.1
73.02962	1.0
78.91874	5.9
78.92175	0.6
85.02946	1.4
93.07085	8.2
96.96008	1.2
106.04221	1.0
109.06584	3.0
111.04523	2.2
119.08662	21.5
124.05195	0.9
135.08138	6.8
135.98340	3.2
137.09694	1.1
139.07610	2.1
151.07648	1.1
153.05634	1.3
163.07634	6.2
179.10654	0.8
181.07155	1.6
181.08670	12.1
196.96066	1.0
197.00929	0.9
197.11919	0.8
199.09744	100.0
200.10065	3.9
223.09615	0.7
240.95070	1.3
240.99928	1.2
241.05072	1.3
241.07251	1.7
241.10803	5.2
241.14409	2.3
241.21809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0918
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
55.01860	1.7
59.01376	0.8
69.34101	3.5
85.02943	0.4
87.04502	1.2
90.75978	0.4
91.05522	19.0
93.03424	0.4
96.90160	0.4
98.20660	0.9
101.60829	0.3
117.03453	24.2
118.03770	0.7
119.05006	4.1
125.55058	0.4
135.04518	1.9
161.09650	1.1
193.16069	0.6
237.09171	100.0
238.09480	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	239.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67263	0.5
53.24371	0.6
59.01373	23.8
64.43188	0.6
65.29147	0.5
65.68755	0.5
69.90095	2.0
71.01393	1.6
73.02923	0.7
76.95472	0.5
79.95731	1.9
85.02930	1.5
87.00865	4.3
89.02443	0.5
96.95999	100.0
99.00854	1.6
101.02425	0.9
113.09713	4.6
114.16425	0.5
117.01923	1.3
125.02474	0.6
133.01390	0.6
141.01897	1.0
150.51534	1.0
159.10246	43.9
160.10597	1.2
161.04535	4.7
177.01880	0.7
179.05582	21.6
221.00865	1.6
223.02821	0.7
236.11069	0.6
239.05901	91.5
240.06223	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	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01707	1.0
64.48454	0.6
69.03445	1.3
69.89523	3.2
71.01373	12.9
72.99303	1.6
73.02941	3.3
75.00903	1.2
83.01393	1.5
85.02950	6.1
87.00869	20.4
88.01212	0.7
89.02442	12.2
90.25591	0.7
97.02943	2.2
98.19933	1.1
99.00864	5.3
101.02427	5.3
105.01924	2.2
108.93743	2.9
111.00871	0.7
113.02446	2.8
117.01940	5.6
119.03500	1.5
125.02457	2.9
129.01903	1.0
131.03488	1.9
134.46503	0.8
136.93214	1.5
141.01904	1.6
147.02928	0.8
149.04520	2.5
159.02986	1.9
161.04535	18.0
165.04021	8.8
177.03954	1.1
178.94237	2.1
179.05594	92.9
180.05914	2.1
185.98105	4.3
203.00642	1.2
203.99117	1.0
221.06599	3.1
238.96269	0.8
239.07704	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	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
71.01375	18.5
71.62512	0.4
72.01722	0.3
73.02940	0.9
77.03968	0.3
79.95730	0.6
83.01360	0.6
85.02950	0.4
87.00871	0.4
89.02425	0.6
93.03471	0.3
96.95351	0.4
96.95999	7.9
113.02451	0.4
115.00362	9.2
121.02944	100.0
122.03278	2.9
133.02937	1.8
149.02441	0.9
149.06071	0.4
149.09819	0.3
193.04973	0.6
193.08701	0.5
219.13971	0.4
222.05461	0.3
232.82637	0.3
237.00304	0.9
237.04115	0.8
237.07896	6.3
237.11455	0.4
237.14865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36768	0.3
55.01879	2.2
55.61917	0.3
59.01366	1.3
63.28659	0.3
69.50195	1.1
69.50615	1.0
71.01350	0.6
73.02919	0.4
85.02955	0.4
87.04501	1.7
91.05521	14.9
96.95969	0.4
101.02457	0.4
117.03449	24.4
118.03764	0.5
119.05022	4.5
135.04478	1.9
146.03673	0.8
149.09676	0.4
159.08157	0.6
161.09715	1.6
164.74396	0.4
167.10796	0.5
182.94199	0.3
193.15991	1.0
195.81683	0.3
209.09753	0.5
219.13971	0.3
237.09169	100.0
237.14503	3.8
238.09477	5.2
239.26260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
59.01386	0.5
59.98473	0.2
61.98829	0.5
62.88327	0.2
69.03451	0.2
69.82400	0.6
69.82809	0.3
70.33926	0.2
75.00887	0.3
109.02969	0.2
114.89809	0.2
120.05815	0.2
134.03737	0.4
135.04504	0.2
136.05257	0.5
141.36742	0.2
148.05304	6.9
149.05775	0.4
149.09703	0.8
162.06885	0.3
175.07724	0.2
176.08472	0.7
177.09198	37.9
178.09547	1.8
180.07892	0.3
190.09967	1.4
191.10709	0.8
192.11555	27.2
193.11957	1.6
201.09242	0.7
203.07130	0.4
206.09485	0.2
217.08694	3.2
218.09441	6.8
219.10023	0.2
236.10509	100.0
237.10898	6.3
237.14726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1336
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
54.01717	0.7
56.01298	0.7
57.03442	7.8
59.01373	6.1
61.17862	0.7
69.28412	4.1
69.28843	2.4
71.01363	0.8
81.95306	0.7
83.05022	1.3
85.02931	7.0
87.81773	0.8
95.05028	0.8
96.26904	0.7
96.96011	0.7
101.02446	0.9
107.05045	1.7
113.06084	1.7
113.63984	0.7
119.05039	1.0
121.06608	4.6
121.10205	2.5
123.08135	0.8
133.06682	0.8
135.08205	1.0
137.09708	28.5
138.10085	1.0
147.08154	6.2
148.05295	1.2
149.09650	0.9
159.08218	0.7
163.07611	2.1
163.11263	100.0
164.07138	0.8
164.11559	3.9
165.09123	1.2
173.09702	2.8
175.07655	1.2
175.11249	5.5
177.81158	0.8
187.07704	0.7
189.12868	1.6
191.07120	2.4
191.10742	2.3
199.11325	1.7
201.09186	11.9
202.09967	3.4
203.10347	0.7
215.10728	0.8
217.12296	56.9
218.12613	2.9
226.29718	0.7
235.06104	2.2
235.08220	2.6
235.13350	77.7
236.13724	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12613	0.3
54.61305	0.2
59.01371	12.6
59.96720	0.5
60.97504	0.5
66.11671	0.2
67.01873	0.5
70.07281	0.6
71.01385	0.2
74.99055	6.6
75.00854	0.5
75.96220	0.3
91.02183	1.0
93.00114	2.0
93.03451	2.6
96.96012	0.3
97.92981	0.2
98.20576	0.3
111.04518	0.4
118.96278	0.8
134.99382	6.2
136.97301	1.8
141.07423	0.3
143.05301	0.9
147.84949	0.2
149.00934	63.5
150.00890	2.5
150.98865	0.7
159.08450	1.9
161.06369	2.8
164.76506	0.2
172.97595	0.3
173.04530	3.5
201.04134	0.3
215.05649	1.2
215.09105	0.2
217.07164	87.4
218.07370	5.0
233.10291	100.0
234.10435	5.7
234.15686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49355	0.3
55.01873	0.5
57.58041	0.3
58.99597	2.9
59.01374	10.9
61.98820	0.9
71.01383	2.4
72.99313	0.7
73.02935	0.8
79.95708	0.3
83.01390	0.5
85.02957	1.3
87.00873	3.6
95.01313	0.3
96.96010	1.3
99.00899	0.7
101.02426	2.2
103.02227	4.9
105.03792	100.0
106.04145	1.3
112.83013	0.3
113.02466	1.0
119.05033	0.4
132.98207	0.3
145.06551	0.4
147.04704	0.6
148.05287	0.6
161.04546	0.4
163.03986	0.5
163.07620	0.6
175.04312	5.6
176.04764	0.4
176.99739	0.3
191.03539	0.6
191.07152	1.2
193.05373	18.5
194.05782	0.5
201.23520	0.3
218.38474	0.3
235.02420	0.8
235.06306	3.6
235.09821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1024
Annotation	Isofraxinellone
Peak:m/z	Relative Intensity
56.67926	0.6
59.01368	1.7
67.80778	0.6
71.62685	1.1
90.59077	0.6
101.30779	0.6
126.29292	0.6
130.04243	0.8
133.69766	0.6
146.03738	2.6
149.06104	1.4
151.07635	4.6
158.02571	0.7
158.03708	3.1
159.04497	11.1
159.08142	1.1
170.88289	1.2
172.05287	13.2
173.06053	13.8
174.06793	0.9
183.04501	1.2
187.04120	5.5
187.07625	100.0
188.04732	0.9
188.08032	6.1
201.05556	42.1
202.06326	70.4
203.06754	2.6
203.10802	0.7
204.04227	2.2
216.07957	1.8
224.35768	0.7
231.06770	1.3
231.10233	26.4
231.17697	0.9
232.10550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20470	0.2
59.01374	3.0
69.49188	1.5
79.95755	0.5
93.03452	1.0
98.20633	0.4
107.03734	0.3
122.03736	6.1
152.03522	100.0
153.03864	2.4
173.04547	0.9
173.19893	0.2
201.68466	0.3
206.93309	0.2
231.99171	10.6
232.99574	0.3
233.08495	1.7
233.15404	0.9
241.99516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65685	1.5
55.01862	2.0
57.03445	17.3
59.01373	100.0
67.01901	6.8
68.99815	2.5
69.03446	3.2
70.88544	3.4
71.01378	52.5
71.05026	3.2
72.99303	3.9
73.02951	12.5
75.00867	2.7
80.96502	2.4
81.03476	1.7
83.01359	11.0
84.60110	1.4
85.02928	13.4
87.00874	1.9
92.05080	1.6
93.03463	3.4
96.95987	4.4
99.00871	32.1
99.04502	5.0
101.02446	5.7
107.01353	3.4
108.02214	1.8
109.02931	17.6
111.00874	22.9
129.01932	32.1
129.05577	14.1
135.00937	3.4
135.04475	1.4
145.01454	2.2
146.08278	1.6
147.06618	32.5
153.01935	34.3
173.00876	5.1
173.04501	4.2
189.07715	4.6
214.96556	14.4
232.97543	14.3
233.04753	2.2
233.10298	1.6
233.15363	9.9
234.09677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81859	0.4
98.19774	0.7
120.99644	100.0
121.99949	1.5
129.58206	0.5
139.02199	1.0
187.93195	0.5
216.95284	0.4
224.13063	0.5
227.03842	2.0
227.12808	0.7
234.30061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
69.34161	2.7
69.34566	0.7
71.05025	0.6
80.02659	1.5
81.03434	1.0
83.05020	6.2
84.02152	3.3
95.05027	0.8
98.20607	0.8
98.28973	0.4
126.92885	0.4
135.08125	1.2
163.11292	5.7
165.12808	4.1
181.12398	0.8
191.10799	1.5
198.12051	0.4
209.11800	100.0
210.12140	4.6
227.12828	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	227.1287
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.32577	0.3
57.03449	0.3
58.87491	0.3
59.01353	0.3
61.87768	0.3
69.29233	1.4
69.29661	1.2
73.84091	0.3
101.68334	0.3
111.08150	1.0
153.43092	0.3
165.12831	19.8
166.13242	0.6
174.17520	0.3
183.13876	100.0
184.14229	4.2
191.10667	0.3
209.11801	3.4
227.12857	23.0
228.13153	1.2
228.77510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13227	0.4
59.71485	0.5
62.59207	0.5
65.53629	0.4
71.05003	0.4
80.02661	1.6
81.03449	1.9
83.05010	6.4
83.05460	0.6
84.02171	4.3
95.05027	0.8
96.00319	0.5
96.30479	0.4
98.19815	0.7
125.06067	0.8
135.08189	1.1
163.11290	5.7
165.12831	3.9
181.12390	1.0
191.10791	1.7
199.13280	0.5
209.11809	100.0
209.32446	0.6
210.12170	5.5
227.03160	0.9
227.12836	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	229.0536
Annotation	thymol sulfate
Peak:m/z	Relative Intensity
50.41531	0.3
69.37252	1.9
69.37657	0.7
76.02919	0.3
79.95729	27.6
80.96496	1.6
99.17448	0.3
105.70988	0.3
109.53004	0.3
121.71802	0.4
126.48323	0.4
149.09703	100.0
150.10033	3.4
151.04031	0.5
184.58900	0.3
227.59021	0.3
229.05365	71.1
230.05675	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	230.0126
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
53.46376	1.0
55.12488	0.7
58.83744	0.9
61.93372	0.7
64.98286	0.8
69.83140	1.7
69.83540	2.9
73.01161	5.8
80.05058	1.4
82.02977	6.0
84.64516	0.8
96.04546	30.0
97.04913	1.1
98.99075	4.6
104.16135	0.8
108.04547	28.4
114.00182	87.2
115.00517	2.3
116.84219	0.9
131.03105	0.9
141.54922	0.8
142.03305	100.0
143.03587	2.9
186.02280	41.0
187.02574	1.7
209.16707	0.9
230.01247	97.2
230.99544	1.1
231.01584	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	231.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53435	1.6
59.01087	3.3
59.01372	53.0
64.07017	1.7
71.62871	2.4
75.07462	1.7
81.83015	1.7
87.00904	1.9
99.08164	16.9
119.87143	1.8
127.07637	9.8
127.61924	1.9
140.12508	1.9
142.51819	3.2
145.08691	100.0
150.74147	1.7
152.03494	2.2
159.39308	1.8
162.57886	1.9
171.10109	2.2
187.07904	1.8
187.09712	5.1
187.13358	3.3
195.62982	2.1
208.65422	1.7
213.12895	1.8
216.94221	2.2
231.02870	5.4
231.06573	7.4
231.10207	2.8
231.13866	3.1
231.15944	37.2
253.38321	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	225.113
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.77218	0.5
59.01377	5.3
61.98801	0.6
69.03429	0.5
71.05004	0.6
71.63195	0.6
81.03448	0.6
83.01323	0.5
83.05025	0.8
93.03443	1.2
95.05003	0.6
97.02934	8.7
97.06582	0.8
99.00857	2.7
99.24392	0.6
109.02937	0.6
109.06602	4.8
110.03733	3.6
123.04450	0.8
125.09711	1.5
135.08139	1.7
136.05298	1.8
137.02460	1.1
137.04257	1.0
142.02713	4.6
161.09694	1.0
163.11273	10.3
165.01909	0.9
179.10721	0.7
180.04286	0.7
181.05048	0.6
181.12312	26.4
182.12634	1.5
183.10170	0.5
189.09195	0.8
195.06567	0.8
197.11777	1.4
207.10231	63.3
208.10577	3.7
210.05156	1.0
225.11287	100.0
226.11603	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	225.113
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.83718	0.5
59.01373	100.0
69.03442	0.7
69.68587	0.5
71.07503	0.9
71.07825	0.7
81.03461	0.7
96.95976	1.2
97.06580	2.7
103.25725	0.7
103.51209	0.5
107.92990	0.6
134.03758	0.8
135.08157	1.6
147.08144	3.4
163.11324	0.8
165.09152	1.9
181.12276	0.9
207.10385	0.7
225.11290	42.4
226.11572	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	226.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08551	0.3
59.01373	0.5
71.01434	0.3
71.46309	0.3
71.61941	0.5
72.20033	0.3
73.02119	0.4
86.02476	2.2
93.03529	0.4
100.79796	0.3
111.00906	0.4
112.98808	0.7
120.01243	100.0
121.01563	1.2
125.02430	0.6
139.02222	6.0
139.03926	0.4
153.01955	0.5
164.01193	0.3
172.84398	0.4
183.13789	0.5
196.81299	0.3
197.04527	0.6
209.11850	0.5
226.05502	1.8
226.07516	0.5
227.05571	0.5
227.09247	0.5
227.12909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0767
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
55.01863	1.7
56.20907	1.6
57.03428	2.8
59.01378	15.7
67.01894	4.2
68.96310	1.8
68.99812	17.1
69.03433	3.1
71.01363	5.3
72.99271	2.1
75.00863	4.3
79.05527	5.1
80.02691	2.2
81.03411	2.0
82.84260	1.5
83.05010	2.1
85.02924	2.3
87.00886	3.1
91.05530	3.3
93.03453	13.0
93.07083	5.6
95.01392	2.9
95.05007	8.0
96.96033	1.9
97.02927	3.0
97.06567	5.9
99.00874	1.7
99.04507	2.8
103.05518	4.4
105.06422	2.7
105.07095	21.8
106.04213	5.9
107.05015	10.4
108.02169	10.0
109.02937	5.9
109.06583	14.1
110.03772	2.9
112.97781	1.8
119.05014	10.8
120.05804	46.3
121.02940	15.2
121.06587	74.0
122.06891	3.1
122.39507	1.9
123.04519	4.0
123.08154	26.7
125.02438	4.7
131.05022	12.7
133.06558	6.6
134.03688	6.9
135.04472	4.3
135.07184	2.7
135.08163	38.9
136.05258	2.8
137.02461	9.6
137.06067	12.6
138.06808	3.7
139.07617	4.2
147.04498	6.7
148.05246	3.8
149.02361	3.0
149.06070	76.3
150.06427	2.7
151.04001	2.0
151.07690	13.8
153.05580	3.8
153.09229	3.2
163.04021	2.1
163.07629	7.1
163.11298	3.8
165.01881	4.9
165.05502	8.6
166.06345	45.7
175.03995	1.8
179.07175	4.1
180.04216	3.7
181.05063	5.2
181.08688	100.0
181.12248	4.2
182.08998	3.0
185.00830	1.6
187.07706	2.1
188.07872	2.3
191.05643	2.5
193.05042	13.1
195.02979	5.6
195.06494	4.9
199.09763	3.2
207.06714	3.2
207.08131	10.2
207.10216	10.4
210.05296	19.5
224.57047	4.3
225.07602	99.0
225.09286	27.1
225.11295	20.3
225.14757	2.4
226.07870	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	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05153	1.0
50.60284	1.1
53.16265	1.0
55.01875	5.7
55.53252	1.2
57.03443	15.5
58.99582	1.2
59.01089	2.2
59.01376	35.6
68.99811	2.7
70.34827	2.2
70.35220	2.7
71.01379	22.0
72.99308	16.2
73.01164	2.3
73.02929	4.0
74.99105	6.2
75.00861	6.8
78.98576	3.9
80.96497	1.3
83.01389	14.1
84.02149	3.1
85.02946	100.0
86.03248	1.7
87.00888	6.4
89.02434	1.8
96.95959	1.3
97.07453	1.3
99.00877	11.2
101.02441	12.4
103.03967	1.8
111.00879	32.9
112.98813	19.7
113.02430	3.0
115.00359	2.1
119.05018	82.5
120.05343	3.0
120.99642	6.0
125.02435	10.5
129.01930	29.3
133.05191	1.1
134.34622	1.2
135.01205	6.6
135.04549	9.6
136.99118	3.8
140.58812	1.1
143.03490	3.4
145.01407	2.1
147.02979	7.8
161.04512	3.7
163.03993	30.8
163.06154	1.6
166.04059	1.4
170.91177	1.3
181.01729	3.5
181.03389	2.0
181.05034	38.2
182.05197	1.1
187.02380	2.2
191.01976	6.0
205.03506	31.2
206.04097	1.1
221.95682	1.1
223.02757	2.2
223.04558	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1337
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.22771	0.9
50.71006	0.9
59.01380	11.9
68.27629	0.8
69.03452	5.2
70.32735	2.5
70.33141	1.8
71.05008	1.8
83.05019	1.0
85.06590	1.7
95.05038	1.2
111.08121	1.1
153.09201	1.3
163.06105	1.9
166.88919	1.0
167.10779	8.9
170.13376	0.9
177.12814	1.3
179.10738	2.6
179.14412	9.2
195.13881	26.5
196.14241	1.5
198.62820	1.0
199.15059	1.0
205.12320	21.3
223.13364	100.0
224.13751	5.6
229.90659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71620	1.0
54.83607	1.0
55.01873	5.0
57.03441	18.3
58.00576	1.6
58.53104	1.1
58.99588	3.7
59.01372	43.2
62.91120	1.1
63.96225	2.4
68.99810	2.2
70.16379	5.3
71.01377	31.7
72.99298	14.5
73.01160	4.9
73.02935	10.3
74.99094	10.7
75.00866	8.8
78.98581	5.4
79.95756	1.4
81.03456	3.6
83.01374	14.4
84.02180	1.9
85.02944	100.0
86.03278	1.7
87.00865	10.2
87.02731	4.8
89.00652	2.3
89.02443	3.3
89.96787	1.3
91.02209	3.9
93.01799	2.2
96.95985	2.4
99.00877	10.3
101.02435	24.2
103.00427	1.4
111.00122	2.4
111.00871	30.7
112.98785	15.3
113.02440	7.5
115.00355	1.9
117.01934	1.4
117.03781	5.1
117.79964	1.2
120.99646	13.2
125.02435	11.6
129.01941	31.4
135.01210	17.3
135.04854	42.0
136.99139	5.8
143.03453	5.1
145.01495	1.1
147.02960	9.7
159.02904	1.5
161.04561	7.1
162.18265	1.2
179.03523	2.5
181.01764	4.3
187.02379	1.8
191.01965	7.5
193.01384	2.3
205.03523	27.7
208.03717	2.5
223.02692	10.8
223.04553	43.6
223.06430	13.3
223.08191	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	221.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63130	0.5
59.01375	11.1
63.26482	0.5
69.65321	1.7
69.65756	1.4
71.00983	1.1
71.01375	17.7
73.02944	0.5
75.00863	1.8
80.96500	0.6
93.03451	35.6
94.03739	1.0
98.19854	1.2
101.02405	0.7
106.04246	1.7
107.05020	13.7
108.05368	0.7
114.93259	0.9
115.00351	4.5
117.03481	0.8
118.41626	0.5
119.05016	92.6
120.05367	3.2
121.06573	6.6
131.04999	2.0
133.02966	0.7
135.04512	0.8
145.74739	0.5
147.04514	2.0
149.06068	19.5
150.06367	0.9
161.04564	0.8
163.03995	100.0
164.04315	4.6
177.02000	0.5
177.05545	8.4
221.04527	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	221.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23601	0.4
59.01374	43.1
69.84132	0.9
69.84536	2.0
71.01378	16.6
73.02948	1.7
74.36726	0.5
75.00861	0.6
78.43291	0.4
80.48304	0.5
85.02936	0.8
93.03448	33.5
94.03793	0.6
97.03045	0.6
101.02414	1.2
106.04238	2.1
107.05022	13.2
111.51041	0.5
115.00363	3.3
117.03500	0.5
117.36654	0.4
119.05016	88.3
120.05360	3.2
121.06578	6.2
131.03490	0.6
131.05011	2.2
133.02946	1.3
133.06566	1.0
135.04501	1.0
147.04478	1.9
149.04861	0.9
149.06070	18.6
161.04532	4.1
163.03990	100.0
164.04347	2.7
177.02019	0.6
177.05551	10.9
206.02141	0.5
221.01096	0.6
221.04539	7.3
221.11763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0453
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
55.01871	10.8
59.01375	65.8
60.02395	0.8
71.01377	4.3
71.62454	1.2
71.62819	0.8
73.02941	3.1
75.84536	0.6
85.02934	0.8
93.03454	5.1
101.02438	2.2
107.05039	1.4
119.05011	7.0
121.06601	0.9
131.05023	9.3
133.06581	100.0
134.06931	3.0
138.70219	0.8
149.06030	2.5
159.04507	12.7
161.04503	5.1
163.04002	8.4
177.01915	1.0
177.05539	5.0
198.86777	0.8
203.03508	5.4
221.01044	1.0
221.04520	11.0
221.08156	0.9
221.11784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71620	1.0
54.83607	1.0
55.01873	5.0
57.03441	18.3
58.00576	1.6
58.53104	1.1
58.99588	3.7
59.01372	43.2
62.91120	1.1
63.96225	2.4
68.99810	2.2
70.16379	5.3
71.01377	31.7
72.99298	14.5
73.01160	4.9
73.02935	10.3
74.99094	10.7
75.00866	8.8
78.98581	5.4
79.95756	1.4
81.03456	3.6
83.01374	14.4
84.02180	1.9
85.02944	100.0
86.03278	1.7
87.00865	10.2
87.02731	4.8
89.00652	2.3
89.02443	3.3
89.96787	1.3
91.02209	3.9
93.01799	2.2
96.95985	2.4
99.00877	10.3
101.02435	24.2
103.00427	1.4
111.00122	2.4
111.00871	30.7
112.98785	15.3
113.02440	7.5
115.00355	1.9
117.01934	1.4
117.03781	5.1
117.79964	1.2
120.99646	13.2
125.02435	11.6
129.01941	31.4
135.01210	17.3
135.04854	42.0
136.99139	5.8
143.03453	5.1
145.01495	1.1
147.02960	9.7
159.02904	1.5
161.04561	7.1
162.18265	1.2
179.03523	2.5
181.01764	4.3
187.02379	1.8
191.01965	7.5
193.01384	2.3
205.03523	27.7
208.03717	2.5
223.02692	10.8
223.04553	43.6
223.06430	13.3
223.08191	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	217.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	57.6
62.62638	0.9
63.37357	0.9
71.62630	1.4
73.02945	3.4
79.95760	1.1
85.02923	2.1
85.06576	14.0
92.29649	1.0
97.06613	1.1
99.36947	0.8
113.06069	20.9
125.06076	2.3
127.04063	1.6
129.05534	1.0
131.07127	100.0
132.07491	3.0
138.01971	6.5
143.07118	11.8
155.10768	3.3
157.08661	1.9
173.05975	1.1
173.08183	6.8
175.04031	1.2
175.09734	2.3
181.44977	0.9
202.08197	0.9
217.01547	1.5
217.05003	2.2
217.08592	2.3
217.10797	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	217.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01374	48.2
62.54614	0.4
69.41659	3.7
73.70313	0.5
96.00809	0.4
96.96004	10.8
99.08142	1.9
101.22084	0.4
109.06555	0.7
111.08160	1.2
115.64366	0.5
127.07616	1.0
129.09209	16.9
130.09560	0.8
147.94876	0.5
157.08682	12.2
174.99261	0.7
175.09737	100.0
176.10059	3.6
187.14084	0.4
217.01924	0.8
217.05049	1.2
217.10780	4.5
220.87457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.9761
Annotation	4-Nitrophenyl sulfate
Peak:m/z	Relative Intensity
59.01371	0.4
69.10992	0.2
69.26120	2.1
69.26411	0.2
81.63419	0.2
82.62839	0.2
98.19861	0.3
108.02160	6.1
109.02476	0.2
132.07500	0.4
138.01953	100.0
139.02316	2.2
184.74045	0.2
211.99449	0.2
217.97601	8.2
218.98030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1031
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01369	2.3
60.61189	0.4
64.12447	0.4
69.64835	1.7
69.65249	0.7
71.01376	9.5
71.04616	1.0
71.05009	15.1
74.44994	0.4
81.95034	0.4
87.54939	0.4
88.04033	100.0
89.04377	1.4
99.04494	6.0
116.07169	3.0
129.05579	0.7
146.08215	44.2
147.08539	1.1
193.36327	0.4
204.71951	0.6
218.10291	29.8
219.10625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0382
Annotation	Bauerine A
Peak:m/z	Relative Intensity
52.61769	0.2
54.91207	0.2
62.83263	0.2
63.96243	0.4
71.06593	0.6
75.90350	0.2
76.97030	0.4
79.95725	2.1
95.95216	1.1
96.96006	100.0
97.10065	0.2
122.18356	0.3
133.06554	0.3
163.91223	0.2
215.00987	1.7
215.03821	55.2
216.04163	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	215.0922
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
59.01375	43.3
65.03956	0.7
69.03440	1.1
71.01405	0.7
71.31535	1.1
72.99296	4.1
73.02966	0.6
83.05021	4.2
84.02178	0.6
85.02950	1.9
93.03461	0.9
93.07093	2.9
95.05006	1.5
97.01158	0.7
97.06571	1.8
109.05863	0.9
109.06587	13.7
111.04508	9.1
117.07083	0.7
125.09752	0.8
127.07643	4.5
135.04515	1.3
137.06049	5.0
144.00896	1.2
144.25797	0.5
153.09215	0.7
155.07132	12.0
158.11829	0.5
165.02029	0.5
173.08168	100.0
174.08537	3.8
179.07077	0.8
195.42531	0.5
197.08194	0.7
215.00995	10.8
215.03366	0.9
215.05515	1.0
215.07286	0.7
215.09186	11.4
215.12697	0.9
216.01494	0.6
234.99753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18047	0.2
57.03436	0.2
59.01368	2.6
60.42734	0.2
63.52319	0.2
63.84609	0.2
69.91138	0.8
79.95737	0.6
96.95998	100.0
97.95928	0.3
98.19956	0.3
99.08119	0.2
101.36310	0.2
107.05012	2.2
114.29494	0.2
119.05009	2.3
129.09177	1.0
137.06081	2.0
157.08629	0.9
175.09729	4.7
193.99268	0.2
217.01718	15.7
217.10747	0.2
218.02164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.2
61.11468	0.4
69.05629	0.4
69.36246	3.5
85.06583	3.8
108.02168	6.1
113.06072	2.6
115.26710	0.4
131.07130	26.0
132.07483	0.6
138.01959	100.0
170.63077	0.4
173.08159	1.3
176.02568	0.3
197.57698	0.4
203.44598	0.3
205.08080	0.4
217.01572	0.6
217.05005	0.7
217.14433	0.4
217.97601	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	211.0763
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
57.03428	0.3
59.01341	0.6
61.98812	0.7
65.00335	0.2
69.31337	1.0
69.31773	1.1
85.02950	0.3
93.03452	1.8
95.01385	0.3
95.05027	0.5
99.33395	0.2
117.03462	0.4
123.00854	0.4
123.04522	1.1
134.91931	0.2
151.06091	1.5
153.05489	0.3
164.98271	0.3
167.05064	0.4
167.08658	0.4
167.10715	0.4
169.06543	0.8
182.07314	0.6
183.08174	1.2
183.13867	3.2
193.06563	0.4
193.12291	0.8
196.05408	0.3
208.05232	0.3
209.06001	1.5
210.06828	28.8
211.07608	100.0
211.13319	22.3
212.07922	6.9
212.13721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1337
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01352	0.3
65.14665	0.2
69.03442	1.0
69.98104	1.3
83.05044	0.4
89.56287	0.2
90.85241	0.2
147.25609	0.3
151.06088	0.3
155.10750	0.3
165.12790	0.5
167.10738	0.6
167.14372	1.0
181.12253	0.4
183.13876	14.1
184.14206	0.9
193.12300	4.3
211.13367	100.0
212.13693	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	213.113
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
56.38172	0.6
57.03438	0.7
59.01379	1.4
85.02937	0.5
93.21968	0.6
95.01312	0.6
95.57471	0.7
97.02947	2.3
97.06590	1.2
113.84155	0.6
151.11272	13.0
152.11615	0.8
168.98903	3.8
169.12320	100.0
170.12648	3.7
176.98341	0.8
183.13965	1.0
194.99316	1.1
195.10318	0.9
195.13792	1.6
197.99150	1.9
213.01698	1.1
213.05582	0.8
213.11302	24.7
213.14799	6.6
213.18568	1.2
214.11635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1494
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
58.14278	0.2
59.01361	0.6
66.31432	0.2
70.54071	0.7
71.05022	0.2
93.24269	0.2
97.02953	0.8
110.87519	0.3
121.47643	0.2
125.09673	0.2
137.09726	0.4
152.61713	0.2
164.52892	0.2
165.12799	0.3
167.14407	0.4
168.98962	1.4
169.12289	0.7
170.75282	0.2
177.12836	0.4
183.13878	25.2
184.14221	1.1
195.13887	21.0
196.14233	1.0
197.99142	0.5
211.13438	0.6
213.14938	100.0
214.15298	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	211.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12414	0.5
59.01363	2.1
61.98817	1.9
65.03960	0.6
65.99848	2.3
66.03455	0.5
69.03426	0.5
69.04935	0.5
69.30909	4.4
71.01355	1.4
85.02888	0.5
89.01423	0.5
90.03478	1.3
92.05042	3.4
93.03453	0.7
95.01382	1.4
96.77153	0.4
98.19843	1.0
105.03477	0.6
108.04532	1.9
109.02936	1.5
118.02952	1.2
120.04513	0.5
121.02962	0.9
122.03695	0.6
123.00874	1.0
123.04535	3.5
125.02376	0.5
134.02448	2.2
135.04480	0.6
136.04002	1.4
137.02399	1.0
138.45930	0.4
146.02451	0.9
147.03226	1.8
148.01651	0.8
151.03983	1.9
151.06111	3.1
152.03526	1.1
153.05579	0.8
164.03535	5.3
164.98415	0.9
166.91106	0.7
167.10774	1.1
167.14391	0.8
181.03746	1.2
182.03250	0.6
183.13885	5.0
193.02483	1.7
193.12292	1.2
194.03293	2.3
196.03743	1.1
211.03574	100.0
211.13365	45.7
212.03931	3.2
212.13713	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38260	0.6
59.01366	2.8
61.98825	5.1
64.01917	1.1
65.88736	0.6
67.01885	0.8
68.99812	0.7
71.01357	1.7
71.46433	0.6
77.03956	0.7
79.05506	0.7
80.38869	0.6
81.03461	1.1
85.02939	0.8
89.02444	0.7
93.03446	1.0
95.01373	2.8
97.06579	0.8
98.19871	2.2
101.02393	1.1
121.02930	1.4
123.00904	1.1
123.04525	4.1
125.04328	0.7
129.01947	0.8
134.02541	0.7
134.03712	2.2
136.03052	0.6
136.04033	2.9
137.02411	1.3
138.01939	1.0
139.00366	1.0
151.04033	4.8
151.06082	4.4
151.11208	0.8
152.91660	0.7
163.03867	0.8
164.03513	12.4
164.98222	1.4
166.01465	0.8
166.91057	1.7
167.10715	0.8
167.14372	2.3
168.43336	0.6
171.10332	0.8
180.03004	12.3
181.01393	1.3
181.03806	3.5
181.05125	1.0
183.13872	3.8
193.12306	1.2
194.03288	8.6
196.01166	1.6
196.03735	1.6
210.91328	1.2
211.03577	100.0
211.13361	55.7
212.03879	2.0
212.13699	2.3
213.02724	0.9
228.00150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01341	0.6
61.98812	0.7
65.00335	0.2
69.31337	1.0
69.31773	1.1
85.02950	0.3
93.03452	1.8
95.01385	0.3
95.05027	0.5
99.33395	0.2
117.03462	0.4
123.00854	0.4
123.04522	1.1
134.91931	0.2
151.06091	1.5
153.05489	0.3
164.98271	0.3
167.05064	0.4
167.08658	0.4
167.10715	0.4
169.06543	0.8
182.07314	0.6
183.08174	1.2
183.13867	3.2
193.06563	0.4
193.12291	0.8
196.05408	0.3
208.05232	0.3
209.06001	1.5
210.06828	28.8
211.07608	100.0
211.13319	22.3
212.07922	6.9
212.13721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.028
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62033	0.8
70.62363	0.3
79.95739	1.3
80.96512	0.5
85.06582	7.7
87.08148	0.5
96.96001	100.0
97.95934	0.5
121.02998	0.5
122.97546	0.5
123.04519	0.5
131.07124	32.1
132.07492	0.7
149.32147	0.3
152.01102	0.5
159.21176	0.3
167.03430	0.4
181.01427	0.7
193.04964	0.4
196.03738	0.5
208.36517	0.3
211.02786	62.4
211.13339	1.2
212.03087	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	209.118
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
58.02890	0.3
59.01371	2.2
60.72465	0.3
61.98821	11.9
71.17233	0.6
80.91653	0.6
81.03436	0.4
83.01415	0.5
83.05051	0.6
91.01899	0.7
92.99812	1.0
93.03449	0.8
94.02973	0.6
95.01392	0.7
96.95977	1.8
118.94164	2.6
120.02191	0.6
121.02942	45.4
121.69527	0.4
122.03281	1.4
124.04031	2.1
133.12027	0.3
135.04480	0.8
136.01601	0.7
136.05434	0.4
136.98770	0.5
137.02373	0.6
137.06062	0.5
148.93286	0.5
149.02397	0.4
153.09045	0.4
161.02457	0.6
163.11232	0.5
164.94061	0.5
165.01836	0.4
165.12726	0.5
166.94267	0.7
179.03514	1.1
181.05128	0.6
181.12473	0.5
191.10754	0.8
194.02051	0.5
194.05827	1.2
209.04532	8.0
209.11797	100.0
209.15346	5.2
209.94853	4.2
210.04797	0.5
210.12143	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	209.118
Annotation	Pulchellon
Peak:m/z	Relative Intensity
52.21352	0.6
55.01881	0.8
56.79066	0.6
57.03446	3.9
58.00577	0.7
58.31548	0.6
59.01373	4.5
61.98825	33.2
65.00306	1.1
68.99813	1.0
69.03448	2.2
70.24771	2.5
71.01375	16.9
71.05003	1.3
72.99320	0.6
73.02928	1.3
80.02681	1.3
81.03439	3.1
83.01380	4.8
83.05017	4.0
84.02180	2.2
85.02933	0.9
91.01894	1.0
92.99828	4.0
93.03449	2.8
94.03006	1.4
95.05016	3.7
96.95999	2.7
97.02963	1.1
97.06581	4.3
106.04228	0.6
107.05015	1.4
108.02190	1.5
109.02983	0.9
109.06562	1.0
111.08134	2.8
112.01653	1.0
118.94186	2.9
118.96210	0.6
119.56184	0.7
120.02164	1.6
121.02946	81.9
122.03301	2.8
123.04516	0.9
123.08169	2.5
123.16135	0.6
124.04039	4.6
125.09709	10.5
133.06595	0.8
134.03687	1.1
135.04510	1.5
135.08134	1.6
136.01633	1.2
136.98801	1.5
137.02489	1.0
137.06062	1.2
137.09743	0.9
145.10190	2.2
147.08202	0.6
147.11736	3.5
148.12303	0.7
148.93260	0.8
149.02440	0.9
149.09698	1.1
151.07704	1.0
151.10060	1.2
151.11269	22.4
152.11668	1.2
153.09161	1.0
153.12883	3.1
156.97424	0.6
161.02361	0.9
161.09711	0.7
163.11278	8.2
164.98283	1.5
165.01808	0.8
165.05515	1.0
165.09132	1.6
165.12833	19.6
166.13193	1.0
166.94249	1.0
167.10735	0.9
172.88103	0.8
173.09694	2.3
179.03488	1.8
179.10754	5.2
181.05054	0.9
181.12318	44.9
182.12663	2.2
191.10757	16.3
192.11163	0.8
194.02182	1.2
194.05856	1.5
207.10262	0.8
209.00975	0.9
209.04532	13.6
209.08218	3.1
209.11807	100.0
209.94876	12.9
210.04909	0.9
210.12129	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.082
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.31256	0.7
55.68290	0.7
58.02972	33.9
58.31329	0.7
65.27195	0.7
69.70880	1.4
69.71297	3.0
70.02967	13.0
72.00903	4.9
91.05524	12.7
92.12204	0.7
94.41269	0.7
98.20567	1.6
103.05543	0.8
135.04488	0.8
140.46167	0.8
141.31332	0.8
147.04507	32.9
148.04852	2.1
162.09230	0.9
164.07149	100.0
165.07495	2.6
198.06552	1.0
206.08209	40.4
207.08484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.03
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68520	0.7
53.84657	0.6
54.95537	0.6
55.01873	2.9
57.03443	22.9
58.00598	1.0
58.99601	10.0
59.01374	21.0
59.02657	0.7
68.99809	2.2
69.82262	2.7
69.82674	1.2
71.01377	30.0
72.99299	7.3
73.01169	2.0
73.02951	2.0
74.99094	9.3
75.00867	11.1
77.00652	4.4
79.95711	0.6
80.96503	1.3
83.01373	5.3
84.02140	4.2
85.02943	100.0
86.00105	0.7
86.03264	1.4
87.00867	32.3
89.02445	8.2
93.03460	1.8
96.95997	2.5
97.02962	1.3
98.19875	0.9
99.00874	8.3
100.98814	2.5
101.02441	2.9
102.80862	0.7
102.98584	2.2
103.00374	1.5
103.02206	1.2
111.00882	8.4
112.98795	16.2
115.00367	2.2
118.99845	2.8
119.04993	0.8
120.97665	2.5
120.99650	6.0
121.03032	6.8
121.06599	0.7
124.00725	2.5
124.98796	3.5
129.01936	26.7
133.01421	7.6
136.99115	5.9
137.02393	0.9
140.14384	0.7
140.98267	1.0
141.01926	2.5
142.99846	71.7
144.00145	1.8
145.01367	1.4
147.02963	6.4
159.02974	4.5
165.01909	2.3
165.04066	3.7
165.05365	1.4
166.05042	1.1
173.00888	20.1
176.04861	0.9
188.43425	0.7
191.00195	1.6
191.01930	16.2
208.98665	2.0
209.01149	2.0
209.02966	20.8
209.04874	2.8
209.06609	43.6
209.11685	1.4
210.07079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
57.03448	3.2
59.01374	11.4
61.77881	0.6
61.98824	5.9
69.03096	1.2
69.03452	17.0
69.48060	5.5
71.01368	1.9
71.05010	2.1
73.02930	1.2
75.32510	0.7
81.03450	1.1
83.01373	0.8
83.05033	3.7
85.02989	0.8
91.01856	0.7
92.99814	1.1
93.03451	3.8
94.02941	1.1
95.01372	0.9
95.05012	2.1
96.95999	21.8
97.02948	0.9
97.06545	0.8
98.20596	1.3
107.04965	0.6
108.05811	1.3
108.56574	0.7
109.02927	1.1
109.06622	1.4
111.08140	3.2
118.94189	1.4
120.02185	1.9
121.02946	77.6
121.10196	1.3
122.03210	3.3
123.00900	0.8
123.04440	0.9
124.04030	3.4
135.04497	1.5
135.08118	1.4
137.02437	1.4
137.06015	1.4
139.03944	0.7
139.07610	1.0
147.11778	1.8
150.03015	0.7
151.04027	0.9
153.09227	5.5
161.02461	1.1
163.11266	2.5
164.98303	1.0
165.01945	1.0
165.05530	1.1
165.09164	2.7
165.12831	16.6
166.13239	0.8
176.04715	1.0
179.03497	4.4
181.12323	16.7
182.12729	0.9
191.10757	20.1
192.11159	1.5
194.02110	1.4
194.05815	2.7
200.29163	0.8
209.04538	14.2
209.08730	15.7
209.11794	100.0
209.94917	1.7
210.04794	1.0
210.12187	4.1
212.30476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64159	0.6
55.46653	0.6
58.02969	43.9
59.01366	1.6
69.30919	3.9
69.31334	2.4
70.02603	0.9
70.02969	13.4
72.00901	5.0
91.05528	12.5
103.05513	1.5
123.37570	0.7
123.66329	0.7
147.04507	36.0
148.04849	2.3
162.09222	0.8
164.07140	100.0
165.07443	2.6
176.10056	0.7
192.04198	0.7
206.08191	44.0
207.08508	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1594
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
51.66589	0.2
55.10636	0.2
59.01363	1.3
61.72904	0.2
61.98812	0.4
63.48388	0.2
70.66567	0.3
70.66898	0.4
71.01379	0.3
72.99308	0.4
75.09935	0.2
87.00860	0.2
99.00880	0.3
103.56938	0.2
115.00346	0.4
130.95441	0.2
130.96408	0.2
161.06110	0.2
189.12814	1.5
205.15941	100.0
206.16272	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	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72626	0.2
59.01372	11.7
60.01707	4.7
60.02022	0.2
61.01803	1.3
61.98824	100.0
62.98549	0.3
69.25634	1.3
71.01369	0.2
72.99300	0.2
115.00397	0.2
143.86519	0.4
156.12535	0.1
159.03328	0.2
160.03699	0.5
161.01302	0.2
162.01567	0.3
203.98366	0.2
204.00064	1.1
204.02650	2.6
204.10005	0.2
205.02742	0.3
205.16016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.9
57.03441	9.8
59.01087	5.9
59.01374	95.6
59.01670	5.0
67.01881	4.5
68.99812	12.6
69.39162	2.9
69.77788	12.8
71.01376	95.3
71.05011	7.8
72.99305	60.8
73.02927	17.2
75.00864	38.4
77.11023	3.3
79.95753	6.6
81.03442	14.8
83.01378	21.3
84.50110	2.9
85.02938	19.7
87.00866	45.1
89.02447	9.9
95.95222	11.7
96.95996	20.9
96.99298	4.5
98.19897	3.1
99.00871	57.6
99.04497	14.8
100.98802	7.1
101.02437	29.5
103.00362	5.3
111.00872	40.8
112.98804	73.4
115.00356	97.8
115.03999	10.3
117.01948	16.5
124.01662	7.0
124.98792	9.7
125.02438	100.0
127.00340	11.0
129.01923	20.4
133.01440	3.8
142.99841	26.8
143.03485	13.2
145.01440	40.9
145.05107	6.5
149.99622	5.5
154.99838	14.3
159.03111	2.9
168.00620	17.6
169.01289	3.5
173.00908	9.7
175.02460	8.0
187.02481	19.3
196.00281	3.9
205.00749	14.0
205.03526	53.4
205.07291	4.7
205.09108	4.7
205.51027	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	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.5
55.08975	2.8
57.03440	9.1
57.89336	3.0
59.01376	63.0
67.01919	2.9
68.99802	7.6
69.74355	13.1
71.01379	56.4
72.99300	35.1
73.02946	10.9
75.00867	24.0
77.36297	2.4
83.01400	15.6
85.02962	6.8
87.00874	20.9
89.02440	12.7
96.99298	4.1
99.00880	50.1
100.98863	2.6
101.02438	4.4
103.00387	4.2
111.00867	25.1
112.98797	100.0
115.00362	53.7
117.01939	8.5
123.05377	2.7
124.98830	7.1
125.02444	5.7
127.00343	6.3
129.01921	17.0
133.01425	3.7
142.99852	14.7
145.01389	18.1
154.99861	8.4
157.01256	3.4
165.86221	2.8
168.00496	3.3
173.00923	10.0
175.02516	6.0
205.03500	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	205.0867
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.67581	0.2
59.01382	1.4
59.01634	0.2
62.06088	0.2
62.72079	0.2
69.52409	1.5
71.01377	0.8
72.99307	0.4
85.02909	0.4
87.00869	0.5
99.00877	0.7
103.00372	0.2
115.00367	1.1
119.05031	0.3
121.02947	0.9
122.03728	7.2
124.01653	0.5
133.02937	0.3
133.06523	0.3
134.03801	0.3
135.04524	0.4
136.65735	0.2
137.02440	0.9
146.03709	0.3
147.04515	8.4
148.05214	1.0
149.06056	0.8
154.02675	0.8
161.02440	0.5
161.06044	1.0
162.06866	0.5
162.46954	0.2
175.03981	22.6
176.04759	100.0
177.05087	4.1
177.09192	1.3
182.24741	0.2
187.07663	0.8
205.08667	38.6
205.15904	1.3
206.09064	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	203.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01713	1.0
71.62836	0.6
71.76469	0.3
72.99316	0.3
73.01152	0.4
81.03427	0.3
83.05009	0.6
92.29904	0.3
97.06575	0.7
99.04483	0.3
99.08148	6.7
111.69270	0.3
113.02612	0.3
116.67833	0.3
125.06062	0.8
130.55699	0.3
141.09250	0.6
143.07118	6.5
161.08182	1.5
164.02800	0.3
173.33441	0.3
185.08189	0.3
203.03554	0.6
203.09218	0.9
203.12903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1076
Annotation	3-PRENYL-4-HYDROXYACETOPHENONE
Peak:m/z	Relative Intensity
51.16803	0.3
57.03453	0.4
58.79021	0.4
59.01374	14.4
61.98824	3.3
71.01389	1.1
71.04987	0.3
71.62982	0.4
73.02937	0.4
85.02955	0.4
91.05526	4.9
94.99252	0.4
97.02902	0.4
99.00847	0.4
101.03947	0.5
101.06071	5.6
103.92009	1.7
104.97732	3.0
113.02425	0.5
117.03458	19.6
118.03790	0.6
119.05032	2.6
121.02942	0.5
130.04224	0.4
130.94379	0.4
131.05061	0.8
135.04509	0.6
143.07222	0.3
146.03737	0.8
148.95488	0.4
153.43277	0.4
159.04488	0.6
160.05312	0.4
160.89262	0.6
174.99196	0.4
175.03905	0.4
175.07555	0.4
175.11296	3.1
188.04692	0.5
202.94191	2.2
203.03477	1.3
203.10757	100.0
204.06757	0.5
204.11096	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	197.118
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.22935	0.5
59.01367	1.6
69.03450	1.4
69.30619	4.9
71.01380	1.5
73.02936	0.6
75.98914	0.5
83.04982	0.7
121.02965	0.5
123.00890	1.5
135.11768	0.5
138.03253	0.8
141.09190	0.8
145.01472	0.5
147.36349	0.6
151.11223	0.8
153.05513	0.7
153.09198	1.6
153.12843	4.3
166.99854	1.5
167.10646	0.6
169.12314	15.5
179.10715	1.4
182.02159	4.2
197.04497	1.8
197.11801	100.0
198.12172	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	201.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01374	59.2
60.01701	0.5
63.25942	0.5
69.03443	1.4
71.01366	1.3
71.61233	0.9
72.99258	0.8
81.03452	2.3
82.99598	7.2
83.05016	6.1
85.02947	4.5
86.30990	0.5
95.05020	10.7
97.02940	8.7
97.06590	1.7
99.00844	0.5
103.92007	1.5
111.00864	0.7
111.04502	3.1
113.00639	1.0
113.06075	9.8
123.00956	0.4
123.04512	1.0
125.02436	1.7
126.98600	1.1
128.07172	0.5
138.98567	0.5
139.00470	0.5
139.03992	2.4
141.05562	15.6
146.97552	0.5
156.06686	0.7
156.99626	1.7
157.05090	1.1
159.06609	100.0
159.73822	0.5
160.06967	2.8
200.98590	1.5
201.03964	1.6
201.07619	5.3
201.11307	1.0
202.07265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0825
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01373	22.8
61.98811	1.4
69.63903	4.1
71.01382	2.6
71.04999	0.7
72.00903	25.1
72.99309	2.0
73.02940	2.8
74.02467	33.4
75.00885	1.6
85.02946	1.5
87.04513	2.1
96.96004	1.3
97.06565	1.5
98.20585	1.4
99.08153	1.0
103.92022	1.6
104.97715	1.0
112.98804	0.6
113.02434	1.4
115.07650	2.3
116.05051	100.0
117.05396	3.1
121.02896	1.0
124.05286	1.0
129.99442	0.7
130.06606	2.3
131.08652	1.3
142.06604	26.0
143.07111	10.1
148.95360	0.8
149.09735	4.6
154.07077	0.6
157.07686	0.8
159.09258	21.9
160.04044	2.4
160.09630	0.7
161.04796	1.2
161.08185	16.9
165.09164	1.5
167.10805	2.3
169.08734	0.8
185.11781	5.3
186.05574	4.5
199.76633	0.8
203.08234	77.6
203.12784	11.9
204.08556	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	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31444	0.3
59.01376	100.0
60.01704	0.9
63.11284	0.3
69.56911	2.2
76.12885	0.3
82.05292	0.3
83.05054	0.4
99.08148	6.4
125.06085	0.7
126.33021	0.3
143.07117	4.4
161.08224	0.9
192.58757	0.4
193.34860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78817	0.5
59.01375	43.5
71.01378	4.4
71.05017	2.3
71.24160	1.3
71.24506	0.7
71.34926	0.5
72.99303	20.9
73.02945	9.2
75.00867	10.4
97.06580	1.1
99.08136	7.8
105.59952	0.5
113.06052	0.8
115.07638	1.1
117.05566	2.2
131.05060	0.6
131.47838	0.5
141.09206	1.8
143.07123	62.4
144.07451	1.9
147.04445	0.5
148.95374	0.6
159.04501	0.8
161.08176	100.0
162.08539	3.0
175.07613	0.8
185.08238	0.8
203.03548	2.0
203.07121	3.4
203.09222	6.3
203.11029	1.6
203.12801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0508
Annotation	L-Gulonate
Peak:m/z	Relative Intensity
51.12905	1.0
56.05864	0.9
57.03432	3.9
58.99571	1.2
59.01088	2.1
59.01371	32.2
60.99262	1.1
68.27025	1.2
70.80367	1.1
70.80702	2.6
71.01379	14.3
72.99312	9.3
73.02954	1.9
74.99094	1.1
75.00865	24.5
80.96501	3.4
83.01368	4.1
85.02940	5.5
86.62582	1.2
87.00866	82.6
87.90488	1.1
87.91086	1.1
89.02437	12.9
97.02942	1.1
99.00859	5.6
101.02410	3.4
105.01924	100.0
107.01701	3.1
107.05007	1.2
108.02142	1.4
111.00888	5.0
117.01904	1.1
117.26874	1.0
123.04502	2.6
129.01929	41.4
135.06596	2.7
138.43967	1.1
143.90045	1.2
147.02980	38.6
151.03983	1.2
165.03999	2.8
175.30754	1.3
177.04015	34.4
178.04329	1.2
195.03384	3.4
195.05063	78.6
196.05461	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	197.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75645	0.2
54.95729	0.2
55.03380	0.2
55.74165	0.2
59.01379	0.8
71.01362	0.5
71.62928	0.2
90.98582	100.0
91.98961	0.8
93.03416	0.2
95.01402	0.3
97.02950	1.0
103.01650	0.2
105.77576	0.2
107.05029	0.2
109.02972	0.3
109.06586	0.2
121.02932	0.5
123.00873	0.6
137.02446	0.4
137.06073	0.3
153.01859	0.3
153.09306	0.2
155.07135	1.1
165.01918	1.4
166.99731	0.2
182.02119	1.1
197.02730	0.7
197.04530	0.6
197.06352	0.2
197.08159	0.3
197.11806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03439	0.7
59.01371	3.8
59.58413	0.1
60.99298	0.1
61.56477	0.1
67.01880	1.0
69.03455	0.6
70.80322	0.3
70.80656	0.2
71.01374	1.7
72.99299	0.3
73.02924	0.9
74.54812	0.1
74.74798	0.1
76.30901	0.1
81.03447	0.9
83.05025	1.0
85.02943	22.0
86.03277	0.3
87.00867	4.7
87.07507	0.2
90.54399	0.1
93.03446	5.5
94.03751	0.2
95.01371	0.2
99.04504	0.8
101.02435	0.2
103.22501	0.2
108.02095	0.2
109.02957	1.7
111.00876	1.9
111.04508	2.0
125.02440	0.2
127.04005	4.4
129.01979	0.3
137.02461	0.3
143.03456	0.2
155.03537	0.4
171.02965	1.1
173.04547	2.0
176.01131	0.3
178.40916	0.2
191.05588	100.0
192.05977	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	193.014
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
51.17118	0.1
53.73055	0.1
59.01363	0.8
60.92469	0.1
65.00333	0.4
65.03959	0.3
67.01891	0.5
69.73218	0.7
71.01389	0.6
73.02952	0.5
81.03481	0.4
83.01453	0.1
85.02955	0.4
87.00893	0.2
91.01880	0.2
93.03451	2.7
95.01393	0.2
97.02980	0.3
99.00858	0.3
101.02450	0.6
105.03491	0.2
107.01394	0.1
108.02192	0.3
109.02943	7.9
109.06535	0.2
111.00868	0.1
119.01365	0.8
121.02943	7.2
121.06603	0.4
123.00913	0.3
123.04501	0.4
125.02472	0.2
131.01329	0.2
133.02972	0.6
134.03729	3.9
136.01671	0.2
137.02434	19.6
138.02780	0.5
138.32350	0.1
139.04008	0.2
147.00856	1.7
149.02435	0.6
149.06070	1.0
149.09723	0.7
149.10773	0.2
150.03221	0.2
151.03972	0.2
151.41208	0.1
155.03505	0.3
155.75652	0.1
159.91971	0.1
161.04495	0.6
165.01910	14.9
165.05559	0.4
166.02252	0.4
175.00348	3.2
176.42760	0.1
178.02713	3.5
192.00566	0.3
193.01395	100.0
194.01724	3.6
204.20775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98833	3.5
63.18896	0.5
71.01375	1.5
71.60081	0.8
73.02940	2.5
73.73742	0.5
81.03458	1.1
85.02949	4.4
89.02438	0.8
96.96002	14.0
101.02428	1.2
103.04015	1.5
110.93447	0.6
111.71758	0.5
116.80798	0.5
117.05540	1.2
118.19947	0.5
121.02955	0.8
135.06622	19.6
150.03249	2.2
152.91748	20.5
152.94502	2.2
160.84186	25.1
160.85513	1.2
165.01854	0.7
165.05597	1.8
167.90448	7.7
180.04266	2.5
194.92790	12.1
194.95584	1.6
195.06532	2.6
195.81056	10.3
212.93898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0348
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.92891	0.2
57.03440	0.5
59.01375	5.8
69.66359	0.7
69.66774	0.7
71.01369	0.6
72.99298	0.2
73.02950	0.6
77.04015	0.2
80.07802	0.2
83.01381	0.3
85.02944	3.0
87.00861	2.0
93.03432	0.4
97.33934	0.2
101.02454	0.3
104.02680	0.4
111.00880	4.7
118.41186	0.2
119.05015	1.6
121.02945	100.0
122.03284	2.4
129.01898	0.6
131.03503	0.7
138.18762	0.2
147.04506	6.3
148.01701	0.2
150.49484	0.2
163.04001	0.7
164.00197	0.2
176.01152	1.7
182.87001	0.2
191.01991	0.5
191.03493	9.2
191.05588	5.8
191.07214	0.3
192.03874	0.3
198.95447	0.2
199.60304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
50.83376	0.2
54.67422	0.2
55.01868	0.5
57.03444	3.9
59.01372	4.6
67.01891	1.5
68.99801	0.3
69.03442	0.5
71.01372	2.8
71.45187	0.3
72.99289	0.8
73.02941	0.8
76.96481	0.5
78.95889	0.3
81.03451	1.0
83.01385	0.5
83.05038	1.0
84.02164	0.4
85.02943	35.0
86.03282	0.4
87.00865	14.6
92.95979	1.1
93.03448	7.4
99.00880	0.8
99.04507	1.0
101.02462	0.3
101.59839	0.2
103.00364	0.2
108.02164	0.3
108.65910	0.2
109.02945	1.7
111.00871	15.6
111.04504	2.0
112.01240	0.3
113.02419	0.2
117.01880	0.2
127.03999	4.3
129.01939	1.8
130.99794	0.2
137.02423	0.6
147.02995	0.5
148.94968	3.5
149.63399	0.2
149.94994	0.2
154.90524	0.3
154.91612	0.4
154.99884	0.2
155.03514	0.2
171.02934	1.1
173.00891	0.4
173.04515	1.9
191.01962	3.6
191.05598	100.0
192.05936	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	189.0919
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
51.05245	0.4
59.01369	0.5
66.26334	0.4
71.04980	0.5
73.71114	0.4
87.04501	6.3
91.05521	8.5
101.03957	1.0
117.03452	21.2
118.03782	0.5
119.05045	2.5
130.70665	0.4
135.04523	0.7
143.86504	1.4
146.02524	0.6
146.03691	1.0
154.88649	0.4
161.09703	3.6
171.08171	0.8
189.09183	100.0
190.09496	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	189.113
Annotation	CHEBI:79257
Peak:m/z	Relative Intensity
59.01373	100.0
60.01714	0.9
70.74599	0.8
70.74947	0.3
73.02958	0.8
79.83797	0.3
99.04525	0.4
99.08162	0.4
125.99840	0.3
129.05522	0.6
129.09222	2.7
133.06557	1.3
133.37144	0.4
145.06578	0.5
147.06657	0.4
161.06053	1.2
171.10240	0.6
174.47476	0.3
189.05571	1.3
189.11298	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	191.0195
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
55.01879	1.1
55.07449	0.5
57.03444	11.1
59.01373	6.6
66.38724	0.4
67.01882	4.0
69.65172	3.1
71.01376	5.3
72.99313	1.1
73.02942	1.3
78.92844	0.5
83.01381	1.7
83.05034	0.7
84.02156	0.6
84.06680	0.6
84.99210	0.4
85.02946	62.4
86.03271	1.0
87.00870	55.4
88.01192	0.7
93.03447	4.6
99.00869	2.1
99.04517	0.8
101.02460	1.1
103.00340	0.6
109.02957	1.7
111.00874	100.0
111.04472	1.0
112.01208	2.4
112.44696	0.5
116.88400	0.5
127.03993	2.4
129.01933	12.2
130.99828	0.9
147.02969	1.5
148.94963	0.5
154.99831	0.9
171.02933	0.7
173.00888	2.3
173.04489	1.3
191.01978	16.3
191.05592	69.4
192.05922	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0195
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
55.74959	0.4
57.03446	8.2
59.01368	3.7
61.41068	0.5
62.15614	0.5
66.14063	0.4
67.01885	3.4
69.87067	2.3
71.01378	2.6
72.99285	0.7
73.02967	0.6
82.03432	0.5
82.98592	0.5
83.03608	0.4
85.02944	36.6
86.03270	0.8
87.00867	50.3
93.03443	1.7
99.00883	0.9
101.02459	1.2
109.99885	0.5
111.00870	100.0
112.01186	1.9
112.98827	2.4
127.04012	1.5
129.01938	6.0
130.99875	0.5
143.58571	0.5
154.99837	0.6
173.00885	2.1
173.04556	0.6
191.01973	12.6
191.05585	31.9
192.05972	0.6
196.03244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03445	9.4
59.01086	1.1
59.01372	15.7
67.01878	4.0
69.43997	0.6
70.13484	1.2
70.13879	1.5
71.01378	5.7
72.99303	1.0
73.02946	1.8
81.03460	0.8
83.01363	1.5
83.05042	0.5
85.02943	57.1
86.03287	1.0
87.00866	53.3
88.01204	0.5
93.03454	5.9
99.00871	1.5
99.04491	0.8
101.02428	1.3
103.03932	0.7
109.02937	2.0
111.00871	100.0
111.04503	1.5
112.01218	1.9
112.98806	1.6
114.69170	0.5
127.04012	3.7
129.01935	7.4
130.99844	0.7
131.03484	1.1
147.02948	0.8
149.02786	1.5
154.99825	0.6
171.02899	1.2
173.00938	2.7
173.02272	0.7
173.04506	1.2
176.01131	1.8
191.01987	14.4
191.05580	95.8
192.05898	2.8
192.41045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0973
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
55.01874	1.0
55.76401	0.9
58.12083	0.7
59.01373	0.7
69.60091	5.3
71.01374	8.4
72.98915	1.5
72.99298	14.4
79.65105	0.7
80.49891	0.7
87.00853	1.6
95.04987	0.8
97.06579	78.3
98.06894	1.5
99.00867	15.2
107.08661	9.7
117.01912	1.4
120.72954	0.8
123.08151	24.8
124.08498	1.0
125.09706	6.3
141.09193	2.5
142.95078	0.7
151.07622	30.7
152.07964	1.7
167.07097	1.8
169.08684	10.8
187.04115	1.8
187.09734	100.0
188.10054	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	187.0973
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
50.37826	0.7
59.01374	86.7
60.01697	0.7
71.01375	1.7
71.05024	0.8
75.19693	0.7
86.95120	0.8
97.06586	2.2
99.08144	24.9
121.66609	0.6
123.08159	1.9
125.02437	0.8
125.09705	13.2
127.06771	1.5
127.07638	17.3
128.07948	1.2
143.05031	0.9
145.08690	100.0
146.09023	2.7
159.04436	0.8
168.88876	0.7
187.03978	1.1
187.07655	2.0
187.09752	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	183.0045
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
50.00327	0.4
51.02358	0.5
51.62152	0.3
59.71464	0.3
64.01910	0.4
67.01874	1.8
68.01392	0.5
68.99837	0.6
69.03452	1.3
69.49012	2.2
71.01379	0.3
79.01892	0.8
86.84208	0.4
95.01386	8.3
97.02956	0.6
109.01715	1.5
112.98544	0.4
120.00935	0.5
123.00877	18.8
124.01215	0.5
125.01199	1.5
137.01187	1.3
139.11298	0.5
150.90405	0.3
153.00665	16.7
154.00992	0.4
165.01895	0.3
168.00581	0.3
183.00444	100.0
183.10274	0.9
184.00815	2.2
187.27904	0.3
193.46255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0456
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
55.01893	0.3
59.01385	1.4
60.01708	0.6
69.03459	0.4
69.77972	0.5
69.78388	0.9
71.01368	1.4
72.01705	1.2
72.99306	0.3
73.02962	0.3
74.03258	0.2
80.05042	0.3
82.29781	0.2
85.02919	0.3
86.03297	0.3
89.02444	0.9
89.08577	0.2
90.02775	1.0
92.05045	3.3
94.02990	1.1
95.01418	0.4
96.96008	2.7
97.02953	0.4
101.02434	0.9
102.02750	1.6
102.97227	0.3
108.04543	48.4
109.02917	0.4
109.04875	1.0
110.06113	0.9
111.04488	0.4
113.20265	0.3
120.03762	0.4
120.04556	4.6
120.05354	0.6
122.02458	1.0
122.03277	0.4
123.00868	0.6
123.03253	1.0
131.95294	0.3
136.04012	0.8
136.04858	0.6
138.05592	100.0
139.03995	0.4
139.05940	1.9
152.03522	1.1
164.04285	0.8
164.06401	0.4
166.99768	0.3
167.03038	0.8
182.04535	27.1
182.07474	2.2
183.03198	1.4
183.04837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0613
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
57.03447	4.0
59.01361	9.2
59.98931	1.6
62.95290	1.6
69.03444	3.0
71.01388	4.3
72.99295	2.1
78.95913	3.0
79.95703	2.2
83.01404	2.1
83.05017	2.1
85.02930	3.0
94.02969	2.7
95.01391	6.8
95.05006	3.6
97.02932	5.8
97.06588	7.0
98.02491	4.9
98.03246	2.0
99.00880	2.5
109.02921	2.8
110.02505	1.5
111.00882	1.9
111.04488	2.1
112.04030	12.9
112.07664	4.8
122.02473	1.5
122.06107	10.6
123.00868	8.9
123.03249	2.1
123.04530	2.6
123.08158	2.3
124.04013	9.5
132.08810	1.6
135.05885	2.1
138.05598	100.0
139.04001	3.6
139.06010	2.3
140.04347	6.0
140.07149	8.3
140.89642	1.7
141.01921	2.2
141.05582	2.8
141.09157	3.3
166.05103	3.0
166.99864	6.7
184.06079	16.8
184.07449	2.1
185.00798	2.0
185.04576	1.9
185.11769	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	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
61.98823	0.2
65.38664	0.2
68.31276	0.2
70.45609	0.7
82.38029	0.2
82.95269	0.2
87.00887	0.7
92.01369	0.2
96.32655	0.2
119.93758	0.9
134.96074	43.9
135.96133	2.5
136.93994	100.0
137.92989	0.3
137.94070	5.4
149.72337	0.2
151.92702	14.7
152.92744	1.1
161.04521	0.3
178.95038	68.3
179.05557	0.5
179.95131	4.3
196.96130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Aspirin
Peak:m/z	Relative Intensity
56.98022	0.9
58.00576	0.6
59.01088	0.7
59.01372	9.7
61.59674	0.4
63.02391	0.4
69.03465	1.0
69.50420	2.9
71.01376	8.6
72.99274	0.5
73.02931	1.9
74.99094	0.6
75.00870	0.4
81.03458	0.6
83.01376	1.3
85.02929	3.8
87.00871	14.5
89.02442	3.3
89.67162	0.4
91.05525	19.8
92.05880	0.5
93.03448	3.2
95.01391	0.9
97.02955	1.1
99.00874	3.4
101.02453	2.1
104.32272	0.4
107.05028	1.6
108.02146	1.7
109.02934	2.7
113.02440	1.3
117.01925	3.6
121.02989	0.5
122.03755	0.5
123.00843	0.6
123.04433	0.5
125.02442	1.8
134.03732	0.6
135.04514	100.0
136.04831	2.9
141.01915	1.6
142.41075	0.5
151.00374	0.7
151.07658	0.6
155.35202	0.4
159.02998	1.2
161.03203	0.7
161.04539	9.5
161.05855	0.8
164.01173	0.8
164.04759	1.0
177.04018	0.6
178.99911	0.6
179.03502	12.4
179.05603	12.8
179.07051	0.9
179.10724	1.0
196.66585	0.4
198.35556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0559
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
55.01863	1.0
57.94007	0.7
58.00580	2.3
59.01373	34.3
70.92677	1.3
71.01373	24.8
71.05000	2.2
72.99301	12.0
73.02937	9.9
75.00862	100.0
81.03436	5.8
83.01388	1.5
85.02938	6.7
87.00866	17.9
89.02432	12.8
95.01373	1.0
97.02927	1.9
99.00873	8.6
99.04508	2.0
101.02426	4.9
113.02438	2.6
117.01943	2.1
125.02419	3.5
141.01952	0.9
143.03491	11.8
161.04541	15.0
176.55061	0.8
179.05580	75.5
180.05972	1.1
187.42072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0559
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
55.01879	3.0
57.03426	2.2
58.00576	2.9
59.01376	59.5
69.03417	2.8
69.93748	1.7
70.37275	6.8
71.01374	47.6
71.04992	1.9
72.99297	7.4
73.02950	14.1
75.00866	60.8
79.01879	2.5
79.12110	1.6
80.96503	2.7
81.03440	5.6
83.01377	5.2
85.02944	16.1
87.00866	73.7
89.02435	22.9
90.98582	12.6
91.02208	4.9
95.01368	2.9
97.02943	6.8
97.21816	1.6
99.00878	21.7
101.02422	11.1
113.02447	5.0
117.01927	14.9
119.03532	2.8
125.02408	11.3
127.35535	2.3
129.01976	1.8
135.04495	1.8
141.01907	6.6
143.03479	8.9
159.02939	4.5
161.04541	54.2
177.04033	2.1
179.05586	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	181.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65427	0.8
55.01859	1.6
57.03439	1.0
58.00596	1.2
59.01374	27.3
61.11649	0.8
67.60642	0.7
69.03433	0.9
69.82729	1.6
69.83118	2.6
71.01041	0.6
71.01374	31.2
72.99303	34.5
73.02948	5.5
83.01390	3.5
85.02930	6.7
87.00869	1.6
89.02436	21.4
93.03447	15.7
97.02915	0.9
101.02429	29.6
106.04186	0.9
107.04985	4.1
109.02964	1.8
113.02440	2.9
117.03450	1.1
119.03536	2.9
119.05016	57.2
120.05358	1.2
121.02922	4.1
123.04532	1.2
131.03479	1.7
134.03725	14.6
135.04514	90.0
136.04839	2.3
137.02451	2.0
137.06052	2.0
137.09862	0.8
149.04472	1.0
150.30179	0.7
151.00319	4.1
153.34979	0.8
161.87244	0.7
163.03990	100.0
163.05931	4.9
164.04314	3.1
164.64972	0.7
166.02692	6.5
167.52614	0.8
181.01628	4.5
181.05042	80.4
181.07130	24.0
182.05360	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	177.0191
Annotation	Esculetin
Peak:m/z	Relative Intensity
59.01089	0.2
59.01373	3.3
63.02385	1.7
65.00315	1.7
65.03945	0.2
67.01876	0.9
68.99812	0.4
70.32642	0.1
71.01369	0.4
71.07825	0.4
77.03951	0.3
87.00863	0.2
89.00310	0.7
89.03960	3.6
90.04285	0.2
91.01884	3.2
95.05011	1.0
99.00852	0.2
101.02415	0.1
105.03454	1.3
107.01379	1.9
109.02935	2.3
109.04119	0.1
111.00875	0.2
121.02921	0.9
123.04507	0.8
129.01938	0.4
132.02133	0.2
133.02940	6.2
133.06561	0.2
134.03236	0.2
135.00879	2.5
147.00880	0.2
147.02956	0.2
149.02434	1.3
151.00345	0.2
153.01979	0.2
162.03194	2.9
164.86913	0.1
167.69594	0.1
174.09660	0.2
177.01904	100.0
178.02238	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	177.0192
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.41756	0.2
50.47935	0.2
53.23205	0.2
59.01369	0.8
63.02352	0.2
67.01949	0.2
67.25739	0.2
68.58315	0.2
69.46007	0.8
69.46433	0.6
71.01363	0.4
77.03952	0.9
81.03459	1.8
89.03963	7.8
93.03455	1.3
95.05029	0.6
95.08517	0.2
105.03451	12.0
106.03862	0.3
107.01366	0.9
109.02955	0.3
117.12413	0.2
121.02969	0.9
123.82729	0.2
129.01987	0.2
131.01485	0.2
133.02943	24.1
134.03287	0.7
135.00845	0.4
139.03966	0.5
149.02420	3.4
162.03215	0.8
177.01907	100.0
178.02231	2.7
190.34154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0973
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
59.01372	4.5
62.27956	0.6
68.99841	0.9
69.03452	1.6
69.75967	4.4
71.01372	4.3
71.83100	0.7
72.99287	1.1
83.04985	1.0
85.02939	19.7
85.06580	16.9
87.00871	6.2
98.19833	0.7
101.06069	19.8
113.06078	45.4
115.00378	6.1
129.05566	37.6
129.06546	1.6
129.09225	4.9
131.07121	27.0
132.07578	0.8
133.07640	0.8
135.04446	0.8
147.04507	1.1
157.05099	0.7
157.08699	1.0
157.69730	0.7
174.88904	2.6
175.02573	1.2
175.03966	2.9
175.06219	1.8
175.09735	100.0
176.10095	2.7
179.03403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0974
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
57.03442	8.8
59.01089	0.6
59.01374	9.1
66.36682	0.4
68.99825	0.6
69.03461	0.6
69.08894	0.4
71.01377	10.5
71.05016	1.3
71.62231	0.5
72.99297	1.8
73.02955	1.5
74.49892	0.4
75.00877	0.7
81.55772	0.4
83.01385	1.1
83.05015	1.9
85.02950	2.8
85.06577	3.5
87.00869	25.0
95.05012	1.1
97.06558	0.6
99.00845	0.6
99.08148	8.4
101.02454	0.5
101.09698	0.5
105.03483	0.7
105.54377	0.4
109.06596	2.8
111.04508	1.0
111.08162	4.2
112.98787	0.9
113.02431	0.8
113.06076	1.0
115.00368	27.5
115.03995	1.1
116.00713	0.7
119.04990	1.0
120.30096	0.4
127.00340	1.0
127.07619	3.7
127.97525	0.4
129.09209	55.8
130.06596	1.1
130.09512	0.9
131.03481	0.9
131.05034	0.9
131.07115	0.7
133.03000	0.8
135.04495	0.4
139.07574	0.9
147.04544	1.9
157.01323	0.6
157.04965	0.4
157.08687	1.0
160.01639	0.8
161.02419	2.5
173.08160	1.1
174.03244	0.7
174.88998	2.5
175.02463	8.2
175.03998	3.6
175.06288	6.9
175.09740	100.0
176.03522	0.4
176.07140	0.4
176.10071	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	175.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29428	0.6
57.03438	0.9
58.00590	0.7
59.01376	9.9
59.54612	0.6
68.99816	0.7
69.03443	1.3
69.15483	0.7
71.01376	19.9
71.62705	1.2
72.99290	2.3
73.02940	2.1
75.00867	0.9
77.73135	0.6
83.01396	1.7
83.05035	0.9
83.25175	0.6
85.02942	4.2
85.06584	18.7
87.00375	1.3
87.00875	18.0
87.04552	1.0
93.03468	1.0
93.50088	0.7
101.06074	16.0
113.06082	50.7
114.06422	0.9
115.00362	19.1
115.03994	1.5
124.98772	1.2
127.00374	2.0
127.07604	0.8
129.05574	27.8
129.09213	8.9
131.03444	1.3
131.05043	1.1
131.07132	26.6
140.50235	0.7
147.04485	1.9
157.01439	0.8
160.01738	1.2
174.89000	4.8
175.02463	7.1
175.04008	5.7
175.06123	3.0
175.09741	100.0
176.03479	1.5
176.10063	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	175.0247
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
57.03437	2.5
59.01374	100.0
59.25534	1.5
68.99799	2.2
69.03452	2.6
70.16386	6.9
71.01382	18.5
71.05008	3.3
72.99304	6.1
73.02941	10.0
75.00860	7.4
83.01372	4.6
85.02945	9.3
85.06580	5.6
87.00864	28.2
87.04510	2.6
97.69524	1.7
99.00842	2.4
100.98795	43.1
101.02451	2.6
105.03822	2.9
111.04549	2.3
113.02437	3.0
113.06069	12.9
115.00352	22.3
115.03996	16.1
117.01945	13.6
124.98792	3.9
127.97509	31.6
129.05559	6.7
130.99844	3.2
131.03481	2.6
131.05003	2.3
131.07111	4.0
132.98169	10.7
133.05048	22.2
142.99840	7.4
146.97026	3.1
147.04585	1.8
148.98592	30.5
154.82222	1.6
155.62544	1.8
157.01422	2.9
157.05037	4.1
174.82828	18.0
174.88995	2.8
174.96500	7.4
174.99261	3.1
175.02573	11.1
175.03946	3.6
175.06100	41.3
175.64525	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0817
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
54.37625	0.3
59.01374	84.2
60.01710	0.6
70.45737	1.0
75.49516	0.3
85.06583	18.4
93.03465	0.5
113.06076	12.8
114.42513	0.3
129.05513	0.4
131.07127	100.0
132.07422	2.2
146.19426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01700	0.9
63.17493	0.4
69.70850	2.1
69.71256	0.9
77.82069	0.5
83.38164	0.4
85.06581	20.8
88.36577	0.5
90.86081	0.5
113.06074	20.6
114.06345	0.5
131.07124	93.9
132.07454	1.9
157.25456	0.4
163.30550	0.4
180.61107	0.4
181.00349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1181
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
59.01387	0.8
59.77642	0.3
67.01885	1.3
69.03419	0.3
69.92813	1.5
71.01363	0.4
93.03453	4.7
93.04007	0.5
96.58469	0.3
97.06641	0.3
111.04472	0.7
125.09698	0.4
127.11288	10.4
128.11630	0.4
131.07117	0.9
155.10811	2.0
171.10257	1.0
173.11803	100.0
174.12155	4.1
178.54384	0.3
190.73586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0246
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03432	1.8
58.00583	0.8
59.01375	26.2
67.01873	0.8
68.91176	0.5
68.99796	0.5
69.03449	1.3
69.72700	0.5
71.01377	36.1
71.05015	0.7
71.62205	0.4
71.62606	0.4
72.99308	4.3
73.02943	2.7
83.01379	1.4
85.02938	3.6
87.00868	81.1
93.03436	0.7
99.00907	0.6
99.08157	2.0
101.02409	0.7
104.52049	0.5
112.98802	2.9
113.02422	1.9
113.06129	0.5
114.50073	0.4
115.00362	100.0
116.00696	1.3
118.22604	0.5
127.00368	1.0
129.09210	6.0
131.05019	1.1
147.04585	0.8
174.88904	0.6
175.02475	27.0
175.03880	1.4
175.06165	1.1
175.09729	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	173.0089
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00311	2.2
55.01876	6.0
55.97840	0.9
57.03440	3.7
59.01381	7.7
60.99295	0.8
67.01888	4.7
67.54713	0.9
68.99812	3.3
69.21011	1.0
71.01375	100.0
72.99301	7.4
73.02934	7.4
74.73721	0.9
80.99788	1.1
81.03462	1.4
83.01376	12.1
83.05018	27.4
85.02934	3.7
85.06575	3.1
87.00864	7.6
93.03455	6.8
93.29859	0.9
95.06490	1.0
96.99301	4.2
98.19913	2.5
99.00868	32.9
100.07668	1.0
111.00874	11.9
111.04507	16.3
112.98802	54.6
113.02403	1.2
115.00386	5.5
115.01081	1.3
124.98788	20.5
128.07103	1.3
129.01904	2.0
129.05569	30.1
140.98273	1.3
142.99843	65.0
144.00117	1.1
155.03479	1.9
173.00887	13.2
173.04463	4.9
186.04773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0089
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00307	1.8
55.01868	6.3
57.03435	3.3
59.01377	7.6
60.71872	0.7
64.84402	0.7
67.01888	3.8
68.99809	3.4
70.93730	1.0
70.94041	1.6
71.01376	100.0
72.01701	1.2
72.99299	5.1
73.02937	7.8
80.99794	1.4
81.09754	0.8
83.01380	11.2
83.05013	1.6
84.99297	1.2
85.02959	5.6
87.00869	5.7
93.03451	3.3
96.99311	3.5
99.00873	35.5
101.02447	0.9
111.00869	9.3
111.04512	1.9
112.98803	42.1
115.00371	4.4
124.98800	22.9
128.07155	1.2
129.01894	3.3
140.98285	1.8
142.99847	56.4
144.00166	1.2
173.00900	12.3
173.04498	1.3
174.07619	1.9
181.29706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0453
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01860	1.3
57.03436	2.8
59.01370	6.1
60.99286	2.3
65.03954	1.1
66.18094	0.7
67.01885	14.2
67.05502	1.0
68.99794	1.0
69.03450	2.2
71.01375	25.3
71.04988	0.7
71.52720	1.0
72.99301	13.8
73.02911	3.4
81.03442	3.6
82.24181	0.7
83.01386	3.2
83.05017	100.0
84.05341	1.4
85.02950	5.5
85.06567	3.6
87.00882	3.2
93.03448	42.1
97.02944	0.7
97.45879	0.8
99.00880	8.7
99.04523	0.7
101.02458	1.1
109.06566	3.8
111.00872	6.7
111.04509	52.4
111.08142	2.2
112.04834	0.9
112.98804	7.9
113.02430	1.5
115.00381	1.1
115.98283	0.8
118.92139	0.7
124.98795	4.9
127.04010	1.6
127.07642	1.3
127.11227	0.7
128.07210	0.7
129.01926	1.9
129.05566	97.5
129.91693	0.7
130.05928	1.9
131.07108	1.9
142.99844	10.9
145.02898	0.9
155.03534	1.4
172.83057	10.6
173.01012	3.6
173.04533	13.9
173.08168	6.1
173.11815	2.1
173.83131	1.5
177.96587	0.7
178.34569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1025
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
69.43792	0.9
69.44195	3.2
98.19824	0.5
104.73791	0.6
117.11086	0.5
125.09703	2.2
127.07620	0.6
127.11282	5.6
144.48119	0.4
153.09163	1.4
160.78386	0.5
171.10246	100.0
172.10596	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	172.0978
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03462	0.4
58.02995	1.1
59.01400	0.5
60.99328	0.3
65.61833	0.3
67.01897	1.6
68.99809	0.3
69.03469	0.4
70.99711	0.5
71.01373	1.2
71.18709	0.2
78.00212	0.2
82.06653	0.4
83.05019	0.3
93.03452	8.1
99.00898	0.4
111.04528	1.2
111.08176	0.3
112.98779	0.3
127.07623	0.6
128.07962	0.4
128.10793	2.1
130.08728	100.0
131.09074	2.2
172.09750	14.5
173.04533	4.6
173.08138	0.7
173.10094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0662
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
50.99969	0.8
53.35289	1.0
55.01878	1.2
57.33097	1.4
59.01379	7.0
64.52447	1.2
66.71545	1.2
68.99815	1.7
69.03442	1.2
69.47013	7.4
71.01372	1.5
71.26331	0.9
72.99290	2.3
83.01388	2.2
83.05016	3.5
85.02949	2.9
94.96400	1.2
97.06586	2.0
97.07627	1.0
98.19853	1.3
99.00862	2.6
99.04507	2.1
99.08170	3.1
107.05013	1.1
109.02918	1.0
109.06585	12.8
110.22231	1.0
111.00863	2.0
111.04500	2.9
123.08107	1.0
125.09705	3.2
127.04010	1.8
127.07645	63.1
127.11275	6.8
128.07974	2.3
129.05580	2.4
130.08728	10.5
139.00310	1.2
141.01942	1.5
143.78899	1.0
144.04594	2.1
153.05605	3.3
153.09207	2.4
166.79771	1.0
171.02003	10.2
171.04445	1.7
171.06628	71.3
171.10255	100.0
171.13795	8.5
172.06914	2.5
172.09608	1.5
172.10677	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	171.1025
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01862	0.2
57.03424	0.1
58.00614	0.1
59.01353	0.1
61.44201	0.1
65.00317	0.2
69.27509	0.7
69.27937	0.5
79.89420	0.1
85.06664	0.1
85.65086	0.1
88.98791	0.2
89.02434	0.2
97.06566	0.2
98.19916	0.3
99.00865	0.4
99.08130	0.6
109.06623	0.2
123.08178	0.3
125.09705	2.8
127.07632	0.5
127.11275	5.7
128.11641	0.2
153.09190	1.2
171.01970	0.6
171.10246	100.0
171.13867	2.2
172.10597	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	171.1025
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
64.90213	0.5
70.30843	1.2
83.52022	0.4
99.08150	0.8
125.09688	2.0
127.07653	0.5
127.11285	6.2
153.09198	1.1
171.10251	100.0
172.10590	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	169.1233
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
59.01370	0.7
61.98827	3.4
67.93403	0.5
68.99817	2.2
69.03445	1.3
71.05057	0.7
71.18806	0.6
71.19151	1.1
79.01871	0.6
79.60113	0.6
79.95768	0.6
81.03444	0.8
84.04520	0.7
84.95116	3.0
87.00868	1.8
95.05002	0.8
96.96026	0.6
96.99297	0.9
97.02946	2.1
97.06564	0.7
119.34808	0.5
125.01041	0.6
125.02439	15.2
125.06060	1.3
125.09708	2.0
126.90372	4.0
151.00307	0.6
151.04013	0.8
151.11287	1.9
153.99023	0.7
168.83594	1.6
168.91333	1.3
168.99072	1.0
169.01427	6.4
169.05034	2.5
169.12325	100.0
170.04672	0.7
170.12680	2.8
170.13986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0141
Annotation	Gallate
Peak:m/z	Relative Intensity
50.90955	0.4
53.91182	0.4
57.03440	7.2
58.29436	0.4
59.28555	0.4
63.02391	2.7
65.00315	11.4
71.01367	2.9
71.37478	0.4
79.95724	4.7
80.96517	0.7
81.03454	6.0
83.01376	32.5
87.93233	0.4
96.95995	5.2
97.02944	0.8
102.78209	0.4
106.04263	0.8
107.01378	17.2
119.05018	3.0
121.02917	0.9
125.02428	29.9
125.06094	0.7
126.02755	0.8
135.04477	0.5
150.97043	1.8
151.00349	100.0
152.00662	3.1
168.83621	2.4
168.98415	2.0
169.01404	79.5
170.01740	2.9
185.10851	0.4
189.51608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0141
Annotation	Gallate
Peak:m/z	Relative Intensity
55.01907	0.7
57.03441	9.2
57.03682	0.6
61.22445	0.6
63.02415	2.2
65.00316	10.7
68.99830	1.3
69.03474	2.2
69.42766	5.0
71.01379	7.1
71.96346	0.6
72.99363	0.9
79.95029	0.8
79.95731	18.1
80.96535	1.8
81.03460	6.0
83.01378	34.4
85.02970	2.5
95.01416	0.7
96.96014	8.2
97.02961	2.4
99.00903	3.5
101.12917	0.6
105.18195	0.6
107.01379	16.6
110.00112	1.5
113.02444	4.8
121.02971	2.5
123.05626	1.0
125.01028	1.3
125.02435	38.5
125.06091	1.0
125.99565	1.5
126.98862	2.2
139.00378	1.3
150.97096	4.4
151.00354	100.0
152.00653	3.2
168.98289	5.3
169.01407	94.4
170.01804	3.3
178.06354	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	168.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	100.0
59.03314	0.7
60.93968	0.3
61.98829	2.2
68.99811	0.9
69.03416	0.5
70.02978	0.5
71.62096	0.3
77.41793	0.3
82.95412	2.6
87.00851	0.5
89.59598	0.3
97.02965	0.4
99.09854	0.3
99.55860	0.3
100.22132	0.3
101.76991	0.3
108.04529	0.4
109.02489	0.3
110.06110	0.3
125.02429	2.2
125.09727	0.4
126.90343	0.9
132.86789	0.4
151.11273	0.7
153.01505	1.1
168.03883	0.7
168.13898	11.9
168.83545	0.4
168.91403	0.4
168.98956	0.6
169.01392	1.8
169.08714	0.3
169.12286	1.1
169.14304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59501	0.7
55.36707	0.7
59.98523	1.5
61.98518	1.1
61.98823	20.8
62.09899	0.8
65.00336	1.3
67.01876	1.8
68.99844	1.4
69.85029	1.9
69.85445	3.3
80.02691	1.7
81.03420	1.9
82.95408	27.5
83.01392	1.2
85.02972	0.9
91.01891	6.1
93.03419	1.9
95.01375	9.2
95.05009	4.0
97.02923	2.2
99.04514	2.1
108.02164	45.0
108.04534	2.3
109.03006	1.6
111.00873	2.2
111.04542	1.2
115.62256	0.9
121.02951	2.4
123.00893	7.6
123.03603	1.9
123.04514	34.6
123.05468	1.8
123.08142	3.3
124.01649	4.1
125.02469	5.1
137.02414	2.9
138.03194	1.6
139.00375	1.1
139.04018	5.7
141.01927	0.8
149.02444	2.0
152.01144	100.0
153.01601	4.0
166.83350	4.8
166.93292	0.9
166.99828	2.2
167.03479	48.8
167.07156	2.2
167.10760	28.9
168.03822	3.3
168.06682	1.3
168.11115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0348
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
57.55491	0.3
63.71941	0.3
65.00325	1.7
66.23927	0.3
69.61114	2.1
70.47650	0.3
80.02668	1.6
81.03440	1.6
83.01376	0.7
85.94513	0.3
91.01891	7.3
95.01385	1.5
95.05008	0.4
97.02953	0.3
98.20509	0.5
108.02167	50.3
109.02512	1.3
111.00887	1.3
123.00880	1.7
123.04510	35.5
124.01641	1.4
124.04840	1.4
133.07494	0.3
151.00304	0.4
152.01138	100.0
153.01488	3.2
167.03479	32.4
168.03857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0348
Annotation	Orsellinate
Peak:m/z	Relative Intensity
57.03443	1.5
59.01367	1.9
65.00321	1.4
67.01882	0.6
69.03452	0.6
69.56493	2.3
80.02682	0.6
81.03451	16.5
82.03825	0.4
83.01388	6.6
91.01895	0.6
93.03448	0.7
95.01365	1.9
95.05015	2.6
96.99834	0.4
97.02963	0.6
99.04531	1.0
106.37463	0.3
107.01385	1.5
108.02174	4.9
109.02959	0.3
109.06624	0.5
111.08144	0.5
120.82151	0.4
121.06600	0.4
123.00888	1.2
123.04514	100.0
124.01656	0.6
124.04842	3.2
124.26902	0.3
125.02435	7.5
126.02784	0.4
137.02408	0.5
138.03302	0.5
139.03990	0.7
139.07639	1.3
149.02480	0.4
149.06082	0.9
151.00371	3.7
152.01138	9.3
157.05751	0.3
158.06754	0.3
167.03477	91.8
168.03886	3.5
168.91328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9985
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02375	1.2
52.40895	0.3
53.00305	0.3
67.01878	1.4
68.99810	2.9
69.03451	0.6
71.09814	0.8
76.00988	0.3
79.01891	0.6
79.95721	0.3
87.21873	0.3
91.01871	0.4
95.01378	100.0
95.05022	0.6
96.01723	1.5
97.02978	0.5
108.02163	5.1
111.08141	0.5
121.02962	0.6
123.00875	66.3
123.04485	4.2
123.08150	0.6
124.01626	1.5
133.02913	0.4
134.78598	0.3
139.00371	0.5
139.04007	0.6
139.07651	1.0
149.06052	0.8
149.99583	0.9
152.01135	10.9
166.99838	15.0
167.03484	6.2
167.07101	1.0
168.00481	0.6
178.23993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
54.87921	0.5
56.24226	0.4
58.62115	0.4
70.57311	1.1
70.57707	1.0
72.99301	26.7
80.08474	0.4
90.31097	0.4
91.05524	1.1
101.03949	1.3
103.05515	4.2
119.05022	30.8
120.05288	1.0
121.02966	0.8
130.35193	0.5
134.27046	0.5
147.04512	100.0
148.04829	2.9
153.19785	0.5
165.05557	34.5
166.05904	1.5
174.59482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0508
Annotation	Orthoform
Peak:m/z	Relative Intensity
56.16928	0.1
66.03474	0.2
69.38143	0.4
69.38545	0.9
90.79022	0.2
93.03442	0.7
93.99324	0.2
95.01394	0.4
95.80202	0.2
98.20614	0.3
108.02158	2.0
111.04530	0.1
121.02943	10.1
122.03273	1.2
123.00863	0.4
123.04521	1.8
136.05283	9.1
137.02492	0.2
137.05585	0.2
138.05586	0.2
139.04012	0.4
151.02730	22.1
152.01134	4.2
152.03075	0.7
166.05072	100.0
166.83336	0.2
167.03484	2.3
167.05399	3.8
183.01695	7.8
184.02055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0508
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
54.79604	0.2
54.99127	0.2
66.03471	0.6
69.97347	0.4
69.97699	0.9
72.49730	0.2
80.02654	0.2
90.03419	0.2
91.01856	0.4
92.05053	0.7
93.03454	0.8
95.01372	0.6
95.04990	0.2
104.47472	0.2
105.02213	0.3
108.02163	3.1
109.02876	0.3
111.25786	0.2
118.03009	0.3
120.04529	0.3
121.02955	0.8
121.05328	2.4
122.02503	0.4
122.03296	1.3
122.06109	0.4
123.00873	0.6
123.04506	2.7
135.04509	0.8
136.04137	0.9
136.05284	19.6
137.02415	0.2
137.05611	0.6
138.02979	0.2
138.33755	0.2
139.03993	0.7
151.00414	0.3
152.01126	6.5
166.05074	100.0
166.83298	0.3
167.03482	3.6
167.05414	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	165.0191
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
51.53826	0.3
55.48924	0.3
59.01378	0.4
59.51543	0.4
60.12865	0.4
69.95157	1.4
77.03992	0.8
79.17393	0.5
85.99495	0.4
93.03442	1.5
107.04996	0.7
119.05026	0.9
121.02943	100.0
122.03300	3.0
137.02493	0.6
145.99135	0.4
147.04475	2.0
150.03201	1.1
165.01907	10.5
165.05453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78794	0.6
57.24798	0.6
59.01390	1.0
66.56738	0.7
70.86479	0.6
71.38815	0.7
71.39140	1.0
72.99303	31.0
73.02961	0.8
76.04766	0.6
77.03999	1.0
82.76103	0.7
83.01392	0.9
85.80746	0.7
87.00922	0.6
89.02483	0.7
91.05537	2.6
93.03462	1.4
99.63956	0.6
101.03946	1.5
103.05513	3.9
103.10970	0.6
105.01939	0.8
109.02919	1.0
117.03440	0.8
119.05019	32.9
120.05369	2.0
121.02943	16.2
122.03260	0.8
125.57972	0.6
125.65964	0.7
137.02435	5.8
147.04510	100.0
148.04848	4.2
150.03221	2.4
165.00613	1.0
165.01938	7.1
165.04349	1.4
165.05551	36.7
165.09131	0.9
166.02194	0.7
166.05875	1.7
178.83359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1121
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
51.33946	1.2
59.01379	7.8
61.98810	1.9
66.91603	1.3
69.87990	3.8
69.88399	2.5
70.67776	1.3
71.01368	4.4
73.02955	1.3
84.46786	1.5
85.02953	9.2
93.03470	1.4
98.20506	2.3
100.24875	1.2
101.02433	10.0
101.15419	1.2
115.31368	1.2
118.99249	4.1
119.04222	2.3
119.05022	30.6
120.05324	1.4
131.03445	1.9
133.47479	1.3
135.95711	1.4
163.00359	4.2
163.03958	3.8
163.06107	15.8
163.11269	100.0
164.11607	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	164.0715
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.61220	0.4
56.00467	0.4
59.01369	1.5
60.01691	0.4
69.49575	1.4
69.50001	2.0
70.32984	0.4
71.01383	1.1
72.00903	37.6
72.99306	0.9
75.00875	0.8
77.03964	0.6
85.02966	0.9
87.00867	0.6
91.05512	2.3
93.03456	0.8
103.05534	3.4
105.01929	0.9
107.05031	1.3
107.89121	0.5
109.02907	0.6
119.05026	3.9
120.04549	0.7
120.05340	9.9
121.02950	15.3
121.06660	0.5
122.03709	0.6
123.04504	0.6
135.04562	0.9
137.02432	1.2
147.04509	100.0
148.04857	3.9
150.03172	2.1
164.04417	1.3
164.07153	51.9
164.89842	0.6
165.01912	2.2
165.04109	0.7
165.05571	1.6
165.07538	2.4
165.09157	0.9
181.81680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0715
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
57.14302	0.5
59.01366	0.8
69.94898	1.9
69.95306	0.9
72.00903	37.7
73.45271	0.6
77.03947	0.6
86.03212	0.6
87.00858	1.2
91.05531	1.9
93.03439	0.6
98.20518	0.8
103.05523	4.8
104.92021	0.6
105.01954	0.7
119.05021	2.2
120.05354	3.1
121.02940	10.0
135.04456	0.6
147.04507	100.0
148.04834	3.6
150.03209	2.0
154.91562	0.6
164.07150	59.2
165.01926	1.1
165.04105	0.7
165.07529	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	163.04
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
57.03431	0.7
57.19830	0.4
58.99574	0.6
59.01374	6.6
70.17169	1.7
71.01373	2.7
73.02918	0.7
85.02946	4.3
89.02449	0.7
91.01900	0.7
91.05528	33.8
92.05884	0.6
93.03454	2.6
101.02438	4.1
101.03971	0.5
102.98606	2.2
113.02347	0.5
117.03468	0.8
119.05018	100.0
120.05364	3.3
131.03496	0.9
135.00873	1.7
135.04517	4.9
162.83905	2.0
162.89290	0.6
163.00381	6.2
163.04005	11.7
163.06137	8.8
163.07523	1.2
173.12115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0763
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
53.80258	0.3
58.99593	3.5
59.01374	3.3
70.15888	1.3
71.01372	0.8
74.99105	1.4
74.99506	0.3
83.88432	0.3
84.34213	0.3
85.02940	1.6
89.02426	0.3
93.03444	0.5
101.02419	2.1
102.98586	6.7
113.02448	0.4
114.19789	0.3
119.05018	7.5
120.05304	0.4
121.02898	1.6
131.03491	0.4
135.04439	0.4
147.04512	2.5
148.05287	100.0
149.05617	4.3
163.00284	0.7
163.03979	1.1
163.06111	3.7
163.07625	5.6
164.08022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0662
Annotation	1,3-Diacetoxypropane
Peak:m/z	Relative Intensity
55.01881	0.6
57.03449	0.7
59.01375	96.5
59.29905	0.4
60.01709	1.1
68.99803	0.5
69.03441	0.6
69.42735	1.4
69.43159	1.8
71.01369	2.7
71.05017	13.5
73.02947	4.4
83.01374	0.8
85.02948	1.1
87.00889	1.9
91.78399	0.4
97.02921	0.8
97.06562	0.8
99.00862	1.5
99.04508	15.0
99.92600	0.7
101.02439	1.6
111.00879	1.9
113.02444	0.8
114.94963	0.4
115.07615	0.9
116.92852	1.7
117.05569	100.0
118.05904	1.8
129.01900	2.6
130.04230	1.2
131.04996	1.0
147.25314	0.4
158.89229	0.4
159.02965	4.1
159.04442	1.6
159.06596	1.3
159.10233	1.2
169.96971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0818
Annotation	D-Cymarose
Peak:m/z	Relative Intensity
50.21678	0.6
55.01880	1.0
57.03436	1.4
57.54107	0.6
58.00569	0.7
58.02975	0.8
58.08813	0.7
59.01374	9.2
67.91547	0.6
69.03451	0.9
70.80666	1.7
71.01380	17.9
71.05021	20.2
73.02949	6.3
75.00867	1.1
81.03461	1.8
83.01371	2.3
85.02943	12.4
85.06584	7.2
87.00867	1.2
87.04503	13.3
87.80185	0.6
89.02447	2.9
97.02937	0.6
99.04514	70.7
100.04847	2.5
101.02445	1.7
101.06073	1.2
113.02468	1.4
113.06066	0.9
115.04007	43.8
115.07638	9.5
116.04370	0.7
117.05564	27.0
120.66969	0.6
131.03503	7.2
143.07118	0.8
161.02362	1.3
161.04575	7.4
161.08180	100.0
162.08514	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	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
55.49813	0.1
66.03485	0.5
70.56401	0.3
72.01714	0.2
73.27158	0.1
81.03466	0.2
89.55721	0.1
96.38896	0.1
106.04217	0.1
108.02184	0.4
109.02943	2.1
109.06580	0.2
110.00089	0.2
121.02911	0.7
122.03729	36.1
123.04495	1.3
124.04836	0.4
125.02441	0.2
137.01973	0.2
137.99553	0.2
152.03517	100.0
153.02008	0.9
153.03871	3.8
153.05621	0.2
163.50543	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	154.0145
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
50.48386	0.3
54.73642	0.2
61.49300	0.2
64.25496	0.2
65.99845	1.2
71.34861	0.2
71.62794	0.3
95.01408	0.3
107.01364	0.6
110.03302	0.5
123.00880	7.8
124.01649	24.3
124.04842	0.6
125.01971	0.8
131.62743	0.2
136.03987	0.3
154.01442	100.0
154.99818	0.5
155.01787	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	157.0503
Annotation	Dimethylmesaconsaure
Peak:m/z	Relative Intensity
52.02194	0.2
57.03438	0.5
59.01374	1.4
60.99286	0.7
62.43320	0.3
63.26758	0.3
69.03433	0.4
69.24962	0.8
69.25375	1.7
71.01384	0.5
80.02694	0.3
81.03450	0.7
83.05012	5.2
84.99306	3.1
85.02930	0.4
85.06567	0.7
93.03448	3.4
95.05018	100.0
96.05343	2.6
99.00870	0.3
101.03857	0.4
111.04475	0.6
113.06091	3.6
113.09641	0.4
113.23952	0.3
118.58511	0.2
127.00391	1.3
128.98257	0.6
139.03992	1.8
157.05042	58.5
157.08534	1.6
157.12325	1.0
158.05328	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	157.0505
Annotation	Dimethylmesaconsaure
Peak:m/z	Relative Intensity
50.76944	0.4
57.03434	0.7
59.01368	0.8
59.47855	0.3
60.99281	0.5
67.01890	0.4
68.99809	2.1
69.03431	0.4
69.05266	0.4
69.77885	2.1
71.01360	0.9
75.00871	0.8
80.02625	0.4
81.03457	1.2
82.99615	1.2
83.05011	5.6
84.99297	0.6
85.02928	0.6
86.06090	1.1
93.03455	2.9
95.05016	100.0
96.05335	2.6
96.99255	0.5
99.14053	0.4
111.04509	1.6
112.04055	1.5
113.02419	0.6
113.06078	4.4
114.05602	0.9
115.05920	0.6
119.81932	0.3
124.98780	0.5
127.00420	0.6
139.03986	1.9
156.89444	1.7
157.05040	58.4
157.08681	1.2
157.12349	0.4
158.05400	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0869
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
54.24932	0.3
56.46387	0.3
57.03442	0.8
59.01375	100.0
60.01710	1.3
61.27953	0.3
61.39333	0.3
64.28405	0.3
68.99830	0.4
71.01395	0.8
71.62845	0.6
81.95113	0.3
83.05019	0.5
84.99300	3.5
85.02968	0.7
87.00870	0.9
95.05028	1.2
97.06586	4.2
99.00868	1.3
105.37428	0.3
111.00903	0.4
111.08150	1.2
112.92243	0.4
113.06064	0.9
113.09708	0.8
115.00387	0.8
118.08858	0.3
127.00352	3.2
128.98289	0.5
130.06636	0.5
139.07620	0.8
156.89420	0.4
157.01373	0.8
157.05055	1.1
157.08687	13.1
157.12314	2.3
157.13486	0.3
158.03549	0.4
158.06110	0.7
158.09174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0869
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
53.00784	0.4
55.01860	0.5
57.03448	3.4
59.01377	4.1
69.03452	0.9
71.01390	1.4
72.99311	1.7
84.95596	0.5
84.99303	6.7
85.02959	1.4
91.70397	0.4
93.07108	0.8
93.41566	0.6
95.05019	1.6
99.00848	0.7
109.06577	1.9
111.02087	0.5
111.08148	100.0
112.08482	4.5
113.06113	1.0
113.09723	0.7
115.00394	0.8
123.48101	0.5
127.00356	4.8
128.98293	1.3
137.81447	0.5
139.07631	5.2
155.07106	1.5
156.89389	0.6
157.01379	1.0
157.05133	1.2
157.08684	77.2
157.12231	3.4
158.03615	1.3
158.06128	0.9
158.09097	3.4
170.80112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03479	0.9
67.66786	0.2
67.79737	0.2
69.40272	1.4
69.40697	0.6
78.03477	0.9
81.03430	0.2
83.01354	0.2
87.49366	0.2
89.71747	0.2
98.19772	0.4
99.23609	0.2
104.01411	0.3
106.02976	0.5
107.03759	4.6
108.02190	0.6
109.02958	2.5
121.02950	0.5
122.02499	1.3
122.03729	25.6
123.04646	1.7
134.02461	0.4
137.99655	0.3
152.03519	100.0
153.01900	0.9
153.03873	3.3
153.05161	0.3
153.05615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
51.89377	1.5
57.03444	11.7
59.01375	13.9
70.88754	4.9
71.01373	8.8
71.05014	82.4
72.99302	49.0
75.00860	19.3
82.33033	1.7
83.05018	5.0
85.02942	27.2
87.00866	42.6
88.57380	1.5
98.97026	1.6
99.00890	2.8
99.04513	2.5
101.02435	3.1
101.06078	14.2
103.04031	4.3
129.01942	10.8
129.05602	4.2
137.77417	1.5
147.03003	14.2
147.06612	100.0
148.06914	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0662
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
55.01882	1.6
57.03428	1.5
58.34715	0.9
58.99588	0.9
59.01374	8.3
61.98827	2.3
62.35437	0.8
71.01375	17.1
71.05015	100.0
71.15894	1.5
72.05353	2.2
72.99287	2.7
75.00857	3.7
84.99313	1.1
85.02938	2.4
89.02450	1.6
90.80883	0.7
99.00867	7.9
99.04515	2.8
101.02441	1.0
110.78087	0.8
111.00799	0.8
115.00246	0.9
119.05040	1.6
129.01973	1.1
129.05557	3.9
140.70367	0.8
147.02922	1.5
147.04536	5.3
147.06613	52.8
148.06871	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89347	0.9
65.86243	0.9
69.35529	7.3
77.09355	0.9
79.05512	1.0
80.77277	0.8
83.50821	0.9
91.05534	2.5
92.48208	0.9
93.03451	3.1
103.05502	1.1
105.03446	2.6
119.05015	4.0
119.97432	1.0
121.02940	18.7
147.04498	18.0
148.05287	100.0
149.05626	5.4
153.83295	1.0
156.76625	0.9
168.07169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0453
Annotation	L-xylose
Peak:m/z	Relative Intensity
55.01873	1.9
58.00581	2.3
59.01376	31.2
69.03455	4.3
71.01375	29.0
72.99300	6.4
73.02942	23.8
75.00864	24.6
84.33955	1.9
85.02946	6.9
86.81107	1.9
87.00858	13.0
89.02436	100.0
103.04028	5.1
131.03482	20.9
147.72365	1.9
149.04546	73.7
153.25565	2.0
159.30711	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	149.0454
Annotation	D-(-)-Arabinose
Peak:m/z	Relative Intensity
52.67297	1.6
54.94598	1.6
55.01871	2.0
58.77942	1.6
59.01378	34.9
61.42696	1.8
69.03449	4.0
71.01369	31.9
72.99312	4.9
73.02939	22.1
75.00860	25.5
85.02948	7.6
87.00861	13.0
89.02436	100.0
98.20692	3.6
101.02450	2.9
103.04012	7.4
103.14858	1.7
109.49513	1.6
110.97878	1.6
121.02928	2.5
131.03474	19.9
139.97809	1.8
149.04541	73.1
150.04909	1.9
151.93846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	SCHEMBL14401414
Peak:m/z	Relative Intensity
53.31655	1.7
55.01870	1.6
55.09672	1.6
57.03447	2.4
59.01137	2.1
59.01378	29.4
69.03447	3.8
70.76874	4.9
71.01377	31.3
72.99297	5.9
73.02939	27.6
75.00871	18.1
85.02943	6.0
86.65601	1.8
87.00877	15.3
89.02434	100.0
101.02437	2.7
103.04006	7.1
120.93496	1.9
121.02962	2.5
131.03482	25.3
149.04538	72.6
150.04901	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	151.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.5
53.00288	1.1
55.01867	2.0
55.64809	0.9
59.01363	5.8
63.62412	0.7
65.00295	1.6
66.03484	1.9
66.91423	0.8
67.01884	16.0
68.99789	2.7
69.03450	9.9
70.89028	2.5
71.01374	7.4
72.99283	1.3
73.02950	4.2
78.79571	0.7
79.01884	9.3
79.16734	0.8
80.02671	3.4
81.03453	29.0
82.03766	1.1
85.02931	1.7
88.98108	0.9
89.02443	4.0
93.03398	0.8
95.01379	59.8
96.01733	1.8
96.31118	0.8
97.02954	7.4
99.47256	0.8
101.02424	6.9
107.01382	81.6
107.05026	4.8
108.02198	23.9
108.04504	1.1
109.02916	1.4
117.01954	1.1
123.00877	100.0
123.04500	6.4
124.01211	3.6
125.02437	50.2
126.02773	1.1
136.01643	22.4
151.00362	22.9
151.02190	1.4
151.04002	18.7
151.06084	4.0
151.07571	1.4
152.01155	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	147.0298
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
56.74866	2.4
57.03437	25.1
59.01375	32.0
71.01372	19.9
71.05014	83.6
71.61191	5.4
72.99299	23.8
73.06567	5.8
75.00871	12.9
83.01373	3.9
83.05021	11.1
85.02943	61.0
87.00868	94.1
99.00877	6.9
99.04481	4.5
99.84624	2.5
101.02445	5.3
101.06076	39.3
103.03996	8.3
126.60487	2.5
128.41045	2.3
129.01921	23.7
147.02960	39.1
147.06609	100.0
148.07004	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	147.0299
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
51.29145	2.5
54.57147	2.8
57.03448	21.8
59.01377	33.1
70.67419	7.8
71.01382	16.2
71.05017	100.0
72.99311	27.2
73.06563	3.1
75.00864	16.3
83.01405	3.8
83.05012	3.6
85.02946	60.2
87.00868	81.4
99.00892	5.9
99.04498	3.0
101.02459	5.3
101.06087	33.5
103.04019	9.0
111.00866	2.7
127.43759	2.7
129.01962	17.1
129.05586	5.1
147.03001	34.5
147.06625	97.8
148.06966	4.6
166.64050	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.55196	7.3
70.99566	14.2
75.12626	8.1
103.05511	16.5
115.19073	6.6
119.04988	16.6
122.73602	6.8
124.03841	6.1
130.22330	6.6
147.04501	100.0
151.37202	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
53.58132	11.7
56.15489	10.1
69.53827	69.2
69.54227	21.4
93.40363	9.5
101.38101	11.2
103.05539	27.9
109.30087	9.4
119.05026	15.9
147.04526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.47390	4.4
55.08962	4.2
56.28231	4.2
59.01375	52.0
64.78826	4.9
69.51948	31.4
71.01377	100.0
72.99292	8.0
75.00854	19.8
83.01408	6.4
84.99295	11.6
85.02992	5.2
89.02420	7.0
99.00875	37.6
101.02423	11.0
101.04007	6.1
119.04996	8.1
129.01895	9.1
147.02934	13.0
147.04478	66.5
151.35220	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03436	5.6
59.01382	28.5
60.87711	4.0
61.98817	10.6
69.35960	8.4
69.36378	30.4
71.01369	40.5
72.99252	4.1
75.00849	6.6
78.77197	3.9
83.01369	5.3
84.99314	6.3
89.02431	4.0
99.00902	21.6
101.02430	4.9
103.03893	5.2
103.05538	11.0
119.04999	16.9
147.04504	100.0
148.04886	5.8
162.14970	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	138.0196
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01865	0.7
57.67506	0.5
67.01861	0.6
69.61066	1.3
69.61490	2.8
79.95744	1.2
93.03435	0.7
94.03772	3.2
94.98075	1.8
98.20618	0.8
108.02169	52.4
109.02485	1.7
111.00864	2.4
124.01568	0.6
136.13887	0.6
138.01956	100.0
139.00380	1.4
139.02307	4.7
139.03976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0196
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
60.12922	0.5
68.50098	0.4
69.61075	3.1
69.61428	0.6
70.46142	0.5
98.19877	0.7
108.02164	48.3
109.02509	1.9
138.01956	100.0
139.02332	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	142.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34845	1.0
51.35038	0.9
51.40509	1.0
57.61237	1.0
61.49806	1.2
63.02392	12.1
65.00320	10.9
66.51243	1.0
69.03415	0.9
69.89042	4.6
71.01366	2.6
72.21027	1.1
83.01389	4.5
84.37372	0.9
85.02912	1.2
98.19901	1.5
107.01382	15.2
109.02976	1.2
119.28004	0.9
125.02399	1.3
132.02161	4.0
133.02939	69.4
134.03214	5.5
141.51292	3.1
142.01645	100.0
142.51810	17.1
143.05084	1.3
143.10791	1.1
151.00325	10.2
155.10197	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	13.5
59.01362	6.9
68.99810	4.4
69.70438	2.4
70.77603	5.7
71.01376	36.5
73.93439	2.4
76.28756	2.7
77.61003	2.2
80.99841	2.9
83.31998	2.2
85.02956	3.6
87.00867	9.6
91.80971	2.8
96.99311	12.6
98.19961	3.5
112.98808	23.6
115.00335	6.0
124.98804	47.1
125.02406	2.5
135.87340	3.2
140.98297	8.2
142.99843	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	12.5
59.01379	5.5
60.23537	2.5
68.99794	5.1
69.29612	2.4
69.85350	11.0
69.85740	4.7
71.01376	41.4
80.99804	5.3
83.01394	3.0
84.52822	2.6
87.00869	7.0
96.00410	2.7
96.99304	14.4
98.19836	3.9
105.52225	2.3
112.98805	22.2
115.00370	4.2
124.98789	50.4
140.98280	12.9
142.99850	100.0
144.00218	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	145.0141
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
57.03437	18.2
59.01372	16.9
65.60560	6.6
71.01382	46.3
71.60561	7.0
72.99288	13.0
73.02943	22.2
83.01372	21.7
87.00845	28.6
99.00858	6.1
101.02434	100.0
102.05601	17.6
112.98751	10.0
115.00383	30.7
115.01047	6.2
116.25419	6.0
127.00356	23.4
128.03487	15.8
136.07869	5.6
145.01416	26.9
146.04597	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	145.0869
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
56.30402	1.2
62.04213	1.2
69.70891	3.6
69.71321	4.4
80.12399	1.3
83.05008	1.6
97.72823	1.2
99.08147	100.0
100.08488	3.4
126.82603	1.6
145.08693	55.6
146.09001	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	145.087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61155	6.7
89.10275	1.0
94.42287	0.9
97.06582	5.4
99.08146	100.0
100.08495	2.8
101.75503	0.9
127.07619	3.1
143.07111	2.0
145.08691	55.5
146.09081	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	145.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29534	1.0
52.37819	1.0
52.86605	0.9
56.26533	1.2
56.96605	1.0
68.27156	1.0
68.60574	1.0
72.99335	1.5
73.02936	0.9
73.09019	1.1
73.11000	1.0
83.05004	2.9
83.26168	1.0
97.06583	2.3
99.08150	100.0
100.08500	2.9
100.90206	1.0
101.06071	2.1
107.43634	1.2
113.46199	1.2
117.03437	2.1
118.03025	1.8
127.07661	1.2
145.02965	2.5
145.04915	2.0
145.08696	54.4
146.02478	6.0
146.09068	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	145.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50835	1.2
61.63429	1.3
69.47722	9.4
71.01365	2.4
72.99290	1.9
73.02918	1.5
78.35709	1.1
79.34715	1.4
82.14619	1.1
83.05002	4.3
85.02960	1.7
97.06590	2.0
98.20573	2.1
99.04523	1.5
99.08147	100.0
100.08504	4.8
101.06087	4.9
117.03494	3.5
118.02977	2.6
127.07674	2.2
144.96449	3.7
145.02950	3.9
145.04001	1.6
145.05022	4.1
145.08688	49.9
146.02441	11.3
146.09062	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.03
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.7
70.72397	1.4
71.01379	1.6
71.94158	0.4
72.99301	3.5
73.02941	0.8
74.63912	0.5
75.00867	19.3
85.02945	1.8
87.00856	0.4
87.42049	0.4
89.02436	1.7
89.22240	0.4
91.52953	0.4
93.47123	0.4
105.60693	0.5
106.41074	0.4
114.74246	0.5
134.88351	100.0
135.02974	6.6
135.04488	2.5
135.88416	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	136.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09728	1.1
65.03954	1.2
67.01838	1.1
71.53214	2.2
73.98315	4.8
74.99091	91.9
75.99424	1.5
79.95735	2.1
81.03460	2.7
93.03450	87.2
94.03767	2.5
99.41617	1.0
108.02172	6.3
109.02936	11.4
123.00842	2.6
123.03275	1.2
126.20917	1.0
135.98700	1.0
136.01643	5.0
136.86270	4.3
136.99130	3.0
137.02432	100.0
137.06032	5.5
138.01869	6.0
138.02802	3.6
138.05609	2.4
140.46304	0.9
143.84134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0295
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
62.87422	0.5
71.01378	11.4
71.62212	1.0
72.99303	2.6
85.02950	1.2
85.23949	0.5
87.00856	1.1
87.04496	1.5
89.02451	1.2
92.02528	0.6
105.03439	0.9
107.03619	2.0
115.00362	14.9
116.00663	0.6
121.02932	5.8
123.04560	0.6
132.02109	0.7
132.86749	4.0
133.01524	3.7
133.02942	100.0
134.03235	4.3
134.04686	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
51.95681	0.2
55.67622	0.3
57.04715	0.3
57.18518	0.3
59.01384	0.5
59.90125	0.3
59.90423	0.3
60.88823	0.2
69.85557	1.4
71.01381	0.6
73.02940	0.4
75.00861	0.3
80.02559	0.4
85.02965	1.4
87.82580	0.3
92.02539	7.0
92.97725	0.3
107.03630	25.6
108.03304	0.5
108.03959	0.8
116.00703	0.3
134.04720	100.0
135.03053	0.5
135.04364	1.6
135.05081	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	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
70.56418	1.7
71.01377	70.8
72.01708	1.5
72.99303	16.3
87.00881	2.6
89.02441	8.1
98.20451	1.0
100.25774	0.8
106.96456	0.8
115.00362	100.0
116.00694	2.7
133.01418	27.5
133.05045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	Ophiocerin B
Peak:m/z	Relative Intensity
57.03432	3.1
59.01374	100.0
60.01710	1.3
61.62708	0.9
62.79124	1.0
63.41059	1.2
68.99783	1.3
69.03427	1.1
71.01367	9.9
71.62096	1.8
73.02937	19.5
85.02950	8.2
85.06586	12.3
87.04514	6.2
99.48874	1.0
101.02433	2.4
113.02437	1.8
131.03506	6.1
131.07129	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	131.0713
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
50.79336	1.2
69.03461	1.3
69.49567	8.3
81.55083	0.9
82.47923	1.0
85.06583	100.0
86.06922	3.3
119.22897	1.1
129.05597	2.3
131.07127	60.5
132.07471	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	131.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53462	1.0
64.46022	1.2
65.71367	1.0
69.03445	9.0
70.90691	1.4
85.06582	100.0
86.06918	3.5
92.28824	1.1
113.06099	2.7
116.13665	1.1
122.04138	1.0
131.07130	62.0
132.07460	2.6
137.41811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01379	1.2
69.24895	0.6
69.46557	5.3
69.46945	1.6
71.01378	58.8
72.01746	1.2
72.99303	13.0
73.48873	0.7
75.97140	0.8
87.00871	2.0
89.02444	7.0
98.19921	1.7
110.93410	0.8
115.00365	100.0
116.00688	3.7
133.01414	28.5
134.01743	1.5
136.58470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	2-Oxohexanoic acid
Peak:m/z	Relative Intensity
50.91173	3.0
54.10266	2.7
55.01867	10.8
56.62014	3.1
57.03445	15.7
59.01367	5.1
59.70411	2.5
66.65313	3.0
67.01895	19.0
68.99826	6.9
69.45256	5.6
69.45664	16.8
71.01366	11.8
72.99296	13.1
73.02940	6.8
73.59419	3.1
79.95731	9.5
83.01427	3.6
83.05022	74.5
83.05522	3.9
85.02930	24.2
85.06574	7.9
87.00861	4.3
88.04031	11.5
98.20580	6.0
101.02437	4.3
103.14151	3.1
107.06750	3.2
111.00849	6.3
111.04509	25.7
128.90149	24.4
129.01942	27.1
129.05563	100.0
130.08722	19.8
132.12207	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	129.0558
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
52.70879	9.7
55.01876	22.4
57.03438	30.1
59.01364	30.7
67.01878	36.8
67.34853	10.3
68.99812	14.1
69.63810	45.8
69.64229	23.0
71.01411	20.7
72.99283	11.4
73.02947	27.5
79.53840	10.5
83.05008	27.7
85.02947	60.9
85.06596	21.4
101.02481	19.7
111.04489	15.1
117.73344	10.9
128.90182	90.9
129.01930	68.4
129.05563	100.0
130.08723	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	130.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
70.73502	1.4
70.73827	1.0
71.01373	3.3
73.02938	3.9
84.08192	1.4
85.02960	2.6
87.04515	1.6
88.04043	2.3
104.96944	0.9
130.08734	100.0
131.03537	1.9
131.09070	4.3
132.29179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06865	0.9
69.44339	1.0
69.77188	5.1
81.72061	1.1
85.06582	100.0
86.06940	3.4
88.40536	1.0
111.15079	1.1
129.05559	1.5
131.07127	55.5
132.07452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
52.60852	5.3
55.01870	11.6
57.03444	48.0
59.75197	4.5
59.76229	4.7
59.99688	4.8
66.56239	4.4
67.01887	97.6
68.99810	17.1
70.93522	11.2
70.93857	8.2
71.01374	11.4
72.99292	7.9
73.02956	5.3
81.01369	4.8
83.01409	6.7
85.02941	22.4
87.00866	9.1
88.04050	9.9
99.00892	6.9
113.13168	5.0
129.01901	24.0
130.08728	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
51.80672	4.7
53.78512	5.4
55.01873	12.3
57.03447	56.0
67.01888	100.0
68.63436	5.2
70.31480	14.6
71.01380	10.3
72.99305	8.8
73.02935	5.5
83.01380	9.3
83.05022	24.3
84.11546	5.0
85.02941	23.3
85.06553	6.5
88.04034	37.0
97.57796	5.7
111.04505	9.1
128.90152	6.4
129.01903	17.0
129.05550	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	129.0558
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
50.15215	4.9
55.01864	8.9
57.03442	45.0
62.95522	4.2
67.01887	100.0
68.99796	7.4
69.89720	22.8
71.01368	6.9
72.99313	11.1
77.35715	4.9
82.11179	4.9
83.05016	57.6
83.50290	4.2
84.05370	5.1
85.02946	31.0
85.06596	7.1
88.04032	30.3
98.20559	6.2
111.04507	13.2
119.01981	4.8
129.01918	29.3
129.05559	42.6
133.03693	6.3
133.72119	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	127.0764
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
54.44537	4.8
57.03415	5.0
68.82352	4.6
69.47871	40.9
81.41872	5.9
83.05029	6.1
85.02941	7.6
86.94883	5.2
98.20600	7.6
103.90282	4.9
105.99509	6.6
123.68916	5.4
126.90434	62.8
127.00372	13.0
127.04057	7.3
127.07634	100.0
128.03532	13.6
128.07159	24.6
130.68013	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	127.0764
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
55.92201	5.7
69.47376	33.6
80.34570	4.5
83.05000	5.7
85.02963	10.8
98.19893	7.9
99.04503	5.1
126.90427	75.2
127.00338	12.2
127.04023	20.1
127.07637	100.0
128.03488	11.0
128.07161	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	129.0193
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
54.23038	4.6
55.01861	10.0
57.03440	58.5
58.02959	6.0
58.91799	5.6
67.01886	100.0
68.99821	9.4
71.01378	6.9
71.37106	8.8
72.00397	5.0
83.01368	4.6
85.02946	41.3
88.04033	62.2
102.91732	4.4
129.01906	32.6
129.05588	26.7
141.16000	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
56.11852	1.5
60.28897	1.4
62.63145	1.6
66.54692	1.9
68.20407	1.6
69.43490	6.4
69.43914	6.1
70.22094	1.5
82.14677	2.0
93.03455	8.2
94.02959	2.7
98.20570	3.2
108.02190	2.0
113.15020	1.8
121.02947	100.0
122.02451	3.5
122.03299	5.0
130.05969	1.7
139.66917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
61.40197	0.9
69.72402	6.2
71.01357	1.6
74.10766	1.0
92.62284	0.9
93.03451	97.3
94.02975	10.7
94.03798	3.9
100.40596	1.1
108.02160	1.9
114.25401	1.0
121.02945	100.0
122.02467	11.2
122.03300	3.5
133.95744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0451
Annotation	p-Hydroxybenzyl alcohol
Peak:m/z	Relative Intensity
51.71326	1.0
51.91994	0.8
54.04688	0.9
66.94372	0.8
68.99801	1.3
70.89812	1.8
79.95740	4.6
90.06520	0.9
93.03447	64.7
94.02969	1.1
94.03804	2.7
94.98074	2.8
95.01376	21.0
96.01701	1.0
97.39102	0.9
121.02943	100.0
122.03262	5.1
122.97577	3.9
123.00883	15.5
123.04517	24.6
123.11815	0.9
124.04025	3.8
124.04833	1.3
130.31064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0452
Annotation	p-Hydroxybenzyl alcohol
Peak:m/z	Relative Intensity
51.06155	0.6
59.45518	0.5
69.89099	3.2
79.95728	5.2
85.53747	0.5
90.21250	0.6
93.03449	63.7
94.02991	1.3
94.03779	2.7
94.98084	2.6
95.01373	8.3
102.06632	0.5
121.02943	100.0
122.03252	5.7
122.97569	2.8
123.00874	7.9
123.04511	24.5
124.04034	2.3
124.04845	0.6
124.91637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.9964
Annotation	3-Mercaptolactate
Peak:m/z	Relative Intensity
69.79243	7.9
69.79649	16.2
69.96490	4.4
84.79479	4.2
93.03446	69.8
94.02989	7.2
98.19952	6.0
120.99642	77.0
121.02936	100.0
122.02469	10.1
130.27951	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	120.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18161	1.7
61.97995	1.6
66.60980	1.4
69.50647	13.3
70.33758	1.5
93.03426	9.7
94.02962	9.2
120.99637	24.1
121.02946	100.0
122.02450	6.7
122.03254	3.2
134.10310	1.5
136.36375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05655	1.6
66.03454	1.7
70.38519	6.1
93.03465	13.2
94.02977	7.2
108.02129	2.3
120.99632	19.9
121.02946	100.0
122.02441	7.6
122.03316	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
52.92166	0.3
59.36748	0.3
70.96909	0.7
70.97244	0.4
71.01431	0.3
91.01889	0.6
93.03446	3.9
94.02967	2.8
95.01401	0.4
100.01231	0.4
108.02181	2.5
121.02946	100.0
122.02457	2.0
122.03292	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	119.0502
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.28393	1.2
59.01380	2.5
67.16338	0.9
70.16705	3.3
71.01387	1.4
72.26078	1.0
75.38320	1.0
77.60338	1.0
91.05512	2.5
91.72749	0.9
94.68385	1.0
95.92259	1.0
97.68096	1.0
98.19951	1.6
101.03962	25.2
102.04298	1.3
117.03468	14.1
118.92697	2.8
119.05019	100.0
120.05337	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	120.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05655	1.6
66.03454	1.7
70.38519	6.1
93.03465	13.2
94.02977	7.2
108.02129	2.3
120.99632	19.9
121.02946	100.0
122.02441	7.6
122.03316	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	120.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82175	1.1
65.03954	1.1
68.43880	1.0
70.93100	2.8
78.22894	1.0
93.03452	100.0
94.02981	4.4
94.03788	3.5
108.02190	1.1
112.96354	1.2
120.99651	10.9
121.02947	57.6
122.02465	4.6
122.03246	2.2
137.46265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01870	0.5
73.02942	100.0
74.03285	2.6
74.58669	0.4
99.00878	8.4
117.01930	18.0
132.25371	0.5
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	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
59.01369	0.5
61.30159	0.3
71.01675	0.6
71.05021	0.4
73.02940	100.0
74.03271	2.0
99.00865	9.2
99.92587	1.3
100.01189	0.5
116.92853	2.9
117.01931	15.5
117.92858	0.5
118.02248	0.7
139.04390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82833	0.4
55.01862	0.5
69.62622	2.2
73.02939	100.0
74.03281	2.0
75.32497	0.3
82.97851	0.3
84.52655	0.3
91.46626	0.3
98.19890	0.5
99.00874	8.3
99.92575	0.7
116.92838	2.0
117.01930	16.9
118.02228	0.6
139.78563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0557
Annotation	(R)-2-hydroxy-3-methylbutanoic acid
Peak:m/z	Relative Intensity
59.01383	1.6
61.05245	1.6
69.67507	7.8
71.05016	100.0
72.05352	2.0
73.02940	37.2
99.00846	3.2
99.92573	20.8
113.92862	1.5
116.92850	78.1
117.01930	7.3
117.05567	79.9
117.92901	6.7
118.05908	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01369	2.6
64.93155	0.7
66.91082	0.7
71.01359	1.3
77.92353	0.6
91.05524	1.1
93.03453	2.6
101.03965	2.7
101.92403	1.4
103.53693	0.7
117.03446	1.5
117.67294	0.7
118.92689	2.9
119.05022	100.0
120.04607	0.7
120.05332	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	119.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39087	1.1
59.01358	2.4
69.56559	9.0
71.01382	2.0
72.03639	1.1
87.49290	1.3
90.52870	1.2
91.05508	1.8
98.19896	2.1
101.03960	27.3
107.42255	1.3
110.07365	1.3
117.03449	12.9
118.92636	2.5
119.05010	100.0
120.05341	4.9
123.93627	1.3
125.10826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.988
Annotation	Acetylenedicarboxylate
Peak:m/z	Relative Intensity
52.44907	0.4
57.03439	1.9
68.99567	100.0
69.03448	0.6
69.99911	0.8
71.60479	0.5
72.99310	1.7
85.02932	4.1
96.94768	0.4
107.68726	0.4
112.98557	2.9
113.02437	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0608
Annotation	epsilon-Caprolactone
Peak:m/z	Relative Intensity
53.75566	1.6
55.01876	3.5
57.03443	16.7
68.99567	100.0
69.03432	5.2
71.01357	4.0
81.08768	1.7
83.01368	3.6
84.02194	4.5
85.02432	3.4
85.02939	46.0
88.72503	1.7
106.88442	1.9
112.98569	2.5
113.02443	20.8
113.06073	53.4
114.02785	2.0
114.05581	7.8
129.12416	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	113.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03444	10.7
58.67485	0.9
68.99567	100.0
69.03442	3.7
71.01385	1.4
71.62834	1.1
78.11322	1.0
83.01387	1.5
84.02169	4.1
85.02432	1.9
85.02940	30.7
112.98563	3.9
113.02436	13.6
114.05627	5.2
119.73902	1.0
125.95408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
69.30692	25.0
71.01376	100.0
87.00849	5.3
93.50951	3.7
115.00363	12.9
115.04012	7.0
116.07197	3.8
131.75354	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	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
53.12733	1.1
55.00211	1.3
55.01875	18.8
59.00740	1.2
67.01892	9.7
67.88151	1.2
71.01373	4.3
71.23187	1.8
71.23539	1.6
78.95898	100.0
83.01382	50.5
84.01672	2.0
110.97598	3.9
110.98547	3.5
111.00871	25.4
111.02001	1.4
111.04508	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1118.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
78.49855	4.1
81.41132	4.0
83.05031	23.7
93.03442	7.2
96.95989	10.1
103.27175	4.3
109.02946	13.5
111.04499	16.9
121.02940	94.6
123.04495	21.8
125.02429	9.2
137.02399	33.8
144.78183	3.9
155.03516	26.0
180.34740	3.9
295.65335	5.0
372.32495	5.2
402.18060	4.4
405.12064	20.1
423.12756	5.5
527.15546	100.0
528.15680	12.1
562.24689	4.4
585.99829	4.2
631.17548	4.6
649.30286	4.8
784.85345	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	112.9856
Annotation	Trifluoroacetic acid
Peak:m/z	Relative Intensity
54.84756	0.4
55.01888	0.4
57.03442	1.2
63.92884	0.4
68.99565	100.0
69.98895	1.9
69.99912	0.7
72.09519	0.4
72.93494	0.4
72.99299	1.1
73.50334	0.3
76.37316	0.4
85.02929	3.6
105.23209	0.4
105.23930	0.4
112.98561	2.9
113.02444	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.5995
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95894	0.3
78.98582	2.5
79.95254	0.3
79.95729	6.2
80.96508	33.6
81.03454	0.2
83.01396	0.2
85.02943	1.4
87.00868	1.3
94.98077	8.3
95.01376	0.3
96.96001	1.7
97.02922	0.8
98.19796	0.3
99.00883	0.3
101.02428	1.3
106.98077	1.6
113.02462	0.1
117.14880	0.1
122.97581	1.9
125.02414	1.9
127.04013	0.5
133.54364	0.1
134.97574	2.4
136.99135	0.9
146.97658	0.3
148.99123	3.2
152.98611	3.1
155.00122	0.2
164.98605	7.6
167.00256	0.2
188.98598	0.2
206.99661	1.8
209.11696	0.1
225.00714	13.0
226.01001	0.4
277.21655	1.2
279.23322	1.2
299.04358	2.8
300.05060	0.1
363.81305	0.1
504.30920	1.3
548.29968	0.2
577.26782	100.0
578.27069	8.8
647.77197	0.1
696.48578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0087
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01873	30.9
58.17043	2.0
63.74020	1.8
67.01885	7.4
70.61652	4.9
71.01373	8.1
78.95899	73.0
79.87926	1.8
79.95708	2.7
83.01382	100.0
84.01708	3.3
110.97556	19.4
111.00863	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
76.03479	0.1
77.03961	0.2
78.70353	0.1
81.03446	4.3
83.01357	0.1
83.05015	18.1
84.05350	0.4
85.02943	0.4
87.00855	0.1
93.03446	7.7
96.96007	0.2
97.02917	0.2
101.02435	0.1
107.05022	0.4
108.02145	0.3
109.02938	14.5
110.03241	0.3
111.04504	17.3
112.04845	0.4
113.02451	0.4
121.02940	100.0
122.03257	1.7
123.04504	13.6
125.02423	0.3
127.03981	1.0
133.02869	0.1
135.04512	0.3
135.47403	0.1
137.02423	19.8
138.02759	0.3
146.38258	0.1
155.03477	18.9
156.03868	0.5
161.04512	0.6
173.04509	0.2
177.01805	0.1
187.07817	0.1
191.05563	0.1
197.98828	0.1
215.07196	0.2
261.07553	0.2
265.07144	1.7
267.08771	0.2
285.09680	0.2
299.07672	0.3
303.36365	0.1
317.08710	0.2
377.12332	0.2
389.12366	1.1
390.12836	0.1
403.10287	0.2
405.11829	13.7
406.12061	0.8
415.09528	0.1
421.11246	1.1
423.12894	1.6
509.14307	0.3
527.15491	63.2
528.15826	5.0
543.15070	0.1
563.13171	0.2
631.18079	1.2
665.18884	0.3
761.17725	0.1
899.44385	0.1
985.29388	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	108.0211
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
67.03007	3.6
69.30928	9.7
81.03448	2.4
91.01859	1.8
108.02163	43.6
108.04556	12.3
109.02946	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	1087.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	11.2
96.96010	0.3
102.05569	0.3
104.97440	0.3
110.98522	5.4
119.62185	0.3
142.05484	0.3
146.02214	0.3
152.99571	0.6
167.01135	2.3
185.02173	4.8
218.64914	0.3
259.20444	0.5
275.20071	0.8
277.21683	100.0
278.22015	5.0
407.63449	0.3
445.23560	30.6
446.23917	2.5
481.15430	0.6
555.19183	0.5
572.15112	0.5
641.22607	0.8
680.54736	0.3
809.24316	0.6
863.53400	0.3
919.44641	2.8
920.45166	0.8
946.15338	0.3
1055.43652	0.4
1087.46790	31.0
1088.47192	8.0
1088.71191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.294
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03964	0.2
80.98671	0.2
81.03450	4.7
83.05017	20.7
84.05367	0.3
85.02934	0.2
93.03448	8.1
94.03790	0.1
95.01382	0.2
101.02444	0.3
107.05013	0.6
108.02148	0.4
109.02943	16.5
110.03284	0.2
111.04510	16.8
112.04886	0.2
113.02407	0.4
115.93743	0.2
121.02946	100.0
122.03283	1.8
123.04510	16.1
124.04888	0.3
125.02451	0.3
127.04009	1.0
133.02849	0.2
135.04532	0.6
137.02431	20.3
138.02803	0.4
143.03471	0.2
151.03935	0.2
155.03488	18.9
156.03831	0.3
161.04495	1.0
173.04547	0.4
191.05579	0.4
193.53897	0.2
213.05550	0.5
215.07104	0.2
257.17853	0.2
261.07532	0.2
265.07187	1.3
299.07712	0.3
317.08777	0.2
377.12323	0.2
389.12305	1.0
403.59686	0.2
405.11850	14.3
406.12173	0.8
421.11307	1.2
423.12939	2.0
509.14502	0.4
527.15527	71.4
528.15918	5.7
528.22064	0.2
621.19275	0.6
631.18286	1.3
655.23895	0.2
665.19513	0.3
1091.51050	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	1091.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05009	10.0
88.62199	4.9
93.03448	18.0
96.95982	5.1
98.20641	11.7
99.85132	4.6
109.02906	11.0
111.04508	31.4
116.60238	4.5
117.03371	7.1
119.04944	5.3
121.02947	98.5
123.04543	8.7
125.02444	5.8
137.02435	14.0
145.02936	13.4
155.03508	13.7
158.78860	5.2
161.02444	5.9
173.04510	7.0
175.34169	5.7
176.01047	5.1
181.68431	6.0
191.05594	15.9
209.11748	11.3
221.29454	5.5
229.44943	8.2
301.04730	19.2
367.16949	6.2
464.92056	5.4
527.15497	38.0
562.27374	7.5
563.13306	100.0
563.21124	8.9
563.28845	12.2
564.12744	5.9
649.32068	5.4
726.43207	5.8
772.41315	5.7
1123.93152	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	1071.224
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	0.7
83.18633	0.2
85.02924	1.2
87.00858	0.4
95.01398	0.4
98.19875	0.7
107.01381	2.0
108.02164	0.5
108.37054	0.2
109.02921	0.7
110.89558	0.2
113.02438	0.7
121.02914	1.1
125.02464	0.2
133.02925	2.3
135.00879	0.4
148.01678	0.5
148.80009	0.2
149.02428	1.0
150.99133	0.4
151.00342	7.3
163.00360	1.2
175.03964	1.0
178.99826	3.8
187.03940	0.3
188.89122	0.2
198.03143	0.2
199.03976	1.2
201.01967	0.4
211.04007	0.5
213.05496	0.3
215.03452	0.6
217.04980	0.7
226.02687	0.8
227.03517	1.3
229.05025	0.5
233.07332	0.2
239.03647	0.2
240.04211	0.2
241.04996	0.7
243.02953	5.1
244.03540	0.4
245.04471	0.7
254.02232	1.2
255.02956	13.5
256.03296	0.7
257.04495	0.4
266.01874	0.3
271.02432	30.9
272.02869	2.2
273.03793	0.5
283.02393	0.6
284.03204	0.4
285.03998	51.5
286.04333	2.3
297.03906	0.5
299.01971	0.6
299.05325	0.3
300.02704	58.7
301.03436	23.0
302.04034	1.1
327.04922	0.9
343.04584	0.6
357.06046	0.7
390.97723	0.2
461.07169	29.7
462.07593	1.6
478.26883	0.3
496.17877	0.2
561.19702	0.3
609.14490	100.0
610.14771	7.4
742.77026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.1
69.82881	3.7
69.83292	2.3
72.99303	60.1
73.99667	1.4
75.00865	23.6
91.04498	1.1
98.20026	1.3
105.01926	100.0
106.02237	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	1065.6354
Annotation	Unknow
Peak:m/z	Relative Intensity
74.64538	0.2
79.62123	0.2
80.02689	0.8
81.03460	1.0
83.01375	0.6
83.05025	3.5
84.02133	0.6
85.02933	0.4
89.02425	1.3
93.03443	0.4
95.05018	0.3
96.95985	1.4
97.02951	1.0
97.06601	0.5
101.02453	2.5
103.81548	0.3
109.06592	0.3
111.08157	2.0
113.02450	1.1
116.92891	0.6
119.03567	0.4
119.08659	2.3
121.03021	0.4
121.06529	0.3
123.08121	0.3
125.02438	0.6
125.06044	0.7
125.09723	1.3
127.07683	0.3
127.11261	0.4
135.08154	0.7
137.09720	3.9
143.03552	0.5
145.05061	0.4
151.11275	0.5
153.09177	0.5
153.12852	0.3
153.34612	0.3
155.10799	0.9
161.04541	1.1
163.11284	3.2
163.30414	0.3
165.12839	2.5
167.10751	0.6
169.12340	0.9
171.10258	17.5
172.10571	0.4
177.12897	0.3
179.05537	0.5
181.12361	0.7
183.10254	0.3
183.13968	0.3
184.02821	0.3
185.11812	4.2
191.10825	0.9
197.11815	10.8
199.13382	0.6
201.11305	0.4
207.10318	0.4
209.11813	100.0
210.12151	3.1
211.13364	3.1
213.11330	0.9
221.11790	0.3
225.11360	0.3
227.12860	12.2
228.13344	0.4
229.19478	0.6
233.15280	0.4
235.08203	4.7
247.20625	1.0
251.16496	0.5
253.09267	11.8
254.09567	0.4
263.20142	0.6
265.18161	0.4
273.18585	1.9
291.19641	18.6
292.19968	0.9
293.21225	0.8
309.20691	58.9
310.21042	2.4
400.28952	0.3
445.20718	4.7
446.21185	0.3
463.22449	0.4
501.31842	0.6
519.33063	0.3
527.28613	1.1
543.01312	0.3
545.29980	1.9
737.42065	0.4
755.41638	0.3
760.54498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.5
58.99599	100.0
59.01371	11.1
67.56656	1.6
71.63330	2.5
73.02947	2.3
74.99104	2.5
85.02950	1.9
102.98585	32.2
103.04038	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	102.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.3
58.99598	100.0
59.01365	5.3
59.99920	1.9
71.63128	1.3
73.02943	2.2
73.86863	1.0
74.99086	3.8
85.02935	1.6
97.66299	1.1
102.98588	34.5
103.03988	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	102.986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.7
58.99601	100.0
59.01369	2.3
59.62254	0.8
59.99571	0.7
59.99920	1.6
68.86417	0.7
71.46529	1.4
74.99094	3.5
76.82432	0.8
85.02988	0.8
102.98592	36.1
103.03990	1.8
103.98904	0.9
107.98854	0.8
109.26675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.6455
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	0.3
73.02928	0.1
83.05042	0.1
97.06632	0.1
111.08148	0.2
114.98145	0.1
123.08170	0.1
125.02490	0.1
137.09773	0.1
149.09695	0.1
151.11331	0.1
174.91876	0.1
189.12820	0.1
205.16061	0.1
219.17613	0.2
221.19173	0.1
233.19069	0.1
235.17007	0.2
277.01144	0.1
283.20605	0.2
285.22131	0.1
287.20169	0.1
289.21701	1.0
301.21637	0.2
303.23257	1.3
304.23468	0.1
325.21606	0.1
327.23221	0.4
355.26294	0.1
367.29971	0.2
369.27747	0.1
371.29510	0.2
373.27377	0.1
373.31134	0.7
383.29437	1.0
385.26526	0.1
385.31122	1.2
386.31604	0.1
387.28696	0.2
401.30521	2.6
402.30933	0.1
409.31467	0.3
411.28613	0.2
415.31903	0.2
417.33902	0.1
425.30359	0.2
427.32120	3.8
428.32373	0.3
429.33923	1.2
445.33176	1.6
446.33673	0.1
455.31708	0.1
457.33475	0.2
473.32663	6.5
474.32849	0.4
483.30963	0.1
501.32111	1.0
502.32718	0.1
519.33173	100.0
520.33527	7.4
594.94708	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	991.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	2.4
69.07084	0.6
69.86344	1.3
71.01336	0.3
73.02914	2.3
79.05486	1.6
81.03419	1.6
81.07061	2.4
83.04995	0.3
83.08617	0.3
85.02905	4.4
85.06599	0.3
87.04478	0.3
91.03958	3.0
91.05477	1.6
93.07050	2.2
95.08610	2.1
97.02892	4.8
97.06522	0.4
97.10193	0.4
98.20762	0.3
99.04482	0.7
101.02373	1.2
103.03924	0.4
105.07055	1.1
107.08612	0.9
109.02901	0.6
109.06573	0.3
109.10175	0.7
115.03977	0.6
117.07032	0.6
119.08628	0.8
121.10153	0.4
127.03904	1.4
133.10161	0.6
135.11731	0.6
145.04942	0.4
145.10197	0.5
145.23613	0.3
159.11763	0.4
161.13460	0.3
185.04306	0.8
203.05283	0.8
243.08391	1.9
259.07974	0.3
260.76804	0.3
333.20428	1.9
335.25986	0.5
347.09476	2.4
363.09061	0.5
365.10678	1.0
382.27917	0.4
389.23077	0.3
405.13669	5.9
405.18475	0.4
439.19754	0.5
453.21249	0.9
469.20477	0.3
479.22311	0.4
519.29333	4.7
551.28241	3.6
615.26453	0.6
681.34570	5.8
713.33612	3.0
829.50226	1.2
893.48633	0.7
991.56006	100.0
992.55902	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	1009.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
75.47040	0.1
83.01382	0.3
96.01746	0.1
105.03423	0.1
107.01378	1.2
109.02934	0.4
120.40221	0.1
121.02898	0.1
132.02184	0.2
133.02940	2.4
134.03746	0.6
145.02971	0.1
147.04514	0.1
148.01654	0.2
149.02405	0.8
149.99472	0.1
151.00354	2.5
155.74608	0.1
159.04419	0.1
169.06644	0.1
171.04500	0.2
175.02510	0.2
175.03981	1.0
177.01886	0.1
183.04498	0.2
184.05388	0.1
185.06003	0.2
187.03893	0.2
188.04755	0.2
189.01759	0.1
189.05603	0.1
195.04477	0.2
197.06027	0.2
198.03166	0.2
199.03957	1.2
200.04704	0.4
201.01898	0.4
211.03949	0.5
212.04756	0.3
213.05447	0.3
215.03455	0.3
216.04134	0.1
217.05025	0.8
223.04037	0.2
227.03484	0.7
228.04176	0.2
229.05014	0.2
239.03403	0.4
240.04276	0.1
241.05037	0.5
242.01898	0.1
243.02971	0.5
255.02942	0.7
256.03735	2.6
257.04388	0.3
267.02777	0.2
269.04526	0.3
283.02429	0.4
284.03220	45.0
285.03986	76.9
286.04333	3.8
297.03821	0.4
299.05646	0.5
327.05103	1.3
398.93979	0.1
421.38120	0.1
429.08044	0.4
447.09164	1.4
448.09793	0.1
461.32886	0.1
489.10291	100.0
490.10635	7.5
490.18060	0.2
533.09424	0.2
601.47839	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	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
57.69575	1.0
59.01379	16.5
69.35422	7.4
69.35827	2.1
71.64915	0.9
72.99302	65.6
75.00870	20.8
103.00417	1.7
105.01926	100.0
106.02265	2.3
110.20143	1.0
118.57919	0.9
122.32600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
79.86044	0.2
83.01369	0.5
85.02937	0.4
95.01353	0.2
107.01385	1.0
109.02920	0.3
113.02442	0.3
115.31689	0.2
119.85403	0.1
121.02932	0.3
121.71128	0.2
125.02445	0.2
131.94676	0.2
132.02190	0.2
133.02940	2.2
134.03635	0.5
144.08015	0.2
148.01640	0.2
149.02422	0.7
151.00348	2.7
163.00311	0.2
174.03181	0.1
175.03946	1.0
177.01897	0.2
183.04446	0.3
185.06113	0.2
195.04411	0.2
199.03952	1.1
200.04681	0.3
201.01936	0.4
211.04001	0.4
213.05637	0.3
215.03409	0.2
216.04430	0.2
217.05005	0.6
227.03488	0.9
228.03816	0.2
239.03409	0.3
241.05029	0.6
243.02951	0.5
255.02956	0.6
256.03735	2.3
257.04111	0.2
269.04373	0.2
283.02469	0.5
283.54828	0.2
284.03223	43.9
285.03989	72.4
286.04361	3.6
297.03964	0.4
299.05594	0.9
327.04907	1.0
329.06573	0.2
429.07767	0.2
447.09348	1.5
475.08804	0.7
489.10309	100.0
490.10699	6.5
490.17932	0.2
533.08850	0.2
776.04749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	5.5
70.19656	0.3
70.20052	0.5
75.04424	0.2
77.03929	0.9
79.05488	2.2
80.64310	0.2
81.03417	0.8
83.00314	0.2
84.96027	0.2
85.02894	0.8
89.55077	0.2
95.04449	0.3
95.04974	3.1
97.02907	1.2
99.04452	0.4
105.03394	50.1
105.04533	2.1
106.03713	0.4
107.04956	16.0
108.05256	0.3
109.02873	0.7
117.03132	0.2
118.03915	1.8
123.04419	0.6
123.98754	0.2
127.03915	3.7
129.03145	0.5
130.03920	0.3
133.02615	17.4
134.03378	0.5
135.04182	5.7
143.68849	0.2
145.04900	0.2
145.25412	0.2
147.04370	0.2
160.01292	0.4
161.02135	1.0
162.02881	17.5
163.03705	0.8
164.97148	0.2
167.03198	0.5
169.04767	0.4
179.03156	12.4
185.04219	2.1
201.05325	0.3
211.07332	1.3
223.07379	0.3
224.08253	0.2
225.08914	0.5
227.06818	1.3
229.08382	3.1
237.05194	2.4
241.08360	2.3
249.07790	0.4
251.06822	0.6
253.04778	0.6
254.05443	0.2
255.06276	7.6
267.08783	0.3
268.07138	0.7
271.05832	0.4
273.07339	9.5
275.08929	0.4
289.06821	10.4
291.08499	0.7
297.07239	1.4
307.07877	0.8
309.09479	3.1
317.06467	0.6
335.07373	4.2
335.11380	0.3
369.13376	0.3
385.12387	0.4
386.13580	0.3
395.11002	1.5
401.12277	0.2
403.13901	0.7
413.12064	1.9
429.11514	0.2
430.12344	1.6
431.13470	0.2
435.12909	0.2
447.12622	4.9
523.15851	0.3
534.14954	5.1
535.15491	0.2
538.12213	0.2
538.21973	0.2
541.16821	9.1
551.15295	5.7
557.16748	0.2
559.17676	0.3
603.16870	3.0
645.19281	1.6
689.18225	0.4
707.19525	4.6
869.24567	0.3
878.78003	0.2
913.29767	0.4
957.26935	0.2
975.28906	100.0
976.29205	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	984.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85848	0.6
69.03424	5.7
69.07069	14.3
69.99255	3.3
71.05000	0.8
73.02927	0.9
77.03921	1.0
79.05495	25.5
81.03428	3.1
81.07056	29.4
83.04974	2.4
83.08617	5.5
85.02896	3.7
85.06561	1.4
91.03952	1.6
91.05482	16.7
93.07044	27.3
95.04971	5.5
95.08608	22.2
97.02899	6.0
97.06468	1.3
97.10176	7.0
98.20839	0.8
105.04501	0.9
105.07030	10.4
107.04957	4.6
107.08596	13.9
109.02881	0.9
109.06519	2.5
109.10150	9.5
111.08080	1.5
117.07019	5.4
119.08593	9.6
121.06506	1.8
121.10148	8.8
123.08086	1.5
123.11719	2.9
125.09636	4.9
127.03934	1.5
129.07005	2.8
131.08582	8.1
133.06512	1.3
133.10136	5.6
135.08038	2.1
135.11696	4.5
137.09602	1.5
143.08591	2.3
145.10138	5.3
147.08005	3.2
147.11707	4.0
149.09625	1.1
149.13260	3.4
151.11172	0.8
153.09140	1.2
157.10153	1.1
159.11726	2.9
161.09673	1.5
161.13275	2.4
163.11209	0.8
163.14850	1.5
165.09135	1.5
171.11737	1.0
173.13316	1.8
175.11195	1.6
177.12819	1.0
185.13280	1.0
187.14861	0.7
189.11240	2.8
195.13817	0.8
201.16449	0.8
205.12231	1.2
215.14221	0.7
223.13295	10.5
227.12816	2.6
243.21233	1.3
245.19107	0.8
249.14912	1.8
261.22165	7.4
267.16025	1.0
273.18500	7.3
291.19547	62.8
317.24838	2.9
335.25809	66.6
347.22147	2.2
365.23230	43.0
407.30096	0.7
515.39081	0.7
527.37134	1.4
545.38385	4.5
567.40265	1.3
604.77948	0.7
607.43762	3.0
625.44659	100.0
626.44556	2.5
643.45764	1.3
689.42902	0.8
776.99310	0.7
787.49469	0.8
984.55261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49755	0.1
69.03428	8.3
69.23408	1.0
71.05000	0.1
74.01432	0.1
76.03092	0.1
77.03912	1.2
77.04325	0.1
79.05491	5.7
81.03415	0.8
83.05001	0.1
85.02897	0.7
91.05481	1.5
95.04965	5.2
97.02896	2.1
99.04466	0.6
105.03391	100.0
105.04538	2.4
106.03703	0.6
107.04951	86.4
108.05287	0.5
109.02877	1.0
111.04436	0.3
118.06535	0.1
119.04936	4.2
121.02881	0.5
123.04422	1.0
127.03914	7.5
129.07016	0.2
131.04912	0.1
137.05974	0.6
139.03865	0.6
141.06998	0.2
145.04947	0.7
145.06488	0.2
145.64694	0.1
147.04381	0.2
151.03871	0.1
152.06227	0.1
157.06473	0.3
157.10162	0.2
165.07021	0.2
167.08578	0.7
170.07332	0.2
183.08092	0.3
185.09650	0.6
189.05476	0.3
190.04532	0.1
195.08035	0.7
198.06822	0.2
199.07600	0.2
201.09106	0.2
209.05939	0.1
211.07585	0.2
213.09099	31.8
214.09476	0.3
215.07039	0.1
217.08673	0.1
227.07082	0.2
231.06496	4.4
233.08150	0.2
245.08174	0.3
249.07591	4.4
265.07037	0.7
267.08624	39.5
268.08948	0.5
277.07037	0.5
295.08157	0.2
373.12817	1.8
405.11667	0.2
550.21527	0.1
970.39691	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	970.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	9.2
70.22246	0.3
71.04985	0.1
77.03910	1.5
77.04316	0.1
78.31937	0.1
79.05492	6.1
81.03425	1.0
81.07048	0.2
81.87617	0.1
83.01347	0.1
83.04980	0.8
85.02901	0.7
91.05475	2.8
91.98162	0.1
93.03407	0.5
93.07055	0.2
95.04970	8.6
97.02888	1.8
99.04456	0.5
100.52663	0.1
105.03393	100.0
105.04539	2.5
106.03682	0.5
107.04950	93.0
108.05264	0.6
109.02872	1.0
109.55968	0.1
111.04440	4.0
117.07007	0.1
118.06524	0.2
119.04941	7.9
121.01988	0.2
121.02868	3.0
121.06525	0.1
123.04432	1.6
127.03912	7.4
128.06219	0.2
129.06984	0.3
131.04929	0.2
131.48166	0.1
134.38411	0.1
135.08095	0.1
137.05968	1.1
139.03896	3.9
141.05524	0.2
141.07005	0.2
142.07793	0.3
143.08543	0.2
144.05692	0.2
145.04971	0.6
145.06465	0.2
145.10095	0.1
147.97446	0.1
152.06213	0.3
153.07043	0.2
155.03423	0.1
157.04979	0.3
157.06502	0.5
157.10107	0.6
159.07979	0.1
164.68817	0.1
165.06984	0.3
166.07762	0.1
167.08565	1.1
169.06517	0.2
170.07285	0.4
171.08043	0.5
173.06000	0.1
177.07043	0.1
181.06506	0.1
183.08022	0.6
185.06029	0.1
185.09634	1.1
187.07463	0.4
189.05457	0.3
195.08032	1.2
197.06041	0.2
198.06781	0.3
199.07533	1.3
199.47014	0.1
201.09122	0.2
202.57849	0.1
205.08722	0.2
209.05986	0.3
211.07643	0.2
213.09097	48.9
214.09468	0.6
215.07133	0.2
217.08569	0.1
227.06955	0.4
231.06523	3.7
233.08092	0.2
245.08078	0.6
249.07585	5.9
259.06046	0.2
261.45319	0.1
265.06958	0.5
267.08624	30.4
268.08868	0.4
277.03973	0.1
277.07053	2.6
295.08115	2.8
305.11670	0.2
339.12189	0.1
355.11819	1.2
373.12848	1.9
383.11169	0.3
401.12274	1.4
495.30109	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	941.508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.5
69.03426	2.7
69.07070	0.7
69.36306	1.6
71.05000	0.6
73.02915	3.0
79.05499	1.7
81.03421	2.5
81.07053	2.7
82.31263	0.2
83.04987	0.3
83.08629	0.5
85.02907	5.4
87.04478	0.4
91.03959	3.4
91.05479	1.4
93.07033	2.5
95.04984	0.5
95.08611	2.0
97.02899	5.1
97.06509	0.2
99.04462	0.9
101.02374	1.6
103.04011	0.5
105.07059	0.9
107.08605	1.2
109.02917	0.7
109.06513	0.2
109.10188	0.6
115.03944	0.5
116.51385	0.3
119.08605	0.8
121.10159	1.1
123.08089	0.2
123.11764	0.3
127.03902	1.5
129.05508	0.3
129.07051	0.4
131.08588	0.7
133.10190	0.6
135.11703	0.5
145.04967	0.3
147.11710	0.7
149.09627	0.6
157.10172	0.2
175.11220	0.3
185.04294	0.8
193.12282	0.5
203.05350	0.6
225.15195	0.2
243.08429	1.7
261.22305	0.3
269.12424	0.5
283.15173	3.0
301.20276	0.3
305.08557	0.2
335.25970	0.7
337.27573	0.2
339.17737	0.3
347.09543	2.4
363.08945	0.4
365.10672	0.9
405.13690	5.8
469.20309	0.3
501.23105	4.2
519.29327	6.5
617.40161	0.3
663.28302	3.4
681.34497	7.8
779.45081	1.7
941.50757	100.0
942.51019	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	954.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	60.3
68.54876	0.5
69.03429	2.5
69.07073	13.5
69.84196	0.8
69.84590	1.9
71.05008	2.3
73.02915	4.2
77.03938	0.9
79.05499	38.5
81.03397	1.5
81.07060	59.5
83.04974	1.7
83.08624	7.6
85.02908	17.1
85.06538	1.9
87.39153	0.6
91.03965	11.7
91.05485	27.5
93.07050	46.8
95.04974	2.9
95.08612	50.9
96.04456	0.6
97.02901	10.3
97.06532	2.9
97.10187	3.2
99.04433	1.5
99.08092	1.2
105.04556	1.3
105.06318	0.5
105.07040	19.6
107.08600	26.3
109.02910	0.5
109.06544	1.4
109.10162	24.7
111.08086	1.9
111.11726	0.7
113.09624	0.7
115.03909	0.8
117.07014	8.5
119.08588	18.4
121.10151	23.0
123.08077	1.5
123.11723	8.8
125.09649	1.4
127.03906	4.4
129.07016	2.0
130.07822	0.8
131.08577	13.2
133.10139	14.4
135.08023	0.5
135.11691	14.7
137.09627	1.2
137.13251	2.8
139.11206	0.7
142.07777	0.6
143.08563	2.3
145.04974	6.8
145.10130	10.3
147.11702	12.3
149.09625	0.8
149.13264	10.4
151.11156	0.8
151.14848	1.1
157.10149	1.9
159.11700	9.8
161.13277	8.0
163.06038	7.5
163.14865	5.9
169.10114	0.8
171.11702	3.0
173.13275	8.0
175.14818	4.5
177.12749	0.6
177.16408	2.2
179.14375	0.9
182.19543	0.5
183.11714	0.6
185.13275	2.8
187.14828	3.8
189.16415	1.4
191.17908	0.6
197.13380	0.6
199.14871	1.6
201.16373	2.1
203.17966	1.1
211.14769	0.9
213.16504	1.0
215.17984	1.2
217.19557	0.8
219.17531	0.7
229.19659	0.5
231.21042	1.1
233.22659	0.8
241.19676	4.2
243.21088	5.9
257.19009	1.0
259.20569	11.5
261.22159	20.3
263.20847	0.6
263.23587	2.7
273.22250	0.9
277.21664	0.9
279.23090	0.8
285.22141	0.5
293.20847	0.6
297.24622	0.5
315.23175	1.2
317.24731	3.5
319.22952	0.6
321.24246	0.7
333.24265	9.9
335.25821	100.0
335.81894	0.5
336.26184	1.2
337.27399	13.4
355.26212	0.7
355.30283	0.6
361.27496	0.8
475.34125	0.7
497.30981	0.7
503.36578	1.1
503.43176	0.8
517.38593	0.8
521.43597	3.6
529.38818	1.0
531.40533	0.6
539.44464	1.3
543.39789	1.3
595.37366	0.6
595.47229	18.4
613.48291	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35513	2.0
69.03438	3.3
69.07073	18.1
71.04999	4.2
73.02917	3.9
76.53627	1.5
79.05500	58.2
81.03387	2.8
81.06588	3.4
81.07063	66.4
82.80073	1.8
83.04974	2.5
83.08629	9.8
83.21960	1.8
85.02912	17.0
85.06575	2.3
91.03953	9.9
91.05486	51.0
93.07048	70.0
95.04971	5.8
95.08611	53.4
97.02890	7.0
97.06544	2.8
97.10165	4.4
98.20729	5.8
105.04511	2.1
105.07034	47.7
107.08605	35.0
109.10151	23.4
117.07016	18.0
119.08590	44.3
121.10158	31.8
123.08092	2.1
123.11709	6.5
125.09669	4.0
127.03917	5.0
129.07016	10.0
131.08574	28.8
133.10139	43.7
135.11707	25.7
142.07840	1.9
143.08556	10.0
145.05005	5.1
145.10133	21.2
147.11707	31.5
149.13287	11.4
151.11115	2.6
153.07146	1.8
157.10127	8.1
159.11697	22.9
161.13269	19.6
163.06062	9.0
163.14816	5.6
169.10135	2.4
171.11729	10.2
173.13307	13.2
175.14836	11.7
183.11694	5.0
185.13261	9.3
187.14853	5.2
197.13396	2.3
199.14786	5.4
201.16388	2.7
213.16409	5.2
215.17995	2.0
231.21161	3.2
239.17892	2.4
241.19518	20.0
243.21123	3.1
257.19067	7.7
259.20605	55.3
261.22189	9.5
297.22272	2.4
299.13263	1.8
301.21671	3.0
315.23236	4.6
317.24500	2.2
331.22513	3.9
333.24274	51.5
335.25833	73.5
337.27383	5.2
351.25198	3.6
503.36508	2.4
519.41919	7.1
593.45764	17.4
611.46747	100.0
701.47906	4.1
719.48334	4.0
737.49939	4.9
755.50336	3.7
783.31763	2.1
790.33813	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	937.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.1
65.69535	0.1
66.92270	0.1
67.05505	2.0
69.03429	3.0
69.07076	0.6
69.64049	0.1
70.30017	0.4
71.01358	0.3
71.04990	0.4
71.08627	1.0
72.58846	0.1
73.02918	3.3
73.03312	0.2
79.05492	1.1
79.43891	0.1
79.86517	0.1
81.03416	1.4
81.07054	2.3
83.01324	0.1
83.04981	0.2
83.08623	0.6
84.76676	0.1
85.02902	5.1
85.10183	0.6
87.04456	0.5
91.03951	3.4
91.05487	0.7
93.07039	1.3
95.04959	0.1
95.08611	2.1
97.02892	5.6
97.10175	0.2
99.04431	1.0
101.02383	2.1
103.03979	0.3
105.07022	0.5
107.08595	0.8
109.02885	0.8
109.10156	1.1
114.12508	0.1
115.03901	0.5
117.05431	0.1
117.07005	0.2
119.08613	0.5
121.10136	0.6
123.11735	0.3
127.03914	1.6
129.05487	0.1
131.08592	0.1
133.10161	0.4
135.10777	0.1
135.11714	0.4
137.13257	0.1
145.04999	0.4
145.10135	0.2
147.11703	0.2
147.81920	0.1
149.13225	0.1
159.11667	0.1
161.13290	0.1
166.62326	0.1
173.13271	0.1
185.04216	1.1
200.90166	0.1
203.05220	0.6
203.36536	0.1
219.86034	0.1
239.23761	0.2
243.08406	1.9
245.06523	0.1
259.07892	0.1
261.22211	0.2
305.08582	0.2
313.27298	0.5
335.25754	0.5
336.64429	0.1
347.09488	2.2
363.09180	0.4
363.17319	0.1
363.25800	0.1
365.10483	1.2
365.14069	0.1
405.13666	6.0
497.30835	4.1
519.29291	5.9
659.36090	4.0
681.34503	6.5
775.53174	1.4
937.58551	100.0
938.58649	2.4
969.68823	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	937.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.8
69.03432	3.4
69.07066	0.7
71.08624	0.5
73.02922	3.6
79.05500	1.0
81.03414	1.4
81.07050	2.0
81.20013	0.2
83.08621	0.3
85.02903	5.4
85.03377	0.4
85.10210	0.5
85.86908	0.2
87.04456	0.5
91.03962	3.2
91.05474	0.6
93.07048	1.2
95.08607	1.9
97.02896	5.0
98.21501	0.8
99.04494	0.7
101.02377	1.9
103.03967	0.3
105.07032	0.8
107.08622	0.7
109.02884	0.8
109.10207	0.9
111.08125	0.2
115.03921	0.5
119.08640	0.4
121.10162	0.5
127.03928	1.2
135.11726	0.4
145.04987	0.3
145.10123	0.4
185.04271	0.9
189.11777	0.2
192.14975	0.2
203.05267	0.6
229.41078	0.3
243.08382	1.5
290.06345	0.3
313.27478	0.6
335.26050	0.5
347.09433	2.1
363.09076	0.7
365.10645	1.1
405.13690	5.6
497.30917	4.2
519.29291	6.1
626.10059	0.3
659.35968	3.5
681.34430	6.5
775.53088	1.9
937.58594	100.0
938.58521	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	936.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.9
67.05506	57.6
68.05831	0.7
69.03423	3.5
69.07069	13.0
69.96587	2.2
71.01353	0.6
71.05006	3.2
73.02912	2.2
77.03922	1.2
79.05494	41.5
80.60004	0.5
81.03419	79.6
81.07057	61.0
81.07445	0.6
82.03731	0.8
83.04966	4.8
83.08617	23.1
85.02908	8.0
85.06547	2.0
87.04451	0.7
91.03973	5.8
91.04501	0.8
91.04897	1.0
91.05480	35.0
93.07043	45.7
94.67277	0.6
95.04967	30.5
95.08607	46.3
97.02890	6.5
97.06534	4.2
97.10172	8.2
99.08102	1.9
103.05479	1.2
105.04549	0.7
105.06312	0.8
105.07032	26.0
107.04950	6.9
107.08597	29.7
109.02821	0.6
109.06526	5.9
109.10157	19.8
111.04430	2.9
111.08076	6.5
111.11713	0.8
115.05463	2.3
117.07020	8.4
119.04961	1.6
119.08585	21.6
121.06528	4.1
121.10143	24.4
123.04424	2.4
123.08082	4.2
123.11704	7.9
125.09638	5.0
127.03910	2.4
128.06227	1.2
129.06999	10.4
131.04860	0.8
131.08574	20.9
133.06509	3.7
133.10143	14.1
135.08041	2.8
135.11693	14.1
137.05994	1.1
137.09657	2.9
137.13274	1.8
139.11258	0.7
139.21088	0.7
142.07779	2.2
143.08580	2.8
145.04967	2.9
145.06534	0.9
145.10130	10.5
147.04387	1.7
147.08035	4.3
147.11693	13.7
149.09619	5.2
149.13255	8.2
151.11119	1.0
151.14746	0.9
153.09184	0.9
153.12737	0.9
155.08623	1.3
157.10135	11.0
159.08028	0.8
159.11673	8.1
161.09641	1.0
161.13249	6.9
163.06018	5.7
163.11185	3.4
163.14842	4.3
165.12755	2.2
169.10204	1.2
171.07918	0.6
171.10333	0.7
171.11668	3.0
173.09691	1.7
173.11890	1.2
173.13255	6.9
175.11194	8.0
175.14865	2.4
177.12700	0.8
177.16402	1.6
179.14313	0.8
181.10202	0.9
183.11758	1.1
185.09726	0.6
185.13251	1.4
187.11229	0.8
187.14772	4.0
189.11203	3.2
189.12759	1.9
189.16373	0.7
191.14354	1.2
193.12247	21.2
195.11760	0.8
195.13574	0.8
201.16338	1.4
205.12180	0.7
205.16029	0.6
207.13811	1.3
211.13300	2.1
211.14996	0.9
213.16521	0.8
217.12149	0.7
224.16360	0.6
227.12778	7.9
231.10078	0.7
233.22603	1.3
235.13200	2.9
237.14763	1.0
243.21053	6.6
249.14815	1.7
259.13339	1.8
259.20517	0.8
261.22147	23.6
267.15918	95.7
273.14734	1.7
277.99707	0.6
279.07440	0.7
279.23154	1.4
283.24133	0.6
285.17102	0.8
285.22272	0.9
287.20041	0.6
295.22861	0.7
301.14310	2.5
301.25211	6.3
307.19110	1.0
309.16919	5.0
317.24860	2.9
319.15482	0.9
327.23315	0.7
333.16922	1.7
335.25809	100.0
336.26178	0.9
337.27380	1.1
359.25803	1.1
373.27359	0.8
403.24551	1.0
407.24280	0.7
417.26282	1.5
417.31506	1.2
421.25821	3.8
425.33856	0.9
431.28226	0.9
435.27249	2.2
435.32553	6.6
447.26990	0.8
449.29071	1.4
453.33527	8.3
461.29025	1.5
471.34967	3.8
475.01929	0.7
497.30569	0.7
509.36646	2.9
527.37335	84.2
528.37561	2.2
541.38892	0.7
545.38373	88.4
546.38629	1.4
559.40009	3.8
569.38263	10.1
577.40729	2.1
587.39185	2.4
593.38324	0.9
611.39355	2.8
623.39398	3.2
635.39404	4.4
653.40649	3.1
671.41797	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	932.6309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.5
67.05506	31.3
69.03433	1.7
69.07077	9.2
70.48936	0.6
71.04989	0.6
71.08636	16.8
71.13017	1.3
73.02923	4.1
79.05495	16.5
81.03418	1.7
81.07058	37.6
83.08627	9.6
85.02908	15.8
85.06550	1.5
85.10188	9.8
89.06048	0.9
91.03954	8.1
91.05476	9.6
93.07042	23.1
95.04983	1.3
95.08611	35.3
96.04491	0.7
97.02880	9.0
97.06535	1.5
97.10155	5.0
103.07585	1.5
105.07043	8.4
105.31027	0.6
107.08595	14.1
109.02843	0.6
109.10161	16.5
111.11713	0.8
113.09639	1.0
117.07048	2.8
119.08590	6.7
121.10145	11.8
123.08103	0.8
123.11723	7.2
127.03898	4.8
131.08583	6.6
133.10138	6.1
135.11690	9.2
137.09608	0.8
137.13293	1.8
145.04988	4.9
145.05992	0.8
145.10123	5.9
147.11678	3.7
149.13246	5.7
151.14832	0.9
159.11681	4.7
161.13301	3.5
163.06061	6.6
163.14845	4.8
173.13257	5.5
175.14882	1.3
177.16451	1.9
187.14874	2.2
201.16380	0.9
233.22667	1.5
239.23761	2.6
243.21085	8.8
246.14462	0.8
257.24820	1.6
261.22159	42.9
279.23187	1.0
299.23993	0.8
313.27374	100.0
317.24686	5.8
335.25803	87.0
336.26120	1.4
416.85034	0.7
432.55045	0.7
499.45377	0.8
573.48785	49.3
581.79163	0.8
591.41022	0.9
591.49805	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	936.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	5.4
67.05507	71.4
69.03423	11.8
69.06732	2.4
69.07069	35.9
69.80566	5.6
69.80968	4.0
71.04980	10.3
73.02901	4.5
79.05497	70.1
81.03420	79.8
81.07056	78.0
83.04984	26.3
83.08623	37.6
83.66684	1.6
85.02429	3.3
85.02903	39.2
85.06514	7.4
91.03946	3.6
91.05483	74.4
93.07047	60.0
93.07626	3.4
95.04971	42.5
95.08604	32.2
97.02894	13.4
97.06534	19.4
97.10173	20.9
99.04435	2.5
99.08080	4.9
101.86494	1.9
105.03406	2.9
105.04504	2.5
105.07033	67.9
107.04958	18.8
107.07880	2.8
107.08599	46.3
109.02848	4.4
109.06515	10.0
109.10159	14.4
111.04417	2.6
111.08092	13.9
113.06023	3.0
115.05461	3.9
117.07022	19.3
119.05005	2.6
119.08575	49.9
121.06480	8.3
121.09338	2.2
121.10143	24.8
123.08083	9.7
123.11721	2.1
125.09627	16.8
127.03893	6.8
128.06192	2.3
129.07002	16.9
131.08563	30.1
133.06456	6.3
133.10132	39.6
135.08046	7.3
135.11696	12.9
137.09608	3.9
141.06978	4.0
142.07767	4.4
143.08554	4.5
145.04936	2.1
145.10132	19.3
147.08049	4.2
147.11685	29.7
149.09624	21.9
149.13237	7.7
153.08994	2.1
155.08568	3.1
157.10138	23.1
159.07813	1.9
159.11714	11.6
161.09616	1.9
161.13242	6.7
163.11171	9.7
165.12744	3.8
169.10156	3.3
171.11653	3.3
173.04434	2.2
173.11777	1.9
173.13210	4.2
175.11198	17.9
177.12766	5.3
179.14328	3.9
181.10121	2.2
183.11766	3.4
185.13286	2.7
187.11211	2.1
189.11217	9.2
193.12254	56.0
195.13696	2.1
211.13298	77.7
227.12787	25.7
228.66333	1.9
229.14328	3.6
229.19411	2.2
239.17952	3.6
252.14082	2.3
255.15662	3.6
257.18954	16.6
267.15936	41.7
269.17368	17.6
275.17010	2.4
275.20065	55.9
285.16980	91.2
293.20935	2.9
331.22620	2.9
349.23712	59.9
350.24359	2.1
375.17636	2.0
381.23123	2.2
413.21585	2.6
421.25702	2.1
437.25211	4.7
439.26624	6.5
447.27237	5.6
455.26175	8.0
461.29071	28.4
463.30478	2.6
465.28607	13.0
467.31970	2.3
479.30045	68.3
519.33136	2.3
523.34113	3.8
541.35187	43.3
559.36328	100.0
577.37396	10.7
599.29578	2.2
605.32623	3.2
623.33484	5.4
685.38403	2.1
703.40509	4.4
748.68359	2.1
783.25031	1.9
972.49481	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	920.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.4
65.85222	0.5
67.05508	47.7
69.03422	2.4
69.07073	8.3
71.04995	12.4
71.13316	0.8
71.13661	1.2
73.02910	2.0
73.06514	0.6
73.24729	0.6
79.05499	24.3
80.58117	0.7
81.03410	1.9
81.07061	66.3
83.04981	2.9
83.08633	5.6
85.02911	8.6
85.06552	6.1
86.00590	0.6
91.03953	3.8
91.05488	18.9
93.07051	26.6
93.07643	1.4
95.04974	2.7
95.08614	22.7
97.02900	5.0
97.06526	3.2
97.10172	2.9
99.04475	0.7
99.08061	0.8
105.07047	11.5
107.08602	17.3
107.22462	0.6
109.06510	1.3
109.10167	10.1
110.75234	0.6
111.08081	1.4
117.07023	3.7
119.08591	6.3
121.10155	11.7
121.11017	0.8
123.08095	1.8
123.11713	11.0
125.09625	1.2
127.03934	1.7
129.48102	0.6
131.08574	5.9
131.53094	0.7
133.10135	14.0
135.11699	8.5
137.09665	0.8
142.05757	0.6
145.04965	2.5
145.10103	3.9
147.11682	4.0
149.09615	0.8
149.13260	4.3
151.11169	4.9
159.11687	6.0
161.13261	2.7
163.06093	1.4
171.11670	0.8
173.11940	0.7
173.13300	2.6
175.14874	1.0
177.12794	1.4
183.13846	1.9
187.13315	3.2
187.14845	1.4
195.13707	1.6
211.13254	0.6
216.75977	0.7
217.02351	0.7
229.14320	0.9
237.09923	0.7
243.15909	0.7
257.17441	1.2
261.22177	2.3
269.17532	3.7
284.98041	0.6
301.20117	8.0
303.70084	0.6
335.25821	21.8
351.28989	1.0
411.32452	0.8
462.75009	0.7
485.36404	1.9
503.37350	62.3
504.37827	1.0
511.37778	1.2
515.09180	0.6
517.39038	1.6
529.38922	15.4
532.10455	0.7
547.40540	0.8
561.41547	100.0
562.41968	2.5
705.46155	2.3
920.48584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.6129
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05447	0.6
69.07021	0.1
71.17027	0.2
71.95206	1.6
72.05049	0.1
72.95982	0.5
74.97559	0.4
75.61999	0.1
79.05437	0.6
81.03353	0.4
81.07064	0.9
83.04910	0.2
83.08561	0.2
84.96053	0.9
85.02881	0.2
87.11974	0.1
91.05420	0.5
93.06979	0.6
94.07275	0.2
95.04958	0.1
95.08551	0.5
97.96786	0.9
97.99155	0.3
98.97520	0.6
105.00104	0.4
105.06966	0.3
107.04908	0.2
107.08517	0.5
109.10075	0.3
110.96864	0.3
110.97560	3.3
111.04424	0.2
112.99097	0.2
115.00700	0.2
115.97782	0.4
116.98549	0.5
117.06947	0.2
119.01659	0.2
121.10098	0.3
123.01128	0.4
124.99082	0.2
127.00632	0.2
128.98613	4.5
131.00111	0.3
133.10121	0.2
135.11641	0.2
137.02711	0.4
143.00198	0.8
143.03787	0.2
146.99655	2.8
151.00586	0.2
151.04181	0.1
152.00125	0.4
153.02249	0.2
155.03719	0.2
157.01668	0.2
161.01244	1.0
161.04829	0.5
165.00652	0.4
170.01176	0.4
170.02502	0.1
171.03279	0.9
175.02751	0.3
175.11014	0.1
179.02237	0.1
183.03221	0.3
183.06848	0.2
184.02736	0.2
185.04857	0.6
187.02803	0.2
189.04266	0.6
190.05180	0.2
191.05855	0.2
195.06990	0.2
197.04831	0.2
199.06445	0.2
202.28050	0.1
203.05865	0.7
205.07347	0.3
208.06017	0.2
209.04852	0.2
209.11710	0.2
217.07362	0.3
219.08890	0.3
221.04826	0.4
223.06258	0.2
223.08258	0.2
225.07953	0.5
227.09496	0.6
235.06355	0.3
237.10228	0.2
239.09451	0.2
241.11179	1.2
243.09001	0.2
244.09850	0.2
245.08398	0.5
245.10686	0.5
249.08061	0.3
252.10254	0.3
255.12683	0.4
259.12173	0.8
261.08005	0.3
261.22018	0.2
263.09567	2.1
264.10303	0.4
265.11090	0.8
267.15921	0.2
270.11591	0.2
277.11252	0.8
281.10614	0.4
282.11237	0.2
283.12262	0.3
285.11514	0.2
286.11279	0.2
289.11115	0.4
291.12863	0.2
301.16501	0.2
303.12683	1.5
305.14050	0.2
313.14825	1.3
315.16309	47.2
316.16592	0.6
317.14343	0.4
321.13727	0.3
326.14221	0.2
331.15848	2.2
333.17365	100.0
334.17654	0.9
335.25885	0.7
336.26254	0.3
341.49936	0.2
347.18875	0.2
349.16556	0.2
351.18439	12.5
352.19098	0.2
354.17392	0.2
356.18982	13.6
357.19226	0.4
374.20035	6.4
375.20081	0.3
397.21750	0.3
527.37292	0.3
544.37708	0.3
545.38483	0.2
562.38586	0.3
591.37231	7.9
592.37921	0.2
609.38318	3.7
627.39410	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	919.524
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.1
69.03423	2.4
69.07084	0.7
70.58610	0.4
70.58944	0.8
71.01369	0.4
71.05003	1.1
71.08647	1.1
73.02920	3.6
79.01537	0.3
79.05513	1.1
81.03429	3.1
81.07059	2.2
83.04977	0.5
83.08628	0.9
85.02912	4.2
91.03955	2.7
91.05486	1.4
93.07046	0.8
95.04989	0.5
95.08604	1.7
97.02897	4.0
99.04494	0.7
101.02363	1.7
101.05961	0.4
105.07066	0.9
107.08631	0.8
109.02891	0.7
109.10167	0.9
119.08625	0.5
121.10177	1.0
127.03956	1.5
131.08630	0.6
133.10146	0.5
145.05066	0.3
147.11719	0.8
149.09686	1.0
157.10201	0.7
158.26292	0.3
174.43773	0.3
175.11205	0.6
185.04289	0.9
193.12302	0.7
203.05312	0.6
243.08623	1.3
249.15401	0.3
267.15961	0.6
274.88257	0.4
283.15332	2.1
313.27487	0.6
339.17935	0.8
347.09503	2.8
365.10400	0.8
405.13660	5.6
469.20859	0.4
497.30890	5.1
501.23068	10.7
536.20380	0.3
595.42010	0.5
659.36212	5.6
663.28387	9.9
663.39526	0.6
717.52136	0.4
757.47083	3.4
919.52374	100.0
920.53467	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	4.3
67.05186	2.9
67.05508	34.7
69.07066	7.1
69.72234	16.3
71.04990	5.3
72.16228	2.8
79.05499	37.6
80.02254	3.1
81.03003	3.1
81.03429	34.6
81.07055	36.1
83.04965	12.5
83.08600	10.4
85.02919	19.6
91.03950	4.0
91.04970	4.3
91.05488	46.4
93.07054	36.6
95.04436	3.0
95.04963	17.9
95.08605	24.1
97.02891	6.5
97.10226	4.3
105.07034	52.2
107.04963	6.1
107.08599	23.1
109.06516	5.1
109.10137	11.2
111.08054	4.7
113.15173	3.1
115.05390	2.9
117.07010	13.4
119.08581	39.4
121.10143	16.6
123.08064	5.5
123.11658	4.4
126.35046	3.0
129.07036	16.4
131.08566	26.2
133.10153	26.5
135.11673	11.5
137.09645	5.1
143.08545	5.3
145.10153	15.9
147.11703	32.4
149.09642	6.1
149.13260	6.8
155.08501	3.4
157.10167	11.8
159.11696	14.0
161.13205	17.9
171.11711	9.1
173.13205	7.5
175.11139	8.9
175.14798	6.9
185.13235	6.8
187.14876	5.2
189.11140	3.7
193.12257	24.4
197.13167	4.4
211.13277	30.6
229.14394	3.3
231.21123	4.6
241.19469	19.5
257.18774	3.9
259.20575	54.0
267.15897	15.9
275.19830	3.3
285.16968	38.6
285.20062	3.6
285.21310	2.8
296.33154	4.1
315.23059	5.9
333.24203	43.7
335.25943	3.1
433.31058	6.8
451.32281	5.6
469.32843	5.7
515.37482	4.0
525.35651	38.8
543.36816	100.0
544.36536	4.8
561.37744	8.8
596.41510	4.0
687.40692	6.1
758.46881	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	914.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	10.5
69.03399	1.5
69.07068	5.3
71.04973	1.0
71.08632	15.9
73.02884	1.5
78.11565	0.4
79.05489	5.3
81.03419	48.0
81.07056	12.9
82.03706	0.4
83.04971	3.2
83.08617	15.4
85.02912	4.2
85.06518	0.7
85.10184	11.0
89.05993	1.5
91.03968	3.7
91.04990	0.5
91.05489	8.3
92.82971	0.4
93.07053	4.0
95.04972	14.8
95.08608	14.3
97.02885	3.7
97.06510	1.0
97.10162	4.2
98.21501	1.2
99.11682	0.6
103.07540	1.3
105.06384	0.6
105.07030	7.0
107.04961	2.8
107.08628	2.3
109.02875	0.5
109.06491	1.8
109.10153	6.9
111.04428	1.4
111.08086	4.4
111.11678	1.0
115.05444	0.8
117.06974	0.8
119.04887	0.7
119.08586	7.5
121.06480	1.7
121.10145	3.4
123.04408	1.3
123.08065	0.7
123.11710	3.1
125.09609	0.9
127.03912	1.1
129.07007	6.0
131.08566	4.8
133.06447	1.8
133.10123	2.5
135.11662	0.6
137.09593	1.0
137.13193	1.2
142.07745	1.7
145.04958	2.0
145.10123	0.8
147.04347	0.6
147.08066	1.4
147.11688	5.8
149.09625	3.3
157.08936	0.7
157.10129	6.8
163.06041	3.2
163.11125	0.8
165.12674	1.1
175.11200	7.1
189.12726	0.5
193.12247	22.0
207.13660	0.5
211.13315	1.0
235.13264	1.3
239.23708	2.5
249.14894	1.3
257.24747	1.6
259.13309	1.4
267.15918	100.0
268.16165	0.8
273.14856	1.0
301.14386	1.7
309.16885	2.4
309.22943	0.4
313.27368	96.8
314.27753	0.9
319.15393	0.7
333.17053	0.9
337.16324	0.5
375.18295	0.5
505.38892	84.3
506.39261	1.7
523.39899	3.2
547.39941	6.4
547.47827	0.6
555.40076	0.5
565.41113	0.7
589.40790	1.1
591.95166	0.4
601.41156	3.1
608.00311	0.5
613.41107	1.4
631.41663	2.5
649.42926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	3.0
69.03432	3.4
69.07073	0.9
71.01358	0.5
71.05007	0.4
71.36012	0.4
72.76298	0.2
73.02914	3.1
74.31437	0.2
75.01839	0.2
77.76639	0.2
79.05510	2.5
81.03429	1.9
81.07059	3.1
82.07439	0.3
83.05022	0.5
83.08623	0.6
85.02911	6.0
87.04526	0.3
91.03963	3.0
91.05489	1.6
93.07048	3.3
95.04987	0.7
95.08611	2.8
95.14198	0.2
97.02899	6.2
97.03528	0.4
99.04448	1.1
101.02401	1.6
103.03938	0.3
105.07039	1.3
107.04967	0.5
107.08604	2.0
107.99649	0.2
109.02912	0.9
109.10191	0.8
115.03948	0.3
117.07027	0.4
119.08624	0.9
121.10178	0.9
123.11748	0.3
125.05971	0.3
126.06741	0.2
127.03921	1.6
131.08571	0.5
133.10184	0.6
135.11676	1.8
136.12048	0.2
145.05083	0.4
145.10147	1.0
147.11699	0.2
149.13341	0.3
152.88966	0.2
154.96783	0.2
163.11208	1.8
168.92909	0.2
181.12238	0.2
185.04211	0.5
193.12349	0.2
203.05368	0.6
208.61026	0.2
227.12790	1.2
243.08455	2.2
249.11005	7.6
305.13635	1.2
335.25922	1.2
336.26202	0.5
337.26617	0.3
347.09491	2.5
363.09039	0.6
365.10858	0.8
405.13702	5.8
405.18594	0.4
463.22827	0.5
467.18869	5.7
504.37756	0.3
519.29272	6.7
546.38580	0.4
547.39429	0.4
548.39636	0.5
561.18250	0.2
583.36316	0.4
629.24146	3.4
681.34619	8.3
745.41382	1.9
874.52576	0.3
907.46637	100.0
908.47217	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	909.482
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.3
69.03432	3.0
69.07076	0.5
69.26698	1.8
71.01361	0.4
71.04998	0.6
73.02925	3.7
79.05498	2.0
81.03426	2.5
81.07067	2.3
83.01349	0.3
83.04985	0.5
83.08646	0.6
85.02914	6.5
87.04479	0.4
87.83241	0.2
91.03959	3.2
91.05476	1.8
93.07045	1.8
95.04951	0.8
95.08625	1.7
97.02901	5.1
97.06557	0.2
97.10143	0.2
99.04481	0.9
103.03973	0.4
104.58393	0.2
105.07057	1.0
107.05014	0.4
107.08595	0.9
109.02875	1.0
109.10175	0.5
111.08096	0.4
115.03937	0.4
117.07021	0.3
119.08633	0.8
120.17431	0.2
121.09369	0.3
121.10145	1.1
127.03931	1.5
129.07045	0.3
129.74927	0.2
131.08647	0.6
133.10135	0.8
135.11684	0.3
145.04980	0.3
145.10139	0.3
147.08072	0.2
147.11751	0.6
149.09654	0.3
157.10144	0.4
161.13329	0.2
173.13123	0.3
175.11278	0.5
185.04254	1.0
193.12231	1.1
203.05316	0.7
211.13455	0.4
241.06892	0.2
243.08472	1.7
251.12703	0.8
269.12460	0.3
285.16895	0.2
307.15231	0.4
335.25964	0.5
347.09467	2.5
363.09122	0.5
365.10760	0.8
405.13702	5.2
469.20499	6.3
519.29315	3.7
631.25720	5.4
631.35858	0.3
681.34528	3.5
739.37512	0.4
747.42883	1.6
909.48242	100.0
910.48663	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	910.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51448	0.7
65.03947	1.0
67.05506	13.7
69.03425	3.7
69.07070	6.5
69.24323	1.7
69.24725	5.8
71.04984	2.9
71.08636	14.8
73.02913	2.5
77.04483	0.8
79.05497	11.6
81.03414	30.2
81.07054	20.3
83.04976	7.7
83.08619	17.8
84.40216	0.7
85.02903	20.4
85.06540	1.2
85.10189	9.8
86.67039	0.8
91.03967	5.9
91.04429	0.8
91.05479	17.6
93.07040	8.1
95.04967	13.0
95.08606	15.6
97.02885	6.2
97.06521	2.6
97.10181	5.6
99.08111	1.0
103.07613	1.0
105.07030	10.4
107.04961	3.5
107.08591	3.9
109.06537	2.4
109.10161	5.7
111.04398	1.2
111.08074	5.3
111.11715	1.6
113.06020	1.5
115.05472	1.1
117.07005	1.5
119.08577	11.5
121.06493	1.2
121.10152	4.9
123.08091	1.6
123.11721	2.0
127.03950	1.7
129.07008	6.5
131.08549	6.3
133.06468	1.5
133.10155	6.3
136.95741	0.7
137.09647	1.2
142.07764	1.9
144.60120	0.8
145.04959	2.5
147.08058	1.6
147.11673	8.9
149.09634	2.9
157.10127	8.0
163.06023	2.2
165.12799	1.5
175.11171	9.6
175.12531	1.2
193.10431	1.3
193.12236	25.8
208.08032	0.8
211.13286	37.8
267.15909	14.5
285.16962	56.9
285.27802	1.1
286.17560	0.9
320.69745	0.8
341.30490	56.7
342.30957	1.0
418.50867	0.8
533.42126	14.6
551.43091	100.0
552.43195	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.1
66.04726	0.2
67.05506	34.3
69.03432	3.5
69.07069	9.2
69.35300	1.8
71.01344	0.4
71.04994	2.7
73.02921	2.7
73.06546	0.4
74.09079	0.2
77.03914	0.4
79.05494	27.9
81.03419	32.3
81.07058	35.7
83.04981	7.4
83.08620	13.2
85.02908	20.3
85.06550	1.6
87.04453	0.4
91.03954	5.2
91.05481	24.3
93.03381	0.3
93.07046	29.8
95.04971	14.3
95.08609	24.9
96.04533	0.4
97.02892	5.7
97.06535	2.9
97.10182	3.3
98.21452	0.6
99.04443	0.7
99.08096	1.1
103.05473	0.5
105.04521	0.8
105.07032	18.3
107.04962	3.0
107.08596	14.0
109.02903	0.6
109.06509	2.9
109.10157	8.4
111.04438	1.4
111.08084	5.2
111.11700	0.4
113.06004	1.2
115.03917	0.4
115.05450	0.9
117.07034	3.6
119.04919	0.4
119.08584	14.6
121.06502	1.1
121.10146	14.0
123.08092	2.1
123.11711	3.0
125.09639	1.3
127.03905	1.8
127.07547	0.4
128.06212	0.5
129.07016	5.7
131.08571	10.6
133.06509	1.6
133.10138	9.4
135.08104	0.7
135.11691	6.9
137.02252	0.2
137.09610	1.6
137.13281	0.9
139.11169	0.3
141.06996	0.3
142.07802	1.5
143.08569	0.7
145.04962	2.2
145.10121	4.4
147.08055	1.6
147.10493	0.5
147.11687	10.4
149.09605	2.7
149.13251	3.3
151.11153	0.6
155.08586	0.5
157.10127	8.1
159.11685	2.7
161.13304	1.9
163.06032	2.3
163.11223	0.9
163.14850	1.3
165.12737	1.6
169.10081	0.5
171.11690	0.6
173.13266	2.6
175.11194	6.9
175.14839	1.0
177.16406	0.7
183.11700	0.5
185.13211	0.7
187.14848	0.9
189.11273	0.5
189.16272	0.3
193.12250	20.7
197.13289	0.3
201.16345	0.6
211.13293	30.4
212.13615	0.3
227.12759	0.7
229.14215	0.4
233.22675	0.3
243.15807	0.3
243.21072	2.2
249.14793	0.5
259.20584	0.4
261.22162	7.9
265.14355	0.3
267.15909	9.0
279.23093	0.5
283.15598	0.5
285.16968	41.4
299.23764	0.4
301.25299	0.5
317.24701	2.3
335.25806	61.0
336.26083	0.7
341.24738	0.3
359.25461	0.4
417.31396	0.4
429.21017	0.3
435.27658	0.3
435.32687	1.9
453.33743	1.5
460.44434	0.3
471.34497	1.0
509.36108	0.7
527.37360	12.8
545.38385	100.0
546.38922	2.0
563.39246	0.8
569.38770	0.2
600.17834	0.2
689.42200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.4
67.05507	37.4
69.03442	4.1
69.07064	8.3
69.43184	1.1
69.43606	1.9
71.04995	3.3
71.08607	0.5
73.02539	0.4
73.02916	3.0
77.03886	0.7
79.05493	30.2
81.03419	41.5
81.07057	40.8
83.04982	10.7
83.08620	14.8
85.02907	24.6
85.06518	1.3
85.48260	0.4
87.04451	0.4
91.03958	6.3
91.05481	27.4
93.07045	28.1
95.04967	17.7
95.08607	27.5
96.04476	0.5
97.02315	0.5
97.02892	8.6
97.06534	3.0
97.10178	3.5
98.21524	0.9
99.08057	1.3
103.05419	0.5
105.04490	0.6
105.07032	19.1
107.04961	4.5
107.08594	15.2
109.02892	0.5
109.06520	3.9
109.10157	9.3
111.04402	1.4
111.07401	0.4
111.08086	7.0
113.05952	1.2
115.03944	0.4
115.05437	0.9
117.07015	3.2
119.08578	17.4
121.06475	1.2
121.10143	14.5
123.08061	2.0
123.11720	3.5
125.09642	2.0
127.03934	2.5
128.06190	0.5
129.07013	7.2
131.08572	12.2
133.06476	1.6
133.10138	11.8
135.08020	0.7
135.11694	6.0
137.09566	1.3
137.13245	1.0
141.06929	0.5
142.07739	1.7
143.08519	1.0
145.04936	3.4
145.10115	4.8
147.08076	2.1
147.11694	10.7
149.09595	4.3
149.13257	3.7
151.11130	0.8
155.08510	0.6
157.10120	9.7
159.11702	2.5
161.13268	2.1
163.06036	3.5
163.11176	1.3
163.14781	1.6
165.12735	1.8
166.42288	0.4
171.11667	1.2
173.13226	2.6
175.09775	0.8
175.11197	10.6
175.14746	0.7
177.16333	0.5
187.14784	1.4
189.11185	0.6
193.12245	28.7
197.13206	0.6
211.13289	52.9
227.12817	1.6
229.14427	0.5
235.09796	0.4
243.21086	2.4
249.14793	0.6
261.22125	7.9
267.15927	13.4
283.15558	0.7
285.16968	61.6
299.23685	0.5
301.25275	0.6
317.24670	2.5
335.25800	55.5
336.26141	0.6
407.33304	0.6
421.25681	0.5
435.32663	1.8
453.33630	1.6
471.34619	1.4
509.36649	1.1
521.13794	0.5
527.37292	14.3
528.62976	0.5
545.38379	100.0
546.38843	1.4
563.39172	1.5
614.46375	0.5
689.42487	0.8
703.17792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.2
67.05508	28.6
67.74274	0.6
68.99766	0.7
69.03428	1.9
69.07067	7.1
71.04995	2.8
73.02927	1.9
79.05498	22.2
81.03422	24.3
81.07060	29.0
83.04977	5.7
83.08627	11.1
85.02908	13.4
85.06562	1.0
89.90081	0.7
91.03972	3.7
91.05485	17.3
93.07049	23.8
93.07635	1.4
94.07362	0.8
95.04973	11.9
95.08611	20.7
96.04415	0.6
97.02897	4.1
97.06541	2.2
97.10168	2.2
98.21557	1.0
98.63585	0.6
99.08122	0.7
105.07034	14.4
107.04949	2.4
107.08600	13.5
109.02863	0.7
109.06509	2.2
109.10162	7.8
111.04452	1.2
111.08080	4.6
113.06031	1.1
117.06979	3.3
119.08589	12.4
120.09000	0.7
121.10140	12.5
123.08109	1.7
123.11728	2.6
125.09664	1.3
129.07010	4.3
131.08578	8.9
133.06538	1.2
133.10143	8.4
135.08115	1.1
135.11696	7.4
137.09705	0.7
145.04955	1.0
145.10069	4.0
147.08006	1.3
147.11684	8.9
149.09654	3.6
149.13254	2.4
151.11186	0.7
157.10144	4.9
159.11708	2.8
161.13217	1.2
163.06027	0.9
163.11206	2.8
163.14876	1.0
164.11578	1.0
165.12825	1.9
173.13264	1.2
175.11211	5.9
175.14867	0.9
187.14792	0.7
189.11336	0.7
193.12245	15.7
211.13306	20.1
211.15280	1.0
227.12839	2.0
228.13193	1.0
229.14748	0.8
243.21133	2.2
261.22165	5.2
267.15924	7.2
283.15530	2.0
284.15918	1.2
285.16974	25.2
316.53336	0.8
317.25082	0.9
335.25809	43.8
336.26361	3.2
337.26434	1.1
354.44278	0.7
435.32813	1.3
453.33673	1.4
471.35086	0.9
517.38666	0.7
527.37189	9.7
544.37152	1.9
545.38379	100.0
546.38995	2.0
563.39178	1.1
689.42072	1.2
904.48553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.5
67.05505	30.4
69.03429	1.2
69.07069	8.9
71.04995	2.1
71.54118	0.2
73.02916	1.6
77.03915	0.5
78.04710	0.3
79.05493	28.0
81.03403	1.2
81.07056	32.5
83.04972	2.6
83.08620	6.8
85.02905	3.0
85.06531	1.0
85.52226	0.2
87.04461	0.4
89.09131	0.2
91.03960	1.2
91.04903	0.7
91.05478	11.4
93.06588	0.5
93.07042	37.6
95.04975	4.8
95.08606	39.0
97.02885	3.9
97.06531	3.1
97.10178	1.6
99.04465	2.6
99.08099	0.6
102.23811	0.2
103.05488	0.5
105.04517	0.7
105.07036	8.5
107.04957	5.0
107.08593	24.6
109.02882	0.5
109.06506	1.5
109.10157	9.2
111.04451	0.9
111.08074	1.2
113.06004	0.4
113.09630	0.4
113.14332	0.2
115.05476	0.2
117.07016	6.7
119.08578	10.1
121.06500	3.6
121.10143	16.8
123.04328	0.2
123.08063	0.9
123.11717	2.6
125.05983	1.8
125.09632	0.4
127.03918	0.3
129.07082	0.5
130.07787	1.0
131.08565	3.8
133.10130	5.2
135.08102	1.5
135.11693	36.9
137.09673	0.7
137.13277	0.9
139.07578	1.2
143.08554	0.6
145.04976	0.4
145.10124	20.3
146.10533	0.3
147.11691	2.4
149.09668	0.3
149.13255	2.8
151.11169	0.3
153.12837	0.4
159.11713	2.3
161.13280	2.1
163.06013	0.6
163.11179	41.1
163.14854	1.1
164.11531	0.3
173.09641	0.5
173.13289	2.0
175.14862	0.8
177.16411	0.6
181.12227	7.2
185.85411	0.3
187.14885	0.8
191.14235	0.3
197.94017	0.2
209.11838	1.0
227.12781	43.8
228.13161	0.3
243.21092	2.0
261.22147	7.5
270.26529	0.2
283.15393	53.1
284.15836	0.4
317.24719	2.1
335.25793	95.0
336.26236	1.4
543.36816	100.0
544.37183	2.5
561.37775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	1.7
67.05508	33.8
69.03425	2.7
69.07068	9.5
69.36813	2.1
69.37234	1.9
69.59363	0.5
71.05003	3.3
71.05296	0.6
71.05849	0.5
71.08600	1.1
72.36240	0.6
73.02922	5.0
77.03918	0.5
79.00707	0.6
79.05495	29.6
80.05766	0.7
81.03000	0.6
81.03418	9.1
81.07057	39.5
83.01355	5.8
83.04984	7.5
83.08168	0.7
83.08620	11.5
85.02908	16.9
85.06525	1.4
85.10145	0.6
87.04442	0.6
91.03957	9.8
91.05486	17.7
93.07044	37.6
95.04975	5.4
95.08610	28.8
96.04475	0.6
96.08920	0.7
97.02313	0.7
97.02893	9.4
97.06547	4.0
97.10182	3.1
99.04449	3.1
99.08063	0.8
103.05421	0.7
105.04497	0.8
105.07033	13.5
107.04971	4.9
107.08597	21.2
109.02856	0.8
109.06513	5.4
109.09486	0.9
109.10157	12.2
111.04417	2.0
111.08047	2.1
117.07024	8.7
119.08585	13.1
121.06528	3.3
121.09335	1.0
121.10146	15.0
123.08069	5.3
123.11697	3.5
125.05927	0.6
125.09647	2.7
127.03930	3.0
129.06982	2.2
130.07765	1.1
131.08577	9.3
133.10132	6.9
135.08017	2.4
135.10706	0.9
135.11700	16.2
137.09587	2.2
137.13249	1.2
139.07504	0.7
139.11134	0.5
143.08551	1.3
145.04932	4.6
145.06363	0.9
145.09074	1.0
145.10129	15.3
145.11891	0.8
147.08008	1.7
147.11705	4.7
149.09599	0.8
149.13272	5.3
151.11203	0.9
151.14917	0.6
151.78883	0.5
153.12772	3.3
155.08534	1.3
157.10146	1.3
159.11690	4.5
161.13234	3.3
163.06041	4.9
163.11179	19.3
163.14790	3.0
166.62439	0.5
171.10262	0.6
171.11700	1.7
173.09639	2.8
173.13252	4.6
175.14827	1.4
177.16496	1.0
181.12221	3.5
183.11772	0.8
185.13268	1.3
187.14839	2.9
189.11171	2.8
189.16388	0.7
191.10658	2.3
193.12248	2.4
209.11673	5.0
211.13261	1.9
225.16620	0.6
227.10570	0.8
227.12782	12.7
241.19571	1.3
243.21098	5.0
245.13904	1.1
259.20547	2.0
261.22144	16.6
267.15912	4.8
268.16190	1.4
273.22220	0.9
277.21689	0.8
279.23169	0.7
283.15402	88.8
284.15579	1.0
285.17072	0.9
297.22122	0.6
299.23663	4.9
313.27478	1.6
314.27585	2.0
315.23608	0.6
317.24783	5.2
333.24179	3.2
334.13950	0.5
335.25797	88.0
336.26205	1.5
355.42825	0.5
415.30170	0.7
425.18097	0.7
433.31091	2.3
435.27490	0.6
451.32123	3.7
469.33496	3.5
487.34229	1.9
505.38678	1.0
506.39059	1.3
507.39758	1.3
515.37250	1.6
517.35449	0.9
525.35760	7.4
543.36829	100.0
544.37164	1.6
561.37891	6.7
619.86389	0.7
698.81866	0.6
705.41608	0.7
771.04626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.5
67.05505	27.7
69.03423	1.1
69.07064	6.8
71.04989	0.7
71.08614	1.0
73.02912	1.2
79.05498	31.3
81.03406	3.2
81.07058	25.7
83.04982	6.2
83.08615	4.0
84.72711	0.8
85.02893	3.6
85.06554	1.5
86.42963	0.8
91.03948	2.1
91.05482	22.1
93.07045	33.5
93.07646	1.6
95.04958	7.4
95.08605	19.2
97.02898	1.9
97.06532	2.1
97.10181	1.9
104.11133	0.8
105.04494	1.4
105.07031	17.8
105.79559	0.7
107.04955	2.4
107.08585	9.7
109.06526	2.6
109.10150	6.9
111.08054	1.3
117.07030	3.8
119.08585	11.8
121.06512	1.4
121.10149	9.0
123.08066	2.4
123.11704	2.1
128.06267	1.0
129.05466	0.8
129.06984	5.3
131.08586	3.5
133.10130	7.6
135.08015	1.1
135.11710	3.7
143.08533	3.4
145.10175	4.2
147.11690	11.6
148.41641	0.8
149.13252	2.9
157.10065	1.1
159.11711	1.3
161.13266	4.7
171.11671	7.9
173.13274	0.9
177.26694	0.9
189.12741	2.0
202.47853	0.9
207.13809	6.0
243.20990	1.3
245.39276	0.9
261.22183	3.6
279.16058	1.4
281.17468	21.8
301.16559	2.3
313.27444	2.9
314.27740	1.6
335.25809	33.9
540.39252	1.0
541.38928	100.0
542.38934	2.4
559.39685	1.5
637.83319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.6
67.01890	0.5
67.05508	1.5
68.99789	11.2
69.00172	0.6
71.24380	0.4
72.31845	0.5
74.74044	0.4
77.03935	0.5
81.03437	4.2
83.04967	0.9
85.02911	0.8
91.05466	0.9
93.03393	0.7
95.04964	2.3
97.02872	0.6
98.93462	0.4
99.04432	0.5
105.03394	1.9
105.07051	0.5
107.04954	1.0
109.02885	9.8
111.00814	12.9
111.04435	1.3
115.05463	0.5
119.04941	1.7
121.02853	2.3
123.04433	34.0
127.03922	77.3
128.04253	0.5
131.04956	0.7
133.02867	5.2
133.06493	0.6
135.04430	3.5
137.02397	1.3
137.05978	1.1
139.03909	87.3
140.04208	0.5
145.06514	1.3
147.04413	11.7
149.02338	7.0
149.05978	0.5
150.03133	1.2
150.63896	0.4
151.03909	57.1
152.04549	0.6
153.01816	2.5
153.05464	1.1
155.03384	13.9
157.02841	0.6
157.06511	1.2
158.18159	0.5
159.04437	1.9
161.02342	1.1
161.05984	2.8
163.03922	7.2
165.01897	0.8
165.05522	6.0
167.03404	3.7
169.04959	2.4
171.04402	3.1
173.06004	1.6
175.03911	12.1
177.01897	0.8
177.05478	7.9
179.03404	56.4
181.04968	2.0
183.04411	1.1
185.06000	1.7
187.03891	1.5
189.01927	0.5
189.05481	6.8
191.03407	10.7
193.04994	3.5
197.05995	0.9
199.03888	5.9
201.05533	5.3
203.03404	24.3
205.04991	2.0
207.06552	1.0
211.03995	1.2
213.05496	6.7
215.03394	2.2
215.07065	0.9
216.04141	0.8
217.04951	7.9
219.02898	1.0
219.06522	2.3
221.04504	1.5
223.02338	3.1
225.05470	0.8
227.03352	1.8
228.04128	0.6
229.04985	8.4
231.03017	0.8
231.06505	3.3
233.04445	6.9
235.06065	0.5
237.05502	0.9
241.04990	5.3
243.02885	0.5
243.06628	1.2
245.04462	100.0
246.04855	1.0
247.02332	0.7
247.05952	4.8
251.05540	1.3
253.04955	1.7
257.04477	21.6
258.05154	1.4
259.06064	5.1
263.05521	41.9
265.05121	0.6
269.04449	7.2
271.06015	4.2
273.03976	0.7
273.07492	0.9
274.04739	0.6
275.05502	27.0
277.07092	6.8
279.06580	1.0
281.04501	1.7
283.05969	0.9
285.03976	1.2
285.07425	0.6
287.05502	67.4
288.05783	0.6
289.07037	1.6
291.08643	17.2
291.12015	0.8
293.04642	0.6
293.08087	0.6
295.05942	1.2
297.03922	2.0
299.05521	17.2
301.07327	1.0
303.08865	0.7
305.06543	36.2
307.05914	1.3
309.03979	2.0
311.05444	1.4
313.06998	0.7
317.02878	1.1
317.06573	19.4
321.04028	0.7
321.07513	1.5
323.05466	1.4
327.04993	1.2
329.06580	2.2
331.06079	1.0
335.05353	0.9
337.07184	0.7
339.05008	2.2
347.07797	1.0
349.07330	2.4
351.05142	2.7
363.04999	1.0
367.07852	0.6
375.04718	0.7
377.06604	1.4
379.08038	0.6
381.06082	1.6
391.08405	0.6
393.05969	5.6
395.07657	1.7
399.07114	2.1
399.29010	0.5
405.06104	6.6
407.07645	1.4
409.09204	5.7
411.06827	1.9
413.08734	7.6
417.05899	1.5
419.07895	0.6
421.09311	0.8
423.07108	27.8
425.08740	12.6
427.10281	6.4
431.09723	0.8
433.08704	0.5
435.07162	4.0
437.08667	1.5
441.08182	17.6
443.09744	27.2
447.06836	1.5
451.10107	1.9
453.08209	5.7
455.09821	2.4
465.08197	3.9
469.11191	1.9
483.09265	0.8
543.08929	0.8
545.11053	2.5
549.10956	0.6
561.10620	2.4
567.11194	2.9
573.10181	2.7
577.13452	0.8
591.11298	1.5
595.14386	9.1
605.12616	1.3
609.12439	2.8
713.15198	2.5
731.16187	4.1
893.19312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.8
68.99792	10.8
71.56329	1.2
81.03419	5.6
85.02917	1.5
91.05463	2.5
93.03383	1.2
95.05015	1.4
104.37604	1.1
104.51022	1.1
105.03370	2.8
109.02881	16.8
111.00819	9.6
111.04440	3.4
119.04947	3.4
121.02883	2.1
123.04431	54.6
127.03922	80.5
129.06981	1.2
131.04939	1.4
133.02815	8.5
135.04454	4.9
137.02284	1.7
139.03903	100.0
147.04422	17.0
149.02330	7.8
150.03134	1.7
151.03909	84.0
153.01889	2.4
155.03394	25.3
155.04846	1.8
157.06555	1.3
159.04330	1.4
161.05963	4.0
163.03903	11.4
165.01942	1.7
165.05536	7.4
167.03345	2.7
171.04463	3.5
173.06020	2.0
175.03914	14.8
177.05469	7.8
179.03401	71.6
181.04987	3.9
183.04358	1.1
185.05992	2.9
187.03952	1.8
189.05508	8.4
191.03400	9.1
193.04962	6.2
199.03905	6.4
200.04822	1.5
201.05482	5.2
203.03384	26.5
203.06992	1.1
205.05087	1.2
207.06531	2.2
211.03899	1.4
213.05466	9.4
215.03398	3.4
217.05008	11.4
219.06450	1.3
221.04472	2.2
223.02432	4.5
227.03372	2.8
229.04947	10.7
231.06552	5.3
233.04492	4.5
237.02925	1.3
241.04924	9.3
245.04465	69.0
247.06116	5.3
253.05186	1.6
255.02992	1.6
257.04453	32.3
257.07104	2.2
258.05148	3.3
259.06076	9.9
263.05518	45.3
269.04398	9.4
271.05905	5.7
273.07516	1.4
275.05496	27.4
277.07062	10.0
281.04492	3.0
283.06085	2.0
285.03964	2.5
287.05502	90.5
289.07098	3.2
291.08649	15.0
295.06006	2.5
297.03867	2.5
299.05527	23.5
301.07050	2.5
303.08698	1.7
305.06577	50.4
309.04138	2.1
311.05472	3.0
317.06519	16.3
321.04117	2.4
329.06458	4.9
331.06049	1.4
333.09677	2.4
347.07895	1.6
349.07172	1.9
351.05048	1.9
381.05951	2.2
393.06003	4.5
395.07532	3.9
399.07050	1.6
405.05978	7.3
407.07739	2.2
409.09216	15.1
413.08691	3.7
417.05991	1.4
423.07086	18.7
425.08698	14.7
427.10294	9.0
433.09195	1.7
435.07147	3.8
439.10269	2.2
441.08252	20.8
443.09711	16.5
451.10120	10.4
453.08170	3.9
455.09799	2.5
465.08121	4.9
469.11447	11.4
483.09265	4.1
485.10437	1.4
545.10345	1.6
561.09991	4.6
567.10791	2.6
573.09698	1.6
577.13342	2.5
585.09412	1.4
587.11786	1.9
591.11310	1.9
595.14465	21.6
605.12891	2.1
609.12073	3.8
631.77008	1.3
713.14801	3.2
731.15900	2.7
854.57037	1.4
893.05865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.3
69.03432	2.8
69.07060	0.9
69.83281	0.5
69.83664	0.6
71.01347	0.6
71.04996	0.7
71.08633	1.2
73.02917	4.6
73.03313	0.3
74.14747	0.2
79.05500	2.1
81.03419	2.5
81.07067	2.4
83.04995	0.6
83.08627	1.5
85.02908	7.0
85.10185	0.8
87.04494	0.5
91.03954	3.4
91.05490	2.0
93.07048	1.3
95.04982	0.8
95.08598	2.2
95.48534	0.2
97.02898	5.5
97.06559	0.4
98.21612	0.2
99.04479	0.9
101.02406	1.8
105.07040	1.1
107.08610	0.8
109.02911	1.0
109.06525	0.3
109.10179	1.0
111.08114	0.4
113.06010	0.2
115.03986	0.5
119.08624	0.8
121.10181	0.6
123.11765	0.5
127.03908	1.8
129.05489	0.2
129.07011	0.5
131.08556	0.5
133.10159	0.6
135.11728	0.3
145.05019	0.7
147.11729	0.6
149.13293	0.4
157.10159	0.6
159.11705	0.3
175.11209	0.4
185.04282	0.9
193.12238	1.1
203.05354	0.6
211.13391	0.7
239.23628	0.3
243.08415	1.9
247.42041	0.2
251.12581	0.7
269.10510	0.4
269.17557	0.9
285.10150	0.4
285.17032	0.2
307.15228	0.6
313.27414	1.2
316.11691	0.5
335.25974	0.8
347.09503	2.6
363.09103	0.6
365.10657	1.2
402.75293	0.2
405.13687	5.4
452.23502	0.5
455.22849	1.7
469.20432	8.1
480.13388	0.3
497.30896	4.9
497.37872	0.3
526.41107	0.3
529.39063	1.6
631.25824	7.5
659.36102	4.6
721.19275	0.3
725.44379	2.5
887.49762	100.0
888.50073	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	888.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63509	0.8
65.03937	1.8
67.05508	52.8
69.03430	3.8
69.07075	13.4
71.04978	3.0
73.02908	3.5
79.05497	31.4
79.05969	1.4
81.03419	4.2
81.07059	55.8
83.04975	3.5
83.08622	10.5
85.02910	12.8
85.06547	1.5
91.03968	8.4
91.04901	1.2
91.05481	20.9
93.07050	39.5
95.04968	4.6
95.08614	31.7
97.02909	5.3
97.06525	5.6
97.10165	2.3
99.08072	1.2
105.07034	12.0
107.04925	0.8
107.08600	24.6
109.06554	1.5
109.10160	16.3
111.08090	4.0
117.06998	6.0
119.08574	8.3
121.06497	0.9
121.10142	17.6
123.11705	6.6
125.09639	2.4
127.03935	2.3
131.08562	11.0
133.10138	12.1
134.87000	0.9
135.11690	10.6
143.41322	0.9
145.04936	3.1
145.10129	4.0
147.11697	5.4
149.13278	11.0
151.11185	1.6
159.11719	7.0
161.13251	2.9
163.06015	3.5
173.13260	2.7
177.12730	2.1
187.14874	1.3
195.13780	6.0
218.87505	0.9
243.21077	2.2
246.59712	0.9
254.14690	1.7
261.22159	7.1
267.12201	1.0
267.15793	1.4
269.17477	46.6
317.24744	2.0
335.25806	73.5
336.26468	1.0
437.34225	1.2
455.35440	1.2
511.38062	2.4
529.38910	100.0
530.39355	2.6
534.91138	1.0
547.39990	1.9
746.22797	0.9
802.34534	1.0
804.42462	1.2
888.50299	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	891.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57864	0.3
67.05507	1.6
69.03436	3.3
69.07104	0.6
70.84862	0.7
71.01339	0.8
71.04982	0.8
73.02920	3.6
79.05500	2.0
81.03423	4.6
81.07076	2.7
83.04994	0.7
83.08637	1.2
85.02914	6.5
85.06507	0.4
87.04475	0.6
91.03965	3.1
91.05490	3.5
93.07031	2.0
95.04972	1.7
95.08634	1.1
97.02901	5.6
97.06543	0.7
98.20885	0.3
101.02407	1.6
105.03413	1.3
105.07056	1.8
107.04980	0.9
107.08582	0.8
108.98762	0.3
109.02886	0.8
109.06535	0.6
111.08088	0.6
115.03973	0.4
116.98501	0.4
119.08593	1.7
121.10178	1.3
123.04548	0.3
127.03945	1.6
129.07002	0.6
131.08617	1.4
133.10159	0.8
139.36414	0.3
146.40831	0.4
147.04449	1.5
147.11758	1.0
149.09642	1.4
157.10168	0.9
163.03877	0.4
163.11140	0.4
173.13101	0.3
175.11243	1.2
185.04205	0.5
193.12294	2.9
203.05388	0.9
211.13388	0.8
243.08568	1.3
251.12646	0.6
267.09134	0.8
267.16046	1.2
269.12494	0.6
283.15256	2.5
285.10117	1.0
306.08441	0.3
307.15326	0.4
339.17758	0.7
347.09576	2.7
365.10687	1.0
405.13681	4.3
455.69995	0.5
469.20468	7.9
470.21439	0.4
501.23111	7.6
631.25714	7.8
631.35895	0.6
663.28375	7.6
681.72992	0.4
729.36768	3.5
746.56982	0.4
891.41980	100.0
892.42090	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	886.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.0
67.05506	13.7
69.03430	3.6
69.07065	3.6
71.01357	0.6
71.04987	2.9
71.54432	0.6
73.02923	0.9
77.03905	0.6
79.05498	15.1
81.03418	64.9
81.07056	15.4
83.04983	7.0
83.08619	18.4
83.09124	0.7
85.02908	9.8
85.06549	1.2
87.04433	0.5
91.03969	1.8
91.04897	0.6
91.05484	20.1
93.07045	10.8
95.04970	24.3
95.08606	6.5
95.09172	0.6
97.02892	3.8
97.06534	1.8
97.10168	5.6
99.04468	0.5
99.08109	1.0
103.05500	0.5
105.03394	7.3
105.04485	0.6
105.07032	14.0
106.03704	0.8
107.04955	9.0
107.08593	5.7
109.02851	0.5
109.06517	4.0
109.10154	3.4
111.04449	2.0
111.08089	8.3
112.46194	0.3
113.06000	1.2
115.05470	1.2
117.07020	2.0
119.04955	1.0
119.08584	13.9
121.06519	3.8
121.10155	6.3
123.04459	1.4
123.08092	2.3
123.11685	0.6
125.09637	3.7
127.03927	1.5
127.96561	0.4
128.06230	0.8
129.07005	9.4
129.07921	0.6
131.04930	0.8
131.08566	9.2
131.09526	0.5
133.06514	3.7
133.10139	7.0
133.22180	0.3
135.04442	0.3
135.08038	1.2
135.11729	0.9
137.06006	1.3
137.09630	1.4
141.06993	0.8
142.07771	2.0
143.08548	1.4
145.04988	0.7
145.06499	3.8
145.10135	2.4
147.04453	0.8
147.08060	4.2
147.11693	10.6
149.09627	5.6
149.10742	0.4
151.07524	0.4
151.11098	0.4
153.09056	0.5
155.08614	1.0
157.06523	1.4
157.10130	12.0
159.08063	1.0
159.11737	0.5
161.06023	0.9
161.09683	1.0
163.06033	0.8
163.11200	1.9
165.12743	2.4
169.06433	0.4
169.10175	1.0
171.08087	0.7
171.11633	0.8
173.09598	0.8
173.13239	0.4
175.11186	11.6
183.11731	0.7
185.09642	0.7
185.13326	0.4
187.11250	0.8
189.09279	0.5
189.11195	1.5
189.12750	0.8
193.12248	31.0
195.11748	0.8
197.09662	0.7
197.13271	1.0
199.11238	0.8
205.12267	1.1
209.13385	0.4
211.11319	0.5
211.13283	13.2
211.15268	0.7
213.12791	0.5
215.14305	0.6
219.13887	0.4
223.11189	0.6
223.13367	0.6
227.12802	1.3
227.14630	0.7
229.12387	0.5
229.14410	1.1
231.13794	0.8
233.15399	1.0
235.13242	0.8
237.12737	1.0
237.14941	0.6
249.14920	1.6
255.13791	1.7
259.13281	0.7
267.08920	2.0
267.15918	100.0
268.16245	0.8
273.14862	3.9
273.17493	0.5
281.15436	0.6
285.16983	12.0
301.14502	0.9
309.16925	1.1
311.16565	0.5
321.22333	0.5
323.19644	0.6
339.23306	1.1
341.20935	1.7
349.21716	2.9
357.24142	0.9
367.22684	6.9
385.23721	8.6
403.24893	2.1
405.24481	0.9
415.24948	0.8
433.25903	16.2
441.26373	6.8
459.27420	84.1
460.27487	1.7
477.28482	48.2
478.28870	0.9
491.30179	1.5
501.28491	2.4
509.31079	1.5
519.29456	2.8
543.29553	1.1
567.29553	0.7
573.30359	0.5
585.30542	2.0
603.31580	1.9
621.32764	1.0
764.44800	0.4
794.10303	0.4
868.44543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.5
67.05506	0.9
68.99788	10.2
69.54987	3.4
77.03936	0.7
79.05486	1.5
81.03429	3.1
83.04961	0.6
85.02895	1.0
89.03918	1.4
91.05476	0.8
93.03415	2.8
95.04967	1.4
96.99601	0.6
97.02879	0.8
99.04446	1.2
103.05479	0.7
105.03417	1.7
107.04967	3.5
109.02882	4.2
111.00801	10.6
111.04442	11.1
115.05397	1.0
117.03293	0.8
119.04932	2.6
121.02860	1.8
123.04427	57.2
127.03916	67.9
129.06894	0.6
131.04926	2.6
133.02873	2.7
133.06535	0.7
135.04416	40.5
137.02367	3.3
137.05981	1.3
139.03900	82.6
141.01849	0.7
141.06985	0.9
143.04912	1.0
145.02829	0.6
145.06427	1.4
147.04405	10.1
149.02341	9.9
149.05984	2.0
150.03122	1.2
151.03902	39.1
153.01834	1.2
153.05481	1.3
155.03357	2.5
155.04918	1.7
155.06042	0.6
157.02924	0.6
157.06526	1.3
159.04469	2.2
161.02356	1.3
161.05945	4.1
163.03906	28.5
165.01797	0.9
165.05493	6.7
167.03410	4.3
169.04956	2.6
169.06435	1.0
171.04407	1.2
173.02342	0.8
173.06015	4.0
175.03897	7.2
177.01854	0.8
177.05479	9.1
179.03394	40.5
181.04961	1.9
181.06421	0.6
182.90086	0.6
183.04356	2.3
185.05971	2.1
187.03886	4.8
188.82411	0.5
189.01848	1.2
189.05501	4.5
191.03395	13.4
191.07028	1.1
193.04929	2.9
197.06062	3.1
199.03873	1.8
201.05463	8.7
203.01456	1.1
203.03395	21.5
203.07181	1.3
205.01312	0.8
205.04948	3.2
207.06558	0.8
211.03902	1.3
213.05486	6.2
215.03362	2.3
215.07030	1.1
217.04936	4.7
219.02980	0.8
219.06522	1.5
221.04482	1.3
223.02359	3.1
225.05466	2.1
227.03317	1.3
227.06911	0.6
229.04951	14.0
231.02948	1.1
231.06491	7.8
233.04433	8.6
237.05339	0.8
241.04990	3.0
243.06546	3.6
245.04457	100.0
246.04803	0.6
247.06015	60.9
251.05518	1.5
253.04962	3.0
255.06363	0.8
257.04440	21.0
258.05179	1.7
259.06000	8.9
261.07574	4.9
263.05518	11.3
265.05072	0.7
267.06381	0.9
269.04501	5.8
271.06018	15.6
273.03864	1.2
273.07666	0.8
274.04626	0.7
275.05493	34.9
279.06509	0.9
281.04449	3.4
283.05963	2.3
285.03937	1.0
286.04688	0.6
287.05490	45.2
288.05884	0.7
289.07086	21.0
291.08649	17.5
293.04477	0.9
295.06015	2.1
297.03897	2.2
297.26990	0.5
299.05478	15.5
301.06998	2.1
303.08743	0.8
305.06549	16.5
307.05792	1.2
309.03912	2.2
309.07520	1.1
311.05493	2.3
315.05252	0.6
317.06558	16.5
321.04071	0.7
321.07355	2.4
323.05521	1.9
325.06805	0.6
327.04858	0.6
329.06717	1.3
335.05505	0.9
339.05017	1.8
347.07401	1.6
349.07062	1.4
351.05090	4.0
359.05142	0.7
361.06683	0.8
363.04855	0.9
375.04944	0.6
377.06439	1.8
379.08240	1.1
381.05829	1.6
387.04639	0.6
389.06451	0.8
391.08075	0.8
393.05988	5.1
395.07520	2.3
397.09180	12.2
399.07043	2.7
405.06067	5.3
407.07623	3.7
409.09222	9.0
411.07196	0.7
415.10379	0.8
416.67850	0.5
419.07538	2.0
421.09061	1.3
423.07098	21.0
425.08646	14.7
427.10187	8.9
435.06982	3.3
437.08575	2.8
439.10287	1.0
441.08154	11.1
443.09702	26.2
444.10190	0.6
449.08655	2.3
451.10278	3.0
453.08279	8.6
454.08322	0.5
455.09644	2.8
465.08023	1.3
467.09552	2.1
469.11340	3.1
527.09857	1.2
533.10608	1.2
545.10730	4.4
547.12634	0.7
551.11603	3.1
557.10944	2.9
561.10046	1.6
563.11670	0.7
571.11835	0.6
575.11987	2.3
577.13373	0.7
589.13098	0.7
593.12622	1.4
595.14484	7.9
605.12750	0.6
679.13727	0.9
697.15076	1.6
713.14795	1.5
715.16162	1.4
731.15594	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	883.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77553	0.6
65.03927	1.2
67.01866	0.8
67.88203	0.6
68.99789	8.3
69.73096	1.2
69.73510	2.6
81.03415	3.0
83.05004	0.8
85.02912	1.1
89.03937	1.1
91.05482	0.7
93.03394	1.4
95.04958	2.0
97.02908	0.8
98.97556	1.0
105.03381	1.7
107.04970	3.3
109.02881	7.4
111.00812	8.4
111.04479	3.7
117.03388	0.8
119.04968	1.7
121.02849	1.5
122.01316	0.6
123.04436	40.4
127.03925	68.4
131.04918	1.1
131.45790	0.6
133.02879	3.1
135.04427	28.3
137.02348	2.3
137.05965	0.8
139.03911	70.6
140.04169	0.9
143.04927	0.7
145.06549	1.0
147.04416	9.6
149.02345	7.0
149.06059	0.8
151.03909	39.6
153.01836	1.6
155.03413	9.6
156.03630	0.6
157.06494	0.7
159.04425	2.5
161.02368	1.7
161.05981	3.0
163.03915	34.5
165.01855	1.2
165.05513	5.0
167.03441	3.3
169.04945	1.3
171.04434	2.5
173.05974	3.3
175.03917	7.2
177.01895	0.8
177.05487	6.1
179.03410	26.6
181.04951	1.2
181.06471	0.9
183.04356	0.9
185.05998	2.1
187.03844	3.7
189.01823	0.7
189.05493	4.5
191.03404	10.5
193.04987	3.1
197.05937	2.1
199.03886	3.0
200.04678	0.6
201.05457	6.5
203.03412	19.9
203.07057	1.4
205.01263	0.6
205.04994	2.8
207.06496	1.1
213.05460	5.7
215.03522	3.8
215.07054	1.4
216.04166	0.8
217.04958	6.8
219.06474	1.1
221.04514	0.9
223.02341	2.8
225.05457	1.5
229.04959	9.1
231.06537	3.8
233.04474	4.6
239.03383	0.6
241.04939	5.0
243.02890	1.0
243.06581	1.8
245.04471	100.0
246.04825	0.9
247.06029	22.2
251.05379	1.1
253.04851	1.8
255.06587	2.4
257.04477	18.7
258.05182	1.0
259.05997	12.8
263.05518	23.9
265.05063	1.4
269.04489	6.3
270.05182	1.1
271.06003	10.2
273.03983	0.7
273.07513	2.4
274.04678	2.9
275.05508	22.9
275.08493	1.3
277.07083	3.3
281.04446	1.8
283.06042	7.4
285.04025	2.8
286.04623	1.0
287.05505	42.9
289.03918	1.1
289.07101	19.2
291.08682	11.1
295.06100	2.5
297.03952	1.8
297.07568	1.1
299.05518	6.8
301.07071	11.3
303.05023	2.2
303.08612	1.9
305.06564	17.9
307.05978	0.9
309.03928	2.5
311.05475	1.4
313.07111	1.2
317.06598	2.3
319.05902	0.8
321.04141	0.7
321.07645	1.5
323.05457	1.3
331.08197	1.0
335.05536	0.7
337.07227	0.8
349.07111	1.5
351.05029	3.5
361.07074	2.1
365.06488	1.7
375.04721	0.8
377.06531	0.7
379.08167	3.4
383.07736	3.8
389.06528	2.5
391.08072	1.0
393.05963	4.7
395.07663	1.7
397.09061	1.9
405.05844	3.3
407.07629	30.9
409.09164	15.9
411.10687	2.2
413.08649	6.1
417.06104	1.1
419.07333	3.5
421.09113	2.7
423.07062	2.8
425.08743	17.0
427.10269	19.7
431.07700	1.6
435.06992	2.1
437.08707	5.9
439.10147	2.0
441.08432	1.3
443.09674	2.3
449.08850	4.3
451.10358	1.1
453.07349	1.1
453.12445	1.0
454.27628	0.6
467.09616	2.1
527.09875	1.1
533.11121	1.3
543.09137	1.0
545.10931	3.5
551.11761	3.9
557.10516	2.5
561.10919	1.2
575.11798	1.5
579.14722	4.5
587.11920	1.0
593.12720	2.7
595.14435	1.2
697.15436	1.3
713.14777	2.0
715.16650	1.3
731.15509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00510	0.7
65.03959	0.6
67.05511	8.9
69.03442	1.6
69.07070	4.8
70.22701	1.3
70.23090	1.1
71.04986	1.9
71.08637	11.6
73.02930	1.6
78.44626	0.6
79.05490	6.3
80.70386	0.7
81.03425	22.9
81.07060	11.9
83.04979	4.3
83.08623	13.9
85.02911	13.2
85.10190	7.2
87.04463	0.6
91.03978	3.0
91.05481	7.9
93.07043	4.8
95.04963	9.5
95.08608	10.7
97.02895	4.3
97.06569	1.0
97.10192	3.3
98.20820	0.7
99.04456	0.8
105.07056	5.8
107.04950	2.0
107.08625	3.2
109.06509	1.1
109.10170	5.0
111.04446	1.1
111.08096	4.0
111.11714	0.8
115.03961	0.6
117.07079	0.8
119.08587	6.0
121.10142	3.4
123.08048	1.0
123.11736	2.4
127.03966	1.6
129.07008	3.3
131.08560	4.6
133.10135	3.6
135.11748	1.5
137.09604	0.8
137.13240	1.3
145.04971	0.9
147.08063	1.5
147.11688	6.1
148.38760	0.7
149.09647	2.2
154.83958	0.6
157.10129	6.6
163.06036	1.1
163.11183	1.3
165.12798	1.1
175.11191	6.1
183.39151	0.7
193.12259	20.5
211.13310	22.9
227.12900	1.3
228.13109	0.7
234.11371	0.6
239.23674	1.1
257.24908	0.8
267.15891	7.6
277.11285	0.7
283.15378	1.7
284.15695	1.3
285.16986	22.1
313.27390	32.9
314.27393	1.4
315.27951	0.7
505.38879	7.0
522.38721	1.6
523.39972	100.0
524.40314	1.5
581.71466	0.7
650.71686	0.7
667.43536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62322	0.6
67.05174	0.9
67.05507	13.5
69.03441	2.4
69.06728	0.6
69.07076	7.1
71.04978	2.2
71.08633	18.0
71.57632	0.7
73.02914	2.9
76.30666	0.5
79.05070	0.7
79.05497	9.2
81.03422	27.1
81.06584	1.0
81.07058	19.3
83.04983	5.9
83.08622	15.4
85.02907	18.8
85.06541	0.9
85.10192	9.5
87.04481	1.1
89.06018	0.8
91.03967	4.8
91.05487	13.9
93.07053	7.2
95.04974	11.5
95.08607	17.8
97.02892	5.3
97.06538	1.5
97.10187	5.0
99.04454	0.7
99.08086	1.0
103.07558	1.2
105.07035	9.6
106.57170	0.4
107.04960	2.9
107.08600	2.9
109.06509	2.0
109.10160	6.3
111.04472	0.7
111.08081	4.7
113.06042	0.7
117.07018	1.4
119.08579	8.3
120.03230	0.5
121.06474	0.9
121.10159	4.4
123.08067	1.0
123.11724	3.8
125.09581	0.7
127.03922	1.6
129.07011	5.7
131.08571	5.1
133.06480	1.4
133.10132	5.9
137.09584	0.6
137.13287	1.2
142.07765	1.1
145.04961	2.5
145.10136	0.7
147.08034	1.4
147.11693	6.5
149.09631	2.9
151.14882	0.5
157.10139	6.1
163.06009	1.4
163.11168	0.9
165.12764	1.6
175.11171	6.5
185.08125	0.5
193.12253	18.4
211.13292	21.1
211.15300	1.1
216.28467	0.5
239.23747	2.1
257.24792	0.9
267.15927	11.9
285.16974	33.7
313.27362	62.2
471.79971	0.5
505.38898	14.9
523.39960	100.0
524.40405	2.0
667.44299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.4
65.03889	1.2
65.63950	0.6
67.05505	34.4
69.03419	1.5
69.07073	9.6
69.25021	7.2
69.43313	0.8
71.01344	1.8
71.04989	2.2
73.02903	1.9
79.05490	29.1
81.03404	1.9
81.06587	1.5
81.07056	28.1
83.04984	5.3
83.08605	4.8
85.02904	6.0
85.06526	2.3
91.03961	4.3
91.05479	13.5
93.07041	38.0
93.74906	0.9
95.04957	2.1
95.08604	17.7
97.02879	3.2
97.06522	5.9
97.10176	5.1
99.08095	1.5
105.07024	8.9
107.04958	1.0
107.08591	23.5
109.06502	1.4
109.10156	8.9
111.08089	1.5
113.24300	0.8
117.06992	5.6
119.08572	6.1
121.06516	1.0
121.10148	10.2
123.11697	2.6
127.03889	1.0
131.08540	4.6
133.10146	5.5
135.11693	26.1
135.12727	1.7
137.09639	1.4
145.04942	1.0
145.10118	7.6
147.11694	2.7
149.13257	2.9
153.12738	1.5
159.11674	2.9
161.13235	2.1
163.06050	1.1
163.11218	2.3
163.14851	1.2
171.11699	0.9
173.13295	2.5
177.16379	1.0
181.12196	5.5
187.14842	1.3
199.13229	1.1
243.21164	3.0
253.14354	2.1
255.15904	44.1
261.22153	9.9
317.24741	2.2
335.25812	35.7
423.32700	1.5
515.37329	100.0
516.37805	2.2
533.38458	4.7
590.35669	0.8
874.45306	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	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.9
66.13486	0.2
67.05505	14.1
69.03429	3.4
69.07069	7.2
69.83919	1.4
71.01334	0.4
71.04993	1.9
71.08633	15.5
72.79934	0.2
73.02913	2.9
75.04492	0.3
75.38381	0.2
75.80556	0.2
77.03977	0.3
79.01994	0.2
79.05494	10.7
81.03417	35.8
81.07056	18.3
83.04984	7.1
83.08620	18.4
85.02906	20.7
85.03448	0.4
85.06541	1.2
85.10187	8.9
85.68752	0.2
87.04469	0.7
89.06026	0.9
91.03956	6.2
91.05481	14.0
93.07045	8.2
95.04971	13.3
95.08606	16.0
97.02892	6.7
97.06531	2.6
97.10168	4.0
98.20878	0.3
99.04449	0.8
99.08070	0.5
99.11709	0.3
103.05508	0.3
103.07562	0.7
105.07032	10.7
107.04956	3.7
107.08603	3.9
109.02902	0.4
109.06516	2.3
109.09462	0.5
109.10158	6.3
111.04462	1.5
111.08083	6.8
111.11709	0.7
113.06010	1.3
113.35950	0.2
115.03938	0.3
115.05454	0.6
117.07042	0.9
119.04943	0.3
119.08582	8.7
121.06501	0.8
121.10144	4.7
123.08069	1.3
123.11716	2.5
125.06020	0.4
125.09631	0.8
127.03937	2.2
127.07574	0.4
128.06230	0.3
129.07005	5.1
131.08568	6.6
133.06511	1.5
133.10135	6.5
135.08043	0.3
135.11708	0.3
137.09613	1.0
137.13278	1.2
142.07770	1.4
145.04938	2.7
145.10121	0.7
145.58694	0.2
147.08047	1.7
147.11690	8.7
149.09633	3.2
157.10121	8.8
163.06035	2.5
163.11209	0.6
165.12772	2.0
175.11183	8.4
187.84081	0.3
193.12241	27.7
211.13289	41.3
221.22658	0.4
228.86887	0.3
239.23703	1.0
249.14958	0.4
252.20630	0.3
257.24823	1.4
267.15927	15.5
275.39850	0.2
285.16959	59.1
286.17377	0.5
298.06030	0.3
313.27359	62.1
314.27646	0.8
348.77060	0.3
374.17276	0.3
491.69687	0.2
505.38922	13.9
506.39401	0.3
523.39948	100.0
524.40387	1.9
667.44171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	1.7
65.03937	0.7
67.05502	10.9
69.03420	1.2
69.06717	0.5
69.07060	4.9
69.60474	0.4
70.12324	0.5
70.82604	1.0
71.04968	1.0
71.08635	14.0
71.09003	0.7
73.02881	1.8
77.49297	0.5
79.05495	9.2
81.03403	1.3
81.07058	14.9
82.75561	0.4
83.04949	1.8
83.08623	8.7
85.02902	3.0
85.06503	0.6
85.09727	0.7
85.10183	9.2
86.43406	0.5
89.06013	1.2
91.03921	1.7
91.05486	3.0
93.07041	17.4
95.04966	3.1
95.08609	28.9
97.02884	3.9
97.06511	1.5
97.10175	2.7
99.04436	2.3
99.11699	0.9
102.01337	0.5
103.07568	0.6
105.07041	3.9
107.04968	4.9
107.07876	0.8
107.08591	14.2
109.06456	0.7
109.10145	6.7
111.04479	0.9
111.11710	0.7
117.07021	4.0
119.08583	5.6
119.25942	0.5
121.06535	3.0
121.10146	7.6
121.28576	0.5
123.11667	1.7
125.05969	1.9
127.03809	0.8
127.07527	0.6
130.07782	0.6
133.10106	1.7
135.08026	1.6
135.11693	31.0
137.13200	1.0
139.07478	1.0
143.08504	0.7
145.04950	1.2
145.10124	18.9
163.11183	42.9
181.12238	7.8
198.23114	0.5
209.11754	1.2
227.12784	48.7
228.12933	0.6
230.87590	0.5
239.23756	1.5
240.63382	0.5
257.24734	1.8
271.97055	0.5
283.15393	82.1
284.15729	0.7
313.27359	79.8
314.27774	0.8
321.98279	0.5
338.69919	0.6
521.38379	100.0
522.38885	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14740	0.3
68.67305	0.3
69.03440	0.5
69.40659	0.7
69.41077	1.9
79.05492	4.2
81.03428	0.4
85.02902	1.1
95.04971	0.7
97.25959	0.3
98.21513	0.4
105.04541	0.6
107.04958	53.2
108.05313	1.6
129.03130	0.7
133.02603	0.9
135.04170	5.7
161.02112	0.5
179.03163	25.0
185.02586	0.4
185.04234	6.3
209.55055	0.3
241.08354	1.9
249.11203	1.0
275.08975	0.6
285.16977	0.6
287.05551	0.5
291.08310	0.8
297.09296	0.5
309.08386	1.0
327.09253	0.6
403.13718	1.3
410.44006	0.4
419.11365	0.5
446.18646	0.4
447.12631	100.0
448.12988	1.6
662.72894	0.4
714.28864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	2.9
65.03942	2.1
65.27928	1.6
67.05510	54.1
67.05875	2.8
69.03103	2.5
69.03429	14.2
69.07069	13.2
70.68437	2.4
70.68760	3.1
71.04991	5.3
74.60210	1.7
79.05495	43.3
81.03424	62.1
81.07061	54.0
83.04990	16.4
83.08618	19.0
85.02906	20.2
91.03960	3.6
91.04966	3.2
91.05484	34.9
93.06486	2.8
93.07051	42.0
95.04964	23.0
95.08614	34.5
97.02902	16.7
97.06548	5.2
97.10161	5.4
99.04457	4.3
105.07035	26.4
107.04950	5.6
107.08603	19.7
109.02887	8.6
109.06533	4.1
109.10149	14.0
111.04446	6.7
111.08083	7.9
113.06023	2.1
117.07030	9.0
119.04962	2.3
119.08595	23.0
121.06520	4.5
121.10155	23.5
123.04377	2.3
123.08026	2.2
123.11713	4.9
125.09591	2.0
127.03929	10.9
129.05557	3.8
129.07042	9.6
131.08548	15.2
133.06491	3.6
133.10130	15.3
135.11678	10.9
137.09576	2.1
141.80092	1.6
142.07768	2.1
143.08620	4.5
145.10167	9.4
147.08134	3.6
147.11697	14.0
149.09612	6.1
149.13254	4.3
157.10133	10.4
159.07976	2.0
159.11598	4.1
161.13258	3.4
163.11150	2.9
165.12738	6.5
171.11694	3.4
173.04402	2.7
175.11179	9.7
187.14862	2.8
191.10614	2.5
193.12228	32.6
211.13284	38.4
211.15204	2.8
227.12674	3.4
229.14325	2.9
235.13142	2.5
243.20998	2.1
261.22131	8.1
267.15985	14.9
285.16907	17.7
289.17645	1.7
309.16913	3.3
335.25845	54.5
355.17447	2.3
369.24481	2.1
379.50003	2.2
411.20078	3.3
429.21335	12.4
453.33661	2.4
461.29111	2.2
479.30042	2.7
527.37299	15.1
545.38409	100.0
546.38678	3.0
551.29242	1.9
653.40131	3.8
671.41193	6.4
689.42725	29.9
851.46539	2.3
869.43616	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	870.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	15.2
65.03957	2.6
67.05509	48.2
69.03432	12.2
69.07067	12.4
70.07611	3.2
70.08000	3.2
71.01357	3.1
71.04981	7.3
73.02928	8.9
79.05495	48.8
81.03422	99.0
81.07063	45.1
82.04185	3.1
83.04984	31.6
83.08624	37.5
84.02122	2.0
85.02908	42.4
85.06541	4.8
91.03965	9.7
91.05490	48.5
93.07048	32.0
94.04179	1.7
94.81161	2.0
95.04975	48.5
95.08609	16.8
95.12249	1.6
97.02898	17.9
97.06509	11.2
97.10165	17.6
97.89876	1.6
98.07316	4.8
98.21620	1.6
98.97460	1.6
99.04437	3.1
99.08110	1.9
100.07615	1.6
100.91411	1.6
101.06046	1.7
105.03409	8.3
105.07028	32.9
107.04958	19.6
107.08607	20.8
109.06512	7.7
109.10165	15.1
109.87133	1.6
111.04435	7.1
111.08061	17.2
113.06013	2.3
115.03915	2.2
115.05495	2.7
116.04726	10.4
117.07015	7.1
119.04956	2.1
119.08585	28.2
121.06509	5.9
121.10166	15.6
122.84834	1.6
123.04314	1.8
123.08045	8.1
125.09644	19.5
125.66756	1.6
127.03923	4.4
129.05489	24.1
129.06990	17.0
131.04915	2.0
131.08568	24.7
131.23981	1.6
133.06491	4.6
133.10112	22.4
135.08057	5.5
135.11674	7.7
137.09621	2.9
142.07724	4.0
143.07025	7.1
145.04971	3.7
145.10141	8.7
147.08057	4.9
147.11682	24.8
149.09625	10.0
153.09091	2.7
153.12720	4.7
157.08623	11.7
157.10126	21.9
163.06007	3.5
163.11165	14.6
165.12793	5.1
171.06493	3.3
171.10162	4.3
171.62105	1.7
173.09627	2.4
173.11757	5.3
175.11200	21.3
181.12215	4.9
183.52359	1.8
189.11266	8.0
191.10670	6.3
193.12253	82.0
199.13307	18.7
200.14087	1.9
209.11766	12.7
211.13310	100.0
222.09137	2.4
227.12817	16.5
229.14313	9.0
247.13251	5.1
249.15018	2.6
255.15939	2.5
265.14346	2.0
267.08813	2.6
267.15924	32.2
271.06030	4.4
283.15402	21.4
285.16977	69.0
293.08572	1.8
301.16483	51.2
321.16602	2.0
409.25970	7.9
421.25906	4.0
427.27072	9.3
439.26920	38.0
457.26273	2.0
459.27335	5.1
475.26520	4.9
476.27576	4.7
477.28275	4.8
493.27896	21.7
494.28659	3.7
511.21411	3.5
511.29053	70.9
512.29272	2.3
655.32886	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	867.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02373	0.6
64.16880	0.4
65.03940	2.5
67.05492	0.9
68.66393	0.4
68.99783	8.0
69.64999	1.1
69.65398	1.6
72.68394	0.5
77.03909	0.8
79.05507	0.8
80.09119	0.5
81.03424	2.6
83.04986	0.9
85.02909	1.5
89.03921	1.8
91.05460	1.0
92.61823	0.5
93.03403	4.4
95.04966	2.4
97.02888	0.6
99.04481	1.2
103.05493	0.9
105.03419	1.3
107.04952	6.2
109.02872	3.1
111.00810	9.3
111.04440	12.9
115.05429	0.6
117.03395	1.6
119.04928	2.3
121.02869	2.0
123.04428	76.8
124.04830	0.6
127.03918	74.9
127.45853	0.5
131.04939	2.6
135.04416	67.9
137.02361	6.9
137.05977	1.1
139.03902	65.6
141.01854	1.0
143.04880	1.2
145.02841	1.2
145.06490	0.8
147.04417	8.3
149.02347	11.1
149.05991	2.5
150.03108	0.9
151.03906	23.3
153.01834	1.1
155.04907	1.1
157.06494	1.1
159.04436	4.0
161.02362	1.8
161.05946	4.4
163.03903	64.0
165.01799	0.9
165.05478	5.8
167.03418	4.4
169.04987	1.7
169.06511	1.9
171.04337	0.9
171.75850	0.5
173.05974	5.0
175.03926	4.0
175.07533	0.8
177.05476	8.1
179.03394	12.3
179.07104	0.8
181.04956	1.8
181.06429	1.1
183.04410	2.6
185.05975	3.0
187.03891	8.4
187.07524	0.7
189.01819	0.8
189.05449	3.9
190.02647	0.7
191.03394	14.7
191.07007	1.0
193.04924	2.0
197.06004	3.8
199.03987	0.6
201.03827	0.3
201.05490	10.3
203.01509	0.9
203.03386	16.7
203.06978	1.8
205.04944	3.6
207.02907	1.1
207.06505	1.6
209.05963	0.6
213.05440	4.1
215.03401	5.1
215.07028	2.9
217.04951	3.0
219.06528	1.5
221.04385	1.2
223.02365	2.4
225.05453	1.7
227.03503	0.7
227.07143	0.9
229.04955	14.4
231.02867	1.6
231.06493	4.8
233.04489	5.6
235.02254	1.0
237.05331	0.9
241.04904	4.4
243.02834	0.8
243.06519	5.5
244.03693	0.9
245.04457	100.0
246.04846	0.6
247.06020	63.6
249.03560	0.7
251.05409	1.3
253.04985	2.9
255.06473	3.9
257.04443	19.2
258.05121	1.7
259.06024	17.7
261.07501	4.7
263.05499	2.2
265.04962	0.9
267.06604	1.2
269.04462	6.2
270.05188	0.8
271.05994	22.4
273.04449	0.8
273.07648	2.5
274.04620	4.3
275.05490	26.5
279.06604	1.3
281.04388	2.3
283.05981	9.5
285.03894	2.9
285.07465	1.3
286.04764	0.9
287.02219	0.9
287.05481	26.4
289.07065	42.1
290.07498	0.6
291.08621	15.4
293.04535	0.8
293.08124	0.7
295.05988	2.0
297.03961	2.7
297.07297	1.1
299.05490	6.3
301.07062	15.3
303.05008	1.4
303.08548	3.4
307.05865	1.6
309.03833	2.7
309.07333	0.7
311.05530	1.9
313.07031	1.7
317.07568	0.6
321.04031	0.7
321.07440	1.3
323.05402	3.1
325.06827	0.9
327.05371	0.6
331.08154	1.7
333.07370	0.7
335.05435	0.7
339.05157	0.7
345.07568	0.7
351.05057	3.9
353.06372	0.6
361.06982	2.1
363.08658	0.7
365.06671	2.5
367.08109	0.7
373.07208	0.9
377.06451	1.7
379.08038	3.7
383.07748	3.4
389.06442	2.7
391.08203	3.2
393.06030	5.9
395.07703	2.7
397.04596	1.0
397.09238	10.6
401.06250	0.8
405.06006	2.0
407.07614	31.7
408.07709	0.8
409.09210	27.6
410.09549	0.7
411.10690	3.0
415.08008	0.5
419.07520	4.5
421.09207	3.2
425.08640	12.9
427.10257	24.2
431.07370	1.4
433.09116	1.7
435.10919	1.1
437.08652	12.9
439.10425	2.7
440.19418	0.6
449.08701	3.1
451.10287	4.2
453.11920	3.2
469.11111	0.5
517.11346	2.3
527.09540	2.3
529.11572	1.0
535.12311	3.7
541.10938	2.0
545.10645	5.9
559.12341	2.6
561.13501	1.1
571.11871	1.5
577.13458	2.9
579.14850	6.7
589.13586	1.2
679.13861	0.8
685.62964	0.7
697.15521	4.1
715.16711	2.6
815.18549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92257	0.1
65.03930	1.0
67.05511	0.6
69.03436	0.3
75.01180	0.2
76.76595	0.1
77.03935	0.6
79.05494	5.9
81.03410	0.4
83.04987	1.2
85.02894	0.3
85.59171	0.1
91.05484	4.5
92.48848	0.1
93.03384	0.4
95.04969	7.9
97.02876	0.4
98.20693	0.3
100.46284	0.1
101.34548	0.1
105.03405	2.1
105.04496	1.1
107.04956	100.0
108.05297	0.6
109.06501	0.2
111.04444	6.5
119.04939	14.3
121.02869	4.8
121.06434	0.1
123.04456	1.1
127.03918	0.2
128.06209	0.2
129.07007	0.5
131.04962	0.3
137.02319	0.2
137.05981	1.8
139.03905	6.4
141.05432	0.2
142.07808	0.3
143.08559	0.3
145.04904	0.2
151.03893	0.2
152.06230	0.4
153.06975	0.1
157.05122	0.3
157.06488	0.7
157.10175	0.9
159.07988	0.2
165.07002	0.5
166.07681	0.2
167.08577	1.5
169.06419	0.3
170.07304	0.7
171.08092	0.8
177.06918	0.2
183.08067	0.7
185.09608	1.8
187.07576	0.5
195.08041	1.9
197.05991	0.4
198.06744	0.7
199.07510	2.0
201.09065	0.2
205.08530	0.2
209.05991	0.5
213.09103	78.6
214.09456	1.1
215.07109	0.3
227.07118	0.7
233.08145	0.2
245.08109	1.1
249.07591	4.1
257.08334	0.2
267.08673	0.9
277.04056	0.2
277.07068	4.2
295.08133	5.1
305.11884	0.4
333.11169	0.2
344.19467	0.1
351.12283	0.1
355.11713	1.9
365.10284	0.2
371.68134	0.1
383.11185	0.5
392.27664	0.2
401.12299	2.5
461.15640	0.2
463.25192	0.2
669.31238	0.2
758.29926	0.1
819.87042	0.1
876.07129	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	861.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.0
64.55203	0.4
66.65573	0.4
67.05502	4.5
69.03432	3.5
69.07059	1.9
69.83518	1.2
69.83932	0.9
71.04996	1.4
73.02923	3.2
79.05508	4.5
81.03429	1.2
81.07052	5.8
82.68346	0.4
83.04993	0.4
83.08610	0.8
85.02909	4.4
91.03957	3.0
91.05497	2.9
93.07040	4.8
95.08600	3.7
97.02907	4.6
97.06525	0.9
97.10163	0.4
99.04468	0.9
101.02389	2.2
105.07043	2.2
107.08604	1.9
109.02879	0.6
109.06540	0.6
109.10161	1.8
111.08144	0.4
115.03937	0.5
117.07037	0.7
119.08598	1.1
121.10164	1.4
123.11697	0.5
125.09639	0.4
127.03968	1.4
129.07007	0.4
131.08598	0.7
133.10156	1.6
135.11705	0.8
145.10170	0.9
147.11740	0.5
149.13298	0.4
159.11739	0.8
173.13359	0.5
185.04286	0.5
243.08363	2.5
284.70746	0.4
311.17429	0.4
320.59561	0.4
335.25809	0.7
365.22925	3.7
519.29254	6.4
583.30725	4.6
691.40314	0.7
861.53290	100.0
862.53827	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	861.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.8
64.46428	0.5
65.61034	0.5
66.19411	0.4
67.05500	5.0
69.03435	3.3
69.07072	1.7
71.04986	1.4
73.02927	3.7
74.49707	0.4
79.05495	2.8
80.90131	0.5
81.03437	1.9
81.07056	6.5
83.08644	0.5
85.02904	4.6
89.23745	0.4
91.03970	3.0
91.05497	2.0
93.07046	4.6
95.04982	0.8
95.08619	3.0
97.02893	4.5
97.03371	0.4
97.06554	0.8
97.10190	1.2
99.04462	0.6
101.02400	2.0
103.03992	0.6
105.07066	1.9
107.08617	2.3
109.02890	1.1
109.10215	1.1
111.08121	0.6
117.07066	0.9
119.08601	1.7
121.10179	1.6
122.78787	0.5
127.03944	2.1
130.72510	0.4
133.10168	1.5
135.11726	0.9
147.11716	1.0
159.11729	0.5
173.13237	0.6
185.04320	0.6
197.57750	0.5
243.08438	2.7
335.25961	0.7
365.22925	4.2
519.29395	6.2
583.30804	3.5
666.47540	0.5
691.40735	0.9
861.53345	100.0
862.52844	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	859.4814
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02929	3.5
67.05509	5.5
69.03440	2.9
69.07070	3.4
69.76979	1.9
71.04990	0.5
73.02916	2.9
79.05492	4.5
81.03434	2.3
81.07076	4.1
83.04993	0.9
83.08617	1.1
85.02911	4.0
91.03960	2.2
91.05485	3.2
93.07059	3.1
95.04977	1.4
95.08627	2.2
97.02909	4.6
97.06540	1.0
97.10180	0.9
98.20821	0.6
99.04481	0.5
101.02414	1.4
104.92384	0.4
105.07029	2.4
106.39366	0.4
107.04959	0.6
107.08607	1.2
109.01471	0.4
109.02882	0.6
109.06556	0.7
109.10181	1.9
111.08156	0.4
113.20864	0.4
117.07037	1.2
119.08603	1.6
121.10162	1.0
125.09652	1.4
127.03938	1.4
129.07082	0.4
131.08603	0.7
133.10139	1.1
135.08101	0.6
135.11682	1.1
143.08562	0.7
145.10190	0.6
147.11696	0.7
151.11249	0.6
159.11713	0.6
161.13342	0.5
185.04297	0.6
189.11336	0.6
203.05304	0.8
223.13416	1.1
243.08376	4.4
291.19693	1.6
301.09174	0.6
315.10406	0.4
331.18881	1.3
333.20276	2.1
341.70718	0.4
356.76767	0.4
383.30057	0.4
387.21631	0.9
439.19351	0.9
453.20923	0.9
549.26666	6.3
551.28308	6.3
583.23267	0.5
859.48132	100.0
860.48419	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	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.4
65.03951	0.4
67.05505	5.1
69.03434	2.8
69.07073	2.8
71.05014	0.5
71.38767	0.4
71.39104	0.4
73.02923	3.0
79.05498	4.3
81.03412	2.3
81.07054	5.5
83.05003	0.9
83.08639	0.8
84.58298	0.3
85.02912	3.6
85.06562	0.3
87.04491	0.5
91.03963	1.8
91.05489	3.4
93.07051	4.0
95.04994	1.0
95.08618	2.6
97.02876	3.5
97.06564	1.1
97.10164	0.4
99.00868	0.4
99.04447	0.6
101.02383	1.6
105.07040	2.6
107.04960	0.5
107.08602	2.1
109.02902	0.6
109.06526	0.5
109.10174	0.8
115.03937	0.4
117.07034	0.6
119.08614	1.2
121.10178	1.2
123.08115	0.6
125.09668	0.4
127.03932	1.1
129.07054	0.4
131.08629	0.8
132.37729	0.3
133.10184	1.3
135.11739	1.1
136.06227	1.2
145.10144	0.9
147.11729	0.9
149.09637	0.5
149.13306	0.4
159.11722	0.3
183.94135	0.3
184.07420	0.4
185.04277	0.7
203.05295	0.4
233.48888	0.3
243.08403	3.9
259.07938	0.4
333.20343	2.9
389.22952	0.8
435.83115	0.3
439.19434	2.1
453.21283	2.4
469.20499	0.8
549.03418	0.4
551.19720	0.6
551.28278	11.5
562.08856	0.3
610.30035	0.3
647.83148	0.4
763.42523	0.9
861.49683	100.0
862.50110	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	861.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.3
67.05511	6.4
69.03436	3.0
69.07069	1.4
71.04996	1.0
73.02920	4.4
79.05495	2.8
81.03431	2.1
81.07062	4.6
81.08801	0.3
83.04961	0.5
83.08625	0.8
85.02906	6.0
87.04488	0.5
91.03952	4.1
91.05482	2.2
93.07043	3.0
95.08601	2.9
96.80728	0.3
97.02898	4.6
97.06556	0.4
97.10162	0.3
99.04486	1.1
101.02393	1.6
103.03953	0.7
105.07069	1.1
107.08607	1.4
109.02902	0.8
109.10167	4.4
115.03926	0.4
117.07030	0.5
119.08620	1.0
121.10165	1.3
123.11756	0.5
127.03924	2.3
129.05518	0.4
131.08575	0.8
133.10143	0.7
135.11699	1.1
137.09665	0.3
145.04919	0.4
145.10158	0.6
155.10703	0.4
173.11787	1.3
181.04794	0.4
185.04260	1.8
195.09966	1.3
203.05251	0.4
229.14377	0.8
229.23122	0.5
243.08467	2.4
251.12674	0.5
261.22226	0.3
301.08890	2.2
315.10513	0.6
335.25894	0.9
355.13586	0.4
371.16962	0.6
373.11203	1.4
385.18192	2.3
390.45276	0.3
390.65396	0.4
413.17853	6.6
457.20380	0.4
469.20676	0.7
491.68774	0.3
509.23969	0.4
519.29401	11.7
529.35400	0.5
578.30524	2.7
591.31512	0.9
607.34729	0.4
610.30017	0.4
619.33948	0.5
647.37543	0.5
662.39886	1.9
691.40295	100.0
692.40417	3.2
717.41742	0.5
719.43768	1.7
722.45197	0.3
732.68872	0.4
747.42993	2.6
753.96924	0.4
754.11426	0.4
793.43738	0.6
861.49646	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	859.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.7
64.66904	0.4
65.03946	0.4
67.05505	6.2
69.03435	2.7
69.07072	3.5
71.01366	0.4
73.02914	2.7
79.05486	5.2
81.03407	2.2
81.07058	6.6
83.04990	1.2
83.08637	1.3
85.02901	3.0
91.03962	1.7
91.05477	3.6
93.07053	4.0
95.05005	1.1
95.08599	2.9
97.02890	3.8
97.06561	0.7
97.10182	1.5
98.68184	0.4
99.04430	0.5
101.02399	1.3
105.07030	3.5
107.04992	0.6
107.08589	2.5
109.02894	0.6
109.06519	0.9
109.10198	2.0
110.20036	0.4
111.08062	0.4
115.05354	0.4
117.07047	1.2
119.08604	2.3
121.10175	1.5
123.11672	0.5
125.09641	1.0
127.03934	1.2
129.07053	0.5
131.08568	1.7
133.10094	1.8
135.11690	1.5
137.06006	0.5
143.08649	0.5
145.10162	1.4
147.11732	1.6
149.09634	0.5
149.13329	0.9
159.11740	1.2
161.13277	0.4
173.13287	0.5
185.04259	0.5
203.05405	0.6
223.13393	0.9
229.35153	0.4
231.13945	0.4
237.36639	0.5
239.16486	0.7
243.08444	4.0
273.18848	0.4
291.19693	1.4
331.18808	2.1
333.20572	1.1
335.26010	0.9
377.05228	0.4
387.21579	0.6
389.23218	0.6
425.34018	0.5
439.19485	1.2
443.34787	0.4
453.21167	1.0
469.20261	0.8
499.38098	1.0
517.38654	2.1
549.26770	6.8
551.28180	6.8
696.96283	0.5
810.46887	0.4
859.48108	100.0
860.48419	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	856.578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.2
65.03926	4.8
67.05508	100.0
69.03426	5.3
69.07072	26.6
69.21584	15.1
71.05006	10.9
71.08631	1.6
77.03934	1.7
79.05497	62.1
80.59167	1.2
81.03427	8.9
81.07060	88.6
83.04968	8.2
83.08630	16.0
85.02915	4.0
85.06550	3.8
91.05485	46.9
93.07048	74.7
93.07641	3.6
95.04967	6.9
95.08611	55.9
97.02925	2.4
97.06541	10.2
97.10174	6.8
98.20750	3.1
99.08074	2.3
105.07037	34.8
107.04945	4.8
107.08603	45.5
109.06523	5.6
109.10160	48.6
111.04485	1.7
111.08085	5.4
115.05440	1.9
117.07027	15.7
119.08599	21.2
121.06496	2.8
121.10158	29.6
123.08077	3.4
123.11726	6.5
125.09657	4.5
129.05502	1.9
129.07002	4.4
131.08575	23.7
133.06519	1.7
133.10139	23.3
135.08049	3.9
135.11676	21.0
137.09602	4.2
139.11151	1.7
141.06982	1.9
143.08562	5.6
145.10136	15.6
147.08154	2.2
147.11688	13.0
149.09578	5.6
149.13266	12.7
151.11148	2.0
155.08545	2.0
155.10680	3.5
157.10143	4.4
159.11681	15.2
161.13269	6.2
163.11171	5.2
163.14778	3.2
165.12694	2.6
169.10155	3.1
171.11674	5.2
173.11751	5.8
173.13284	10.3
175.11227	2.4
175.14922	2.2
177.12755	3.4
181.10071	1.5
183.11708	3.0
185.13319	1.8
187.14827	3.3
189.11249	2.2
195.13809	2.8
199.14899	2.9
219.17407	1.7
227.12804	5.5
229.14336	35.5
243.20988	5.0
257.19107	7.0
259.20673	2.4
261.22150	14.3
267.15915	3.3
269.17508	10.5
275.20020	15.9
301.21619	1.8
331.22577	2.4
333.24176	2.5
335.25824	87.1
349.23819	15.8
381.26654	2.3
413.21613	7.4
471.34875	1.9
489.35699	28.9
507.36569	2.7
527.36761	1.8
529.38940	76.4
530.39246	1.7
561.37787	2.9
569.42047	29.5
599.43927	1.6
609.36151	2.6
609.45172	32.1
627.46228	4.0
641.47467	9.2
673.43256	7.6
691.43933	3.1
713.45654	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.4
65.03931	3.6
67.05506	100.0
69.03423	3.7
69.07064	16.7
69.18703	10.4
69.19127	6.8
71.04980	4.2
73.02905	3.2
75.85653	1.7
79.05494	43.2
81.03419	9.1
81.06590	3.1
81.07057	59.9
81.61530	1.5
83.04965	7.0
83.08620	14.4
83.17020	1.8
85.01516	1.5
85.02890	13.0
85.06535	3.6
87.04436	3.3
91.05481	25.6
93.06476	3.2
93.07045	46.8
95.04959	6.1
95.08601	38.6
97.02905	4.0
97.06519	6.4
97.10155	12.9
99.04474	1.8
99.08082	2.0
102.91925	1.7
105.07027	14.9
107.04967	2.2
107.08598	23.3
109.06526	3.0
109.10158	64.7
111.04431	2.4
111.08063	3.7
117.07052	8.5
119.08595	14.9
121.10153	15.4
123.08064	1.5
123.11702	4.8
125.09642	11.9
129.06956	2.2
131.08554	11.6
133.10164	11.3
135.11678	13.3
137.09612	1.9
137.13220	3.4
143.08618	2.2
145.10112	9.2
147.11685	5.8
149.13272	7.7
154.08824	1.7
155.10634	5.1
159.11693	6.4
161.13258	3.7
163.11185	5.2
163.14828	4.0
173.11734	13.6
173.13179	3.7
175.14900	2.2
187.14812	2.4
191.10506	2.3
199.13271	5.2
209.11650	4.4
227.12807	5.9
229.14363	48.8
243.21080	4.8
259.20749	2.4
261.22137	15.5
267.15857	2.5
301.16446	13.6
317.24731	3.2
335.25790	88.8
336.25934	1.9
399.23825	7.2
477.35950	7.9
478.62302	2.0
489.35748	19.0
529.38330	1.9
561.37329	5.6
579.38702	2.5
588.13757	2.0
659.45447	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	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.0
65.03931	5.0
67.05505	93.2
69.03443	11.1
69.07066	40.8
70.20702	5.6
70.21043	1.9
71.04987	7.8
75.68767	1.7
78.35663	1.7
79.05494	65.4
81.03419	17.5
81.07056	100.0
82.07389	1.7
83.04983	14.0
83.08614	15.8
85.02890	6.7
85.06544	5.2
91.04894	3.3
91.05476	62.7
93.07043	74.1
95.04972	16.4
95.08060	1.3
95.08606	35.8
95.09177	3.2
97.02878	6.9
97.06522	20.8
97.10175	10.9
97.10689	1.6
99.04449	2.9
99.08100	2.6
103.05476	2.8
105.04540	3.4
105.07030	46.9
106.65521	1.5
107.04964	12.3
107.08599	48.1
109.02831	1.6
109.06552	8.2
109.10156	15.5
111.08070	7.3
113.09617	2.6
115.05463	2.3
117.07011	21.7
119.07803	3.0
119.08591	41.5
121.06514	6.3
121.10136	22.1
123.08064	6.6
123.11728	8.9
125.09647	6.7
127.03919	3.1
129.05457	2.6
129.07010	13.2
131.08559	34.7
133.06497	2.8
133.10136	30.4
135.08061	7.6
135.11679	21.1
137.09599	2.9
137.73090	1.5
141.06946	3.0
142.07803	3.5
143.08569	7.3
145.06451	2.0
145.10130	21.0
147.08063	2.1
147.11682	16.5
149.09644	19.1
149.13257	18.6
151.11198	3.7
155.08556	4.2
157.10127	7.6
159.11688	21.0
161.09692	3.0
161.13252	7.4
163.11182	9.2
169.10118	7.1
171.11612	9.8
173.04518	3.5
173.11887	1.8
173.13199	8.7
175.11256	2.3
177.12773	7.8
179.14316	4.0
183.11729	5.0
185.13176	3.5
187.14807	2.2
189.11232	3.3
189.12798	2.1
195.13785	7.7
197.13211	4.1
199.14798	2.2
201.12650	2.0
213.14807	3.1
227.12761	9.0
229.14330	3.6
229.19560	3.3
233.15237	2.4
239.17960	4.2
247.20592	3.9
251.16470	1.9
253.14444	2.6
255.15880	16.5
257.18961	11.8
267.15805	2.7
269.17468	52.7
275.20084	44.0
293.21030	3.8
318.66211	1.9
329.91718	1.6
331.22684	2.7
349.23749	44.6
367.24762	6.7
413.21866	2.0
416.27399	2.0
433.30731	2.1
435.26993	2.3
445.29849	2.4
449.29044	22.5
451.31915	2.4
463.30603	33.8
503.33578	3.8
525.35840	4.2
529.35370	8.9
543.36865	44.4
547.35303	2.3
561.38043	8.4
593.33362	1.9
607.34692	3.0
623.42340	5.1
641.43835	3.1
856.45563	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	859.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.0
67.05503	1.9
68.79160	0.3
69.03429	4.0
69.07089	0.7
69.17424	2.0
69.17830	0.8
71.01349	0.4
71.05006	1.1
73.02918	4.9
77.94463	0.3
79.05496	2.1
79.88895	0.2
81.03419	5.4
81.07055	2.0
83.04990	1.0
83.08622	1.7
85.02905	9.1
87.04443	0.3
91.03953	4.5
91.05486	3.3
93.07056	1.2
95.04979	1.9
95.08639	0.7
97.02895	7.0
97.06543	0.5
97.10149	0.3
98.87505	0.3
99.04461	1.5
101.02382	2.1
103.03918	0.7
105.03347	0.3
105.07043	2.1
107.04967	0.6
107.08629	0.6
109.02876	1.6
109.06528	0.4
111.04465	0.4
111.08115	0.5
115.03941	0.5
119.08588	2.0
121.10199	0.6
123.08112	0.3
126.80963	0.3
127.03904	1.9
129.07062	0.8
131.08575	1.0
133.10088	1.5
136.06223	0.4
145.05003	0.7
147.11703	1.4
149.09645	0.5
157.10194	1.2
175.11159	1.4
185.04280	1.3
193.12259	3.0
194.47534	0.4
194.49400	0.3
203.05333	0.5
211.13318	1.7
243.08429	2.1
251.12579	2.0
267.09103	1.1
271.08386	0.6
285.10184	0.9
285.17017	0.8
289.09509	1.2
307.15222	1.3
326.11618	0.3
326.61560	0.4
347.09439	3.3
363.08847	0.5
365.10635	0.8
405.13681	5.5
405.18613	0.5
438.18436	0.8
438.68494	0.5
439.18762	0.4
440.18140	0.9
440.68127	1.4
441.18494	0.4
469.20505	16.6
598.85760	0.3
631.25793	14.3
631.79413	0.3
664.06799	0.3
697.34229	3.1
859.39325	100.0
860.39886	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	856.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22559	2.9
65.03950	5.0
67.05509	77.0
69.03419	9.7
69.07074	48.9
71.04991	5.0
71.57099	3.6
71.67417	2.6
79.05495	90.5
81.03421	17.5
81.07061	100.0
83.04987	12.8
83.08624	21.1
85.02910	7.5
85.06568	4.4
91.05485	68.2
93.06478	4.5
93.07047	71.4
95.04973	17.5
95.08608	50.0
97.02873	5.8
97.06541	16.5
97.10185	24.5
99.08089	3.8
103.05476	4.4
105.06375	2.0
105.07036	59.8
107.04955	13.6
107.08598	60.9
109.06522	9.3
109.10150	25.2
111.08080	7.0
115.05434	3.3
117.07026	26.3
117.27340	2.7
119.08592	36.3
121.06494	7.5
121.10165	19.2
123.08067	5.0
123.11723	6.2
125.09638	24.1
127.03941	3.9
128.06248	5.1
129.03938	2.6
129.06996	11.8
131.08577	34.7
133.10133	37.3
135.08084	10.5
135.11679	18.5
137.09579	3.3
138.88280	2.9
142.07747	4.8
143.08566	7.9
145.10158	18.6
147.08029	5.3
147.11703	18.9
149.09618	25.2
149.13293	9.1
151.11201	5.0
154.07869	2.7
155.08601	4.4
157.10234	6.8
159.11682	19.3
161.09673	3.0
161.13254	8.5
163.11188	14.1
165.12718	4.0
169.10127	6.5
171.11746	7.9
173.13277	10.3
174.64847	3.1
175.11137	5.1
177.12769	5.2
179.14346	7.2
183.11740	6.5
184.07281	4.2
185.13263	6.3
187.11150	4.1
189.11253	12.5
191.56938	4.0
195.13760	5.4
197.13332	3.3
199.14796	3.1
227.12752	33.3
228.44734	2.7
229.14388	7.5
229.19525	3.3
239.17975	7.5
245.13994	4.1
247.20593	3.9
255.15981	6.8
257.19022	17.2
269.17422	20.9
275.20074	72.0
293.21115	6.2
331.22559	4.9
339.40997	3.4
349.23764	63.8
367.24847	5.3
423.27078	3.7
439.26447	3.4
449.28500	4.1
463.30026	4.7
503.33694	4.4
519.33344	5.2
525.35620	5.6
529.35541	14.7
543.36823	49.0
561.37891	4.7
623.43268	21.5
641.43982	8.2
814.00073	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.2
61.66043	0.7
65.03943	3.3
67.05511	100.0
69.03439	3.0
69.07080	17.7
69.26141	1.8
69.26550	4.3
71.01372	1.6
71.05006	3.5
73.02921	2.7
77.03965	0.7
79.05114	0.8
79.05499	41.1
81.03432	8.5
81.07063	57.7
83.04991	7.2
83.08629	14.8
85.02911	10.7
85.06549	3.7
87.04462	4.1
91.03969	1.5
91.05490	23.7
93.07050	41.4
95.04985	5.6
95.08615	39.6
97.02909	4.1
97.06563	4.0
97.10171	13.9
99.04494	1.2
99.08118	1.2
103.04006	0.7
103.71765	0.7
105.04563	1.3
105.07045	15.3
107.04970	2.4
107.08603	26.2
108.32058	0.7
109.06539	2.9
109.10166	56.8
111.08096	5.7
116.04740	0.8
117.07023	6.6
119.07777	0.4
119.08587	14.6
121.10158	16.8
123.08114	2.0
123.11714	5.2
125.09647	13.6
129.05528	2.1
129.07013	1.7
131.08591	8.9
133.10144	8.9
135.08061	0.8
135.11710	12.7
137.09608	3.6
137.13316	1.7
139.11198	1.2
143.08649	2.1
143.10727	2.2
145.10126	8.9
147.08099	1.6
147.11700	6.0
149.09650	1.5
149.13264	5.2
151.14853	1.1
153.12773	3.6
155.08629	0.8
155.10678	4.0
157.08669	1.0
157.10147	1.3
159.11714	5.0
161.13232	4.7
163.11223	6.4
163.14877	2.4
169.10237	0.9
169.75020	0.7
173.09789	0.8
173.10170	1.2
173.11798	15.0
173.13327	4.0
177.16560	0.8
181.12305	1.8
183.11729	0.8
185.13313	0.9
187.14867	2.3
189.11264	1.0
189.16429	0.8
191.10728	2.1
191.14246	0.9
191.64104	0.6
193.12344	2.6
199.13283	6.4
199.14937	1.1
201.16512	1.0
209.11755	4.9
211.13280	1.3
217.14404	1.0
227.12846	5.8
229.14366	44.0
243.21181	5.4
257.14001	1.5
259.20593	1.3
261.22162	15.7
261.24805	0.9
267.15915	3.4
279.23239	1.0
283.15561	2.7
301.16470	13.6
317.24878	2.9
327.23401	1.3
335.25824	85.6
336.26157	1.5
341.73334	0.8
363.25452	1.0
381.41550	0.7
399.23807	12.5
459.35052	1.6
474.45361	0.8
477.35855	8.0
489.35797	20.5
507.37158	1.0
543.37061	2.5
561.37903	7.4
579.39136	4.1
659.45184	22.2
659.55737	1.4
831.76685	0.8
871.93939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.1
65.03944	4.4
67.05509	62.7
69.03431	15.6
69.07071	39.7
69.39233	3.3
69.39644	10.2
71.04993	4.6
73.02921	4.9
77.39986	1.3
79.05495	52.9
81.03423	11.4
81.07057	59.0
83.04985	11.9
83.08616	16.6
83.41644	1.4
85.02915	6.4
85.06538	5.8
91.03963	5.6
91.05482	50.6
93.07047	47.2
95.04962	12.6
95.08608	26.7
97.02874	14.5
97.06544	10.7
97.10168	12.0
99.04485	1.8
99.08089	2.5
101.02371	2.3
105.04559	2.2
105.07037	36.8
107.04964	10.7
107.08595	31.1
107.09296	1.9
109.02898	3.6
109.06532	7.2
109.10151	20.3
109.10835	1.8
111.04469	2.3
111.08082	5.7
115.05507	3.1
116.06222	1.8
117.07029	16.8
119.08583	22.0
121.06508	7.3
121.10143	13.4
123.04467	1.9
123.08061	4.7
123.11712	4.3
125.09616	8.8
127.03970	1.9
128.06232	2.3
129.07033	5.9
131.08565	17.2
133.06516	5.9
133.10147	25.9
135.08066	6.4
135.11697	7.9
137.09660	3.7
141.06992	2.5
143.08611	7.5
145.10118	14.2
146.07326	1.7
147.08090	6.2
147.11682	7.5
148.14067	1.5
149.09618	13.2
149.13287	8.2
151.11205	6.8
153.12782	1.6
155.08618	2.7
156.94669	1.8
157.10115	7.0
159.08101	2.2
159.11691	12.2
161.09639	3.0
161.13316	2.4
163.11241	6.1
169.10199	1.5
171.11746	5.3
173.04539	2.5
173.11778	1.6
173.13287	3.3
175.11246	3.4
176.66089	1.3
177.12813	4.6
179.14487	1.4
183.11790	2.0
185.13249	3.0
187.11110	1.7
189.11220	4.1
189.12744	2.0
193.12086	1.5
195.13840	6.0
197.13402	1.9
205.12215	2.9
213.16444	1.7
223.13332	15.4
227.12711	8.1
227.17871	1.7
229.14432	2.0
245.18961	2.5
249.14882	3.4
253.14392	12.5
255.15826	9.5
257.19141	4.5
267.15988	2.8
269.17505	27.2
273.18466	18.1
275.20090	19.3
287.17233	1.6
291.19547	100.0
292.20020	2.0
309.20886	4.0
347.22275	4.8
349.23764	17.1
365.23239	54.7
367.24628	2.3
405.13544	2.5
413.17538	2.2
414.18408	1.9
416.78485	1.6
447.27710	1.7
461.28891	2.1
520.29486	4.9
541.35339	3.7
545.34656	21.5
559.36316	77.7
560.36737	2.7
621.41498	2.5
639.42596	19.3
657.43713	5.7
682.35071	4.7
731.78748	1.7
854.45844	66.5
855.46466	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.2
65.03933	0.3
67.05507	5.8
69.03431	4.8
69.07066	0.9
69.46765	1.2
69.47169	0.5
71.01356	0.7
71.04979	0.7
73.02915	5.0
75.04512	0.3
79.05490	2.4
81.03410	2.4
81.07056	4.1
83.08614	0.9
85.02904	7.8
87.04491	0.5
91.03954	5.1
91.05483	1.8
93.07040	2.5
95.04961	0.6
95.08592	3.1
97.02892	7.8
97.06538	0.3
97.10181	0.4
99.04463	1.4
101.02373	2.3
103.03947	0.5
103.05461	0.3
105.07035	1.1
107.08597	1.6
109.02885	1.0
109.06551	0.3
109.10167	3.7
111.08102	0.4
113.93938	0.2
115.03933	0.6
117.07028	0.5
117.58853	0.2
119.00751	0.2
119.07893	0.2
119.08584	1.3
121.10166	1.2
123.11745	0.3
127.03927	2.2
131.08601	0.7
133.10159	0.8
135.11717	0.6
137.09590	0.2
145.04970	0.7
147.11702	0.3
149.13264	0.3
159.11691	0.4
161.07150	0.2
173.11795	1.0
173.13214	0.3
180.87473	0.2
185.04265	1.1
195.09955	0.8
203.05345	0.6
229.14424	0.8
231.10736	0.3
231.42073	0.3
243.08437	2.2
261.22281	0.3
291.19653	0.4
296.31012	0.2
335.25693	1.1
347.09512	3.1
363.04730	0.2
363.09250	0.7
365.10660	1.2
389.00607	0.3
405.13699	6.9
413.17892	6.3
413.23166	0.5
479.29169	0.3
519.29285	7.2
560.15295	0.3
575.23199	5.3
681.34497	8.0
691.40350	2.5
853.45538	100.0
854.45905	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	854.438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	10.3
65.03934	1.7
67.05505	24.1
69.03433	5.6
69.07076	5.9
71.04986	4.8
73.02920	3.0
77.40188	0.5
79.05495	24.2
79.05965	1.2
81.03419	83.7
81.07056	30.1
81.07457	0.6
83.04489	1.0
83.04983	18.2
83.08617	30.7
85.02904	36.5
85.06547	2.4
87.04482	1.0
87.56887	0.6
87.96244	0.6
91.03972	5.5
91.05482	36.7
93.07045	19.4
95.04968	31.8
95.08601	11.0
97.02888	9.5
97.06529	3.5
97.10179	5.6
98.21473	1.2
99.04452	0.9
99.08107	1.9
103.05450	0.9
105.07029	26.2
107.04964	9.1
107.08590	8.9
109.06528	5.4
109.10148	3.3
111.04438	3.6
111.08081	14.1
111.08855	0.7
113.06007	3.4
115.05456	1.9
117.07025	2.0
119.04900	1.0
119.08583	23.7
121.06521	2.3
121.10145	10.4
122.26361	0.6
123.08083	3.6
123.11725	1.8
125.06031	0.8
125.09637	1.7
127.03921	2.5
127.07588	0.7
129.07005	14.5
131.08580	13.8
133.06519	3.7
133.10135	14.3
135.11696	0.7
137.09563	1.4
142.07765	4.8
145.05005	2.7
145.10156	2.5
147.08044	4.6
147.11690	19.6
149.09631	8.2
151.11208	0.8
157.10129	20.2
163.06009	2.8
163.11156	1.3
165.12733	4.1
175.11188	22.0
193.12247	59.1
211.13293	89.7
212.13718	1.2
249.15034	0.9
267.15918	44.6
268.16113	0.7
276.64288	0.6
285.16962	86.9
286.17371	1.1
367.22656	2.7
385.23611	4.0
429.21375	0.8
433.25845	2.8
441.26379	1.9
459.27423	37.7
460.27811	1.1
477.28500	40.6
495.29553	100.0
496.29797	2.4
621.32452	1.4
639.33521	1.8
774.44696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82722	1.2
61.02928	1.6
65.03929	2.8
67.05508	47.9
69.03426	12.1
69.07070	41.3
69.42290	5.6
69.42713	4.0
73.02905	1.7
79.05498	45.7
80.16316	1.1
81.03416	12.0
81.07056	54.0
83.04986	9.6
83.08623	16.5
85.02888	5.2
85.06554	2.4
91.05486	33.4
92.96189	1.3
93.07042	41.4
95.04963	12.1
95.08604	23.9
97.02898	13.9
97.06532	11.3
97.10159	16.4
105.04530	2.2
105.07027	26.7
107.04958	10.9
107.08589	28.7
109.06503	5.5
109.10158	14.5
111.04395	2.3
111.08068	4.0
115.05460	2.7
117.07028	13.4
119.04982	2.4
119.07809	2.0
119.08587	21.7
121.06514	6.9
121.10155	12.5
123.08057	6.8
123.11697	2.5
125.09620	14.2
127.03877	2.8
128.06245	2.2
129.05481	1.8
129.06993	5.0
130.07765	1.8
131.08578	15.4
133.06487	4.0
133.10139	17.5
135.08058	6.2
135.11723	9.0
137.09602	4.5
142.07744	1.6
143.08606	6.8
145.06525	1.2
145.10114	13.2
147.08009	5.7
147.11678	7.4
149.09647	11.4
149.13266	6.9
151.11165	3.4
155.08578	2.5
157.10095	5.4
159.08121	1.8
159.11664	9.6
161.09601	5.0
161.13237	3.1
163.11203	7.9
165.09047	2.6
169.10069	3.2
171.10199	1.5
171.11554	2.7
173.04424	1.4
173.13293	2.9
175.11154	3.9
177.12776	3.4
179.14326	1.8
181.10088	1.4
181.12212	1.9
183.11684	2.2
186.93941	1.3
189.11218	7.2
195.13733	3.8
197.13277	1.6
205.12193	1.7
223.13269	18.1
227.12787	14.2
229.19470	2.0
239.17896	2.7
245.18901	1.7
249.14951	2.7
253.14305	5.0
255.15723	6.3
256.40860	1.4
257.19006	5.6
263.20175	1.6
267.15836	1.6
269.17542	17.7
273.18488	15.0
275.17258	2.3
275.20078	23.3
291.19550	100.0
292.19937	1.3
293.21136	2.9
309.20676	2.2
331.22583	2.6
347.22198	2.9
349.23749	23.3
365.23239	47.5
367.24545	1.5
461.28714	2.2
535.32465	3.0
541.35052	2.8
543.36774	1.5
545.34619	17.9
547.37482	1.4
559.36285	54.1
621.41351	1.9
639.42554	30.6
657.43176	3.6
682.35248	1.5
854.45929	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	853.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.7
62.03809	0.6
63.55141	0.5
67.05508	7.1
69.03439	4.3
69.07072	0.9
70.37717	0.4
71.05010	0.8
71.55347	0.7
72.05281	0.5
73.02927	3.9
79.05489	2.2
81.03434	2.1
81.07059	3.2
83.08627	0.6
85.02908	7.5
91.03954	5.1
91.05508	2.0
93.07049	2.6
95.08633	2.3
95.93462	0.5
97.02891	5.8
97.06554	0.5
98.21156	0.6
99.04464	0.9
101.02395	2.0
101.54092	0.4
105.07040	1.1
107.08607	1.2
109.02897	1.0
109.10175	5.9
117.07026	0.5
119.08595	1.8
121.10120	0.8
127.03976	2.2
133.10153	1.0
133.11661	0.6
134.37440	0.5
135.11723	0.7
137.09682	0.6
145.05005	0.8
147.31161	0.6
155.10701	0.9
162.44269	0.5
173.11784	1.3
181.46156	0.5
185.04300	1.2
203.05318	1.0
229.14395	1.1
243.08623	1.5
269.38806	0.6
273.18652	0.6
278.72983	0.5
280.42899	0.5
347.09286	2.8
365.10474	0.8
405.13690	7.7
413.17859	9.4
422.97580	0.5
519.29193	5.7
553.06427	0.5
575.23126	10.8
681.34650	4.8
691.40741	2.3
853.45557	100.0
854.46191	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	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.9
61.02927	12.0
61.30627	0.4
65.03926	2.7
67.05505	100.0
68.05836	0.6
69.03435	2.8
69.07066	8.3
70.98319	0.5
70.98654	0.7
71.04984	3.3
71.08649	0.5
71.80306	0.4
73.02914	4.3
77.03972	0.4
79.05493	21.9
81.03415	1.5
81.07056	41.6
83.04983	1.3
83.08620	9.6
85.02907	15.0
85.06541	2.9
91.03961	9.8
91.04898	0.7
91.05481	15.5
93.07046	30.4
95.04964	1.5
95.08608	29.0
96.04515	0.6
97.02893	8.3
97.06527	1.6
97.10170	2.3
99.04469	0.8
99.08100	1.3
105.04548	0.6
105.07032	8.5
107.08595	17.0
109.02870	0.5
109.06515	1.4
109.10155	81.8
111.08080	4.3
113.09670	0.6
115.04018	0.6
117.06996	3.2
118.53161	0.4
119.08582	11.4
121.10147	14.1
122.14892	0.4
123.08087	0.6
123.11678	4.5
125.09630	1.4
127.03932	3.1
127.11172	0.6
129.07092	0.5
131.08572	6.5
133.10124	6.0
135.08109	0.6
135.11694	8.7
137.09595	4.3
137.13252	1.1
139.11189	0.7
145.04967	4.8
145.10132	4.3
147.11711	4.1
148.61671	0.4
149.13255	6.1
155.10670	8.1
159.11722	4.6
161.13289	2.5
163.05997	5.3
163.14798	2.9
173.11746	17.5
173.13277	4.3
175.14830	0.9
177.16325	1.5
187.14835	1.9
189.11136	0.9
201.16444	0.5
227.12784	7.0
229.14349	97.2
230.14717	1.0
233.22612	0.8
243.21083	5.9
261.22156	22.5
277.21793	0.5
279.23248	0.6
317.24884	3.0
335.25797	83.4
373.18445	0.7
379.29980	1.2
397.31058	2.0
415.32043	1.2
471.34592	3.0
489.35757	89.1
490.35941	1.9
507.30005	0.8
507.36874	9.5
511.46048	0.5
633.39435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.0
67.05505	4.5
69.03433	2.6
69.07066	2.8
69.87162	2.0
69.87584	1.3
71.04971	0.6
73.02924	3.0
79.05495	4.6
81.03423	1.8
81.07069	4.7
85.02911	3.7
89.72483	0.5
91.03964	2.6
91.05480	4.2
93.07037	4.5
95.05009	0.7
95.08623	3.1
97.02890	3.8
97.06568	0.7
98.21478	1.0
101.02382	1.3
103.03992	0.6
105.07080	2.4
106.65758	0.6
107.08627	2.2
109.10186	1.4
111.18260	0.5
116.20561	0.5
117.07003	0.6
119.08602	2.6
121.10159	2.0
125.23750	0.5
127.03962	1.9
129.07027	0.8
131.08687	1.2
133.10173	2.0
133.15811	0.5
135.11734	1.2
143.08665	0.6
147.11682	1.2
151.94682	0.5
173.13333	0.7
180.75462	0.5
184.07314	0.7
185.04195	0.6
203.05237	1.1
243.08391	4.0
280.68515	0.6
301.09024	1.6
315.10812	0.9
333.20300	2.8
373.23322	0.8
389.23386	0.8
429.17654	0.9
439.19489	0.7
453.21173	0.9
535.28845	6.8
551.28333	6.6
599.75775	0.6
623.30463	1.3
747.42279	0.7
845.50214	100.0
846.50079	3.7
856.33093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.8
61.02645	0.7
61.02932	10.6
62.73972	0.4
65.03953	1.9
67.05508	81.8
69.03434	2.7
69.07070	6.7
69.25639	0.9
69.26036	3.6
71.04990	3.2
71.08623	0.4
73.02915	3.5
79.05495	15.1
81.03417	1.1
81.07060	32.2
83.05000	1.3
83.08624	7.4
85.02908	12.9
85.06548	2.9
87.04458	0.4
91.03957	8.5
91.05485	11.1
93.07046	21.2
93.58728	0.4
95.04977	1.2
95.08609	22.6
96.04494	0.7
96.36913	0.3
97.02892	6.9
97.06517	1.8
97.10178	1.7
98.21119	1.9
99.04465	0.9
99.08087	1.3
103.03963	0.6
105.04553	0.4
105.07034	6.6
107.08596	12.5
109.02877	0.7
109.06538	1.1
109.10161	71.3
111.08102	2.5
115.03926	0.8
117.07018	2.8
119.08579	10.4
120.62035	0.4
121.10144	9.9
123.08056	0.6
123.11715	3.8
124.51985	0.4
125.09637	1.0
127.03920	3.2
131.08569	5.6
133.10138	4.8
135.11694	6.4
137.09631	2.8
137.13264	1.1
139.11157	0.4
145.04958	4.5
145.10135	3.6
147.11708	3.2
149.13255	4.7
151.11162	0.4
151.14886	0.4
155.10663	6.2
159.11722	3.1
161.13269	2.9
163.06010	4.3
163.11194	0.6
163.14835	2.9
173.11771	18.3
173.13263	2.6
175.14862	1.3
177.16422	1.0
184.07289	0.6
185.13278	0.4
187.14880	1.6
189.11192	0.9
189.16479	0.4
227.12798	8.7
229.14360	100.0
230.14713	0.7
233.22810	0.5
243.21112	5.1
261.22137	17.1
276.67563	0.4
299.23721	0.6
317.24774	3.2
335.25806	62.9
336.26135	1.5
373.18106	0.5
378.56964	0.4
379.29913	1.4
397.31082	2.5
415.32056	1.7
471.34955	2.8
489.35764	48.8
490.36249	1.5
507.36841	7.8
848.50946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	2.0
61.02917	2.4
65.03950	3.9
67.05507	100.0
69.03432	2.9
69.07072	20.9
69.15480	1.5
70.76163	1.8
71.04973	4.2
71.55550	1.9
71.66550	1.5
74.80106	1.8
79.05495	49.1
81.03430	4.4
81.07057	73.8
83.04975	2.5
83.08611	16.1
85.02883	2.5
85.06534	4.4
86.09700	2.8
91.05483	36.3
92.12918	1.7
93.07051	61.8
95.04970	5.6
95.08609	51.6
97.02938	2.2
97.06522	6.9
97.10180	8.2
99.08071	2.1
103.21543	1.8
105.07032	30.7
107.04949	4.4
107.08595	42.0
109.06503	3.8
109.10165	47.1
111.08087	4.9
117.06258	1.8
117.06995	11.0
119.08581	20.4
121.10149	28.8
123.08089	3.1
123.11708	7.0
125.09615	4.4
129.07031	3.7
131.08553	19.3
133.10126	20.3
135.08058	4.1
135.11691	16.4
137.09648	5.3
143.08511	3.2
145.10144	12.6
147.11705	12.8
149.09602	4.8
149.13281	10.4
151.11191	3.6
155.10710	2.0
156.58493	2.0
157.10106	2.9
159.11678	10.4
161.13248	6.6
163.11203	1.7
163.14824	3.3
171.11702	5.1
173.11726	9.0
173.13255	4.7
175.14778	2.9
184.07315	7.9
185.32603	1.6
187.14758	2.1
189.11287	2.4
227.12793	7.8
229.14352	30.8
243.21106	3.9
255.47310	2.2
257.18961	2.7
261.22183	12.5
269.17404	13.2
275.20062	21.9
293.20993	3.4
309.20667	4.0
317.24667	1.9
333.24393	2.0
335.25815	97.7
336.26184	2.6
349.23804	19.6
367.24802	14.1
411.81808	1.9
475.11191	1.8
489.35812	27.0
507.36734	2.8
529.38861	35.0
569.42120	19.5
609.36249	2.4
609.45111	34.2
627.46460	18.9
839.76105	2.0
842.46411	3.2
843.47711	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	838.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	9.1
61.15271	1.1
65.03954	2.2
67.05507	50.6
69.03435	7.0
69.07071	14.0
71.04990	7.2
71.54696	1.1
73.02908	4.7
79.05497	35.5
81.03423	54.1
81.07060	61.7
83.04989	12.9
83.08143	2.0
83.08620	27.5
85.02910	26.1
85.06543	4.1
89.25116	1.0
91.03961	6.5
91.04913	1.5
91.05485	35.0
93.07050	43.5
95.04965	23.0
95.08611	16.9
97.02900	8.1
97.06523	11.1
97.10147	4.5
99.08091	2.8
105.07039	18.5
107.04953	5.3
107.08595	20.6
109.06519	3.8
109.10130	5.6
110.80979	1.1
111.04411	2.6
111.08099	12.2
113.05985	1.8
116.15454	1.3
117.07002	7.0
119.07811	1.5
119.08586	17.2
121.06533	2.9
121.10145	19.8
123.08018	2.1
123.11684	2.8
125.09593	1.3
127.03915	2.1
129.07011	6.5
131.08568	13.1
133.06499	1.8
133.10123	13.1
135.08061	2.6
135.11667	5.2
137.09625	1.7
142.07843	2.6
145.04930	1.8
145.10164	1.5
147.04404	2.1
147.08034	3.6
147.11679	11.1
149.09590	4.7
149.13280	15.4
156.44698	1.3
157.10136	12.4
157.11360	1.7
159.11713	8.9
163.06059	1.2
165.12743	3.5
175.11220	12.0
177.12773	4.4
193.12254	30.2
195.13800	5.7
211.13304	34.8
267.15906	29.7
267.52820	1.2
269.14572	2.7
269.17480	56.3
285.16980	25.2
435.27365	2.9
461.29007	78.2
462.29214	1.8
479.30081	100.0
480.29861	2.6
623.34204	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	6.4
61.67248	3.5
65.03943	5.6
67.05505	85.5
68.15050	3.5
69.03418	12.6
69.07067	36.1
69.23693	38.0
71.04961	6.7
73.22518	4.0
79.05498	70.7
81.03405	10.1
81.07057	100.0
81.17664	3.5
83.04995	11.9
83.08614	17.9
85.02900	6.5
85.06517	4.4
91.05485	84.9
92.14703	3.6
93.07046	82.8
95.04953	11.1
95.08606	57.2
97.02888	7.1
97.06518	11.8
97.10152	12.4
105.07036	83.8
107.08595	47.9
109.06522	8.7
109.10190	23.6
111.08068	4.8
115.05472	3.9
117.07014	28.0
119.08592	58.8
121.06538	3.7
121.10117	30.9
123.08101	4.1
123.11721	9.1
124.05804	3.7
124.06701	4.0
125.09595	5.6
125.40225	3.6
128.06184	9.0
129.05486	6.1
129.07045	20.3
131.08578	44.9
133.10138	47.5
135.08063	8.2
135.11664	22.7
137.09613	6.7
142.07753	4.3
143.08546	23.0
145.10135	35.5
147.11682	35.4
149.09624	13.2
149.13255	8.8
155.08522	12.6
157.10146	20.2
159.11681	30.1
161.13271	19.0
163.11174	10.8
167.08496	4.3
169.10141	15.2
171.11678	23.6
173.13258	10.9
175.14839	6.0
177.12813	6.8
181.10075	4.2
183.11668	12.9
185.13266	14.2
187.14874	6.5
189.16449	4.5
193.10045	4.6
195.11772	6.4
197.13319	10.9
199.14835	4.5
201.16354	4.9
206.61150	3.9
209.13239	7.4
211.14851	5.7
212.11726	3.8
221.13165	5.1
229.14413	5.3
229.19522	5.7
236.10333	4.6
241.19443	14.2
259.20581	45.6
264.42603	4.0
269.17459	15.1
273.18491	4.6
275.20190	21.6
276.29297	3.6
293.86353	3.8
305.18762	3.8
313.21548	5.6
313.56244	4.8
315.23239	4.1
333.24316	48.7
349.23669	16.1
435.32614	4.8
453.33566	5.7
513.35767	28.4
527.37225	38.7
545.37817	6.2
607.43420	30.8
625.44537	33.5
729.09003	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.8
67.05505	4.7
69.03445	3.0
71.08625	2.0
71.56962	0.6
71.57417	0.5
73.02922	4.9
79.05505	0.7
81.03416	2.3
81.07060	1.9
83.08631	1.4
85.02914	8.7
91.03956	4.4
91.05483	0.9
93.02708	0.6
95.08603	1.6
97.02913	7.0
99.04462	1.5
101.02393	3.1
109.02883	1.4
109.10166	7.0
119.08628	0.8
126.33295	0.5
127.03917	2.7
145.04921	0.9
155.10893	0.6
173.11778	2.0
184.07455	0.6
185.04288	1.2
195.09886	0.7
203.05228	0.8
229.14346	1.1
243.08492	2.3
313.27429	1.4
347.09399	3.4
365.10626	1.8
405.13687	7.4
413.17844	14.3
413.23148	1.0
414.18326	0.6
444.99225	0.6
497.30862	7.0
575.23181	15.3
659.36078	5.7
669.41870	4.0
831.47113	100.0
832.47211	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	829.6764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03814	1.7
61.02928	5.1
65.03942	3.7
67.05504	81.7
69.03419	2.9
69.07071	45.4
69.38618	7.5
69.39058	6.4
71.05009	2.4
71.08663	2.1
79.05495	36.0
81.03426	2.4
81.07056	100.0
83.04982	4.8
83.08617	26.6
85.02924	5.9
85.06548	4.3
91.03979	3.0
91.05490	24.0
93.07053	38.0
95.08609	91.8
97.02892	5.7
97.06548	9.1
97.10168	23.9
98.20814	3.8
99.08124	6.3
105.07034	23.9
107.08598	31.4
109.06483	2.2
109.10159	40.3
109.10838	3.0
111.08112	7.8
111.11746	6.6
113.09658	2.1
117.07053	2.5
119.08590	19.5
121.10147	50.0
123.08102	2.5
123.11695	19.1
125.09652	5.5
131.08575	4.6
133.10132	24.2
133.10960	2.2
135.11694	46.5
137.09634	4.8
137.13277	8.0
139.11250	5.1
143.08591	1.8
145.10155	4.7
147.11668	14.8
149.13329	7.7
151.11183	4.0
151.14874	3.7
153.12769	2.9
158.16699	1.8
159.11717	3.2
161.13249	14.3
165.12799	3.1
173.13242	2.2
175.14836	8.0
184.07439	2.5
193.19585	2.4
217.19489	24.9
217.21317	2.3
233.19046	1.8
235.20551	42.2
243.08470	2.8
253.21695	28.1
271.22800	6.8
318.58505	1.9
333.20230	2.8
432.22311	1.8
451.39429	4.0
469.40302	22.0
487.41513	86.7
488.41962	2.6
505.42502	65.3
506.43350	1.8
519.29388	7.8
523.43768	6.3
551.28632	3.7
641.05853	2.1
721.61633	7.0
739.62262	30.3
757.63306	30.7
775.64386	6.3
829.50745	82.0
830.50983	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	829.6343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53092	0.8
63.13888	0.8
65.03941	3.4
65.79807	0.8
65.89989	0.8
67.05509	58.7
69.07073	25.9
69.22260	9.1
71.04996	3.1
71.08647	1.1
72.95400	0.9
76.21098	0.9
77.03941	1.7
79.05498	48.9
81.03433	1.2
81.07062	68.7
83.04995	3.7
83.08624	16.0
85.06557	3.0
91.05488	35.0
93.07052	57.3
95.04976	4.2
95.08613	57.9
97.06526	3.5
97.10164	9.3
99.08115	1.6
103.05457	2.3
105.04514	2.0
105.07039	40.8
107.08601	36.3
107.09301	1.8
109.06543	3.0
109.10158	23.9
111.08123	1.8
111.11734	1.1
113.06001	0.9
115.05456	1.8
117.07022	23.5
119.08587	40.3
121.10154	24.8
123.08081	4.0
123.11717	9.7
125.09644	2.2
127.07571	1.6
128.06239	4.1
129.07024	17.4
130.07797	1.5
131.08580	33.4
133.10139	31.0
135.08069	2.6
135.11703	22.6
137.09651	2.4
137.13303	3.2
141.06973	7.4
142.07796	5.6
143.08574	23.3
144.09360	1.4
145.10130	29.8
147.11700	19.0
149.09654	2.0
149.13272	12.1
151.14867	1.9
153.07001	2.1
155.08559	15.2
156.09381	2.7
157.10133	22.9
157.11319	1.6
158.10905	1.1
159.11710	22.5
161.13264	11.4
163.11224	2.0
163.14867	4.1
165.07072	2.6
166.07925	1.2
167.08588	7.1
167.10786	1.1
168.09384	2.6
169.10152	17.3
170.10970	1.9
171.11703	22.5
171.13158	1.7
173.13275	14.3
175.14815	6.7
177.16405	2.1
178.07822	1.2
179.08589	4.2
180.09360	2.2
181.10155	11.4
181.11745	1.4
181.12259	1.1
182.10815	0.9
183.11703	13.7
185.13257	16.2
187.14835	8.8
189.16389	2.6
191.08542	1.1
192.09351	1.5
193.10158	5.8
194.10976	1.1
195.11748	11.7
195.13770	2.1
196.12396	1.2
197.13278	14.1
199.14819	10.8
201.16479	4.1
203.14279	0.9
205.10211	3.5
206.10942	1.8
207.11749	7.9
207.13635	1.6
209.13350	9.3
209.15283	1.4
210.14119	1.1
211.14853	7.1
213.16461	6.8
215.18019	2.5
217.10342	1.3
219.11778	2.2
220.12575	1.0
221.13292	6.6
221.15379	2.4
223.14880	6.1
223.16919	2.0
225.16382	6.8
227.17967	3.6
231.17581	1.1
233.13293	2.8
235.14903	3.7
235.17036	2.7
237.16400	4.6
237.18591	2.3
239.17989	3.4
241.19641	3.8
247.14856	2.2
247.17186	1.8
249.16414	3.0
249.18654	3.1
251.17885	2.3
251.20224	2.7
253.19684	1.3
255.21196	1.1
259.20605	2.0
261.16245	1.9
261.18665	1.6
263.17892	2.3
263.20200	4.0
265.19522	1.8
267.21103	1.1
271.17065	1.4
271.20697	1.3
273.16125	1.1
273.18698	1.2
275.20227	2.9
277.18817	2.1
277.21680	30.1
277.24689	1.5
281.19012	1.0
283.20465	1.2
287.20282	2.1
289.21750	2.6
291.23477	1.0
297.18555	1.7
297.22211	1.4
301.21780	2.9
303.23401	3.3
307.20834	1.3
311.20309	1.5
311.23669	1.3
313.21573	3.1
315.23303	4.3
317.24905	2.5
325.21790	1.8
327.23499	1.8
329.24933	2.6
331.26425	4.1
339.23383	1.7
341.24820	2.3
343.26343	2.8
345.28220	3.2
349.25305	1.3
351.23160	1.7
353.24829	1.4
355.26447	2.7
357.27893	7.6
359.29480	3.1
365.24777	1.8
367.26413	1.9
369.28030	4.3
371.29456	6.9
381.28061	3.0
383.29257	5.8
385.26508	1.0
385.30908	4.9
395.29565	2.8
397.31125	2.1
405.28082	1.7
407.29477	2.3
409.31134	3.4
411.32965	1.1
421.31281	1.3
431.32196	2.6
433.32040	1.7
435.32874	1.7
443.31671	2.4
445.32932	4.2
447.33920	2.1
457.33008	4.8
459.34488	4.1
471.34647	5.5
473.36514	4.7
481.32977	1.1
483.35022	1.7
485.36539	2.2
489.37769	1.1
497.36530	2.5
499.37900	2.5
503.39117	1.8
539.41022	2.6
551.40991	5.7
552.42615	1.5
553.42566	7.9
565.42908	1.0
577.42657	2.2
579.43726	2.2
589.42865	1.0
593.45929	1.1
603.43756	1.4
617.45789	1.6
633.49066	1.8
645.47974	1.6
659.50806	1.2
759.55701	4.1
760.55975	1.7
793.61432	3.7
811.62311	7.5
829.63409	100.0
830.63696	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	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73535	0.3
61.02930	5.8
63.80529	0.4
64.08414	0.4
65.03953	0.7
67.05505	12.6
69.03442	2.7
69.03753	0.5
69.07069	5.0
69.74020	2.4
71.01342	0.4
71.04997	0.8
73.02912	4.2
79.05495	7.3
81.03426	1.6
81.07056	15.1
83.04994	0.6
83.08619	3.8
85.02904	5.2
85.06549	0.7
86.51089	0.3
87.04482	0.7
87.68937	0.3
91.03957	3.4
91.05473	5.0
93.07045	7.8
95.04983	1.0
95.08607	12.0
96.57777	0.4
97.02896	4.3
97.06562	1.0
97.10183	2.8
99.04443	0.4
99.08110	0.5
101.02382	1.6
103.63566	0.3
105.07026	3.8
107.08588	5.5
109.02898	0.7
109.06548	0.6
109.10155	4.3
111.08116	0.9
111.11705	0.6
115.03943	0.7
117.07005	0.5
119.08596	3.3
121.10136	5.4
123.11739	1.7
125.09670	1.1
127.03932	1.4
131.08583	1.2
133.10129	2.5
135.11687	4.8
137.09627	0.6
137.13246	0.9
144.85139	0.4
145.10173	1.0
147.11667	2.2
149.13286	1.3
151.11192	0.5
159.11720	0.6
161.13324	1.4
173.13313	0.5
175.14882	0.7
181.76996	0.3
184.07442	0.6
185.04286	0.8
185.13394	0.4
190.72340	0.4
193.37634	0.5
215.17938	0.5
217.19414	1.9
227.49088	0.4
235.20564	4.5
243.08376	2.7
253.21629	2.8
271.22635	0.7
306.03143	0.4
313.08856	0.4
333.20212	2.5
335.26022	0.6
340.06186	0.5
356.01700	0.4
469.40353	2.2
487.41422	7.3
505.42502	6.5
519.29315	7.9
523.44116	0.5
551.28192	2.3
693.59186	0.5
721.61169	0.6
739.61987	3.0
757.63208	3.5
775.64862	0.6
829.50696	100.0
830.50836	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.3
67.05509	5.2
69.03430	2.6
69.07072	2.0
71.55540	1.2
72.05589	0.7
73.02917	3.3
79.05499	5.1
81.03423	2.1
81.07059	4.3
83.08614	0.8
85.02901	4.7
91.03970	2.3
91.05484	6.1
91.27602	0.7
93.07058	7.1
95.04989	0.9
95.08616	3.6
97.02892	3.5
101.02411	1.7
105.07064	3.8
107.08621	2.5
109.02890	0.9
109.10188	1.9
112.68019	0.6
112.70244	0.8
117.07069	1.5
119.08591	3.1
121.10166	1.7
127.03907	1.6
131.08594	1.2
133.10168	2.8
135.11737	1.5
140.90697	0.6
143.08658	0.8
145.10121	1.5
147.11728	1.9
149.13170	0.7
159.11728	1.1
161.13293	1.1
184.07368	1.0
185.04266	1.6
190.22063	0.6
217.49382	0.6
243.08385	3.3
301.09076	2.0
313.09116	0.7
313.27426	1.2
315.10770	1.0
317.20920	1.3
465.21216	1.6
495.22092	0.8
525.22858	1.2
535.28748	13.8
607.30743	1.6
829.50726	100.0
830.50482	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.6
67.05505	6.6
67.69823	0.3
69.03428	3.3
69.07068	2.1
69.38060	2.5
71.01353	0.7
71.04993	0.7
73.02921	4.4
79.05495	4.5
81.03414	1.6
81.07059	7.3
83.04988	0.6
83.08627	0.7
85.02901	5.7
85.03374	0.5
91.03957	3.7
91.05477	3.2
91.82735	0.3
93.07046	5.0
95.04984	0.7
95.08613	4.7
95.09180	0.4
97.02899	5.3
97.06533	0.4
98.21461	0.6
99.04480	0.8
101.02386	2.4
103.03960	0.4
105.07027	2.6
106.96243	0.3
107.08585	2.3
109.02907	1.0
109.06572	0.3
109.10164	1.6
115.03979	0.3
117.07031	0.9
119.08569	1.5
121.10144	2.1
123.11685	0.5
123.57521	0.4
127.03933	1.7
129.07033	0.4
131.08522	1.4
133.10172	1.4
135.11685	1.3
145.10178	0.5
147.11772	0.5
149.13280	0.7
159.11687	0.5
173.13295	0.4
185.04286	0.9
203.05325	0.5
243.08420	3.0
259.07843	0.4
307.19214	0.3
333.20343	4.7
335.26083	0.9
439.19791	0.4
453.21265	0.9
519.29285	7.7
551.28143	3.5
644.80707	0.3
731.43939	0.7
829.50690	100.0
830.51117	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54048	0.5
61.02933	4.7
67.05505	9.6
69.03431	3.8
69.07063	2.0
71.05001	0.9
71.38028	0.6
73.02915	3.7
79.05493	5.7
81.03426	1.6
81.07061	8.1
83.04984	1.4
83.08615	0.9
85.02895	6.1
91.03471	0.5
91.03971	2.3
91.05482	5.3
92.05830	0.5
93.07043	5.3
94.07420	0.6
95.04993	1.3
95.08608	6.6
97.02882	4.8
97.06519	0.8
97.10172	0.6
99.04493	0.7
101.02393	1.1
105.07040	4.0
107.04964	1.3
107.08604	3.3
109.02893	0.9
109.06512	0.6
109.10154	2.9
119.08595	1.6
120.14323	0.6
121.10160	2.0
127.03950	1.0
131.08543	1.4
133.06578	0.6
133.10132	3.2
135.11681	1.0
145.10124	1.1
147.11632	0.6
149.09637	0.8
151.11182	0.5
159.11716	1.2
159.49478	0.5
161.13251	0.8
173.13213	0.5
185.04268	1.2
243.08441	2.9
275.20105	0.8
294.23273	0.5
331.18744	3.1
335.25836	1.3
336.26117	0.8
337.27444	1.4
338.27750	0.9
387.21680	0.9
428.91885	0.7
519.29364	5.4
530.39569	1.0
549.26941	2.4
612.47418	1.4
809.47968	1.4
827.49188	100.0
828.49860	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	826.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	2.3
61.02930	9.3
65.03941	0.8
67.05507	55.8
69.03427	2.3
69.07074	5.0
71.05000	2.8
71.08635	14.9
73.02917	3.3
75.04486	0.4
79.05502	1.5
81.03429	0.4
81.07062	13.2
83.08621	9.0
85.02907	11.2
85.06554	2.3
85.10184	9.6
85.10667	0.8
89.06033	0.8
91.03958	7.1
91.05487	3.1
93.07045	2.7
95.08607	13.6
97.02898	5.7
97.10172	2.9
98.93317	0.4
99.04443	0.8
99.08122	0.6
103.07562	0.9
107.08614	1.1
109.02885	0.5
109.10159	58.8
110.10546	0.4
111.08091	2.7
111.11702	0.5
115.03942	0.6
119.08581	4.3
123.11725	1.8
125.09579	0.5
126.04134	0.4
127.03944	3.1
127.11209	0.6
128.90599	0.4
137.09615	2.9
137.13269	0.9
145.04950	3.6
155.10680	4.8
163.06021	3.3
165.16371	0.5
173.11748	16.6
184.07376	1.1
229.14357	100.0
230.14728	1.1
239.23703	1.6
257.24741	1.5
299.14572	0.4
313.27374	75.7
314.27731	1.3
342.61194	0.4
373.18793	0.7
467.37350	67.3
468.37485	1.6
470.68524	0.4
826.47931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00275	0.8
61.02934	7.5
62.85517	0.8
65.03938	0.9
67.05505	12.2
69.03439	5.1
69.07079	3.7
69.78922	2.0
69.79332	2.4
71.01373	1.1
71.05003	0.8
71.48281	0.7
73.02573	0.9
73.02913	5.5
79.05488	6.0
81.03415	2.1
81.07064	11.4
83.04988	1.6
83.08630	2.1
85.02900	6.9
86.64920	0.8
91.03960	3.3
91.05484	6.2
93.07050	7.4
94.07384	0.9
95.04959	1.7
95.08617	8.8
97.02907	7.4
97.06569	0.9
99.04467	1.8
101.02380	1.5
105.07028	4.0
107.08588	3.8
107.64187	0.7
109.06490	1.2
109.10168	3.5
115.16606	0.8
117.07019	2.3
119.08598	3.4
121.10185	2.4
123.11760	0.9
127.03960	2.0
131.08533	1.5
133.03993	0.7
133.10153	2.2
135.11713	2.0
145.10107	1.3
147.11717	2.3
149.09665	1.5
159.11708	1.4
161.13339	1.3
166.77141	1.0
227.12778	1.1
243.08394	3.0
269.17581	1.8
301.08835	1.1
313.17804	2.0
315.05124	0.8
317.08499	0.9
331.18695	4.6
335.26169	1.1
337.27548	3.0
338.27856	1.9
424.39209	0.8
519.29468	9.0
531.40540	1.9
532.40771	1.4
549.27136	0.9
612.47241	1.2
729.42108	1.4
808.86615	1.0
809.01929	0.9
809.48181	8.2
827.49139	100.0
828.49591	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	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.9
65.03917	0.6
65.22446	0.5
67.05509	9.2
69.03432	2.8
69.07066	1.9
71.05004	0.8
73.02911	3.8
78.77579	0.5
79.05499	3.6
81.03420	1.3
81.07057	6.2
83.08621	1.1
85.02903	5.9
85.06551	0.6
85.10178	0.6
91.03438	0.7
91.03944	3.4
91.05467	3.5
93.07031	4.3
95.08596	4.3
96.39146	0.4
97.02905	4.1
97.10168	0.6
99.04494	0.7
101.02371	1.5
105.07025	2.3
107.08614	2.1
109.02853	0.9
109.10132	4.2
110.10468	0.8
117.07075	1.1
119.08621	1.9
121.10187	1.9
123.08107	0.6
123.11761	1.0
127.03943	1.9
131.08594	1.6
133.10178	0.8
135.11716	1.0
145.10161	0.9
147.11699	0.9
153.56294	0.5
159.11716	0.8
173.11868	0.7
185.04282	0.8
203.05383	0.9
229.14307	3.0
230.14812	1.3
243.08345	2.7
251.19998	0.8
272.39090	0.5
313.27542	1.8
314.27838	1.5
331.18814	7.5
331.22168	0.7
348.43143	0.5
374.12936	0.6
467.37311	1.2
468.37830	2.1
519.29236	6.4
549.26929	3.2
827.49139	100.0
828.49408	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	0.3
61.02924	6.2
67.05507	5.7
68.06795	0.2
69.03435	3.7
69.07064	2.3
69.30312	2.2
71.01353	0.6
71.04994	0.5
73.02918	4.3
79.05491	4.5
81.03416	2.4
81.07056	5.6
83.04990	0.6
83.08620	1.1
85.02905	6.3
87.04472	0.3
88.53267	0.2
91.03954	3.3
91.05476	3.2
93.07048	4.5
95.04977	0.9
95.08606	4.6
97.02886	5.3
97.06521	0.5
97.10178	0.8
98.20715	0.5
99.04478	0.9
101.02379	1.9
103.03931	0.4
105.07027	1.6
107.08581	2.5
109.02886	1.0
109.10155	2.0
115.03941	0.5
117.07017	0.8
119.08582	1.3
121.06504	0.3
121.10135	1.6
125.09624	0.8
127.03877	1.3
131.08583	0.9
133.10156	0.9
134.36055	0.3
135.08119	0.4
135.11734	0.9
145.10165	0.5
147.11717	0.6
149.09560	0.2
149.13271	0.6
159.05460	0.3
173.13403	0.3
185.04247	0.7
203.05319	0.6
223.13393	0.9
243.08397	2.7
254.12770	0.3
291.19641	0.9
331.18777	2.2
335.25726	0.8
497.30997	0.3
503.66873	0.3
519.29260	8.6
549.26843	3.0
576.19525	0.3
591.31421	0.3
668.32245	0.3
750.73090	0.3
827.49133	100.0
828.49609	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	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	1.6
61.02912	2.8
65.03929	4.8
66.30196	1.1
67.05508	83.6
67.60516	1.3
69.03427	5.9
69.07071	30.7
69.24290	1.3
69.24585	12.2
71.04986	5.0
79.05496	73.1
81.03435	5.9
81.07062	82.9
83.04990	7.5
83.08615	16.0
85.02898	5.6
85.06535	4.4
91.04900	1.9
91.05485	52.8
93.07047	71.2
95.04990	7.1
95.08611	57.2
97.02882	4.1
97.06544	9.9
97.10178	13.7
99.04448	1.5
99.08088	2.3
105.04436	1.3
105.07038	48.7
105.18949	1.1
107.04965	6.1
107.08600	44.8
109.02878	2.4
109.06535	6.9
109.10165	27.3
111.04456	2.0
111.08082	4.3
113.06007	1.6
115.05436	2.0
117.07020	19.6
119.08590	33.4
121.06502	4.0
121.10144	30.3
123.08057	5.6
123.11715	7.6
125.09637	10.6
127.03920	2.0
128.06259	2.2
129.05501	2.3
129.07019	7.3
131.08578	24.8
133.06493	1.3
133.09119	1.7
133.10138	25.8
135.08066	3.0
135.11703	17.3
137.09659	3.3
137.13254	1.9
139.11212	1.5
141.07021	1.9
143.08557	7.3
145.10124	22.6
147.11702	20.7
149.09612	11.7
149.13278	6.3
151.11156	1.2
155.08531	2.0
157.10150	7.1
159.08125	1.3
159.11690	17.9
161.09599	1.4
161.13275	9.1
163.11172	6.3
163.14757	3.0
165.12787	1.5
169.10144	3.3
171.10257	1.6
171.11670	4.8
173.11842	1.7
173.13260	11.7
175.11176	2.5
175.14793	2.2
177.12761	1.9
179.14268	2.2
181.10146	1.6
183.11589	2.4
184.07336	1.4
185.13243	6.6
187.14792	3.3
189.11249	5.8
191.14365	1.5
197.13226	2.9
199.14711	2.1
201.16403	2.4
203.14226	2.5
211.14795	1.5
219.17384	3.8
227.12770	14.3
229.14241	7.3
229.19501	2.2
239.17955	3.9
243.21107	2.1
247.20651	2.6
257.18994	11.3
259.20517	4.7
261.22128	10.3
267.15854	5.0
269.17474	3.4
275.20074	44.5
276.20471	1.7
277.21564	2.3
289.21298	1.3
293.21118	3.0
309.20972	1.2
317.24847	2.7
331.22552	3.7
333.24268	1.8
335.25818	100.0
336.26520	1.6
349.23758	47.9
351.25562	1.8
373.18625	1.4
431.31464	1.4
487.34396	1.4
489.35822	9.8
505.35080	5.1
515.36871	2.7
529.39099	6.9
545.38806	1.5
555.40338	1.7
569.41443	3.0
609.45166	72.0
610.45166	2.4
627.46375	12.0
825.47205	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	1.7
59.11374	1.3
61.02922	2.8
61.28724	1.3
61.29073	1.3
65.03942	5.5
67.05508	90.6
69.03436	6.9
69.07073	25.3
69.77655	7.0
71.04988	5.3
73.02905	1.9
77.03922	1.4
79.05495	70.6
81.03410	6.1
81.07060	87.4
83.04994	6.6
83.08623	17.1
85.02887	4.8
85.06540	3.9
91.03957	1.5
91.05486	55.6
93.07047	67.6
95.05003	7.6
95.08608	63.7
97.02889	4.2
97.06528	10.7
97.10175	16.1
99.04412	1.9
99.08099	3.5
101.22222	1.4
103.05488	1.4
105.04501	2.2
105.07038	46.1
107.04959	4.6
107.08604	49.4
109.02853	2.1
109.06493	6.4
109.10161	29.9
111.08099	5.1
115.05445	2.2
115.07574	1.3
117.07022	18.2
119.06042	1.7
119.08582	34.2
121.06483	3.2
121.09310	2.8
121.10138	27.5
123.08087	4.9
123.11703	6.3
125.09634	11.8
127.03905	1.6
128.06223	1.3
129.05513	2.3
129.07022	8.0
131.08565	26.8
133.10143	25.1
135.08075	4.7
135.11708	16.8
137.09654	4.1
137.13254	2.5
138.32924	1.3
141.07068	2.0
143.08575	8.5
145.10132	26.4
147.08018	1.7
147.11702	19.8
149.09621	8.6
149.13210	8.7
154.07834	1.4
155.08531	3.1
157.10143	6.5
159.11699	25.0
161.09636	1.7
161.13257	8.0
163.11154	3.7
163.14844	2.9
165.12737	1.9
169.10124	4.8
171.11722	5.5
173.13263	10.1
175.11221	2.0
175.14838	2.8
177.12750	2.8
183.11670	4.3
185.13225	6.8
187.11264	1.6
187.14801	3.4
189.11246	7.2
189.16388	2.4
195.11740	1.4
197.13197	4.2
199.14896	2.8
201.16299	2.8
203.14308	3.4
209.13237	1.5
215.17868	1.6
217.15950	1.4
219.17511	4.6
221.15326	1.6
227.12740	15.4
229.14389	6.3
229.19469	2.5
239.17915	4.6
243.21069	3.8
247.20514	2.1
255.15750	2.0
257.19064	14.7
259.20572	2.9
261.22180	9.2
269.17453	4.9
275.20078	44.9
277.21643	1.7
293.21210	2.0
309.20697	2.0
317.24530	1.9
331.22742	5.5
333.24249	4.2
335.25812	100.0
349.23715	41.4
349.27209	1.3
355.08734	1.4
367.24692	2.1
489.35672	7.8
505.35291	3.4
513.39276	2.2
515.37561	6.5
529.38763	8.4
535.41534	3.1
569.42108	7.3
575.09570	1.8
591.43292	1.6
609.45160	65.0
627.46429	9.4
825.48541	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	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	1.4
61.02930	3.4
63.53789	0.9
65.03934	4.0
67.05505	79.1
69.03430	6.7
69.07066	25.3
71.04995	4.9
71.08594	1.0
71.09566	1.7
77.03929	1.1
77.76548	0.9
77.80241	0.8
79.05494	55.7
81.03426	8.1
81.07058	76.1
83.04976	7.6
83.08617	11.8
85.02905	4.1
85.06554	4.2
91.04895	1.5
91.05479	42.9
93.07047	60.7
95.04961	6.8
95.08608	51.3
97.02902	4.0
97.06522	8.4
97.10152	4.8
99.04459	1.8
99.08097	2.1
101.03423	1.0
103.05460	1.5
105.04517	1.4
105.07035	34.4
107.04971	3.7
107.08596	38.0
107.58587	0.8
109.06542	5.1
109.10154	24.7
111.08080	5.4
115.05434	1.1
117.07015	16.5
119.08585	23.5
121.06544	2.2
121.10142	26.0
123.08050	2.9
123.11707	6.2
125.09647	1.9
127.03914	3.4
128.06177	1.1
129.05519	1.6
129.06998	5.9
131.08571	23.7
133.06558	1.1
133.10133	19.3
135.08084	2.8
135.11696	15.5
137.09634	2.6
137.13303	1.2
141.06982	1.9
142.07787	1.8
143.08582	4.1
145.05080	1.1
145.06413	1.2
145.10118	16.2
147.08046	1.4
147.11697	12.2
149.09619	6.4
149.13258	11.2
151.11153	1.8
153.09068	1.1
155.08574	1.9
157.10118	5.4
159.11700	12.8
161.09630	1.2
161.13249	4.5
163.11179	4.0
163.14845	1.7
165.12775	1.3
169.10100	1.4
171.11693	4.4
173.04495	2.6
173.11697	1.8
173.13223	9.2
175.11133	1.1
175.14848	2.5
177.12744	3.1
179.14349	1.4
183.11676	2.3
185.13245	4.5
187.11230	1.0
187.14851	2.6
189.11185	2.0
189.12770	1.2
195.13843	2.6
197.13213	2.1
199.14928	1.8
201.16429	1.6
203.14236	1.4
211.14825	1.2
217.15912	1.6
219.17526	2.1
227.12775	2.3
229.14297	7.0
229.19585	1.0
235.16924	1.7
239.17805	2.0
243.21036	3.4
247.20528	1.1
255.15752	4.2
257.19022	7.1
259.20612	3.0
261.22238	11.1
267.15790	1.3
269.17444	14.4
275.20047	18.7
277.21497	1.2
293.21188	3.0
309.20621	6.4
317.24808	2.0
331.22653	2.6
333.24460	2.0
335.25803	100.0
336.26221	1.5
349.23767	17.9
349.27676	1.7
351.25360	1.0
367.24777	2.2
367.30017	0.8
391.15277	0.9
413.21768	1.8
423.32196	0.9
455.96948	0.9
489.35861	7.3
505.34464	1.2
515.37451	10.4
529.38928	46.7
530.39209	1.4
569.42059	15.3
609.45129	25.5
627.46338	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	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.4
65.03931	4.1
67.05507	57.4
69.03441	3.4
69.07075	16.2
71.04999	3.2
71.58015	3.7
78.77445	2.5
79.05489	37.7
81.07058	43.9
83.04985	4.8
83.08623	12.0
85.02881	3.0
91.04908	3.0
91.05483	50.2
93.07050	45.0
95.04950	6.0
95.08610	39.1
97.10143	3.4
105.07036	43.5
107.04988	3.2
107.08601	20.2
109.10164	9.9
115.05430	5.3
117.07025	27.9
118.26607	3.0
119.08581	26.4
121.10154	14.0
123.08101	4.0
123.11691	3.5
125.09662	3.7
128.06242	15.7
129.07034	14.3
130.07776	3.7
131.08574	52.3
133.06499	5.0
133.10124	11.7
135.08023	4.3
135.11690	5.5
141.07019	8.9
143.08563	49.4
145.10130	50.0
147.04446	3.8
147.08047	4.7
147.11670	7.4
149.09705	4.3
149.13342	3.6
149.59076	2.7
155.08607	4.8
157.10121	10.0
159.11722	12.3
161.09662	7.0
161.13243	3.6
167.08556	5.1
169.10103	11.8
171.11700	11.0
173.13249	4.4
175.11183	3.4
181.10103	7.5
183.11606	6.3
185.13249	5.1
187.61049	2.8
195.11710	12.6
213.12695	3.0
227.17978	3.9
237.16307	15.1
255.17480	11.3
261.22104	5.3
273.18518	43.4
329.21136	5.4
335.25806	100.0
347.22119	30.4
406.00171	2.7
429.77203	2.7
531.52722	2.9
607.43555	72.1
608.43292	4.2
625.44745	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	8.8
57.07045	1.5
61.02882	1.1
65.03905	1.9
67.05508	52.6
67.05840	2.2
69.03434	9.1
69.07072	27.3
69.07417	1.0
70.49141	2.3
71.04949	2.0
79.05499	39.4
81.03418	4.3
81.07062	44.1
83.04971	4.0
83.08623	9.1
85.02891	1.7
85.06503	1.8
86.09700	0.9
91.05486	25.5
93.07050	39.5
95.04978	7.7
95.08614	31.6
95.09192	0.6
97.02895	8.2
97.06563	4.0
97.10173	11.2
101.06018	0.8
103.05434	1.1
105.04463	1.0
105.07037	15.3
107.04950	5.4
107.08603	23.2
109.02834	0.8
109.06471	2.9
109.10163	13.3
111.04417	0.9
111.08047	2.6
115.05439	0.8
117.07027	8.2
119.04913	1.4
119.07842	1.0
119.08585	14.2
121.06439	2.8
121.09361	0.7
121.10152	13.3
123.04386	1.1
123.08024	2.6
123.11739	4.0
125.09646	6.2
129.05453	0.9
129.06956	2.9
131.08588	8.4
133.06447	3.0
133.10152	8.8
134.07263	1.3
135.07990	2.8
135.11682	7.6
137.09596	1.8
137.13225	0.9
143.08528	2.7
145.09242	0.6
145.10143	6.8
147.08017	5.1
147.11685	5.4
149.09633	1.6
149.13280	4.2
151.11188	1.7
153.12718	0.8
155.08444	0.8
157.10129	3.5
159.08009	0.9
159.11685	5.8
161.09552	2.3
161.13229	2.8
163.11154	2.3
163.14767	1.2
165.09114	1.5
169.12193	1.1
171.11671	2.1
173.13246	3.1
175.11163	1.4
175.14847	1.1
177.12698	1.9
184.07314	3.2
185.13278	0.9
187.14749	1.5
189.11206	3.6
189.12697	1.0
205.12190	1.8
208.80220	0.6
223.13289	16.9
227.12814	2.3
243.21162	1.4
245.18910	1.3
249.14868	2.7
255.17456	1.3
261.22156	6.8
263.19962	1.0
267.15924	0.7
273.18518	11.1
291.19562	88.1
292.19788	0.8
309.71069	0.8
317.24783	1.9
335.25818	96.7
336.26184	1.7
347.22195	2.0
365.23267	49.5
500.14877	0.7
527.36725	0.9
545.38531	5.1
551.41321	0.8
607.43579	3.0
625.44672	100.0
626.44653	2.6
643.46576	1.1
702.19098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.3
57.07085	2.2
59.86238	1.7
61.02916	2.0
65.03938	6.0
67.05508	89.1
69.03431	4.8
69.07068	22.9
69.22539	1.3
71.04988	6.2
79.05497	52.4
81.03417	5.4
81.07059	91.2
83.04980	30.2
83.08646	8.5
85.02893	2.8
85.06544	7.6
91.05485	61.2
93.07048	70.6
95.04970	11.3
95.08611	49.8
95.09066	0.9
96.69284	1.5
97.02889	1.9
97.06544	8.2
97.10193	3.7
98.20661	2.7
99.04456	2.8
99.08126	1.8
105.04556	1.7
105.07030	46.9
107.04958	5.8
107.08600	50.0
109.06525	7.6
109.10160	67.9
111.04468	1.8
111.08061	3.8
113.06018	2.8
115.05470	2.7
117.07000	15.8
119.08590	22.9
121.06497	8.2
121.10142	24.5
123.08106	3.7
123.11694	10.9
125.09650	3.0
127.07573	1.9
128.06296	2.4
129.07011	5.4
130.07832	1.7
131.08589	21.3
133.06499	3.3
133.10136	64.3
135.08044	6.6
135.11699	13.3
137.12163	1.5
143.08501	2.9
145.10107	15.0
147.08038	4.1
147.11678	6.9
149.09619	6.5
149.13298	5.4
151.07503	2.6
151.11200	29.4
156.13034	1.6
157.10123	3.2
159.08107	2.7
159.11717	8.5
161.09581	7.9
161.13293	5.9
163.11250	2.6
169.10115	2.1
169.12273	3.4
171.11699	3.2
173.13248	3.5
175.11217	2.7
175.14848	2.3
177.12683	1.8
179.10698	1.9
184.07483	1.8
185.13252	1.6
189.12813	2.7
191.14314	2.0
215.12758	4.0
229.46220	2.5
243.21181	2.8
245.19034	5.6
253.14366	84.7
254.60745	1.7
255.17592	2.2
259.20599	3.0
261.22183	11.8
263.20245	2.5
273.18521	19.7
291.19580	25.6
333.24292	3.9
335.25815	100.0
347.22168	8.8
365.23242	43.4
365.26736	1.4
417.29904	3.8
439.31873	2.1
457.32596	2.5
513.35468	5.6
529.35095	3.3
531.36865	34.3
543.40765	2.1
607.43469	10.4
625.44702	74.8
817.99634	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.9
57.07059	2.1
65.03946	3.6
67.05507	95.9
69.03442	7.3
69.06724	2.5
69.07069	29.7
71.04975	5.9
71.08637	1.7
71.40852	2.3
79.05498	68.1
81.03411	10.0
81.07060	99.6
83.04985	40.1
83.08640	14.2
85.02874	3.8
85.06544	7.1
86.09698	3.9
89.28373	1.5
91.04903	2.6
91.05485	73.0
93.07046	75.3
95.04987	14.7
95.08609	61.3
97.02908	2.3
97.06512	7.4
97.10152	6.4
99.04469	1.6
105.04521	1.6
105.07030	53.4
107.04964	10.6
107.08595	49.6
109.06535	9.3
109.10160	52.8
111.04443	1.7
111.08057	5.3
113.05991	1.7
115.05475	2.3
116.06203	1.8
117.07020	17.1
119.04910	2.5
119.07809	2.2
119.08584	27.7
120.50109	1.4
121.06536	8.4
121.10141	24.8
123.08049	10.2
123.11717	11.2
124.99976	1.8
125.09612	3.3
127.07549	2.5
129.07019	8.7
131.08574	25.8
133.06493	8.6
133.10135	57.6
135.08055	13.2
135.11688	14.3
137.09599	5.3
138.45103	1.8
139.11198	1.7
141.06960	2.4
142.07756	2.0
143.08589	7.6
145.06454	2.3
145.10118	15.4
147.08086	8.3
147.11690	11.0
149.09648	9.3
149.13292	8.0
151.11192	24.9
153.12703	1.8
157.10114	5.3
159.08035	3.8
159.11736	10.0
161.09688	8.7
161.13239	7.7
163.07416	1.5
163.11171	4.4
165.12805	2.1
169.10106	2.2
169.12218	3.5
171.11684	6.3
173.09575	1.9
173.13274	6.5
175.11165	6.2
175.14685	2.0
177.09094	2.3
177.12766	2.6
184.07352	11.4
185.13199	3.5
187.14804	2.5
189.12630	2.7
199.14899	2.3
211.14778	2.1
213.16415	1.7
215.12726	3.0
223.13287	4.0
227.12828	1.6
227.17905	4.0
237.16518	1.9
243.21114	2.8
245.18973	6.3
251.12767	3.1
253.14362	62.8
255.17413	4.2
261.22144	12.1
263.20135	4.0
271.15466	2.2
273.18521	39.0
275.20233	1.5
291.19525	46.0
295.01764	1.6
309.20480	4.0
317.24841	3.7
329.20953	1.7
335.25815	90.4
336.26172	3.1
347.22110	15.9
365.23230	58.6
417.30450	2.7
489.36176	1.7
513.35736	5.4
531.37012	13.9
533.39667	2.0
569.38611	1.7
607.43854	9.3
625.44666	100.0
626.44281	4.8
643.45105	3.7
758.47333	1.6
822.53101	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	811.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
61.02926	5.8
66.81857	0.4
67.05510	5.1
69.03413	2.9
69.07063	2.4
69.26173	4.0
69.37189	0.5
71.01369	0.7
71.04983	0.8
73.02911	5.4
79.05499	4.3
81.03429	1.5
81.07058	6.5
85.02908	6.5
91.03963	3.2
91.05497	4.0
93.07043	5.1
95.04994	0.6
95.08614	4.8
97.02905	5.4
99.04451	1.1
101.02392	2.6
105.07050	2.4
107.08614	1.6
109.02915	1.1
109.06520	1.1
109.10201	1.5
117.07034	1.1
119.08574	2.4
121.10160	2.3
127.03925	1.8
131.08594	1.4
133.10191	1.7
135.11739	1.2
147.11725	0.8
161.13414	0.7
168.10724	0.5
179.14334	0.5
185.04201	1.1
192.52281	0.5
203.05383	0.7
219.17473	0.7
243.08466	2.0
275.20154	0.6
315.19296	4.9
335.25812	0.9
519.29279	7.8
533.27191	4.9
811.49628	100.0
812.50342	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	811.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40047	0.5
56.96573	0.6
57.03435	1.7
61.02920	4.9
66.88824	0.7
67.05507	4.7
69.03436	3.8
69.07061	2.8
69.78903	2.4
71.04977	1.5
73.02927	4.1
79.05503	4.8
81.03430	4.8
81.07057	5.2
83.04964	0.8
83.08630	0.8
85.02910	4.2
87.04496	0.7
91.03979	1.9
91.05486	4.2
93.07046	3.9
95.04985	1.6
95.08627	2.4
97.02884	3.5
97.06538	1.4
98.21446	0.6
99.04480	0.6
101.02396	2.3
105.07034	3.6
107.05002	0.8
107.08596	2.9
109.10178	1.6
117.07056	0.9
119.08627	2.1
121.10181	2.4
123.08100	0.8
123.11773	0.7
125.09590	0.8
127.03948	1.6
131.08594	1.5
133.10081	3.2
135.11737	1.2
137.09610	0.8
147.11763	1.8
149.09639	1.4
157.10149	1.4
175.11189	1.0
184.07375	1.3
185.04324	1.1
192.46471	0.6
193.12318	1.6
204.68094	0.5
243.08408	4.7
267.15961	0.9
275.13617	0.6
283.15109	3.5
301.09155	0.8
333.20477	2.1
339.17938	1.4
439.19943	0.7
453.21619	0.8
469.20355	1.2
501.23114	15.1
551.28131	6.5
627.66272	0.6
641.31482	1.4
721.38196	1.7
811.44507	100.0
812.45166	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	815.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	5.4
71.54243	0.4
84.96027	0.4
85.02874	0.3
98.97589	6.6
103.70147	0.2
110.97561	1.1
112.99136	0.3
116.98617	2.1
117.83110	0.2
123.44698	0.2
127.00661	0.4
128.98619	1.1
139.00682	1.6
141.02211	0.3
143.00154	0.5
151.00668	0.7
155.00244	0.2
157.01706	0.9
158.99640	1.3
159.03271	0.3
161.01180	0.5
163.00667	0.3
169.01715	1.5
170.99646	0.7
173.01231	0.3
175.04414	0.6
177.00703	0.6
177.02228	0.6
179.03728	0.3
181.01683	0.5
187.02733	0.3
189.00713	0.4
189.02219	0.6
191.03767	0.6
193.05370	4.2
195.03275	0.8
197.04884	0.4
199.02921	0.4
201.00662	0.6
203.03786	0.7
205.05373	6.8
207.03317	1.6
209.04839	0.7
211.06429	3.5
218.99776	0.5
219.01767	5.3
221.04858	3.3
223.06425	32.9
224.06769	0.4
225.04343	2.6
227.12796	0.3
229.07594	0.3
229.67107	0.2
235.06306	0.3
237.02757	5.2
237.04794	0.4
239.05891	0.8
241.07480	9.0
243.05469	0.4
246.08058	0.8
247.06418	10.4
251.05884	0.6
253.07594	0.4
264.09085	0.3
265.07483	15.6
266.07959	0.4
271.08737	0.4
277.07440	1.5
279.09030	0.5
283.08524	10.9
288.09125	0.5
289.07428	0.7
293.06970	0.6
301.09732	0.3
307.08517	3.8
325.09525	0.6
337.09454	0.3
337.13623	0.2
349.09601	1.1
352.98102	0.2
367.10648	37.6
368.10928	0.7
385.11731	1.0
411.15781	0.3
427.12778	100.0
428.13104	1.9
636.99719	0.2
768.09375	0.2
815.30255	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	813.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
59.52135	0.6
61.02924	5.9
63.97635	0.7
64.06038	0.6
66.56895	0.7
67.05514	6.7
68.42941	0.7
69.03430	4.4
69.07069	1.3
69.31203	3.2
69.31629	2.8
73.02922	4.2
79.05481	4.0
80.15720	0.8
81.03431	1.5
81.07056	5.5
85.02909	6.0
91.03976	3.2
91.05497	2.9
92.15128	0.7
93.07067	5.1
95.08608	4.5
97.02892	5.4
98.21507	1.5
99.04480	0.8
101.02402	2.6
105.07075	2.6
107.08621	2.7
109.10188	1.4
110.79340	0.7
117.07068	0.8
119.08615	1.5
121.10188	2.5
133.10144	1.8
135.11690	1.3
154.06041	0.9
174.57449	0.9
184.07408	2.9
191.28973	0.7
243.08479	2.8
296.12198	0.7
301.09036	1.3
519.29358	7.4
535.28674	4.5
591.31885	1.2
813.51233	100.0
814.51868	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	809.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96584	0.8
57.03445	2.3
59.05020	1.1
59.35034	0.7
61.02929	4.5
67.05512	5.7
69.03439	3.7
69.07069	2.2
71.04984	1.4
71.54384	0.7
71.54823	0.9
73.02934	2.8
79.05495	4.8
81.03418	5.8
81.06673	0.8
81.07065	5.3
83.05012	1.1
83.08626	2.0
85.02915	5.0
87.04514	0.9
91.03973	2.6
91.05487	3.9
93.07063	3.7
95.05022	2.2
95.08633	2.7
97.02909	4.1
97.10155	1.1
99.04450	1.3
101.02399	1.4
105.07035	3.6
107.08619	3.3
109.02874	0.8
109.10153	1.9
111.08118	0.9
119.08612	2.1
121.06501	0.9
121.10187	2.2
123.11713	0.8
125.09699	0.7
127.03933	1.3
129.07069	0.7
131.08582	1.6
133.10138	1.6
137.92773	0.7
139.11264	1.1
145.04903	0.9
145.10210	0.8
147.11726	2.0
149.09700	2.1
157.10184	1.8
175.11288	1.0
193.12366	2.2
203.05296	1.1
211.13409	1.0
223.13394	1.7
243.08368	3.8
247.92357	0.7
269.10675	1.2
283.15344	3.4
291.19858	1.1
331.18857	2.8
339.17886	1.9
351.18384	0.8
422.18954	2.6
471.22812	2.9
501.23074	17.2
501.30334	0.9
549.26788	6.8
683.41766	0.7
809.42957	100.0
810.43378	2.9
810.57849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
58.04209	0.5
59.05004	0.7
61.02925	4.1
65.03956	0.8
67.05510	6.3
69.03435	4.0
69.07083	2.4
70.08012	2.5
71.01357	0.9
71.05007	2.0
73.02915	3.1
74.60878	0.5
79.05493	8.0
81.03429	5.9
81.07058	6.5
83.04999	1.5
83.08651	0.8
84.35114	0.5
85.02905	4.6
87.04487	0.9
91.03976	2.2
91.05492	6.5
91.06026	0.7
93.03659	0.5
93.07047	6.9
95.04952	2.5
95.08612	3.7
96.32616	0.5
97.02895	5.2
97.06560	1.8
97.10210	1.0
99.04494	0.8
101.02407	1.7
105.07030	5.1
106.47672	0.5
107.04984	1.1
107.08594	3.4
109.02850	0.8
109.06537	0.9
109.10194	1.2
111.08095	0.9
115.04008	0.6
117.07066	1.2
117.55745	0.5
119.08597	3.4
121.06593	0.7
121.10155	2.6
127.03928	1.6
129.07042	1.7
131.08594	2.8
133.06537	1.0
133.10144	1.8
135.11746	0.8
143.08627	0.7
145.10217	0.9
147.11667	3.1
149.09657	1.5
155.08556	0.6
157.10172	1.3
160.73201	0.5
161.13406	0.7
166.56842	0.6
171.08174	0.6
171.11752	2.3
175.11246	1.0
184.07385	0.9
185.04327	0.7
189.12819	0.7
193.12328	1.1
207.13884	1.3
225.14799	1.2
227.75783	0.6
238.95976	0.6
243.08395	3.9
267.16064	0.9
275.20309	0.6
281.17603	2.3
283.15097	4.1
333.20416	1.7
339.17935	1.1
346.28864	0.5
356.88367	0.6
389.23206	0.6
413.18271	1.1
439.19937	1.2
453.20947	1.1
469.20581	1.4
487.30490	3.7
501.23105	11.7
551.28259	7.9
567.33191	1.2
595.16461	0.6
631.34497	0.6
641.31604	1.6
721.38043	1.5
811.44531	100.0
812.44910	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	811.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62588	0.6
65.03954	4.6
67.62025	0.7
69.03388	0.7
70.06557	0.8
71.54243	1.1
77.03898	0.6
79.05484	1.4
81.07013	0.9
85.02893	0.9
91.05480	1.6
92.05013	6.0
94.06573	5.9
95.04953	1.0
104.04939	2.1
105.07043	1.1
107.04917	1.2
107.08608	0.7
108.04440	2.2
120.04425	2.0
120.08107	1.3
122.05999	0.8
124.07566	1.9
126.09183	6.0
131.16397	0.6
132.04500	0.8
134.06017	8.7
136.07596	6.5
138.05478	4.7
139.03896	0.9
139.20465	0.7
144.01884	0.7
146.05966	1.8
147.04427	1.5
148.03889	2.7
150.05498	4.8
150.09056	1.1
152.03439	1.7
152.07104	4.8
160.03917	1.1
162.05496	0.7
164.03337	1.0
166.05008	37.3
170.09651	0.8
176.03439	13.5
178.04996	38.5
180.06659	3.5
181.07512	1.0
182.04443	1.9
182.08289	1.1
183.09137	2.3
184.09909	2.8
185.10693	1.7
194.04521	3.5
194.08220	1.0
195.09265	0.8
196.10013	0.7
197.07042	1.6
197.10754	1.6
198.07825	2.7
199.08653	2.9
199.12343	2.5
200.10701	3.0
207.09164	1.8
208.09935	1.3
209.10780	3.3
210.09283	0.7
210.11465	1.8
211.08675	4.9
212.09335	7.4
213.10162	2.2
215.11725	1.1
223.08595	1.1
224.09767	0.8
225.06590	1.0
225.10242	4.8
226.10989	1.3
227.08269	3.7
227.11781	12.9
228.10535	3.5
229.09694	2.8
229.13393	1.7
230.10545	0.9
239.08183	2.4
239.11565	0.7
240.08861	4.2
241.06264	0.7
241.09676	7.2
242.10519	1.8
243.11308	2.3
245.12869	1.6
251.08255	1.4
253.09758	11.7
254.08051	1.9
254.10477	1.2
255.07658	1.6
255.11273	9.2
257.09229	6.8
257.12772	5.2
259.07248	1.2
261.12323	1.8
267.11310	1.1
269.09146	2.4
269.12866	1.3
270.09958	4.8
271.10779	27.4
273.08942	1.5
273.12341	5.1
275.13943	2.1
279.07565	1.6
283.10773	100.0
284.11176	2.0
285.12421	2.3
287.10239	1.3
289.11780	3.5
295.10675	4.1
297.08643	1.2
299.10229	2.2
301.11838	97.6
302.12299	0.9
311.10043	1.2
313.11856	8.2
315.09717	2.9
317.11234	1.2
319.12946	14.1
329.11426	2.3
331.12756	1.1
335.06537	1.9
339.09924	2.0
357.10788	3.3
359.23227	1.1
376.16617	0.8
382.53049	0.8
418.17795	1.4
428.12357	1.2
436.18497	3.6
442.14072	2.6
454.19711	2.4
460.15042	1.5
478.16403	3.8
506.16190	0.8
553.20215	0.9
569.24170	2.8
583.22107	1.6
587.25024	3.9
595.21735	9.5
601.23175	1.4
613.22968	49.7
614.22961	1.5
631.24011	80.3
632.24591	2.1
649.24377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58633	0.8
57.03188	1.2
57.03440	13.1
57.07069	2.7
57.33366	0.7
57.77749	0.7
59.04985	0.9
61.02922	2.2
65.03932	3.2
67.05507	72.8
69.03423	3.6
69.07069	27.5
71.04994	5.1
71.08636	1.5
71.15434	1.8
73.02906	2.0
79.05495	51.4
81.03417	2.4
81.07059	76.6
83.05010	4.4
83.05404	0.9
83.08624	13.6
85.02886	4.5
85.06537	2.4
91.05480	38.4
93.07046	63.8
95.04967	7.1
95.08610	55.8
97.02888	3.0
97.06525	10.4
97.10164	5.0
99.08089	1.4
103.05473	1.3
105.04537	1.5
105.07037	34.6
107.08601	31.8
109.06528	4.0
109.10161	26.5
111.04469	0.8
111.08091	4.0
113.09598	0.9
115.05520	0.9
117.07014	9.9
119.08587	28.5
121.06445	1.0
121.10147	28.4
123.08076	3.6
123.11703	6.3
125.09608	2.8
127.03934	1.0
128.06258	1.3
129.05486	1.5
129.06972	5.4
131.08565	15.8
131.15958	0.9
133.10136	21.9
135.08040	1.5
135.11696	18.0
137.09624	2.5
137.13248	2.0
139.11130	1.4
143.08566	5.2
145.10139	11.9
147.11693	22.0
149.09628	1.7
149.13240	9.4
150.97948	0.8
151.11198	1.5
155.08609	0.9
157.10153	4.4
159.11696	10.5
161.09593	1.5
161.13268	13.1
163.11201	2.3
163.14799	3.7
165.12769	3.3
167.10974	0.8
169.10097	1.1
171.11711	4.5
173.13217	7.1
175.11142	0.9
175.14877	4.0
177.12755	0.8
179.14235	1.1
183.11734	1.0
185.13289	3.4
187.14833	3.1
189.11209	1.3
189.12793	1.9
197.13231	1.0
199.14825	3.3
201.16391	1.4
203.14229	0.9
207.13725	1.1
209.13347	1.0
219.17424	1.0
221.15398	1.2
227.12686	1.1
229.14314	2.0
231.21127	2.7
235.25301	1.0
241.19597	6.9
243.20955	2.0
249.22218	1.2
257.18982	1.5
259.20554	16.8
259.23053	1.3
261.22168	7.5
267.15936	1.4
275.20261	1.0
277.21637	22.6
295.22687	1.4
317.24615	2.1
333.24292	10.7
335.25800	100.0
336.26031	1.7
337.27377	2.4
349.23853	1.1
351.25305	40.1
352.25528	0.8
364.76605	0.9
373.18774	1.6
395.29236	1.0
421.25772	0.9
489.35474	4.0
519.41718	1.0
529.39172	1.8
593.45410	2.4
611.46698	49.4
629.47314	1.9
779.31970	1.0
808.51910	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	806.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	7.0
64.57606	0.9
65.03929	1.5
67.05508	33.6
67.53030	1.1
69.03446	1.0
69.07069	13.3
79.05021	1.1
79.05493	26.6
81.03431	2.6
81.07060	43.9
82.62060	0.9
83.04985	3.5
83.08623	4.7
85.06542	2.6
86.09726	1.1
91.05490	25.8
93.06477	2.0
93.07049	28.3
95.01306	2.0
95.04961	3.1
95.08610	23.8
97.06535	7.3
97.10147	1.3
98.21529	2.0
105.04520	1.8
105.07030	29.7
107.04957	5.1
107.08588	10.8
109.06516	6.0
109.10157	8.4
111.08108	1.4
115.90190	1.0
117.06995	6.2
119.08577	16.0
121.06508	1.3
121.10159	8.5
123.08076	1.5
123.11733	3.5
125.09628	1.6
129.07027	1.6
130.07779	1.1
131.08574	12.6
131.10133	1.0
133.10138	16.7
135.08064	1.8
135.11717	5.2
137.09610	2.1
141.07010	1.4
143.08553	1.9
145.10120	9.1
147.11697	6.3
149.09631	1.7
149.13289	2.6
159.11700	6.1
161.13268	2.3
169.10135	0.9
173.13216	2.1
177.12724	1.2
179.14325	3.3
184.07417	1.6
185.13309	1.0
197.13316	1.0
219.17439	28.0
229.53600	1.1
247.20622	1.4
257.18997	2.3
260.90448	0.9
261.22305	1.1
275.20093	25.4
293.20926	1.4
335.25815	65.0
345.88849	1.1
349.23758	14.0
609.45148	100.0
610.45148	3.1
641.94458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	19.1
57.07072	5.6
61.57714	2.6
65.03934	6.2
67.05505	92.8
69.03419	3.3
69.07069	33.2
71.04995	3.9
77.03971	2.3
79.05493	79.8
81.03378	4.2
81.06589	4.5
81.07059	84.7
83.04957	5.7
83.08638	11.8
83.78897	2.4
85.02885	4.5
91.05482	76.2
93.07043	100.0
95.04954	6.7
95.08609	73.8
97.06514	5.9
97.10191	3.6
98.20737	7.9
103.05451	2.9
105.07034	75.6
107.04926	3.6
107.08598	43.8
109.06504	3.9
109.10162	26.6
113.77846	2.6
117.07018	24.1
119.07806	4.4
119.08587	55.3
121.10150	31.0
123.08084	4.2
123.11681	8.3
128.06219	3.6
129.06995	11.9
131.08569	36.8
133.10130	45.8
135.08061	3.1
135.11684	31.4
143.08545	14.2
145.10132	34.2
147.11694	41.1
149.09621	4.4
149.13257	13.9
155.08624	4.3
157.10159	11.9
159.11693	23.0
161.13258	28.1
163.14778	5.8
169.10182	6.1
171.11676	11.8
173.13252	14.1
175.14836	10.6
177.16577	2.6
183.11583	3.1
185.13287	11.4
187.14824	7.1
197.13110	4.7
199.14859	8.5
211.14804	4.0
213.16411	4.6
231.17590	2.6
231.21031	5.7
241.19585	22.1
243.21156	3.9
257.19000	9.1
259.20560	56.8
261.22165	11.5
315.23257	4.7
317.24640	2.8
331.22903	4.3
333.24207	53.2
335.25803	86.2
337.27432	5.3
385.23364	3.7
519.42206	4.4
551.34290	2.4
583.96478	2.7
593.45508	14.4
611.37762	4.3
611.46747	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	23.0
57.07077	2.3
59.05000	3.1
61.02926	4.0
64.05398	2.0
67.05507	100.0
68.52888	2.2
69.03428	9.0
69.07080	17.1
71.04996	6.7
73.02910	3.5
73.28423	1.9
79.05064	4.3
79.05495	46.0
81.03420	75.4
81.07059	57.9
83.04980	21.8
83.08621	36.6
85.02904	34.0
85.06549	5.4
86.09702	2.8
87.04466	5.1
91.03965	4.1
91.05479	54.7
93.07039	23.3
95.04977	31.6
95.08599	21.1
97.02885	10.4
97.06528	9.8
97.08078	1.9
97.10168	16.8
103.75333	2.4
105.07038	33.7
107.04961	13.4
107.08598	18.0
109.06509	6.1
109.10158	69.0
111.04448	5.8
111.08076	16.1
113.05996	2.8
117.07030	2.6
119.08580	26.8
121.06509	3.1
121.10155	15.1
123.08080	4.5
125.09639	11.2
129.05453	4.7
129.07022	13.6
131.08574	19.3
133.06487	3.8
133.10129	19.2
135.11688	7.2
137.09637	5.3
139.26736	2.4
145.10136	7.8
147.08046	5.0
147.11681	19.2
149.09612	8.0
153.12715	3.2
155.10623	3.6
157.10139	17.4
163.11171	10.0
165.12802	2.8
173.11780	15.2
175.11195	19.2
184.07347	2.7
189.11223	2.4
191.10773	4.4
193.12260	64.8
199.13310	5.6
209.11707	8.7
211.13301	81.4
225.55516	2.3
227.12804	9.5
229.14355	70.6
249.14922	2.8
267.15918	37.2
283.15408	5.6
285.16974	65.4
301.16464	17.9
308.42215	2.3
399.23801	28.8
409.25912	5.9
421.25912	13.8
427.26764	4.0
439.26892	43.3
493.28049	6.5
511.29004	13.7
529.30402	2.6
591.34949	3.0
609.36292	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03201	1.7
57.03444	22.7
57.07057	1.7
59.04992	5.1
61.02919	5.4
65.03934	2.9
67.05507	100.0
69.03423	7.4
69.07069	17.6
69.80190	3.8
69.80599	6.2
71.01357	1.8
71.04996	10.8
73.02896	4.2
79.05502	46.1
81.03423	76.5
81.07059	52.6
81.07533	3.5
83.04990	25.3
83.08621	38.0
85.02908	33.6
85.06542	3.4
87.04466	6.4
91.03940	2.6
91.05486	52.5
93.07043	30.2
95.04977	37.8
95.08608	24.6
97.02906	9.8
97.06525	8.3
97.10164	17.4
99.04440	1.7
99.08096	2.3
103.03960	2.4
103.05460	1.6
105.07034	32.2
107.04951	12.3
107.08588	19.2
109.06519	7.6
109.10160	68.2
111.04459	4.2
111.08094	13.2
113.05985	2.6
115.05469	3.3
117.07091	7.3
119.08591	26.3
121.06487	3.1
121.10137	11.1
123.08059	4.4
123.11739	1.9
123.91215	1.5
125.09641	12.3
128.06192	3.4
129.05492	4.8
129.07025	16.9
131.08575	19.0
133.06480	4.3
133.10123	13.3
135.11691	5.0
137.09676	7.4
142.07816	2.2
143.10670	2.2
145.10146	8.4
147.08023	6.4
147.11682	17.6
149.09601	9.3
153.12672	2.5
155.10713	4.2
157.10150	16.0
163.11192	8.6
165.12773	5.1
170.44218	1.5
173.09579	2.0
173.11765	14.2
175.11186	18.1
191.10649	4.0
193.12259	54.1
199.13264	6.5
209.11710	5.3
211.13300	70.6
217.14433	1.7
227.12787	5.5
229.14378	52.1
232.14220	1.5
267.15924	24.4
281.00867	1.6
283.15414	5.2
285.16962	50.0
301.16464	12.9
335.14911	1.8
344.59042	1.6
399.23776	19.9
409.25711	3.4
421.25916	15.2
439.26926	37.1
459.27283	1.7
475.27109	2.3
493.27957	4.4
511.29227	9.6
562.20587	2.0
591.34790	2.5
609.36304	31.1
610.37061	1.9
662.78174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	23.1
62.24136	2.8
65.03938	5.4
67.05180	6.1
67.05507	77.0
69.03408	4.4
69.07072	14.8
71.55698	4.7
76.02089	3.6
77.35170	2.9
79.05496	50.2
81.03440	4.3
81.07055	58.2
83.04992	6.3
83.08614	11.2
85.06533	9.5
86.09704	3.9
89.06013	4.3
91.05486	39.4
93.07045	52.5
95.04973	54.2
95.08608	37.6
97.06525	7.6
97.10149	3.8
105.07039	30.4
107.04958	12.1
107.08600	31.6
109.06516	57.1
109.10169	15.2
113.06010	31.2
117.07004	16.8
119.08584	21.1
120.82786	3.0
121.06556	5.9
121.10156	14.8
123.08040	6.8
128.06282	3.6
129.07005	8.0
131.08577	19.4
133.10104	12.6
135.08049	40.6
135.11671	7.7
143.08536	5.2
145.10138	11.7
147.08115	5.7
147.11664	9.0
149.09659	7.7
157.10179	6.1
159.11696	8.0
161.09589	8.0
161.13347	3.3
163.11195	5.9
169.10164	3.3
175.11195	3.8
184.07364	12.0
185.13199	3.5
199.14841	3.8
217.15915	11.1
255.17508	3.9
273.18488	33.2
283.02026	4.3
291.19547	100.0
335.25775	88.4
347.22302	11.3
365.23260	16.0
469.35678	4.0
496.43420	3.3
545.38000	4.2
567.40759	3.8
571.72864	3.5
607.43628	15.9
625.44635	75.4
730.45935	3.5
805.54553	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	802.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81103	1.4
56.15939	1.4
57.03450	10.6
57.07079	2.0
61.02922	2.8
65.03917	1.9
67.05504	41.0
69.03427	4.0
69.07075	12.9
70.22508	5.9
71.04987	4.1
79.05495	28.7
81.03423	54.7
81.07060	40.2
83.04979	5.3
83.08620	13.3
85.02894	3.8
91.05477	24.0
93.07049	35.8
95.04980	19.0
95.08603	29.6
97.02911	4.1
97.06526	3.9
97.10184	4.0
105.07030	21.4
107.04958	3.7
107.08595	19.1
108.08147	2.1
109.06515	3.7
109.10178	12.8
111.08069	4.6
117.07017	5.3
119.08603	16.1
121.06474	2.1
121.10135	18.5
123.08049	2.8
123.11720	4.5
125.09670	3.1
129.07007	7.5
131.08568	11.7
133.06384	2.4
133.10159	10.9
135.10834	1.6
135.11697	10.1
137.09595	2.8
145.10121	6.5
147.08066	3.1
147.11713	9.2
149.09633	6.7
149.13252	7.8
157.10117	9.3
159.11667	6.9
161.13278	3.1
163.14801	3.5
171.53185	1.6
173.13292	2.3
174.93663	1.7
175.11166	7.3
187.14905	2.9
189.11293	2.1
193.12254	16.4
227.12814	5.8
235.13174	1.8
243.21104	4.8
249.14789	2.0
253.53796	2.0
261.22174	22.4
267.15930	100.0
301.25287	4.5
317.24756	3.5
335.25815	91.9
390.59750	1.6
421.25851	2.1
435.32590	6.1
453.33591	5.2
471.34750	3.0
509.36554	1.9
515.63037	2.1
527.37323	69.0
545.38361	57.0
546.38165	2.7
569.38098	2.7
590.44788	2.6
752.49060	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	799.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
57.07114	0.4
60.87737	0.4
61.02930	6.3
67.05510	6.1
69.03436	3.7
69.07062	2.0
71.01352	0.6
71.05002	0.5
71.06153	0.5
71.17274	0.4
71.17600	0.6
73.02917	4.6
73.54475	0.4
73.61421	0.4
79.05499	3.2
81.03432	1.6
81.07068	6.3
81.07521	0.6
83.08639	1.1
84.00523	0.4
85.02914	5.9
91.03947	3.5
91.05483	1.9
93.07053	3.3
95.04930	0.5
95.08616	5.1
97.02901	4.9
97.06590	0.6
97.10172	0.6
98.95026	0.4
99.04487	1.2
101.02393	2.8
103.03961	0.4
105.07037	1.0
107.08620	1.8
109.02901	0.9
109.10168	1.3
115.03931	0.7
119.08605	0.9
121.10161	2.3
123.11766	0.8
127.03953	1.4
131.08629	0.5
133.10152	0.9
135.11751	0.8
145.04973	0.5
147.11658	0.6
161.13277	0.5
185.04326	1.2
190.65775	0.4
203.05290	0.5
233.73663	0.4
243.08421	2.1
306.05994	0.4
335.21201	0.4
335.25620	0.7
337.27466	0.5
365.58090	0.4
519.29260	5.9
521.31000	5.5
799.53326	100.0
800.53638	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	801.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	10.2
61.02928	2.3
62.95988	0.6
64.63296	0.6
65.03935	2.4
67.05506	22.1
68.41487	0.7
69.03427	20.4
69.07059	6.1
71.01351	1.0
71.04996	6.9
71.57153	0.8
73.02924	1.2
79.05064	1.6
79.05498	23.1
81.03420	100.0
81.06582	1.5
81.07058	26.0
82.03765	1.0
83.04982	23.3
83.05464	1.6
83.08618	22.4
85.02911	24.6
85.06555	2.2
89.23337	0.7
91.03978	1.1
91.05482	29.3
93.07046	17.5
95.04965	28.0
95.08606	11.3
97.02895	21.6
97.06529	6.6
97.10151	5.8
99.04458	7.8
99.08115	1.4
101.02412	1.6
103.03946	1.7
103.05451	1.0
105.07034	22.4
107.04967	11.5
107.08595	10.9
109.02887	17.6
109.06535	6.1
109.10163	4.9
111.04452	12.3
111.08078	12.1
113.06007	2.3
115.05464	2.3
117.07013	4.1
119.04957	1.2
119.08591	18.8
121.06499	4.8
121.10141	9.0
123.04431	4.0
123.08080	2.6
123.11729	3.2
125.06017	1.0
125.09621	4.0
127.03915	14.2
127.07560	0.8
128.06267	1.7
129.05518	4.3
129.07005	13.7
131.04944	1.5
131.08559	11.1
133.06548	3.5
133.10139	10.9
135.04437	1.1
135.08102	2.4
135.11722	3.3
137.06029	1.0
137.09633	2.6
139.03906	1.3
141.07025	1.5
142.07813	2.5
143.08585	1.9
145.04968	1.7
145.06583	1.5
145.10118	4.1
147.04437	2.1
147.08047	4.7
147.11691	20.6
147.12785	1.3
149.05994	2.1
149.09618	6.7
151.03987	1.0
153.12746	2.2
155.08606	2.5
157.06522	1.0
157.10143	12.2
159.08089	1.9
159.11725	1.0
161.05974	1.1
161.09679	1.2
163.11179	6.0
165.12770	5.4
167.06999	0.9
167.08543	1.1
173.04495	6.3
173.09729	1.5
175.11208	14.4
181.12303	3.3
183.06635	1.1
189.05582	1.1
189.11227	2.0
189.12779	1.7
191.10707	2.5
193.12245	42.6
195.11754	1.0
195.13838	1.1
211.13298	56.7
212.13664	0.9
217.12326	1.0
227.12686	5.3
229.14243	4.8
235.13315	1.1
237.12790	0.8
247.13435	0.9
249.14966	2.6
253.07211	2.1
255.13968	2.1
259.13327	1.4
267.09232	2.2
267.15912	27.6
271.05997	0.8
273.14941	3.1
277.14441	0.8
283.15570	1.6
285.10190	2.5
285.16974	23.8
287.05661	0.9
289.14508	1.1
291.15860	1.3
301.14099	5.6
309.17123	2.2
313.16534	1.2
319.15604	2.5
324.11655	1.6
337.16513	4.6
355.17462	7.1
367.22821	2.1
375.18222	2.8
385.23984	2.6
393.19073	3.5
403.24966	1.2
411.20175	7.3
429.21246	15.8
431.28217	0.9
433.25937	2.0
438.18658	3.7
438.68735	2.8
439.18701	1.0
441.26422	1.2
451.26532	1.1
459.27411	18.3
477.28528	21.8
495.29565	13.7
499.22153	1.8
501.28345	2.1
519.29840	2.7
543.29510	1.4
557.31342	1.3
561.31055	1.4
567.29724	2.2
573.31049	1.6
585.30695	6.1
603.31586	9.1
621.32635	19.3
639.33734	30.8
640.34375	1.3
747.36414	1.3
765.36963	2.3
783.37762	9.4
801.38843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.45
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
61.02928	4.7
65.03934	0.4
67.05510	6.2
69.03429	2.7
69.07075	1.0
71.01361	0.4
71.04971	0.7
73.02916	4.3
79.05493	3.0
81.03413	1.4
81.07059	5.3
83.08652	0.5
85.02908	5.6
86.03845	0.4
87.04484	0.8
91.03957	3.9
91.05487	1.8
93.07058	3.1
95.08615	2.8
96.05065	0.4
97.02897	4.6
97.10211	0.6
99.04471	0.9
101.02380	2.2
101.73369	0.5
103.03965	0.5
105.07024	1.0
107.08594	1.5
109.02872	0.7
109.06539	0.5
109.10166	5.6
115.03980	0.6
117.07006	0.9
119.08613	1.1
121.10139	0.9
127.03935	2.1
131.08646	0.6
135.11736	0.6
135.76146	0.4
164.69124	0.5
173.11752	1.5
173.13237	0.7
184.07373	0.5
185.04247	0.7
195.09990	1.2
229.14253	0.7
230.12958	0.5
243.08426	2.7
249.04068	0.5
326.35422	0.6
335.26031	1.1
413.17813	8.7
413.23080	0.6
459.42438	0.5
519.29395	9.8
653.61029	0.5
679.76917	0.5
691.40277	100.0
692.40411	3.8
749.44482	1.0
777.44055	0.8
795.44519	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	797.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43922	0.2
56.51110	0.2
57.03433	2.6
59.96811	0.2
61.02928	6.7
67.05505	6.8
69.03428	4.2
69.07074	1.4
69.35658	0.2
69.61064	1.5
71.04984	0.8
73.02917	4.8
79.05488	4.5
81.03416	1.9
81.07059	6.4
83.08614	0.7
85.02906	7.4
87.04466	0.5
91.03955	4.4
91.05468	2.1
93.07048	5.0
95.04967	0.5
95.08614	5.0
95.09186	0.5
97.02893	5.6
98.20782	0.6
99.04486	1.0
101.02393	2.6
103.03935	0.6
105.07033	2.3
107.08595	2.9
109.02882	1.0
109.10166	1.8
117.07005	0.7
119.08578	1.2
121.10189	2.4
123.11720	0.6
127.03941	1.7
131.08585	0.9
133.10167	0.5
135.11720	1.0
145.05052	0.3
145.10152	0.6
147.11716	0.6
149.13324	0.5
159.11722	0.4
161.13257	0.4
173.13290	0.4
178.24567	0.4
184.07304	0.4
185.04279	1.1
203.05324	0.7
243.08372	2.5
261.22314	0.5
335.25970	1.0
512.08405	0.3
519.29279	12.1
520.29816	0.4
549.92468	0.3
725.40460	0.3
797.51727	100.0
798.51984	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	795.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
59.63523	0.9
61.02933	5.8
67.05526	4.5
69.03413	2.0
69.07069	2.4
69.23864	5.4
69.24294	3.5
69.34357	0.9
71.01365	1.0
73.02917	3.8
73.13516	0.8
75.37270	1.0
79.05491	3.8
81.03419	3.7
81.07067	4.6
83.05001	1.5
83.08621	1.6
85.02911	6.6
91.03974	3.8
91.05474	2.9
93.07076	2.5
95.04963	1.7
95.08632	3.0
97.02349	1.0
97.02898	5.2
97.06572	1.4
99.04468	1.2
101.02377	2.6
105.07038	2.0
107.08602	2.8
109.02892	1.1
109.10123	1.3
117.06960	1.1
119.08582	1.9
127.03962	2.7
130.18985	1.0
131.08591	1.2
133.10124	1.3
135.11734	1.3
147.11749	1.2
175.11154	1.1
184.94243	1.1
185.04262	3.8
193.12314	1.2
195.73320	0.9
243.08496	4.0
247.22525	1.0
251.12558	2.0
301.08942	10.3
315.10522	2.6
333.20273	1.6
349.16400	2.0
369.15381	1.2
371.16574	1.4
373.11255	4.0
383.16949	1.2
385.18262	6.2
413.17960	2.9
429.17514	1.6
439.19574	1.8
443.19092	3.6
457.20425	1.6
469.20581	11.6
477.25378	1.2
481.20578	4.1
485.19589	1.2
499.21744	2.2
528.22345	2.5
541.22803	5.9
551.28448	2.0
569.26086	1.6
583.30011	1.4
611.30151	1.9
612.30145	1.5
623.30408	1.2
623.77600	1.1
641.31207	2.5
667.32678	4.5
693.38232	1.2
697.31299	1.0
709.33856	18.6
754.05212	1.1
777.40460	3.4
795.41315	100.0
796.41339	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.5
67.05505	1.8
69.03423	1.0
73.02910	0.9
79.05502	1.6
81.07073	1.2
87.04491	1.4
91.03955	0.7
91.05495	1.3
93.07049	1.2
95.08623	1.2
97.02902	1.2
105.07025	0.8
109.10176	1.1
119.08566	0.9
127.03982	1.2
132.00278	0.7
139.47813	0.7
184.07433	2.3
189.25287	0.8
199.48978	0.9
267.09213	1.2
273.08484	0.7
274.71753	0.8
413.17731	1.2
519.29626	1.8
535.25806	0.8
691.40289	20.9
706.60565	0.8
795.42932	100.0
796.43384	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	795.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.7
57.03439	1.6
60.44388	0.5
61.02929	5.1
67.05502	4.0
69.03441	2.7
69.07077	1.7
69.19859	5.6
71.01376	0.6
71.05004	1.5
73.02922	3.4
79.05501	4.6
81.03419	3.0
81.07067	4.9
83.04967	0.5
83.08627	0.8
85.02907	4.5
91.03966	2.5
91.05470	4.1
93.07048	5.2
95.04974	1.5
95.08624	2.1
97.02890	4.0
97.06538	0.8
98.21471	1.2
99.04462	0.7
101.02371	1.3
103.44068	0.5
105.07045	3.8
107.08581	2.9
107.43583	0.7
109.02917	0.7
109.10169	1.3
117.07101	0.8
119.08619	2.4
121.10204	2.1
127.03943	1.3
128.95732	0.5
129.07048	1.2
131.08609	1.6
133.10144	2.8
135.11697	1.1
142.07867	0.5
145.10205	0.6
147.11740	1.8
149.09726	0.9
157.10114	0.9
159.11691	0.8
175.11224	0.6
184.07463	0.7
185.04398	0.5
193.12326	0.8
243.08426	3.6
262.64474	0.5
269.18521	0.5
283.15210	4.5
301.08865	1.0
315.10745	0.7
339.17841	1.0
353.87698	0.6
397.18350	0.7
458.71146	0.7
501.23053	11.6
535.28882	7.5
573.25342	1.1
705.38361	0.7
709.32703	0.7
795.45105	100.0
796.45044	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	794.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	13.8
57.07078	6.5
59.05003	1.2
59.52801	1.3
61.02917	4.2
65.03947	4.1
67.05511	92.7
69.03426	2.1
69.06727	2.5
69.07075	32.4
69.85566	5.7
71.04982	2.9
71.08638	1.8
75.83691	1.2
79.05502	45.6
81.07063	100.0
83.04981	2.8
83.08627	20.1
83.34088	1.4
85.02913	4.7
85.06547	3.2
85.10146	1.6
87.04481	4.3
91.03950	2.5
91.05489	27.4
93.07053	52.7
95.04980	4.3
95.08615	75.0
97.02913	1.6
97.06523	7.3
97.10170	9.8
98.20788	1.4
99.08083	2.8
105.04555	1.3
105.07034	24.2
107.08595	25.7
109.06501	1.7
109.10165	31.7
111.08115	1.8
111.11749	2.1
113.09666	1.3
117.07032	5.3
119.08595	16.7
121.10154	24.7
123.11710	13.3
125.09618	2.2
129.06993	2.0
131.08556	9.2
133.10141	15.4
135.11716	15.5
137.13254	4.2
139.11180	1.5
145.10143	11.2
147.11708	12.1
149.09724	1.2
149.13277	11.5
151.14871	1.7
159.11716	8.5
161.13263	9.5
163.14835	9.9
171.11618	1.5
173.13237	7.5
175.14804	3.3
177.16417	2.0
185.13298	1.8
187.14789	3.1
189.16400	2.1
191.76404	1.3
201.16290	1.4
217.19481	1.3
231.21011	1.4
233.22719	1.5
241.19580	2.4
243.21135	8.1
245.22742	2.5
259.20621	5.9
261.22186	21.5
263.23779	5.8
279.22888	1.3
285.22583	1.5
315.23199	1.4
317.24872	2.5
329.28165	1.5
333.24261	4.5
335.25824	82.6
336.26120	2.0
337.27393	89.3
339.29028	7.4
523.44733	3.1
545.41779	2.2
597.48853	36.3
598.49200	2.0
615.49872	31.5
821.36267	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	1.8
66.04651	0.4
69.03426	5.0
71.54691	0.8
77.03923	0.7
79.05481	1.7
81.03419	1.4
85.02937	0.4
90.08360	0.4
95.04955	3.1
97.02888	1.2
105.03391	100.0
106.03754	0.5
107.04955	17.4
109.02906	0.8
119.08539	0.3
123.04424	1.1
127.03920	5.3
145.04938	1.1
158.46651	0.4
189.05417	1.9
211.13374	0.5
231.06522	1.3
249.07574	1.9
252.57883	0.4
267.08633	28.9
268.08820	0.5
651.09729	0.4
736.44495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
55.05276	1.0
55.05516	13.8
57.03199	0.8
57.03445	10.3
57.07076	2.8
61.02934	3.3
65.03950	3.7
67.05510	62.4
69.03413	1.5
69.07073	15.2
69.18427	1.3
69.18836	4.2
71.04977	1.9
73.02918	1.2
75.98415	0.5
79.05497	38.7
81.07061	60.2
83.04984	1.4
83.08223	0.6
83.08634	7.0
85.02912	3.1
85.06529	1.8
91.03952	0.6
91.05489	22.9
93.07049	45.4
95.04994	3.5
95.08614	44.6
97.02902	1.2
97.06534	2.9
97.10174	4.1
99.08053	1.1
105.04519	1.7
105.07038	16.8
107.08605	25.5
109.06505	1.7
109.10166	21.8
111.08098	1.2
111.11696	0.5
117.07018	6.5
119.08587	16.1
121.10150	21.3
123.08092	0.8
123.11725	7.8
129.06992	2.0
131.08582	10.6
133.10143	11.8
135.08023	0.8
135.10709	0.7
135.11710	13.1
137.09641	1.1
137.13232	2.6
139.11183	0.9
143.08562	1.7
145.10129	8.7
147.11684	9.3
149.09569	0.7
149.13271	8.2
151.11206	0.6
151.14786	0.8
157.10136	1.4
159.11713	8.7
161.13260	7.8
163.11253	0.6
163.14815	4.1
165.12617	0.6
171.11693	1.7
173.13286	6.4
175.14853	3.3
177.16385	2.5
185.13252	2.4
187.14850	2.7
189.16335	1.1
199.14821	1.2
201.16368	1.7
203.17928	0.7
205.15977	0.9
211.14801	1.0
213.16429	0.6
215.17917	1.1
216.91353	0.5
223.16826	0.5
231.21086	1.1
241.19502	3.2
243.21082	5.5
245.22720	0.8
259.20551	6.9
261.22156	17.8
263.23785	2.0
277.21442	0.6
279.23367	0.6
287.23901	0.7
315.23224	1.0
317.24744	3.2
333.24240	5.7
335.25818	100.0
336.26111	2.1
337.27386	8.8
365.27002	0.6
392.31659	0.6
430.98331	0.5
468.91660	0.5
503.42505	0.8
521.43317	1.4
543.40094	0.7
595.47260	15.4
602.16046	0.6
613.48230	13.7
707.56812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.7
55.05513	23.7
57.03432	8.2
58.39537	2.1
59.04995	3.1
61.02904	3.0
64.07697	1.9
64.95751	1.6
65.03916	2.5
67.05509	48.4
69.03423	5.8
69.07067	14.2
71.04991	7.0
71.53663	1.8
72.59734	2.0
79.01213	1.9
79.05073	3.6
79.05501	50.6
81.03419	39.2
81.07062	45.6
83.04974	5.2
83.08620	13.8
85.02909	2.8
85.06571	3.0
86.09700	3.2
90.12438	1.9
91.03957	2.3
91.05486	46.1
91.06027	4.1
93.07050	39.0
95.04974	15.9
95.08615	29.4
97.02876	2.4
97.06541	5.4
97.10186	11.2
98.91071	2.2
99.08118	2.6
103.05477	2.0
103.49051	1.9
105.07039	39.5
107.04977	8.9
107.08592	28.1
109.06527	3.8
109.10140	15.8
111.08052	3.9
117.07027	16.9
119.04927	1.8
119.08587	31.6
121.06505	2.6
121.10140	22.3
123.08059	5.2
123.11687	3.3
125.09627	9.4
127.95465	1.8
129.07016	18.5
131.08582	24.9
133.06517	4.1
133.10130	21.4
135.08075	5.8
135.11719	8.9
141.07034	3.9
142.07736	2.8
143.08549	12.3
145.06342	2.1
145.10133	19.5
147.11700	18.7
149.09630	5.3
149.13290	3.2
151.11124	2.2
155.08588	5.0
156.09326	1.8
157.10143	16.2
159.11719	14.9
161.13277	10.8
163.11192	3.2
165.12823	2.6
167.08580	2.7
169.10112	6.4
171.11739	9.3
173.09573	4.0
173.11864	2.1
173.13264	6.0
175.11185	6.1
175.14871	4.5
181.10135	3.2
183.11697	5.1
184.07349	10.0
185.13275	6.8
187.14850	2.6
189.11302	4.4
193.12268	8.5
195.11719	2.4
197.13187	5.1
199.14880	5.1
201.16400	2.8
209.13341	3.6
217.15855	2.2
227.12830	8.6
229.14326	2.7
241.19542	4.9
259.20544	16.0
267.15869	16.9
269.17377	2.3
283.20538	3.5
291.19449	2.2
299.23782	5.1
333.24240	8.5
343.22104	2.2
415.29788	3.0
421.25928	6.2
433.31137	9.5
451.32153	9.5
469.33035	4.2
507.34772	3.3
517.35217	6.9
525.35718	50.8
543.36835	100.0
544.36945	4.0
557.38623	10.5
575.39716	17.5
737.43549	2.1
744.64050	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	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.2
55.05511	46.8
57.03437	23.0
57.07081	3.9
59.05003	36.8
61.02914	3.7
65.03930	2.7
67.05506	100.0
67.51011	1.6
69.03421	6.7
69.07072	20.0
71.04998	16.0
79.05495	55.7
81.03420	10.7
81.07054	62.7
83.04967	6.4
83.08620	18.6
85.02922	7.7
85.06554	3.1
86.09682	1.7
87.04469	52.1
89.06005	3.1
91.03961	1.9
91.05481	28.5
93.07041	46.3
93.85813	1.7
95.04968	6.6
95.08609	45.9
97.02883	4.0
97.06514	4.6
97.10175	26.3
99.04459	20.6
99.08159	1.6
105.07021	20.3
107.04926	2.1
107.08601	29.0
109.06525	2.2
109.10159	56.6
111.04436	2.2
111.08080	3.2
117.07000	7.5
119.08604	21.2
121.10143	19.9
123.08072	2.9
123.11700	6.9
125.00037	2.2
125.09637	21.1
129.06978	2.4
131.08566	10.6
133.08661	2.5
133.10138	10.6
135.11732	15.0
137.09586	2.2
143.10686	2.8
145.10124	13.5
147.07985	2.5
147.11676	6.3
147.76372	1.7
149.09575	2.0
149.13269	6.9
153.12788	1.9
155.10637	1.8
157.10109	3.5
159.11719	5.7
161.13295	5.9
163.11176	4.3
163.14787	2.7
171.11711	2.3
173.11745	16.0
173.13268	6.8
184.07355	5.0
187.14825	3.0
189.11200	2.0
191.10670	2.2
193.12241	4.7
199.13243	15.7
199.14825	2.6
213.04556	1.6
217.14267	3.9
227.12759	7.0
229.14340	42.3
241.14319	5.7
243.21039	3.8
257.13913	1.9
259.20529	2.8
261.22150	11.8
267.15906	6.5
306.52551	1.8
315.18030	14.0
317.24573	2.9
333.19162	3.0
335.25793	70.8
336.26227	2.3
350.74911	1.6
363.25491	4.8
429.19238	1.8
443.03168	1.8
459.34601	2.6
477.35782	25.5
489.28867	3.2
489.35770	54.7
490.35641	2.1
517.34924	1.8
543.36823	4.4
561.37781	4.3
575.39227	5.0
593.40356	7.7
723.19214	1.7
778.58856	1.8
786.48401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	21.9
55.05264	3.0
55.05513	40.8
57.03190	2.2
57.03443	25.7
57.07072	4.1
59.04990	2.6
61.02927	7.5
64.21918	1.6
65.03933	4.9
67.05508	100.0
69.03437	14.2
69.07072	60.1
69.07459	2.0
69.84312	8.6
70.02671	1.6
71.01347	4.7
71.05002	9.6
73.02911	7.1
74.65121	1.9
79.05495	79.5
81.02930	2.8
81.03420	72.0
81.07060	85.9
82.04209	2.0
83.04985	23.7
83.08624	33.5
85.02908	27.0
85.06557	4.5
91.03947	4.2
91.05482	85.0
93.07049	64.0
95.04974	38.5
95.08612	48.7
95.09225	1.4
97.02910	12.4
97.06534	23.2
97.10183	13.2
98.20820	2.8
99.04463	3.9
99.08112	3.0
103.05473	3.1
105.07038	56.8
107.04960	18.9
107.08601	35.6
109.02879	2.2
109.06532	13.4
109.10155	34.4
111.04453	3.7
111.08100	15.3
113.06033	2.0
113.09632	1.7
114.72247	1.7
115.05463	2.3
116.04700	3.1
116.06248	1.8
117.07021	17.9
119.08591	48.9
121.06508	6.1
121.10159	26.7
123.08056	7.7
123.08860	1.5
123.11709	4.6
124.45710	1.6
125.09632	15.0
127.03911	3.8
128.06184	2.0
129.05516	9.8
129.07018	16.8
131.08574	33.0
133.06514	4.7
133.10139	39.8
133.79289	1.7
135.08075	6.1
135.11705	13.1
137.06001	2.1
137.09619	19.4
141.07010	3.7
142.07805	4.2
143.08533	7.0
145.10118	20.3
147.08064	4.1
147.11700	28.0
149.09619	27.2
149.13232	6.0
151.11188	4.1
153.09157	1.8
155.08562	4.8
155.10654	3.0
157.08737	3.3
157.10124	19.2
157.11359	2.8
159.11670	14.3
161.09576	3.8
161.13290	10.8
162.52892	1.5
163.11206	17.5
165.09084	3.4
165.12752	4.6
169.10097	3.7
171.10208	2.9
171.11700	6.6
173.11736	7.0
173.13271	7.0
175.11174	17.7
175.14754	2.1
177.12767	4.2
179.14302	4.1
181.12102	1.9
183.11699	3.7
184.07332	3.1
185.13289	4.5
187.11095	2.3
189.11226	4.1
193.12242	47.0
199.13338	3.8
200.61972	1.8
201.12845	2.5
205.12129	2.6
205.15796	2.0
209.03429	1.6
209.11684	3.2
211.13284	54.3
211.15240	3.1
223.13191	2.2
227.12762	10.7
229.14265	11.4
229.19405	2.5
239.17981	3.1
247.20667	2.5
253.14421	3.5
255.15733	2.4
257.19049	10.3
259.20599	3.4
267.15936	29.1
269.17398	6.2
273.18466	2.8
275.20108	35.9
283.15436	2.4
285.16992	38.8
291.19559	8.5
293.21161	3.4
299.14877	3.6
301.16519	16.1
333.24158	2.4
344.37881	1.7
347.22134	2.0
349.23764	49.9
349.28140	2.4
365.23264	5.6
366.27768	1.7
381.22580	3.4
421.25745	4.8
423.27332	3.4
439.26920	17.8
444.39474	1.9
446.99292	1.7
455.26956	1.7
461.28949	2.5
463.30453	7.8
477.28879	1.9
495.29327	5.6
541.29700	1.4
541.35248	15.3
557.34564	6.3
559.28583	2.5
559.36407	36.7
575.35858	14.5
577.37463	5.5
593.36517	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.3
55.05512	31.3
57.03187	1.9
57.03438	19.6
57.07060	5.0
59.04718	2.3
59.05004	38.1
60.08150	2.1
61.02920	3.9
62.89506	1.4
65.03931	4.3
65.06883	1.4
67.05508	100.0
69.03425	4.2
69.07065	14.1
69.62173	6.6
71.04981	9.1
71.08636	3.4
73.06566	1.5
73.67604	1.2
79.05495	41.8
81.03403	6.7
81.07059	57.2
82.07375	2.3
83.05003	6.6
83.08619	16.5
85.02901	5.5
85.06529	5.0
86.09701	10.4
87.04470	55.3
89.06003	4.1
91.03976	1.8
91.05483	24.2
93.06487	2.6
93.07047	45.5
95.04951	4.7
95.08605	36.0
96.65436	1.4
97.02906	3.5
97.06509	4.6
97.10164	15.6
98.20791	2.5
99.04463	15.2
105.07040	15.9
107.04993	2.8
107.08585	23.5
108.08934	1.4
109.06523	1.8
109.10162	56.1
109.48062	1.4
111.04456	1.5
111.08086	3.1
117.07000	5.5
119.08587	14.0
121.10151	18.1
123.08121	2.0
123.11698	3.7
124.99982	4.5
125.09667	11.2
126.12109	1.4
127.03933	2.4
129.06949	2.7
131.08563	10.3
133.08586	3.4
133.10112	10.9
135.11693	8.6
137.09636	2.5
143.08603	3.2
145.10103	7.9
147.11723	6.1
149.09618	2.6
149.13229	4.4
155.08461	1.2
155.10643	4.3
159.11705	7.4
161.13240	3.7
161.84541	1.3
163.11162	4.3
171.11699	2.0
173.11732	16.3
173.13300	5.4
177.11227	2.2
181.12260	1.6
184.07343	37.0
185.13257	2.0
185.30559	1.4
187.14673	1.9
189.11105	1.5
191.10498	2.5
193.12184	2.0
199.13281	10.6
209.11700	2.5
217.14365	1.7
227.12814	5.0
229.14343	44.2
241.14401	3.2
243.21062	3.9
257.13678	3.7
259.20529	2.5
261.22116	14.6
267.16031	7.2
275.19879	2.0
283.15417	1.7
289.21616	1.5
315.17947	5.1
317.24594	2.6
327.22885	1.3
335.25806	62.8
336.26074	2.8
363.25314	3.1
459.34918	1.7
477.35910	12.9
489.35757	54.3
517.35181	1.5
543.36389	1.9
561.38043	1.7
575.39209	3.3
610.45062	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
55.05513	12.9
55.90635	0.6
57.03443	6.6
58.34882	0.5
61.02927	1.5
65.03935	1.9
67.05507	20.0
69.03431	24.7
69.07071	5.6
70.78956	0.8
70.79295	1.0
70.95745	0.6
71.01350	2.0
71.04998	7.4
73.02897	1.5
77.03957	0.6
79.05497	21.3
79.05956	1.1
81.03421	100.0
81.07061	23.2
81.07457	0.4
82.03792	0.6
83.01378	0.8
83.04989	16.8
83.08624	14.4
85.02908	16.3
85.06559	1.6
91.05488	28.1
93.03574	0.6
93.07055	14.4
94.94770	0.6
95.01302	0.7
95.04971	20.7
95.05568	1.2
95.08604	7.9
97.02895	26.6
97.06538	5.4
97.10175	4.4
99.04455	8.3
99.08096	1.9
101.02395	1.1
103.03932	0.9
103.05463	1.4
105.03400	1.4
105.04510	1.0
105.07035	20.6
107.04961	8.0
107.08612	8.2
109.02888	19.7
109.06515	3.9
109.10142	3.4
109.53866	0.6
111.04453	11.3
111.08082	8.3
113.06026	1.2
115.05477	1.9
117.06349	0.7
117.07034	4.2
119.04957	1.7
119.08589	15.4
121.06535	3.7
121.10140	7.0
121.10804	0.6
123.04440	3.2
123.08080	2.8
123.11698	3.0
125.02382	1.0
125.05999	0.9
125.09642	2.7
127.03932	15.4
127.07574	0.6
128.06212	1.5
129.04652	0.6
129.05498	3.2
129.07008	10.3
131.04951	2.1
131.08565	9.0
133.06534	3.5
133.10138	8.9
135.04465	0.9
135.08110	2.1
135.11710	2.9
137.05983	1.7
137.09663	1.8
139.03915	1.1
141.07022	1.1
142.07835	1.7
143.05376	0.6
143.08588	1.9
145.05005	1.7
145.06532	2.5
145.10107	3.8
147.04459	1.7
147.08086	3.3
147.11702	16.3
147.12814	1.2
149.05991	1.9
149.09636	4.4
149.13297	0.9
151.03932	0.8
151.11205	1.3
153.09167	1.0
153.12755	2.1
155.08627	1.6
157.06538	1.2
157.10133	10.1
159.08087	1.3
159.11606	0.9
161.05956	1.6
163.11174	4.6
165.05527	0.9
165.12733	4.6
169.04993	0.8
171.08131	1.4
171.11641	1.0
173.04475	10.9
173.05862	1.3
173.09668	2.0
175.11191	10.1
177.12816	0.9
181.10274	0.6
181.12245	3.8
183.11804	1.0
187.11227	0.9
189.05606	1.3
189.11227	2.3
189.12746	1.0
191.10684	4.5
193.12254	29.2
195.13879	0.9
197.05884	0.6
199.11322	1.1
207.11551	0.6
209.11703	0.7
209.13448	0.9
211.13292	46.8
212.13832	0.8
213.12810	1.4
213.14888	0.8
227.12651	5.6
229.14328	3.6
231.13933	0.8
235.13419	2.0
237.12810	1.1
247.13402	1.4
249.14789	3.1
253.07144	3.1
255.13921	1.6
259.13242	0.9
267.09219	2.1
267.15903	15.1
271.08246	1.0
273.14926	3.3
277.14297	1.2
283.15546	2.0
285.10245	2.8
285.17023	11.2
286.10489	0.9
289.14395	0.7
291.15939	1.0
301.14337	5.3
301.17426	0.7
303.16061	0.8
309.17142	1.4
319.15472	2.8
324.11530	1.6
337.16516	4.5
345.16830	0.8
351.18222	1.2
355.17505	8.1
367.22778	0.9
375.18195	3.0
385.23907	1.3
393.19220	5.8
409.18118	0.8
411.20135	9.5
429.21353	5.0
438.18369	2.7
438.68900	1.3
459.27405	6.9
477.28510	6.1
481.20850	0.9
495.29471	5.5
499.22089	1.0
501.28821	0.9
513.93866	0.7
555.24420	1.0
567.29596	1.3
585.30627	3.2
603.31403	5.5
621.32849	12.1
639.33783	5.7
729.34772	1.0
747.35663	2.7
765.37122	4.9
783.38037	24.8
784.38531	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.7
55.05263	2.1
55.05512	27.5
57.03441	9.7
57.07070	1.7
61.02919	4.8
64.10567	1.4
65.03935	4.2
67.05507	57.5
69.03426	4.2
69.07068	16.7
69.30965	10.1
71.04990	3.7
76.54787	1.4
78.93111	1.3
79.05493	46.8
81.03413	3.8
81.07059	59.7
83.04996	6.4
83.08626	12.4
85.02908	6.2
85.06527	2.5
91.03965	2.5
91.05483	57.6
93.07042	48.4
95.04996	6.4
95.08607	43.7
97.02898	4.6
97.06543	5.5
97.10156	6.2
98.21512	2.8
99.08092	1.6
104.39709	1.3
105.04518	2.4
105.07034	43.1
107.04944	3.3
107.08604	22.6
109.06541	8.1
109.10155	17.1
111.08082	3.1
112.93485	1.2
115.05446	6.7
116.06233	3.4
117.07006	32.7
119.06258	1.5
119.08577	25.8
121.06510	3.1
121.10153	16.9
123.08069	4.8
123.11718	4.0
125.09644	1.9
127.03902	1.4
128.06227	16.7
129.07013	18.5
130.07784	8.8
131.08569	54.7
133.06497	5.2
133.10147	16.1
135.08046	4.8
135.11691	8.2
137.09668	2.2
139.11205	1.7
141.06979	10.9
142.07813	4.5
143.08563	61.8
145.06508	2.3
145.10124	55.6
147.08051	8.0
147.11676	8.2
149.09644	3.4
149.13303	4.4
151.07495	1.4
153.07043	1.7
155.08530	7.8
157.10144	15.6
159.08076	4.9
159.11696	17.7
161.09647	9.6
161.13252	3.3
163.11186	4.7
165.07021	1.8
166.07820	1.6
166.36867	1.5
167.08569	4.0
169.10120	11.1
170.10927	1.3
171.08054	1.4
171.11708	14.4
173.09610	5.5
173.13257	5.3
175.11223	5.3
177.12775	3.4
181.10132	9.5
183.11691	7.1
185.09581	2.4
185.13271	5.1
187.11230	1.4
187.14966	1.5
189.12819	2.6
195.11682	14.0
199.11179	2.8
199.14828	2.3
201.12799	1.8
209.13261	1.9
211.14970	1.4
213.12758	1.8
215.12679	1.7
223.98529	1.2
227.18011	6.2
237.16362	15.9
241.14290	2.0
245.19041	3.2
255.17412	17.6
261.22147	5.1
271.16943	1.4
273.18506	55.5
274.18774	1.6
279.91760	1.3
291.19571	3.3
329.21045	6.1
335.25803	100.0
336.26172	1.8
347.22174	31.8
351.99750	1.5
363.75787	1.4
381.97830	1.4
607.43591	48.7
625.44495	8.2
688.32123	1.5
787.49615	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	780.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.05042	0.7
58.06617	0.5
60.08167	6.6
67.05505	1.0
69.07060	0.3
69.41158	0.6
69.41586	1.4
70.06564	0.2
71.07369	3.9
73.74341	0.2
79.05489	0.3
80.94252	0.2
81.07039	1.2
83.08616	0.3
86.09708	34.4
91.05441	0.3
93.07043	0.6
95.08582	0.6
96.75764	0.2
98.98468	3.7
104.10733	1.5
105.06998	0.2
107.08568	0.3
109.10167	0.4
125.00008	23.0
133.10092	0.3
135.11778	0.3
143.01062	0.3
144.41107	0.2
151.07568	0.4
184.07343	100.0
185.07658	0.6
191.30444	0.2
198.04700	0.3
259.48492	0.2
260.08420	0.3
293.02066	0.2
335.25729	0.3
418.41074	0.3
616.08514	0.3
780.55267	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	781.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.0
69.03432	8.7
70.78152	0.6
77.03944	0.7
79.05492	2.4
81.03420	0.5
85.02904	1.0
91.05475	0.5
95.04977	2.2
97.02896	1.5
99.04461	0.8
105.03397	100.0
106.03728	0.8
107.04960	29.8
109.02888	1.0
119.04966	0.9
123.04442	1.0
127.03921	7.0
137.05945	0.2
145.04968	0.9
147.04459	0.6
156.39580	0.2
189.05493	0.8
213.09109	3.3
231.06561	3.5
249.07597	4.0
267.08646	29.3
268.09113	0.4
392.56686	0.2
410.21622	0.2
781.28448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
55.05511	1.2
57.03438	2.0
61.02935	5.1
65.03954	0.6
67.05508	7.0
69.03436	3.7
69.07062	1.1
69.89847	1.6
69.90260	0.8
71.01331	0.5
71.04984	0.7
73.02924	4.3
79.05499	3.0
81.03423	1.9
81.07066	4.5
83.08617	0.7
85.02912	5.3
86.09676	0.5
91.03979	3.1
91.05492	1.7
93.07040	3.3
95.04919	0.5
95.08610	3.0
97.02882	4.6
99.04456	0.8
101.02388	1.9
105.07037	1.0
107.08611	1.6
109.02882	1.0
109.10159	5.0
115.03912	0.7
117.07027	0.6
119.08616	1.0
121.10152	1.6
123.08120	0.6
124.99969	0.4
127.03928	2.2
131.08527	0.5
133.10129	0.9
135.11737	0.8
143.08589	0.4
145.04942	0.5
145.10147	0.5
147.11739	0.6
149.13348	0.5
173.11810	0.9
184.07367	1.5
185.04274	0.8
195.09967	1.3
229.14328	0.6
243.08403	2.2
255.61737	0.5
335.25964	1.7
413.17783	5.6
519.29382	11.0
683.41461	0.5
691.40320	100.0
692.40942	2.8
735.42273	0.8
763.42560	0.7
781.42993	9.7
782.44183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.4
55.05470	1.1
57.03398	1.8
61.02929	5.2
67.05510	7.7
69.03428	3.1
71.01321	0.8
71.04965	0.8
71.57425	0.6
73.02924	3.3
73.75461	0.4
76.71235	0.4
79.05500	2.8
81.03366	1.3
81.07061	4.0
83.08566	0.6
85.02913	6.3
91.03957	4.1
91.05430	1.9
93.07037	2.8
95.08611	2.6
97.02888	4.9
99.04419	0.7
101.02336	1.4
105.07004	1.0
107.08561	1.6
109.02883	0.6
109.10166	5.4
117.92042	0.4
119.08559	1.0
121.10101	1.6
127.03837	1.8
131.08537	1.0
133.10059	0.7
135.11638	1.1
137.09555	0.5
145.10110	0.8
155.10658	0.5
173.11659	1.4
173.13055	0.5
184.07277	0.9
185.04214	0.5
195.09955	1.0
229.14366	0.6
243.08394	1.8
243.24075	0.5
273.25256	0.4
335.25845	0.6
400.00143	0.4
413.17810	5.6
519.29315	8.7
652.64642	0.5
691.40277	100.0
692.40625	3.7
717.41376	0.7
763.42621	0.8
781.42346	16.3
782.42371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05518	1.5
57.03441	1.9
61.02936	3.4
67.05511	3.2
69.03436	2.5
69.07069	1.4
71.01336	0.4
71.04980	0.7
73.02917	3.3
79.05498	3.7
81.03425	4.1
81.07063	3.8
83.04980	1.5
83.08626	1.2
85.02914	5.5
87.04492	0.3
91.03967	2.6
91.05482	3.4
93.07050	3.0
94.73674	0.3
95.04980	1.3
95.08611	1.3
97.02897	3.7
97.06535	0.5
99.04475	0.9
101.02383	1.8
103.03943	0.5
105.07035	2.1
107.04974	0.7
107.08578	1.5
109.02905	0.5
109.06520	0.7
109.10111	0.6
111.08105	0.5
112.37128	0.2
115.03948	0.4
115.05528	0.3
117.07030	0.9
119.08571	2.5
121.10176	0.8
123.42755	0.3
124.22407	0.3
125.09687	0.3
127.03915	1.4
129.05560	0.3
129.07094	0.6
131.08580	1.6
133.10156	1.5
135.11702	0.9
137.09587	0.3
145.10172	0.4
147.11710	1.4
149.09641	0.5
157.10213	0.7
159.11781	0.4
163.11197	0.3
165.12772	0.3
175.11243	0.8
184.07439	0.4
185.04219	0.4
193.12222	1.5
203.05296	0.3
211.13419	0.4
229.03484	0.4
243.08415	2.9
251.12668	1.0
269.12457	0.6
285.17065	0.4
307.15289	1.0
333.20398	1.8
423.03418	0.3
439.19409	0.9
453.21146	1.1
469.20483	12.2
470.20837	0.3
521.38831	0.3
551.28387	4.2
664.29333	0.3
667.33063	0.5
681.34924	1.0
719.15344	0.3
779.41846	100.0
780.41956	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	779.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
55.05516	1.3
56.57399	0.3
57.03434	1.7
61.02926	3.7
65.03963	0.4
67.05511	3.0
69.03428	2.1
69.07072	2.1
69.34175	2.2
70.60043	0.3
71.01344	0.4
71.05019	0.5
73.02921	2.6
79.05494	3.1
81.03418	3.8
81.07064	3.2
83.04992	0.9
83.08640	1.2
85.02911	5.2
86.09765	0.3
91.03964	2.3
91.05489	3.5
93.07048	2.1
95.04981	1.7
95.08613	1.6
97.02905	3.0
97.06544	0.6
97.10189	0.9
98.21547	0.6
99.04459	0.6
101.02435	1.6
105.07039	2.5
107.04971	0.6
107.08608	1.3
109.02870	0.5
109.10159	0.5
112.51565	0.4
117.07065	0.4
119.08581	1.7
121.10177	0.7
127.03946	1.1
129.07071	0.8
131.08560	0.8
133.10164	1.0
135.11708	0.3
145.10124	0.4
147.11673	1.2
149.09648	0.4
157.10156	0.9
175.11214	0.6
184.07385	0.9
185.04291	0.6
193.12288	1.5
203.05270	0.4
211.13432	0.5
243.08473	2.8
251.12613	1.1
268.16995	0.4
278.66702	0.3
307.15143	0.7
333.20276	2.4
411.34390	0.3
439.19501	0.7
453.20840	0.6
462.83313	0.3
469.20468	9.7
541.22473	0.5
551.28137	3.4
618.18372	0.3
667.32587	0.4
779.41809	100.0
780.42114	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	779.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05509	1.0
56.05092	0.2
57.03447	1.9
59.05000	0.4
61.02930	5.1
67.05504	4.4
69.03432	3.2
69.07063	1.2
71.01376	0.4
71.04995	1.0
71.26894	0.5
73.02926	3.6
79.05494	3.1
81.03428	2.8
81.07051	3.6
81.10867	0.2
83.05002	0.6
83.08643	0.7
85.02906	4.9
87.04465	0.5
91.03957	3.5
91.05479	2.4
93.07041	3.6
95.04969	0.9
95.08611	3.1
97.02893	4.0
97.06568	0.4
99.04493	0.8
101.02375	1.9
105.04629	0.4
105.07033	1.8
106.49858	0.2
107.08616	1.6
109.02916	0.7
109.06561	0.3
109.09512	0.2
109.10135	1.2
115.03912	0.3
117.07018	0.3
119.08599	0.9
121.10154	1.6
123.08118	0.3
123.11752	0.3
127.03926	1.4
129.07051	0.5
131.08598	0.8
133.10156	1.0
135.11682	0.6
145.04970	0.4
145.10132	0.6
147.11687	1.2
149.09651	0.9
149.13316	0.4
157.10167	0.5
159.11780	0.3
162.98363	0.2
165.12794	0.3
175.11284	0.4
184.07416	0.4
185.04276	0.7
193.12306	0.6
203.05312	0.4
243.08389	1.9
283.15182	4.5
285.56033	0.3
335.25967	0.8
339.17941	0.6
441.20740	0.4
469.20670	0.3
501.23035	6.2
519.29297	7.8
617.40015	0.3
738.73077	0.3
779.45502	100.0
780.45850	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	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05503	1.6
57.03431	1.9
58.08892	0.4
58.96818	0.5
61.02926	4.8
66.70367	0.4
67.05508	3.9
69.03429	3.5
69.07063	2.3
69.23252	1.1
69.23653	3.7
71.04976	0.6
73.02914	3.2
74.37363	0.4
79.05494	3.7
81.03426	3.6
81.07050	3.3
83.04984	1.3
83.08634	1.6
85.02903	4.8
87.04449	0.4
91.03945	2.2
91.05479	3.3
93.07030	2.3
95.04964	1.4
95.08614	1.6
96.32435	0.5
97.02895	4.6
97.10165	1.4
97.91305	0.5
99.04479	0.6
101.02387	1.7
105.07024	2.9
107.04978	0.7
107.08623	2.0
109.02891	1.0
109.10177	1.4
111.04507	0.6
111.08114	0.8
117.06994	0.8
119.08605	1.9
121.10167	1.3
124.59147	0.4
125.09640	1.7
127.03928	1.9
129.07040	1.0
131.08604	1.0
133.10139	1.7
135.11688	0.6
145.10088	0.5
147.11716	0.9
149.09662	0.8
157.10123	0.6
167.76431	0.4
169.49893	0.4
175.11194	0.8
184.07378	1.1
185.04311	0.7
193.12358	1.4
203.05278	0.6
211.13327	0.9
223.13347	1.2
243.08344	3.4
251.12357	0.6
280.77594	0.4
291.19583	1.9
307.15295	0.4
331.18927	1.3
467.19086	0.8
469.20480	8.4
549.26758	4.7
551.28894	0.7
777.40271	100.0
778.40308	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	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05503	1.6
57.03431	1.9
58.08892	0.4
58.96818	0.5
61.02926	4.8
66.70367	0.4
67.05508	3.9
69.03429	3.5
69.07063	2.3
69.23252	1.1
69.23653	3.7
71.04976	0.6
73.02914	3.2
74.37363	0.4
79.05494	3.7
81.03426	3.6
81.07050	3.3
83.04984	1.3
83.08634	1.6
85.02903	4.8
87.04449	0.4
91.03945	2.2
91.05479	3.3
93.07030	2.3
95.04964	1.4
95.08614	1.6
96.32435	0.5
97.02895	4.6
97.10165	1.4
97.91305	0.5
99.04479	0.6
101.02387	1.7
105.07024	2.9
107.04978	0.7
107.08623	2.0
109.02891	1.0
109.10177	1.4
111.04507	0.6
111.08114	0.8
117.06994	0.8
119.08605	1.9
121.10167	1.3
124.59147	0.4
125.09640	1.7
127.03928	1.9
129.07040	1.0
131.08604	1.0
133.10139	1.7
135.11688	0.6
145.10088	0.5
147.11716	0.9
149.09662	0.8
157.10123	0.6
167.76431	0.4
169.49893	0.4
175.11194	0.8
184.07378	1.1
185.04311	0.7
193.12358	1.4
203.05278	0.6
211.13327	0.9
223.13347	1.2
243.08344	3.4
251.12357	0.6
280.77594	0.4
291.19583	1.9
307.15295	0.4
331.18927	1.3
467.19086	0.8
469.20480	8.4
549.26758	4.7
551.28894	0.7
777.40271	100.0
778.40308	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	777.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05521	0.9
57.03434	2.3
61.02928	3.5
67.05508	3.6
68.14692	0.4
69.03426	2.8
69.07070	1.7
69.78634	2.2
71.04992	0.9
73.02912	3.3
79.05482	2.2
81.03418	4.0
81.07060	3.8
83.04994	1.2
83.08640	1.6
85.02913	6.5
91.03963	2.2
91.05480	4.8
93.07037	2.3
95.04963	2.7
95.08607	1.8
97.02882	4.0
99.04475	1.1
101.02393	1.4
105.07037	3.7
105.38096	0.4
107.04987	0.6
107.08598	1.6
109.02901	0.9
109.06521	0.8
109.10172	0.9
111.08038	0.5
117.07044	0.8
119.08614	1.8
121.10146	0.6
126.19999	0.4
127.03944	1.5
129.07025	0.8
131.08577	1.7
133.10133	2.4
142.07823	0.5
147.11728	1.5
149.09685	0.6
153.24055	0.4
157.10100	0.9
163.11243	0.5
175.11205	1.2
185.04282	0.5
193.12323	1.9
211.13411	0.7
229.19656	0.5
243.08354	2.7
251.12695	0.8
285.10266	0.5
301.09088	0.7
307.15076	0.6
313.18030	0.9
315.10468	0.7
328.55750	0.4
331.18729	2.6
369.87952	0.4
370.97501	0.5
371.16928	0.5
451.19458	0.7
469.20477	10.2
531.25598	1.3
541.22723	1.0
549.26678	1.7
679.32971	1.6
759.39233	6.9
777.40247	100.0
778.40576	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	778.5379
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05500	0.1
56.05037	0.7
57.07067	0.1
58.06622	0.5
59.07395	0.2
59.71280	0.1
60.08163	6.3
67.05497	0.3
70.06577	0.3
71.07375	3.5
71.14870	0.2
77.99502	0.1
79.05489	0.3
79.66331	0.1
81.07046	0.3
86.09707	30.5
87.10046	0.2
91.05476	0.2
92.17789	0.1
93.07037	0.2
95.08604	0.2
98.98466	3.6
104.10747	2.2
105.07040	0.2
107.08616	0.1
111.79850	0.1
116.07092	0.2
116.99526	0.1
119.08616	0.1
125.00008	20.7
143.01064	0.2
146.98161	0.2
166.02602	0.1
174.54088	0.1
184.07343	100.0
185.07607	0.5
229.77950	0.1
230.36841	0.1
299.71121	0.1
341.27496	0.1
344.25507	0.1
500.31641	0.2
518.32001	0.2
526.45941	0.1
549.04041	0.1
575.13751	0.1
589.96985	0.1
595.47168	0.2
719.46674	0.2
778.53833	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	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.1
55.05513	27.0
57.03439	21.5
57.07072	2.4
61.02917	3.4
63.08467	0.9
65.03943	3.2
67.05507	66.0
69.03438	11.3
69.07070	27.1
69.95332	5.0
71.01337	1.3
71.05002	7.4
73.02915	1.1
79.05496	58.6
81.03423	69.3
81.07061	80.5
83.04987	22.3
83.08619	28.0
83.09119	1.3
85.02908	26.8
85.06538	4.3
91.03964	2.0
91.05486	59.7
93.07049	58.0
95.04972	29.8
95.08611	30.9
97.02879	7.7
97.06538	13.5
97.10162	7.9
99.04464	1.9
99.08107	2.9
103.05475	1.5
105.04515	1.8
105.07038	42.3
106.07365	1.6
107.04958	12.2
107.08601	30.2
109.02873	1.9
109.06528	8.4
109.10165	10.9
111.04476	4.5
111.08083	12.9
113.06030	2.6
115.05449	3.2
117.07012	15.6
119.04975	1.5
119.08588	34.8
121.06502	5.0
121.10149	19.5
123.08055	5.0
123.11684	5.3
125.09633	4.4
127.03896	2.2
127.07575	1.3
128.06189	2.0
129.07013	15.8
131.04938	1.3
131.08571	28.5
133.06487	3.6
133.10139	28.0
135.08044	4.0
135.11696	13.5
137.09621	3.6
139.11195	1.3
141.06985	1.5
142.07787	4.0
143.08594	3.2
145.06529	1.9
145.10126	12.2
146.57835	1.0
147.08089	6.1
147.11700	22.8
149.09628	15.9
149.13260	13.6
151.11206	2.7
153.09096	1.2
155.08546	2.4
157.10153	16.0
158.10490	1.1
159.07999	1.0
159.11728	10.5
161.09570	1.4
161.13316	2.7
163.11183	8.7
165.12741	3.9
169.10202	1.5
170.39751	1.0
171.11673	3.1
173.04442	1.9
173.13304	5.0
175.11194	16.8
177.12769	3.0
179.14349	1.6
181.12251	1.6
183.11626	1.2
185.13293	1.2
187.11272	1.4
187.14781	1.4
189.11191	2.2
193.12244	40.3
195.13812	5.0
197.13264	1.3
211.13295	62.6
215.14609	1.1
217.15909	1.2
227.12773	3.9
229.14366	2.1
229.19534	1.2
239.17949	3.0
247.20583	1.7
249.14804	1.4
251.16486	1.0
253.14357	1.3
255.15904	12.4
257.19025	6.4
267.15933	33.7
269.17493	39.7
275.20068	22.3
285.16965	64.6
293.21213	1.7
349.23761	23.9
358.71100	1.0
367.24899	4.5
413.21814	2.4
439.26929	2.3
443.27847	3.8
447.27423	11.0
461.29037	36.0
462.29361	1.8
465.28595	19.4
467.31927	1.1
479.30063	100.0
480.30258	2.7
523.33398	1.3
541.35327	11.9
559.36273	24.6
577.37286	5.9
623.34186	2.9
638.48895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
55.05269	1.5
55.05515	21.3
57.03441	22.8
57.07069	2.3
58.89915	0.9
59.44583	0.9
64.88961	1.0
65.03936	3.6
67.05508	70.8
69.03405	3.0
69.06729	1.4
69.07073	14.2
69.79234	5.8
71.04970	3.0
79.05497	49.3
81.03421	96.6
81.07058	71.8
83.04988	5.7
83.08148	1.5
83.08623	24.1
85.02895	2.9
85.06546	2.0
91.05484	38.8
93.07046	51.3
95.04974	29.3
95.08612	46.8
95.09135	0.8
95.09229	1.2
97.02880	4.3
97.06516	5.3
97.10198	6.5
99.08121	1.1
105.04549	1.5
105.07030	29.2
107.04945	6.2
107.08602	28.3
109.06545	5.5
109.10151	22.6
111.04392	1.1
111.08100	5.8
115.05434	1.8
116.06197	0.9
117.07024	8.9
119.04908	1.2
119.08585	28.4
121.06529	5.2
121.09316	1.7
121.10145	21.8
123.04420	2.2
123.08047	4.4
123.11680	5.9
125.09662	5.8
128.06281	1.1
129.07010	12.8
131.08572	21.9
133.06479	4.0
133.10132	13.8
135.08060	2.5
135.11681	16.2
137.09599	1.9
137.13281	1.6
142.07773	1.8
143.08534	3.1
145.10127	10.3
147.04420	1.8
147.08043	4.4
147.11693	14.7
149.09604	6.8
149.13260	9.1
151.11201	1.6
151.14696	1.0
155.08572	1.5
157.10135	11.5
159.11684	7.6
161.13231	6.4
163.11179	3.2
163.14842	5.2
165.12784	2.0
167.49313	0.9
169.10146	1.6
171.11700	3.0
173.13261	7.4
175.11192	8.6
175.14828	3.6
177.12767	1.6
177.66774	1.1
183.11714	1.7
185.13210	1.9
187.14812	3.8
189.11198	3.7
193.10455	1.1
193.12231	22.5
199.14700	1.7
201.16414	1.8
203.14403	1.1
211.13235	1.6
227.12750	8.3
233.22589	1.0
235.13049	1.4
243.21095	7.1
249.14842	2.8
259.13150	1.2
261.22144	23.3
267.15924	100.0
273.14771	1.4
277.21460	1.1
279.23129	1.9
299.23444	1.3
301.14294	1.8
301.25168	6.4
309.17010	4.1
317.24713	4.4
335.25809	96.7
336.26395	1.1
347.22055	1.4
359.25909	1.1
421.25662	3.5
435.27328	2.0
435.32513	5.2
449.28879	1.2
453.33691	7.9
471.34576	3.9
475.30261	1.3
489.99493	1.0
509.36169	1.3
527.37341	74.7
528.37482	2.6
545.38391	60.3
546.38721	2.0
559.39935	2.3
569.38489	5.7
577.40918	1.3
623.39294	2.0
632.00952	1.0
635.39191	2.8
653.39929	1.2
777.19281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05513	2.4
57.03432	2.1
59.52971	0.4
59.89552	0.3
61.02929	4.5
65.03952	0.5
65.74898	0.4
65.84756	0.4
67.05506	6.7
69.03450	3.7
69.07066	2.3
69.21573	1.6
69.21992	2.4
71.04988	0.9
73.02914	3.0
79.05497	7.2
81.03431	3.4
81.07065	6.6
82.07374	0.4
83.04992	1.5
83.08636	1.1
85.02905	4.6
87.04498	0.7
91.03963	2.4
91.05491	5.8
93.07054	5.7
95.04972	2.4
95.08609	3.5
97.02891	4.1
97.06503	0.6
97.10181	0.8
99.04476	1.1
101.02393	2.0
105.07034	3.6
106.07391	0.3
107.04964	1.1
107.08608	3.4
109.02895	0.8
109.06526	1.0
109.10155	2.0
111.08109	0.6
115.03977	0.4
117.07072	1.3
119.08588	2.9
121.10172	1.4
127.03950	1.4
129.07036	1.5
131.08575	0.9
133.10112	1.9
135.11673	1.1
145.10188	1.5
147.11661	1.9
149.09656	0.6
159.11725	0.6
161.13275	1.1
163.11278	0.8
165.12836	0.4
171.11737	1.4
184.69568	0.4
185.04247	0.7
203.05377	0.7
225.86899	0.4
243.08401	3.6
243.44467	0.5
247.13148	1.1
303.15869	0.7
333.20261	1.9
389.22998	0.4
439.19681	0.7
453.20853	0.7
465.20984	11.5
551.28381	5.1
757.38312	0.4
775.42383	100.0
776.42865	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	773.52
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
55.05510	33.7
57.03427	11.5
57.03699	3.5
57.07083	4.7
61.02922	14.8
65.03933	7.7
66.36156	3.0
67.05178	6.0
67.05509	87.8
69.03424	8.5
69.07067	30.2
69.59936	5.9
69.60352	16.6
71.05004	5.2
73.02915	7.5
79.05077	5.8
79.05502	68.0
81.03410	8.3
81.07060	88.0
83.05004	5.1
83.08610	14.2
85.02903	15.5
85.06567	6.5
86.09714	3.9
91.03945	3.8
91.05482	63.3
93.07044	83.0
95.04976	13.9
95.08607	66.8
97.02885	13.4
97.06550	3.8
97.10173	5.7
98.20839	4.3
105.07030	68.8
107.08602	46.1
109.06525	4.8
109.10150	26.2
109.89223	3.5
111.08067	5.4
115.05446	4.8
117.07034	24.2
119.08575	55.7
121.06509	3.8
121.10146	39.7
123.08080	3.8
123.11724	8.3
128.06168	4.1
129.05461	3.9
129.06985	14.4
131.08575	35.6
133.10124	37.7
135.11688	27.3
141.07021	5.1
143.08557	16.7
145.10129	33.1
147.11685	26.4
149.13260	10.6
155.08510	7.2
157.10138	19.1
159.11694	32.8
161.13234	28.0
162.61295	3.7
163.14867	5.3
169.10130	10.2
171.11676	18.0
173.13293	22.8
175.14873	14.8
177.12891	3.7
183.11685	10.2
184.07338	7.6
185.13298	9.1
187.14758	5.0
189.16374	4.4
197.09691	3.7
197.13351	5.3
199.14841	8.0
209.13303	6.0
213.16545	4.2
231.21259	5.1
240.18787	3.4
241.19568	20.4
249.16556	4.2
257.19019	6.1
259.20566	45.2
261.22192	9.5
263.05295	3.4
264.12726	3.5
267.99133	3.2
301.21448	5.3
313.21545	5.0
331.22864	4.5
333.24268	35.5
335.25784	66.7
367.22577	5.8
404.06161	3.4
501.34879	3.7
534.88873	4.0
591.46252	4.0
593.45245	8.8
609.45905	5.7
611.46753	100.0
612.46588	5.7
701.48340	4.7
737.49371	4.8
773.44470	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.7
55.05512	45.2
57.03440	23.6
57.07068	2.2
61.02916	4.4
65.03934	4.8
67.05506	77.2
69.03434	13.9
69.07069	37.1
69.18991	13.9
71.04987	8.0
73.02921	2.9
74.07639	1.3
77.03912	2.4
79.05496	76.8
81.03422	86.9
81.07059	90.3
83.04984	35.0
83.08144	2.4
83.08621	39.3
85.02908	34.5
85.06532	4.0
87.04446	2.0
91.03934	2.3
91.05484	81.7
91.86057	1.4
93.07046	65.8
95.04973	37.5
95.08607	39.2
97.02897	7.6
97.06541	23.3
97.10167	18.7
98.20789	3.2
99.04430	3.8
99.08096	3.8
100.08492	1.4
103.05465	2.6
105.04527	1.8
105.07034	64.9
107.04961	19.0
107.08593	48.7
109.02882	2.9
109.06525	15.7
109.10171	15.5
111.04462	4.8
111.08089	19.0
113.06020	2.5
113.09646	1.8
115.05464	4.0
117.07030	19.1
119.04945	2.2
119.08585	50.8
121.06474	7.1
121.10143	26.0
123.08076	6.9
123.11716	4.8
125.09625	14.5
125.34393	1.3
127.03913	4.6
128.06248	3.1
129.05495	1.8
129.07002	19.9
130.07799	1.6
131.08572	34.9
133.06503	7.4
133.10133	40.2
135.08041	6.0
135.11693	12.1
137.09627	5.8
141.07033	2.0
142.07776	3.3
143.08595	7.2
145.06439	2.0
145.10127	18.9
147.08026	5.2
147.11696	31.9
147.12805	2.5
149.09624	24.8
149.10744	2.3
149.13266	7.2
151.11211	2.5
153.12761	1.4
155.08513	3.0
157.10121	21.0
159.08014	1.7
159.11699	17.2
161.13254	6.3
163.11191	12.2
165.12785	4.2
169.10184	2.3
171.10278	2.1
171.11656	3.2
173.04459	3.4
173.13245	7.7
175.11197	23.0
177.12758	3.7
179.14348	3.5
183.11682	4.1
185.13263	2.3
187.11182	2.1
187.14761	2.0
189.11200	6.8
193.10428	2.8
193.12239	56.4
195.13794	4.3
211.13295	91.2
219.13797	2.7
227.12782	26.0
229.14386	3.2
229.19366	2.2
239.18091	3.5
247.20544	3.0
249.14857	2.3
255.15820	10.1
257.18976	13.7
267.13013	2.3
267.15900	41.0
269.17465	22.8
275.17627	1.5
275.20068	48.4
285.16980	100.0
286.17542	2.4
293.21204	2.6
309.20480	2.3
313.21750	1.6
331.22678	3.5
349.23740	49.0
351.23514	1.6
367.24768	4.7
413.21741	1.8
421.25949	2.0
437.25308	5.5
439.26855	4.1
443.27954	3.0
447.27423	10.0
449.30664	1.6
455.26288	3.4
461.29028	24.7
463.30475	4.2
465.28479	19.3
467.31381	2.0
479.30038	65.6
501.32010	1.9
519.32990	5.8
521.65356	1.7
541.35297	24.4
559.36279	63.2
560.36639	1.7
577.37280	7.1
599.30634	1.8
623.34113	3.2
705.17932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
55.05515	28.5
57.03436	15.3
57.07072	4.7
61.02937	13.6
67.05507	100.0
69.03413	7.9
69.07066	25.3
70.27819	2.6
71.04972	3.4
73.02911	7.2
77.03886	2.7
79.05497	86.7
81.03399	7.1
81.06593	4.8
81.07062	91.8
83.05004	5.5
83.08620	13.1
85.02901	16.0
85.06532	3.2
91.03946	4.7
91.04910	4.3
91.05482	77.3
93.06482	6.0
93.07050	92.1
95.04963	9.9
95.08610	73.9
95.09169	2.3
97.02879	8.6
97.06516	5.5
97.10197	3.8
99.08073	3.5
105.07033	80.7
107.08601	49.5
109.06509	5.7
109.10161	32.1
111.08089	5.5
115.05476	3.7
117.07014	26.5
119.08588	61.2
121.10143	33.6
122.78986	3.0
123.08060	4.6
123.11679	8.7
128.06194	4.6
129.07001	14.3
131.08585	43.1
133.10133	43.4
135.08022	3.7
135.11716	26.1
137.09601	3.8
141.07040	3.1
143.08551	18.9
145.10110	34.4
147.11676	38.7
149.13365	14.4
155.08545	5.3
157.10130	16.3
159.11691	28.2
161.13266	33.4
163.11244	3.3
163.14828	9.5
169.10126	8.6
171.11688	21.0
173.13240	21.3
175.14896	13.4
177.12762	2.6
183.11687	10.7
185.13243	15.0
187.14824	9.0
197.13145	6.2
199.14822	11.9
201.16325	6.0
209.13182	4.0
211.14810	7.4
213.16414	4.2
215.18002	4.0
225.16533	5.0
241.19556	27.4
243.21150	5.9
255.21397	3.2
257.19077	7.5
259.20566	50.4
261.22156	8.1
315.23203	4.3
319.02209	3.0
333.24261	37.4
335.22061	5.0
335.25830	79.6
337.27701	4.7
338.73187	3.2
364.16891	3.6
403.24423	3.5
519.42145	4.6
593.45361	11.4
611.46747	95.7
612.46423	3.2
635.46716	4.5
701.47510	5.9
719.47552	3.3
737.50549	4.1
755.51080	4.6
773.51227	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	773.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
55.05500	2.1
57.03427	2.0
61.02929	3.7
61.09381	0.6
67.05511	5.7
69.03438	3.2
69.07064	3.1
71.04968	0.9
71.57163	1.0
72.37534	0.6
73.02931	3.8
79.05498	7.0
81.03417	2.1
81.07059	5.2
83.04981	1.7
83.51974	0.6
85.02923	3.8
91.03951	1.9
91.05482	5.9
93.07061	5.6
95.04965	1.4
95.08616	4.0
97.02908	4.8
97.06543	0.7
99.04493	0.8
101.02386	2.1
105.07032	4.0
107.04961	1.6
107.08614	3.1
109.02906	1.1
109.06533	1.7
109.10177	2.2
117.07020	1.2
119.08602	3.2
121.10119	1.5
123.08091	0.9
127.03945	1.5
128.06183	0.8
129.07043	1.2
131.08606	1.4
133.10129	3.1
135.11699	0.7
143.08536	1.0
147.08076	0.8
147.11719	2.0
151.11230	0.9
161.09596	0.8
164.63466	0.8
171.11797	0.9
175.11201	0.9
193.12184	0.8
203.05312	1.0
208.34729	0.7
243.08495	2.4
245.24257	0.6
245.62538	0.7
247.13100	1.3
299.14917	1.6
313.17831	0.9
331.18896	3.0
335.25864	1.8
387.59146	0.7
451.19330	1.3
465.21097	10.4
531.25787	2.5
537.23157	1.6
549.27087	3.2
603.31409	0.9
675.33862	1.3
704.34015	1.0
755.39691	8.4
773.40820	100.0
774.41437	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.6
55.05513	35.3
57.03442	23.0
57.07056	2.6
61.02923	3.7
65.03957	5.0
67.05511	87.3
67.15647	2.0
68.30181	2.5
69.03399	6.8
69.07073	33.8
69.94353	8.3
71.04993	9.3
71.36134	2.6
71.50106	2.7
73.02872	2.6
79.05140	2.1
79.05499	72.2
81.03425	66.9
81.07063	100.0
83.04990	35.6
83.08624	36.0
85.02908	24.4
85.06528	5.3
91.05486	93.6
93.07053	72.7
95.04964	38.5
95.08619	40.2
97.02889	8.7
97.06544	17.3
97.10177	10.3
98.21400	3.1
99.04483	4.0
100.13453	2.7
105.07039	65.4
107.04984	20.7
107.08616	60.1
109.06535	17.0
109.10171	44.8
111.04464	5.2
111.08086	12.0
115.05457	3.3
117.07019	18.3
119.08590	38.5
121.06499	13.4
121.10181	20.7
123.08068	10.6
123.11712	8.6
125.09639	6.6
127.03885	2.3
127.07600	4.4
129.07028	17.6
131.08592	31.7
133.06482	9.0
133.09123	5.0
133.10141	79.7
135.08081	8.9
135.11740	15.2
137.06033	4.2
137.09608	4.5
141.07002	3.4
142.07802	3.6
143.08594	5.7
145.10144	20.3
147.08073	10.9
147.11705	20.4
149.09657	13.7
149.13213	3.9
151.11169	20.8
157.10104	15.2
159.08099	2.6
159.11708	7.1
161.09619	8.4
163.11194	16.2
165.12767	4.9
169.12242	2.9
171.11653	4.6
173.09607	4.3
173.13290	3.8
175.11212	16.2
177.09103	4.2
179.10721	4.0
181.12254	4.1
185.13249	3.0
189.12810	2.9
193.12259	40.4
211.13339	47.6
215.12695	4.0
223.13290	5.1
227.12752	5.5
227.17973	3.6
245.19080	4.2
251.12685	2.8
253.14392	44.1
263.20181	3.5
267.15863	26.8
269.17444	11.7
271.15424	5.1
273.18533	28.2
275.20102	9.8
283.15460	25.0
285.16992	43.9
291.19592	45.4
347.22238	10.5
349.23737	6.7
365.23163	37.4
459.27872	3.1
463.26965	24.6
465.29413	3.7
477.22220	4.3
477.28531	54.8
481.28143	15.5
539.33496	10.7
557.34753	41.9
575.35785	62.2
576.35938	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	773.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05512	2.6
57.03441	1.3
61.02931	3.1
67.05508	6.2
69.03432	2.8
69.07057	2.6
69.89642	1.1
69.90033	1.1
71.04993	0.7
72.22309	0.6
73.02919	3.0
79.05494	4.7
81.03426	2.1
81.07045	4.7
83.04986	1.0
83.08629	0.9
85.02918	3.0
85.06575	0.5
91.03983	1.8
91.05488	4.2
93.07069	4.0
94.46481	0.6
95.04984	1.1
95.08637	1.9
97.02905	3.0
97.06516	0.6
97.10172	0.9
98.09927	0.5
98.21548	0.8
99.04467	0.6
101.02394	1.5
105.04570	0.6
105.07047	2.7
107.04993	1.0
107.08613	2.4
109.02878	0.9
109.06553	0.5
109.10179	1.5
110.22455	0.5
111.08109	0.6
117.07002	1.1
119.08633	2.1
121.10179	1.1
123.08097	0.6
125.09652	0.9
127.03922	1.0
129.06989	0.8
131.08585	1.2
133.10127	1.0
141.05484	0.5
145.10149	1.3
147.08067	0.7
147.11725	1.6
157.10164	0.6
166.06026	0.6
166.07475	0.6
171.11644	0.7
184.07413	1.7
184.87773	0.5
223.13426	1.7
223.31398	0.6
243.08467	3.8
247.13141	1.1
250.64862	0.5
291.19595	1.4
297.22189	0.6
303.15640	0.6
331.18796	1.5
387.21725	0.8
465.20935	8.9
549.26685	6.7
730.99213	0.6
773.40820	100.0
774.41016	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	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69878	0.9
55.01873	6.1
55.05515	26.2
57.03439	12.5
59.04990	1.1
61.02912	2.9
63.26319	0.9
65.03938	1.8
65.62991	0.8
66.83920	0.8
67.05505	37.7
69.03438	11.9
69.03786	1.8
69.07069	28.3
69.74673	1.0
69.75034	1.0
71.05001	5.3
79.05495	36.1
81.03419	42.6
81.07060	35.9
83.01308	1.0
83.04987	12.6
83.08162	1.2
83.08620	19.1
85.02906	17.1
85.06528	2.4
91.05486	37.5
93.06483	2.0
93.07046	31.3
94.04186	1.6
95.04974	19.3
95.08612	17.3
97.02900	12.1
97.06530	6.0
97.10170	15.4
98.06017	1.0
98.21515	2.6
99.04502	1.0
99.08134	1.0
105.04526	1.2
105.07034	25.4
107.04967	12.4
107.08611	15.3
109.06554	6.4
109.10180	8.5
111.04458	2.5
111.08085	7.5
113.06030	1.6
115.05474	2.0
117.07034	8.0
119.04981	1.7
119.08586	23.8
121.06493	4.0
121.10136	10.5
123.08043	5.2
123.11683	1.2
125.09635	9.2
127.03944	1.1
128.06169	1.2
129.07007	9.5
131.08577	15.9
133.06541	5.7
133.10136	13.4
134.07338	1.0
135.08025	3.3
135.11703	4.1
137.09631	2.4
142.07770	2.1
143.08572	3.4
145.10139	7.1
147.08041	9.4
147.11684	12.3
149.09624	6.5
149.13257	3.0
151.07474	1.0
151.11177	1.9
151.55087	1.0
157.10133	11.2
159.11646	1.9
161.09636	3.0
161.13277	1.0
162.10477	1.4
163.11150	6.4
165.09067	2.1
165.12727	3.3
175.11230	12.6
177.12682	1.9
179.10643	1.3
183.11664	1.4
189.11226	5.0
189.24121	1.2
193.12250	26.4
195.13866	1.3
205.12227	1.5
211.11328	2.2
211.13297	44.3
213.99164	1.1
223.13316	14.9
227.12787	9.4
238.19153	1.2
249.14844	3.6
253.14319	1.9
267.15906	26.1
269.17532	2.7
273.18488	13.0
275.20026	2.9
283.15430	8.8
285.16968	44.7
291.19547	100.0
292.19907	2.4
347.22211	3.9
349.23590	3.2
365.23245	47.3
437.25217	2.5
459.27548	1.5
463.27222	1.9
477.04068	1.2
477.28595	6.6
495.29483	2.5
539.33496	2.1
557.34760	38.2
558.35272	1.7
575.35834	69.2
576.36176	2.1
600.61267	1.1
671.90442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.6
55.05514	18.1
57.03445	10.4
57.07074	3.2
61.02925	2.2
65.03959	3.1
67.05508	56.0
69.03427	6.3
69.07069	19.5
71.05000	6.4
71.54284	1.4
71.54668	1.7
79.05495	37.4
81.03423	41.8
81.07057	59.6
83.04988	17.0
83.08621	18.0
85.02909	12.1
85.06554	5.8
91.05482	58.2
93.07043	34.4
95.04975	21.8
95.08617	20.3
97.02896	5.3
97.06548	7.9
97.10180	5.2
99.04442	1.6
99.08096	1.5
103.05476	1.5
105.03425	1.2
105.07033	48.1
107.04955	10.2
107.08601	35.4
109.06508	8.1
109.10160	39.7
111.04447	2.8
111.08100	7.2
113.06043	2.8
115.05460	2.2
117.07020	9.7
119.04879	1.5
119.08582	23.9
121.06504	8.4
121.10149	11.1
123.04451	2.2
123.08085	4.9
123.11694	6.7
125.09636	4.2
127.03972	1.7
127.07538	1.4
128.06248	1.7
129.06998	10.9
131.08577	17.6
133.06482	7.0
133.10133	57.0
135.08040	7.3
135.11711	3.7
137.09615	3.0
139.07553	1.5
142.07813	1.9
143.08585	3.0
143.45358	1.2
145.10139	7.8
147.08070	4.8
147.11710	10.0
149.09589	8.1
151.11194	21.8
157.10155	10.8
159.11697	4.0
161.09648	5.6
161.13284	2.4
163.11224	2.4
165.12801	3.1
169.10161	1.6
169.12260	3.0
171.11699	4.0
173.13182	1.7
175.11215	12.0
177.09094	3.0
177.12830	1.8
181.12198	1.7
182.94786	1.5
189.12747	1.7
191.14139	1.4
193.12262	28.3
193.56282	1.3
199.14815	1.4
211.13290	47.5
211.15297	2.3
215.12730	1.8
223.13307	2.6
227.12875	2.5
227.18021	1.5
245.19038	2.9
251.12752	2.9
253.14357	100.0
254.14452	1.4
255.17560	1.9
263.20242	2.4
267.15918	14.8
273.18500	24.1
275.20139	3.1
285.16965	36.1
287.20068	1.3
291.19550	33.0
309.20407	1.5
347.22131	7.6
365.23248	35.1
445.25711	4.0
463.26895	14.7
477.28186	2.4
481.27979	8.0
525.36121	1.9
539.33582	4.2
543.36591	2.2
557.34711	24.8
561.37018	1.3
575.35809	58.3
576.36255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.5
67.05518	30.1
69.07075	5.2
71.54424	5.5
79.05503	20.6
79.80249	4.0
80.67542	4.2
81.03410	20.4
81.07055	31.5
83.04988	6.5
83.08630	11.9
85.02916	7.1
86.09692	7.1
91.05505	21.4
93.07058	17.1
95.04962	10.3
95.08629	19.1
105.07043	13.7
107.08601	11.2
109.10194	9.2
111.25708	3.9
117.07069	5.2
119.08600	8.4
121.10168	13.7
122.18864	4.3
125.00020	4.4
131.08623	6.0
132.74924	4.0
133.10126	12.5
135.11670	8.7
145.10182	6.3
147.11679	13.2
184.07370	20.8
193.12289	21.8
211.13292	59.5
261.22110	15.0
267.15891	15.1
285.16986	67.0
289.61627	4.7
317.24573	5.1
335.25824	100.0
527.37305	17.3
545.38422	89.9
770.49274	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	771.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85065	0.4
67.05499	0.6
69.03420	1.5
70.03582	0.5
71.23787	0.7
71.24142	0.9
81.07057	1.1
93.07058	0.5
95.04996	0.9
99.65343	0.5
105.03400	11.1
107.04948	0.6
109.02905	0.5
109.06532	2.1
109.10183	1.0
123.11721	1.1
126.98254	1.8
127.00037	4.2
127.03936	1.0
133.10143	0.8
137.06065	0.5
147.04390	1.0
151.11180	1.1
158.44704	0.6
167.03143	0.9
173.07886	0.9
173.09387	19.1
177.05560	0.5
191.10468	0.6
214.12141	0.7
230.99358	8.6
236.23845	0.6
256.19531	0.5
267.08899	1.6
285.10104	1.0
286.00848	0.5
289.06851	6.1
295.09647	1.1
307.06482	0.8
349.07718	0.8
354.77109	0.6
381.09802	100.0
382.10263	1.8
393.06082	0.9
413.12082	26.9
414.12158	0.7
561.16125	2.4
771.28882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05515	9.5
57.03434	4.6
57.07081	1.0
61.02925	14.0
65.03938	1.0
67.05507	19.2
69.03432	7.8
69.07070	8.1
69.17677	5.4
69.18095	1.8
71.04996	1.9
73.02915	8.4
74.43402	0.6
75.35029	0.6
79.05494	13.0
81.03423	4.8
81.07058	19.9
83.04986	2.4
83.08614	5.1
85.02902	12.5
85.06551	0.9
90.95963	0.9
91.03960	6.4
91.05479	12.9
93.07041	13.6
95.04951	2.0
95.08612	16.8
97.02899	9.1
97.06537	2.5
97.10162	1.6
99.04454	1.5
101.02391	2.1
105.07033	12.8
107.04930	1.0
107.08598	10.2
108.90631	0.7
109.02895	1.2
109.06519	0.7
109.10178	7.4
111.08105	1.5
115.05433	1.3
117.06982	6.3
119.08585	10.4
121.06479	0.7
121.10133	6.2
123.08057	0.9
123.11697	1.8
125.09621	1.1
127.03935	1.8
128.06238	2.1
129.07022	7.2
130.07774	0.9
131.08572	10.5
133.06602	0.7
133.10136	8.5
135.11674	4.6
137.09613	0.9
141.06952	3.6
142.07813	2.2
143.08568	8.3
145.04878	1.0
145.10141	11.0
147.11694	5.1
149.13246	1.6
153.07027	1.2
154.21341	0.7
155.08551	7.9
156.09393	1.6
157.10135	9.6
158.10785	0.6
159.11673	7.5
161.13289	2.7
163.14781	1.0
165.07024	1.1
167.08562	3.7
168.09370	1.1
169.10120	10.3
171.11691	7.8
173.13258	5.3
175.14929	2.3
177.16376	0.7
177.32422	0.7
179.08635	1.9
180.09390	0.8
181.10126	5.7
182.10893	0.9
183.11700	11.0
184.12308	1.0
185.13258	6.9
187.14857	2.6
193.10170	2.6
195.11717	6.7
197.13257	9.1
199.14810	4.9
201.16377	0.9
207.11714	2.3
208.12413	0.9
209.09688	0.7
209.13234	5.8
211.14851	4.7
213.16463	2.6
217.19699	0.8
219.11826	0.9
221.13283	2.5
223.14836	4.0
225.16429	2.8
227.18030	2.6
233.13258	0.9
233.18649	0.7
235.14723	1.4
237.16432	2.2
239.18022	1.8
243.85133	0.7
247.14662	1.5
251.17999	1.8
253.19481	2.1
257.18982	1.0
261.16470	0.9
263.18097	1.0
265.19424	0.9
272.11307	0.7
283.20493	0.9
288.34491	0.7
335.25967	1.6
336.26221	1.1
337.25403	1.0
339.26923	1.1
349.25333	1.0
351.26605	1.2
353.24847	1.0
363.27032	0.7
365.28455	1.6
369.27927	0.8
405.31171	0.7
407.29300	0.7
421.31546	0.8
439.32642	0.9
447.32501	1.0
449.33936	0.7
475.34540	0.9
483.35040	0.7
499.39954	1.2
501.35855	1.1
515.37744	0.9
517.40363	5.0
525.35773	1.4
527.37347	0.9
535.41260	3.4
539.37482	1.9
541.38812	1.6
553.17389	0.6
553.39630	0.7
591.44281	6.2
607.43597	2.1
609.45135	100.0
610.45978	4.7
611.47095	0.9
651.45990	0.8
699.46100	0.8
735.47552	1.9
753.49109	2.3
771.50555	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	770.469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.2
55.05275	2.0
55.05517	25.3
57.03444	10.9
57.07048	1.6
58.19239	1.5
61.02921	2.8
65.03950	3.3
67.05511	75.4
69.03443	7.1
69.06728	2.4
69.07073	31.8
71.04994	4.4
72.52466	1.4
73.02927	1.9
73.06525	2.0
77.03942	2.0
79.05501	91.5
80.95483	1.6
81.03432	17.5
81.07063	81.2
83.04984	17.8
83.08633	16.2
85.02904	3.9
85.06533	4.2
86.09724	1.5
91.05487	81.2
91.54277	1.6
93.07053	90.4
95.04982	21.8
95.08614	43.5
97.02925	2.4
97.06532	19.0
97.10180	11.1
98.21587	3.0
99.04430	2.0
103.05484	3.1
105.04523	3.0
105.07041	62.2
107.04973	15.1
107.08599	36.5
109.02916	2.0
109.06514	11.8
109.10173	11.5
110.65150	1.5
111.08086	4.4
113.09683	1.8
117.07039	16.4
119.08594	40.0
121.06501	6.4
121.10165	15.2
123.08096	8.1
123.11703	4.1
125.09624	6.1
127.03933	3.0
128.06200	3.6
129.07025	21.3
131.08574	16.1
133.06438	1.6
133.10138	29.3
135.08090	4.9
135.11699	13.6
137.09631	3.6
139.11261	1.5
143.08571	12.7
145.10130	25.6
147.08064	4.9
147.11705	41.6
149.09631	12.1
149.13237	4.8
151.11240	2.4
155.08556	3.7
157.10165	3.5
159.11679	10.6
161.09627	5.8
161.13268	12.1
163.09935	1.7
163.11188	10.0
163.86143	1.4
164.00500	1.7
169.10135	2.8
171.11710	29.0
173.04457	4.2
173.13254	4.0
177.12801	2.4
179.14322	4.3
183.11676	2.1
185.13257	1.4
187.11105	1.8
189.11281	3.2
189.12787	8.7
195.13914	2.2
207.13829	27.1
227.12790	16.3
229.19644	2.5
236.17628	1.6
239.17955	1.9
247.20566	2.1
253.14374	4.2
255.15955	5.3
257.19031	13.1
269.17508	11.6
275.20093	35.3
279.15778	2.0
281.17505	77.8
283.15363	3.8
293.21222	2.1
331.22760	3.7
349.23767	23.9
367.24817	2.9
377.23325	3.2
416.52542	1.6
435.27420	3.4
451.26718	4.2
461.29068	24.8
475.30627	100.0
476.30948	2.5
479.26334	2.9
515.33490	6.3
537.35675	5.1
546.77509	1.7
555.36914	61.5
556.37006	2.5
573.38147	8.1
619.34253	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	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
55.05518	12.7
57.03448	6.3
57.07072	1.2
61.02941	1.1
65.03929	3.6
65.99500	1.1
67.05508	47.9
69.03420	3.1
69.07076	15.5
69.40177	5.9
69.40585	2.0
71.04990	2.9
73.06529	1.1
75.86835	1.0
77.13491	1.3
79.05500	51.5
81.03429	8.0
81.07063	51.9
83.04996	8.5
83.08626	7.1
85.02876	1.7
85.06534	2.3
91.02879	1.0
91.05489	40.8
93.07049	52.5
95.04980	13.0
95.08611	25.5
97.02881	2.3
97.06544	10.8
97.10158	3.7
97.74653	1.1
98.21523	2.3
99.08132	1.3
103.05513	1.8
105.07034	31.7
107.04992	6.5
107.08606	21.4
109.06532	5.2
109.10163	8.1
111.08085	2.0
113.09654	1.3
115.05423	1.4
117.07019	11.0
119.08593	20.7
121.06490	4.4
121.10151	6.9
123.08083	5.7
123.11740	1.6
125.09664	2.1
127.07583	1.3
128.06172	2.5
129.07019	9.1
131.08575	8.5
133.06494	2.0
133.10141	16.7
135.08044	3.0
135.11694	6.7
137.09665	2.1
143.08624	5.1
145.10127	11.6
147.08055	2.2
147.11700	21.7
149.09615	4.8
149.13275	5.9
151.11201	1.8
157.10088	2.0
159.11697	6.0
161.09654	2.6
161.13255	5.8
163.11159	4.4
171.11691	12.6
173.04457	1.2
173.13280	2.4
177.12685	1.6
189.12775	5.3
195.13779	2.6
207.13823	16.3
227.12724	1.5
229.19638	1.2
253.14339	3.9
255.15956	3.9
257.19012	4.0
269.17465	15.6
275.20041	12.6
281.17477	41.4
320.69421	1.1
331.22552	1.5
349.23712	10.6
367.24713	2.8
435.27487	2.5
457.29242	1.7
461.29022	21.3
475.30557	100.0
476.30817	2.1
537.35852	2.0
540.92163	1.2
555.36914	21.6
573.36829	4.8
619.35156	2.9
636.41821	1.3
702.40759	1.5
718.61255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.1
69.03433	0.3
69.86825	0.6
85.02921	0.6
97.02886	0.2
98.97604	0.2
101.91460	0.1
105.07044	0.3
124.06670	0.1
125.10938	0.1
133.06482	0.4
161.06030	0.4
185.02608	0.2
185.04230	2.9
193.08592	0.2
217.04768	0.6
219.01825	0.1
232.07080	10.5
233.07867	4.5
237.03053	0.2
242.28476	0.1
334.09875	0.1
364.11328	1.5
365.12119	0.3
395.13156	100.0
396.13589	1.9
396.18323	0.2
550.18854	0.1
584.89038	0.2
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
55.01865	4.2
55.05513	15.6
57.03439	3.3
65.03953	2.1
67.05177	2.2
67.05512	29.4
69.03442	6.0
69.07078	15.5
71.04989	1.7
71.07643	1.1
71.57117	1.5
79.05502	39.7
81.03421	5.4
81.07063	24.7
82.57108	1.1
83.04990	6.6
83.08620	6.1
85.06543	1.9
91.05484	27.1
93.07053	31.0
95.04988	11.2
95.08612	13.9
97.02895	6.3
97.06518	3.3
97.10163	8.4
105.04510	1.4
105.07045	20.3
107.04970	5.8
107.08604	13.0
109.06506	2.4
109.10151	4.0
117.07039	8.1
119.08583	13.7
121.06486	2.6
121.10143	3.7
123.08069	4.3
125.09644	5.8
129.06984	9.6
131.08586	7.4
133.06439	1.7
133.10141	6.2
135.11723	1.8
137.09598	1.8
143.08591	5.4
145.06506	1.2
145.10115	6.6
147.08040	3.9
147.11674	13.7
157.10136	1.8
159.11710	2.2
161.09619	3.8
161.13268	4.1
163.11151	1.4
165.09175	1.1
169.10182	1.1
171.11703	10.6
175.11208	1.9
185.13235	1.1
189.11246	1.9
189.12784	4.0
202.01706	1.4
205.12292	1.6
207.13820	9.5
223.13309	9.9
224.90425	1.5
225.14656	1.1
227.12738	3.9
247.39394	1.2
249.14815	2.8
255.17363	1.3
273.18567	9.4
281.17499	40.2
282.18137	1.2
291.19568	58.1
292.20001	1.8
307.68469	1.2
347.22144	1.7
365.23282	24.0
451.26984	1.9
473.28818	3.4
553.35034	2.9
571.36316	100.0
572.36414	3.4
637.02374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.9
55.13723	1.6
57.03426	3.0
66.05804	1.4
67.05499	13.5
69.07062	5.6
71.04990	1.8
79.05494	11.7
81.07066	19.4
83.08617	4.1
91.05469	6.6
93.07047	17.3
95.04946	2.5
95.08607	18.3
97.06499	2.7
105.07009	5.2
107.04924	1.6
107.08604	10.7
109.10121	4.4
117.07026	2.3
118.96971	1.6
119.08579	2.5
120.88229	1.5
121.06467	2.0
121.10124	9.9
125.06032	1.7
131.08585	3.8
133.10133	4.0
135.11696	19.7
135.19766	1.4
145.10133	9.5
163.11182	26.2
173.13246	1.9
181.12227	3.5
184.07346	1.7
227.12772	45.1
243.20917	1.6
261.22208	7.5
276.82513	1.5
283.15405	65.1
317.25027	2.4
335.25790	100.0
336.25998	2.9
404.89542	1.7
454.06058	1.9
543.36816	81.3
544.37158	3.6
561.37372	1.7
579.05695	2.2
593.05933	1.7
768.48615	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	763.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
54.66542	0.3
55.01871	0.5
55.05505	1.3
57.03438	2.3
57.07080	0.4
61.02924	5.1
67.05505	6.2
69.03430	4.2
69.07058	1.4
70.98304	0.4
70.98623	0.5
71.01347	0.5
71.04992	3.8
73.02917	4.5
79.05499	3.8
81.03412	1.9
81.07056	7.8
82.07406	0.4
83.04956	0.3
83.08630	0.9
85.02434	0.3
85.02909	6.5
85.06545	0.5
87.04490	0.4
91.03961	3.9
91.05481	3.5
93.07043	4.3
95.04974	0.3
95.08610	3.4
97.02895	5.8
97.06535	0.5
97.10182	0.3
99.04479	1.3
101.02380	2.0
103.03941	0.4
105.07034	2.3
107.08602	2.2
109.02896	0.8
109.06532	0.4
109.10139	1.5
111.08112	0.5
111.52457	0.3
115.03987	0.7
117.07006	0.5
119.08599	0.9
121.10155	1.4
123.11708	1.5
127.03931	2.3
131.08595	1.1
133.10155	2.5
135.11720	1.2
145.04979	0.4
145.10207	0.4
147.11694	0.3
149.13298	1.3
151.11217	1.0
159.11763	0.7
162.20285	0.3
173.13342	0.4
178.60477	0.3
183.13887	0.5
185.04250	0.8
187.13339	0.5
195.13947	0.4
203.05270	0.7
243.08394	2.9
243.15964	0.3
250.92267	0.3
257.17578	1.0
261.22150	0.4
267.15692	2.0
335.25894	0.8
441.20654	0.3
453.21051	0.5
485.23611	7.7
519.29309	6.3
604.64740	0.3
763.46008	100.0
764.46265	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	765.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05511	1.0
55.59901	0.3
57.03434	1.5
61.02930	5.6
62.58440	0.4
67.05508	4.4
69.03428	3.0
69.07070	1.5
69.23912	1.2
69.24317	2.3
71.01368	0.4
71.05002	0.9
73.02929	4.1
79.05494	3.6
81.03423	2.7
81.07062	4.9
83.04993	0.9
83.08613	0.8
86.09701	0.6
87.04462	0.5
91.03959	3.8
91.05476	2.8
93.07041	4.3
95.04982	0.7
95.08608	3.6
97.02891	5.6
97.03460	0.6
97.06532	0.5
99.04482	1.4
101.02391	2.1
103.03959	0.6
105.07047	1.5
107.08663	1.7
109.02904	1.1
109.10189	1.4
111.74701	0.4
115.04000	0.4
119.08583	1.4
121.10143	3.3
123.11758	0.6
125.00098	0.4
125.09651	0.4
127.03908	1.8
129.05424	0.3
131.08609	1.2
133.10136	0.7
135.11699	0.5
138.71124	0.4
139.11232	0.6
139.60072	0.4
145.10156	0.7
147.11705	1.3
149.09596	0.8
149.13286	0.8
157.10179	0.5
184.07324	2.0
185.04269	1.2
193.12253	0.6
203.05286	0.4
243.08423	2.7
251.12570	0.5
269.13614	2.5
335.25879	0.9
358.24454	0.4
371.16580	0.4
402.82950	0.4
425.17920	0.4
425.69720	0.4
434.40817	0.4
443.18945	3.6
469.20621	1.5
475.40646	0.4
487.21536	3.3
491.27701	0.4
519.29303	9.4
591.31671	0.8
721.41016	1.4
747.42950	1.7
765.43927	100.0
766.44232	4.6
775.45850	0.4
786.14551	0.4
791.33984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
57.03436	0.7
60.08157	0.6
61.02916	1.1
67.05499	2.4
67.21542	0.6
69.03426	0.8
69.07053	0.6
69.32421	5.0
73.02899	0.8
79.05500	1.7
81.03409	1.3
81.07055	2.0
85.02908	1.3
86.09712	3.4
87.10069	0.6
91.03973	1.2
91.05489	1.1
93.07047	2.0
95.04974	0.6
95.08601	1.3
97.02903	0.8
101.02397	0.8
107.08580	1.3
109.10204	1.1
119.08598	0.7
121.10178	0.5
125.00010	2.1
125.35773	0.5
131.39784	0.5
135.11717	0.6
184.07362	8.8
185.07721	0.9
195.93604	0.6
267.09076	1.3
285.10062	0.9
338.27762	0.7
467.19135	0.7
485.18369	1.1
510.83987	0.6
519.29364	1.6
530.39594	0.8
713.45819	1.2
745.41040	1.7
763.40527	100.0
764.40894	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	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05501	1.2
56.66233	0.3
57.03434	1.4
57.21326	0.3
61.02927	4.5
65.03954	0.3
67.05508	3.2
69.03434	2.9
69.07065	1.2
69.29695	0.7
69.30106	2.1
71.01368	0.4
71.04993	0.3
73.02915	3.2
74.88800	0.3
79.05494	3.7
81.03416	2.8
81.07062	3.6
83.04986	0.6
83.08627	1.0
85.02910	4.7
86.09687	0.5
87.04494	0.6
91.03952	2.9
91.05482	3.2
93.07045	4.2
95.04982	1.0
95.08614	2.2
97.02901	3.7
97.06506	0.5
97.10194	0.6
99.04484	0.9
101.02399	1.6
105.07024	2.5
107.08598	2.3
109.02906	0.7
109.06552	0.4
109.10207	0.5
111.08119	0.4
115.03947	0.4
117.07008	0.7
119.08578	2.4
121.10146	1.7
123.04433	0.3
124.20443	0.3
127.03944	0.8
129.05507	0.4
129.07039	0.8
131.08598	1.0
133.10123	1.9
135.11722	1.2
138.33952	0.3
143.08533	0.5
145.10193	0.9
147.11682	2.0
149.13292	0.4
157.10158	0.7
159.11635	0.6
171.11723	0.5
173.13367	0.4
175.11214	0.5
184.07339	0.6
185.04297	0.9
185.13283	0.4
193.12325	0.9
194.66060	0.3
201.03822	0.5
202.63599	0.3
215.27481	0.3
241.06975	0.4
241.19543	0.4
243.08455	2.8
251.12686	1.5
259.20657	0.7
291.15686	0.4
296.44141	0.3
301.08929	1.0
307.15393	0.4
315.10526	0.4
327.10745	0.4
334.54984	0.3
335.24753	0.4
371.17004	0.6
465.21124	0.6
469.20477	5.8
535.28839	7.8
541.22632	1.6
555.24011	0.5
569.25555	0.4
670.45544	0.3
763.42377	100.0
764.42731	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	762.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07758	0.8
55.01871	1.0
61.02922	1.5
69.03419	2.4
70.55333	1.8
71.04999	1.1
73.02917	0.9
79.05495	2.9
81.03434	1.1
85.02898	11.3
85.24084	0.9
88.86391	0.8
91.05479	4.0
95.04952	1.2
97.02882	2.6
103.05447	2.7
105.07033	35.7
107.04946	1.9
109.06507	0.9
115.05481	8.3
118.04166	2.9
119.04938	5.3
121.06514	1.2
127.03911	3.0
131.04887	1.0
133.06491	39.6
140.02190	0.9
143.06017	3.6
145.04950	2.4
147.04434	1.8
149.05968	2.8
151.07520	1.9
151.11322	0.8
161.05983	86.2
162.06395	1.6
167.07056	1.2
168.07845	1.3
168.54247	0.9
179.07056	1.7
180.08690	5.7
181.08617	0.9
185.65633	0.8
193.08604	100.0
194.08974	1.2
196.07341	1.6
211.09669	15.5
225.72571	1.1
237.02795	0.9
256.70563	0.9
300.76620	0.9
343.42975	1.0
389.17761	1.4
409.15845	1.5
622.41235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
57.03461	0.4
59.22938	0.4
61.02922	1.7
63.42769	0.4
67.05507	2.1
69.03426	0.9
69.07082	0.7
69.29901	3.3
73.02932	1.1
79.05501	0.9
81.03432	0.9
81.07065	1.7
83.08641	0.4
85.02913	1.6
86.09718	2.9
91.03947	0.6
91.05496	1.3
93.07060	1.3
95.05000	0.6
95.08626	1.8
97.02921	1.7
101.02386	0.7
105.07074	0.6
107.08594	0.5
109.10155	0.8
119.08576	0.7
121.10158	0.9
125.00018	1.8
127.04005	0.5
145.10088	0.5
163.11215	0.4
184.07347	6.6
185.07759	1.0
229.46901	0.5
230.46983	0.5
267.09042	1.0
278.63519	0.5
285.10211	0.8
289.75656	0.4
467.19046	0.8
485.18271	0.6
519.29407	1.7
535.26782	0.9
548.39551	0.5
645.75726	0.5
745.41754	1.5
763.40631	100.0
764.41040	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95258	0.6
55.05502	1.1
67.05498	1.2
69.07072	1.0
71.01356	0.5
76.94009	0.7
79.05496	1.4
81.03388	0.8
81.07054	2.3
85.46249	0.5
91.05485	1.2
93.07034	1.9
95.08597	0.9
105.07026	0.9
107.08590	0.5
109.10194	1.0
119.08624	0.6
121.10180	0.9
139.95280	0.6
146.06039	0.6
175.31740	0.5
184.07368	1.1
335.25970	0.7
393.57794	0.6
515.66669	0.6
535.26630	0.7
546.38666	1.1
565.49426	0.6
761.38739	100.0
762.39209	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	761.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	0.4
55.05504	0.9
57.03441	1.7
58.11539	0.3
59.05003	1.7
61.02927	3.9
67.05513	2.3
69.03433	2.6
69.07063	1.1
70.81741	0.9
71.04989	1.9
72.54268	0.3
73.02921	2.4
79.05492	3.5
79.28432	0.2
81.03421	5.2
81.07065	2.9
83.04987	0.9
83.08614	0.8
85.02911	3.8
85.06538	0.6
87.04469	0.9
90.60381	0.3
90.70226	0.3
91.03970	2.3
91.05484	3.9
92.60703	0.3
93.07056	2.6
95.04961	2.0
95.08628	1.4
97.02898	3.4
97.06535	1.1
99.04475	0.6
101.02411	1.6
103.03939	0.5
105.07029	2.8
107.04966	1.0
107.08598	1.9
109.02885	0.8
109.06540	0.5
109.67059	0.3
111.04457	0.3
111.08083	0.9
115.03987	0.3
119.08614	1.9
119.16421	0.3
121.06544	0.3
121.10151	2.5
123.04378	0.3
123.08094	0.5
127.03934	1.1
129.07025	1.3
131.08580	2.0
133.06580	0.4
133.10136	2.0
137.05986	1.0
147.11670	2.0
149.09624	2.7
151.03960	0.4
151.11215	0.4
157.10202	1.3
165.12827	0.4
167.06999	0.3
175.11229	1.6
181.05061	0.4
191.07024	0.3
193.12248	3.0
197.15410	0.4
203.05321	0.4
211.13141	0.4
225.14944	0.9
233.11473	0.4
243.08507	2.3
267.16049	2.0
269.12396	0.4
271.06140	0.5
283.15192	6.9
283.18076	0.4
287.05444	2.2
288.05701	0.3
339.17859	1.4
342.76553	0.3
441.21057	0.9
451.19760	0.3
469.20712	1.0
483.21994	0.6
497.01660	0.3
501.23077	29.6
502.23532	1.0
565.21112	0.5
599.34454	0.8
728.44342	0.3
743.37811	0.4
761.39301	100.0
762.39801	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01871	0.9
55.05497	1.5
57.03429	1.7
61.02927	3.3
64.91336	0.5
67.05512	3.1
69.03439	3.0
69.07067	2.1
71.04998	0.7
73.02920	3.3
79.05491	3.2
81.03426	4.3
81.07053	4.3
83.04987	1.0
83.08614	1.3
85.02905	5.4
86.78153	0.5
90.56094	0.4
91.03956	1.8
91.05480	4.2
93.07043	3.3
95.04981	1.9
95.08608	2.0
97.02900	3.7
97.06567	1.1
98.20771	0.8
99.04459	0.8
101.02384	1.4
105.07043	3.3
107.04944	1.2
107.08593	1.4
109.02898	0.6
109.06490	0.5
109.10190	0.6
111.08096	0.9
117.07025	0.7
119.08575	3.0
121.10147	1.4
127.03934	1.1
129.06975	1.1
131.08549	2.0
133.10139	2.2
135.11720	0.7
145.10139	0.8
147.11714	1.6
149.09645	1.1
157.10127	1.3
159.11771	0.8
175.11349	0.5
184.07275	0.7
193.12309	1.4
203.05164	0.5
243.08415	2.6
251.12639	1.4
307.15344	0.5
315.19318	5.2
339.02280	0.4
371.22141	0.8
377.88107	0.5
388.67401	0.5
396.20657	0.4
412.41486	0.6
448.29321	0.6
448.82770	0.5
451.20056	0.5
469.20459	10.8
519.86163	0.5
533.27179	4.8
534.28119	0.6
624.59967	0.4
761.40802	100.0
762.41260	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	760.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
55.01865	4.6
55.05516	29.6
57.03163	1.1
57.03439	23.8
57.07077	1.8
59.67134	1.6
60.08162	1.9
61.02924	4.4
65.03936	5.7
67.05510	85.4
69.03427	4.9
69.06739	2.0
69.07076	20.0
69.94424	6.6
69.94772	2.3
71.04983	4.8
73.02917	3.1
79.05498	55.1
79.36826	1.4
81.03426	98.2
81.07064	87.2
82.07410	1.8
83.04983	8.6
83.08628	30.1
85.02909	3.2
85.06548	2.7
85.98292	1.4
86.09704	13.5
89.48646	1.3
91.03955	2.4
91.05486	48.0
92.05787	1.8
93.07050	63.3
94.07375	1.8
95.04977	30.5
95.08614	55.8
97.02890	5.4
97.06548	8.3
97.10162	7.6
98.20788	1.7
105.06393	2.7
105.07042	38.5
106.07401	2.2
107.04972	11.5
107.08597	34.2
109.06541	7.9
109.10165	25.2
109.10867	1.0
111.04449	2.6
111.08109	10.1
115.05461	1.7
117.07060	10.6
119.08588	30.6
121.06512	5.9
121.10148	30.9
122.10532	1.6
123.08077	5.1
123.11668	7.4
124.81296	1.4
125.00017	7.2
125.09637	6.2
127.03737	1.5
129.07019	12.1
131.08588	28.2
133.06512	4.1
133.10149	21.6
135.08087	2.5
135.11711	20.8
137.09628	4.3
137.13277	3.6
139.11223	1.6
139.82365	1.3
142.07797	3.7
143.08553	3.7
145.10147	13.0
147.08058	4.2
147.11699	21.0
149.09642	10.3
149.13274	10.5
151.14798	1.9
157.10138	12.8
159.11705	7.9
161.13223	7.7
163.11226	2.4
163.14857	3.8
165.12784	3.7
169.10103	1.5
171.11726	3.4
173.13251	9.2
175.11229	10.4
175.14807	4.9
177.12823	2.4
177.16354	2.4
183.11742	2.7
184.07356	35.9
185.13283	2.2
187.14842	4.5
189.11266	4.3
193.12276	23.7
194.87843	1.3
199.11147	1.4
201.16333	1.7
205.12306	1.4
211.13298	2.8
227.12740	7.5
235.13342	2.0
243.08238	1.8
243.21101	5.9
249.14825	3.4
259.20590	2.6
261.22180	22.3
267.15933	100.0
268.16293	1.8
273.15067	2.2
279.23117	3.6
285.16922	3.5
289.21368	2.1
301.25229	5.5
309.16995	2.6
317.24789	3.5
333.24268	2.2
335.25815	99.2
336.26096	4.0
403.25165	1.8
417.31509	2.0
421.25650	1.7
435.27383	2.7
435.32660	4.5
453.33554	9.1
465.20596	2.0
466.21548	1.6
471.34579	5.2
475.30609	1.7
527.37366	75.0
528.37524	3.5
536.29315	1.9
545.38416	59.3
563.39099	4.3
569.38281	4.1
635.39575	1.7
653.40033	2.1
710.43219	3.7
760.30353	2.6
760.43213	34.1
761.40387	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	759.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.4
61.85559	1.5
71.53126	2.1
76.42654	1.4
84.96024	4.8
85.02909	3.5
86.75662	1.4
98.97589	60.5
101.13860	1.6
110.97567	24.2
112.99149	2.0
115.44540	1.5
116.98625	19.6
127.03885	2.1
128.98619	20.8
134.99625	3.2
140.98615	7.3
143.00174	10.8
146.99664	7.4
152.98584	5.3
158.99651	24.7
161.01225	5.5
170.99666	48.2
174.72939	1.7
177.00702	12.7
182.99663	21.0
189.00720	31.7
194.99648	2.3
201.00711	60.5
207.01729	2.8
211.01068	2.3
213.00693	4.2
219.01776	36.7
231.01793	7.8
237.02827	23.5
243.01775	23.8
255.03941	1.7
260.87631	1.5
261.02838	100.0
273.02878	8.3
279.00885	3.2
279.03879	42.8
291.03906	16.5
302.05292	1.6
321.04938	31.9
333.04898	5.9
351.05957	8.0
381.07101	18.7
399.08374	10.9
416.06891	1.7
417.04715	98.9
418.07715	5.8
426.67010	1.7
435.05975	9.1
441.09177	95.3
442.09564	4.1
453.08859	2.0
471.10168	3.5
501.11368	10.8
543.12323	5.1
561.12842	1.8
723.18506	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	759.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29315	0.8
56.96568	5.9
68.06905	0.7
69.03423	0.9
70.23312	3.1
73.10178	0.8
75.25278	0.8
84.96038	4.8
90.17274	0.8
98.97588	59.0
110.97571	27.6
112.99172	2.0
116.98637	14.7
124.99103	2.3
128.98618	19.4
131.00180	0.7
134.99657	1.9
140.98552	6.0
143.00185	12.0
146.99702	4.6
152.98608	6.3
158.99678	27.6
161.01207	5.3
170.99663	44.4
173.01152	1.2
177.00723	11.6
182.99658	26.0
183.01244	1.4
189.00726	21.8
194.99657	1.2
201.00719	54.1
207.01846	1.9
212.02321	1.1
213.00723	6.9
219.01775	37.9
223.90224	0.8
225.00700	0.8
231.01889	5.2
237.02847	15.4
243.01793	29.6
243.04271	1.7
254.99422	2.0
261.02832	100.0
273.00394	2.3
273.02893	8.1
276.98648	0.8
278.09946	0.9
279.03900	41.2
280.04227	1.1
291.03903	14.1
297.04694	0.9
302.05557	0.9
303.03949	1.4
309.05032	1.0
321.04932	31.1
333.04816	4.7
351.06036	9.7
363.05591	1.0
381.07040	16.4
399.08054	9.7
417.04730	92.3
435.05750	7.0
441.09204	85.4
442.09631	1.7
453.09323	1.7
453.25821	0.9
458.07678	1.0
471.10352	2.5
501.11368	8.7
525.11346	1.1
543.12219	3.3
561.13519	1.5
561.73724	0.9
723.18475	4.9
782.62848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
54.36966	0.5
55.01869	1.1
55.05511	14.4
55.82663	0.6
57.03434	6.5
57.07064	2.3
59.04999	1.4
60.08162	0.9
61.02926	3.1
65.03936	2.4
67.05505	61.0
69.03433	2.6
69.07067	11.7
71.04995	18.2
71.07423	0.5
71.08642	0.8
71.36319	0.6
71.36652	0.6
73.02915	0.8
76.48083	0.6
79.05495	32.4
81.03420	1.6
81.07056	87.3
83.04984	4.0
83.08617	8.2
83.91208	0.5
85.02893	3.3
85.06541	6.9
86.09698	4.1
91.03963	0.6
91.04907	0.9
91.05480	26.1
93.07046	37.4
95.04961	3.2
95.08607	27.9
97.02900	1.6
97.06538	4.1
97.10178	2.5
99.08090	1.2
102.54253	0.6
105.04519	1.1
105.07029	15.1
107.08593	21.6
109.06522	2.4
109.10152	13.0
111.08102	1.8
113.39433	0.7
117.07019	4.6
119.08598	9.0
121.10139	14.9
123.08128	0.8
123.11709	13.9
125.00002	3.3
125.09603	1.2
129.07018	0.9
130.23730	0.5
131.08577	9.5
133.10129	16.9
135.11688	10.9
137.09641	0.8
145.10115	4.3
147.11682	3.2
148.87399	0.6
149.09711	0.8
149.13225	5.7
151.11194	6.0
157.10132	0.7
159.11710	4.9
161.13289	2.3
163.14839	0.8
169.12283	1.0
171.11705	0.9
173.13263	2.2
175.14818	1.2
177.12730	2.5
179.14410	0.7
183.13844	2.2
184.07341	15.1
185.07672	0.8
187.13287	3.3
187.14893	1.4
193.12241	0.7
195.13866	1.4
201.14796	0.7
201.16443	0.8
225.15053	0.5
227.16443	1.4
229.14580	0.7
243.15773	0.9
243.21095	0.7
257.17441	1.5
261.22205	1.9
269.17453	5.4
285.16898	0.9
301.20114	17.7
317.24747	0.7
335.25797	32.4
336.26340	0.7
411.32660	0.6
443.08505	0.6
449.18222	0.6
485.36130	2.1
503.37299	93.0
504.37991	3.0
511.38397	0.6
517.38971	3.6
529.38885	14.1
561.41504	100.0
562.41711	2.9
705.45581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.01871	8.5
55.05511	22.5
57.03440	15.7
57.07073	2.5
59.05010	2.2
59.56972	1.1
60.08167	1.2
61.02926	5.7
63.52747	1.0
65.03941	1.4
67.05507	71.6
69.03436	2.1
69.07068	19.4
69.33583	2.5
69.33984	6.2
71.01353	3.0
71.05006	5.3
73.02914	2.5
77.03932	1.7
79.05495	61.3
81.03425	18.0
81.07058	63.6
83.01357	2.3
83.04983	17.7
83.08627	11.1
85.02906	9.3
85.06539	2.9
86.09705	6.7
91.03954	2.1
91.05483	36.2
93.07045	66.4
95.04965	11.7
95.08604	45.0
97.02899	11.5
97.06549	9.9
97.10166	6.5
98.20766	2.3
99.04462	2.5
99.08080	1.7
103.04136	1.3
103.05481	1.4
105.04523	1.5
105.07031	23.5
107.04954	10.9
107.08598	37.9
109.02841	1.1
109.06534	5.3
109.10162	25.1
111.04459	11.9
111.08060	5.9
111.11708	2.2
113.05999	1.3
115.05495	1.0
117.07005	14.2
119.08575	19.9
121.06522	3.6
121.10143	33.0
123.08081	7.7
123.11700	6.3
125.00041	3.5
125.06022	1.7
125.09640	4.6
129.07021	4.2
130.07819	1.3
131.04942	2.0
131.08565	17.6
133.10130	10.7
135.08076	4.5
135.11696	24.7
137.09666	3.7
139.11177	2.6
143.08591	3.0
145.06500	2.8
145.10127	25.5
147.08058	4.0
147.11723	6.9
149.09645	4.7
149.13235	5.0
151.11157	1.7
153.12752	12.9
155.08575	3.2
157.10167	1.2
159.11639	6.7
161.13283	4.8
163.11185	30.5
163.14812	2.2
171.11734	1.8
173.09621	7.3
173.13243	6.3
175.14769	2.0
181.12268	8.9
183.11726	2.0
184.07343	18.0
187.14780	2.3
188.64224	1.1
189.11195	1.7
191.10629	12.5
194.76920	1.1
201.16373	1.6
209.11732	26.8
209.13647	1.7
227.12781	16.2
229.14397	1.3
243.21048	5.8
245.13885	3.8
259.20667	3.1
261.22168	12.5
265.14395	4.6
267.16031	2.2
271.15286	1.1
273.22092	1.2
283.15408	33.4
299.23834	1.5
301.16452	66.8
302.16751	1.4
308.91132	1.0
317.24762	3.4
335.25827	100.0
336.26114	2.3
433.30630	1.4
451.32117	4.4
469.33057	4.4
487.34070	2.1
507.35602	1.4
525.35803	9.2
543.36804	52.7
544.37000	1.7
561.37866	93.7
562.38269	2.4
579.38519	1.7
619.99030	1.3
644.89911	1.1
758.41315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.01867	7.3
55.05273	2.0
55.05512	27.5
57.03437	17.0
57.07071	2.7
59.05007	1.4
60.52282	1.0
61.02924	5.2
65.03929	3.9
67.05505	87.3
69.03411	3.9
69.07070	21.0
69.32439	2.3
69.32843	7.2
71.01332	1.6
71.04998	5.2
73.02912	2.9
79.05492	64.0
81.03419	11.4
81.07058	74.1
83.04563	1.2
83.04987	16.5
83.08160	1.0
83.08623	13.5
85.02913	9.5
85.06523	3.5
87.68787	1.0
91.03957	2.3
91.05477	44.2
93.07044	68.2
95.04972	15.0
95.08610	56.8
97.02907	10.0
97.06537	9.7
97.10147	5.3
99.04443	3.6
99.08084	2.4
103.05457	1.5
105.04515	1.4
105.07031	26.2
107.04961	13.9
107.08595	44.2
109.02851	2.9
109.06528	5.6
109.10153	25.7
111.04443	16.2
111.08102	4.8
113.09579	1.6
115.05457	1.9
117.07016	20.2
117.81885	1.0
119.07796	1.8
119.08586	25.3
121.06528	5.2
121.09328	2.0
121.10143	31.9
123.04430	1.3
123.08087	5.4
123.11690	7.4
125.06022	2.0
125.09601	3.4
128.06276	1.6
129.06985	5.8
130.07784	2.8
131.08563	21.5
133.06438	2.0
133.10143	18.2
135.08083	4.9
135.10690	1.9
135.11691	30.5
137.09593	4.2
137.13231	1.9
139.11186	2.1
141.06956	1.6
143.08553	3.9
145.06451	2.6
145.10114	30.2
147.08028	3.7
147.11687	7.6
149.09647	5.5
149.13249	9.1
151.11139	3.2
153.09064	1.1
153.12750	6.0
155.08525	3.9
157.10133	3.5
157.63397	1.0
159.11693	10.1
161.09647	1.7
161.13280	6.5
163.11191	27.1
163.14824	3.3
167.10640	1.3
169.10121	2.1
171.07936	1.3
171.11687	2.9
173.09637	10.1
173.11859	1.8
173.13210	7.9
175.11189	2.2
175.14807	2.8
177.12776	1.5
181.10199	1.6
181.12189	6.7
183.11674	1.8
185.13185	1.5
187.14784	3.6
189.11185	1.5
191.10690	10.6
193.10156	1.1
193.12155	1.4
195.11623	1.2
197.13344	1.8
199.14812	2.2
201.16338	1.3
209.11726	29.4
219.17673	1.4
225.34914	1.0
227.12724	13.7
229.14383	1.5
243.21066	4.8
253.14352	1.7
255.15872	1.1
259.20563	3.0
261.22125	15.5
265.14478	1.9
269.17694	1.3
273.22012	2.9
283.15378	63.1
289.21503	1.1
297.21829	1.3
299.23642	1.5
301.16437	33.8
301.21597	1.3
317.24728	4.3
333.24142	2.8
335.25800	100.0
336.26187	3.4
415.29974	1.3
433.30902	5.1
443.28033	1.1
451.32074	11.2
469.33145	9.1
487.33954	4.0
507.34579	2.7
515.37402	3.0
525.35822	14.9
533.37976	1.2
543.36816	85.6
544.36957	2.4
561.37805	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	757.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
57.07072	1.9
60.08166	1.4
61.02927	4.7
67.05499	2.5
69.03422	2.1
69.07069	1.9
71.04993	1.3
71.08634	2.0
73.02915	2.2
79.05499	1.8
81.03420	3.1
81.07065	3.5
83.08622	1.7
85.02925	4.6
85.10185	1.2
86.09710	6.8
87.10047	0.9
91.03977	2.8
91.05488	2.2
93.07017	1.6
95.04951	1.2
95.08591	1.8
97.02905	4.2
98.21545	1.6
99.04465	1.0
99.98985	0.8
101.02381	1.8
105.07098	0.9
106.12477	0.7
109.10148	1.4
110.58682	0.7
125.00008	4.0
127.03976	1.4
129.07018	0.9
131.08588	1.0
133.10144	1.5
147.11707	1.3
149.09676	1.1
184.07356	20.4
185.07755	2.7
243.08461	1.7
283.15234	3.1
313.27444	1.0
339.17844	1.0
497.31049	6.3
501.23126	14.4
660.24078	1.2
753.36652	0.9
757.47052	100.0
758.47266	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
55.01867	5.4
55.05513	29.4
57.03444	21.2
57.07074	3.4
61.02925	5.2
62.51158	2.4
65.03943	3.7
67.05508	70.2
69.03416	6.2
69.07076	22.8
71.04988	8.3
72.04492	2.4
79.05495	70.1
81.03420	59.4
81.07060	78.3
83.04989	16.0
83.08623	27.9
85.02908	22.4
85.06534	4.7
91.05485	100.0
93.06481	3.9
93.07046	71.3
95.04971	29.6
95.08613	42.0
97.02901	5.7
97.06514	9.5
97.10167	10.3
98.21523	5.7
99.08070	3.0
105.07036	96.8
107.04929	9.0
107.08605	40.0
109.02889	3.1
109.06499	8.9
109.10154	19.7
111.04434	3.8
111.08092	12.8
117.07026	19.8
119.08585	78.7
121.06543	5.9
121.10145	31.4
123.08089	4.5
123.11721	7.9
125.09646	3.3
128.06207	3.5
129.07021	22.4
131.08565	36.4
133.06485	2.5
133.10129	67.2
135.11719	26.6
137.09578	6.2
141.06979	3.4
142.07787	5.9
143.08569	11.6
143.10622	2.6
145.10120	33.6
147.07988	3.2
147.11693	62.2
149.09650	7.5
149.13284	12.4
155.08499	3.1
157.10121	27.2
159.11682	23.2
161.09657	2.0
161.13248	26.1
163.11171	4.5
163.14893	4.0
165.12733	4.7
169.10132	4.4
171.11656	14.3
171.24202	2.7
173.13217	11.3
175.11200	14.8
175.14894	10.8
181.10042	3.8
183.11642	4.0
184.07321	4.3
185.13309	13.3
187.14810	2.9
193.12260	39.3
199.14821	7.6
209.13211	3.6
211.11339	3.6
211.13292	49.2
211.15257	2.9
213.16444	3.3
227.12720	4.4
229.14369	3.7
231.21056	8.5
241.19516	31.2
259.20599	88.8
267.15842	19.6
269.17316	2.6
275.20041	3.9
283.15466	4.0
285.16946	62.7
297.22354	2.9
301.21573	4.4
315.23248	11.1
315.26328	2.5
325.21347	3.7
333.24255	78.3
334.24255	2.5
335.25635	4.0
372.42828	2.1
415.29684	4.4
433.30933	9.2
451.31946	9.4
469.32690	3.4
507.34824	2.9
515.37097	5.1
525.35797	34.1
543.36810	95.1
544.36987	5.2
558.77209	2.8
606.07953	2.7
740.21460	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01872	0.9
55.05519	2.4
57.03444	1.7
61.02932	3.5
67.05511	7.2
69.03436	1.9
69.07081	3.6
70.90748	0.7
70.91073	0.8
71.04979	1.0
73.02924	2.5
79.05500	6.9
81.03425	2.3
81.07069	7.2
83.04998	1.4
83.08643	1.4
83.92348	0.6
85.02914	4.0
91.03987	1.3
91.05486	5.3
93.07048	5.7
95.01353	1.0
95.04983	2.1
95.08591	4.2
97.02899	3.1
97.06566	1.1
97.10157	0.6
101.02370	1.2
105.07049	4.9
107.04972	1.9
107.08611	2.5
109.10165	1.3
111.08079	0.7
117.07036	1.6
119.08586	4.0
121.06522	0.9
121.10194	1.1
123.08118	0.7
127.03930	1.4
129.07013	1.2
131.08591	1.2
133.10133	3.1
135.11725	1.8
143.08694	0.7
145.10172	1.8
147.11732	2.1
149.09625	1.0
159.11679	0.7
161.13266	0.7
163.11180	1.2
171.11778	1.2
174.50165	0.7
179.14366	0.9
184.07433	0.7
185.04179	0.6
205.25938	0.6
209.11890	0.7
243.08540	2.6
247.13162	1.4
260.80637	0.6
261.22006	0.6
265.95789	0.5
283.15555	1.3
300.15460	0.8
315.19299	5.3
335.25861	2.8
347.37042	0.6
371.22284	1.3
465.20999	9.1
533.27228	7.3
543.36957	1.2
561.38202	0.7
757.41382	100.0
758.42029	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
55.01870	3.1
55.05514	22.7
57.03441	19.6
57.07075	4.2
59.05000	1.8
60.08156	4.0
61.02921	2.5
65.03930	2.7
67.05509	69.1
69.03415	4.6
69.07069	16.3
71.01360	1.6
71.04979	6.0
71.54655	3.0
79.05495	53.4
81.03423	98.2
81.07061	73.7
83.04969	6.4
83.08620	24.2
85.02905	3.9
86.09227	1.9
86.09714	26.0
91.05482	39.0
93.07049	54.4
95.04977	28.5
95.08609	50.6
97.02906	3.9
97.06540	4.0
97.10183	8.4
98.98471	3.8
105.07030	31.9
107.04977	8.0
107.08602	32.1
109.06517	5.0
109.10154	28.3
111.08061	7.2
116.06190	1.6
117.07035	10.5
119.08603	26.0
119.44595	1.4
121.06495	5.2
121.10153	25.3
123.04422	1.5
123.08098	2.6
123.11688	7.2
124.99991	13.4
125.09612	5.3
129.05486	1.6
129.07001	9.7
130.07831	1.6
131.08568	20.2
133.06514	2.0
133.10139	20.8
135.08032	2.6
135.11707	14.0
137.06052	1.4
137.09601	4.5
137.13278	2.1
142.07733	3.3
143.08490	1.9
145.10135	12.1
147.08031	3.5
147.11732	13.2
149.09596	9.3
149.13251	7.6
151.11189	3.0
157.10129	11.5
159.11745	8.1
161.13257	6.6
163.11142	2.4
163.14821	4.7
165.12808	2.0
169.10129	1.7
171.11769	2.2
173.13290	7.4
175.11195	11.0
184.07346	71.9
185.13301	3.3
187.14807	4.5
189.11229	4.4
193.12253	18.7
205.12192	2.5
209.13417	1.5
211.13303	1.8
227.12767	6.5
243.21129	6.1
249.14987	2.5
261.22153	25.4
267.15924	100.0
268.16248	1.8
299.14877	4.6
300.53961	1.7
301.14105	2.0
301.25259	5.4
306.45618	1.8
309.17050	2.0
317.24683	2.0
333.24161	2.0
335.25818	96.6
421.26099	1.8
435.27261	2.4
435.32495	6.4
453.33667	8.2
471.34613	5.0
509.36234	2.5
527.37311	61.4
528.37836	2.1
545.30542	3.0
545.38416	49.7
559.35614	2.1
566.79370	1.8
569.38013	4.3
635.39655	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01868	10.1
55.05516	17.2
57.03441	11.1
67.05504	36.7
69.03408	2.9
69.07068	25.0
69.27100	16.9
71.04977	4.3
72.80772	1.8
79.05064	3.1
79.05498	38.7
81.03412	37.1
81.07059	50.5
83.04968	12.8
83.08620	15.4
85.02907	15.4
85.06554	2.7
91.05477	60.9
93.07044	34.0
95.01340	6.4
95.04978	19.4
95.08610	28.9
97.02892	2.8
97.06535	25.7
97.10156	5.6
98.20800	4.0
99.08081	3.4
105.04558	1.7
105.07032	72.0
107.04955	16.8
107.08595	16.5
109.06526	6.3
109.10181	6.9
111.04505	2.2
111.08102	7.6
115.70353	1.7
117.07002	12.6
119.07704	2.7
119.08574	41.2
121.06528	4.8
121.10167	10.1
123.08060	5.7
123.11707	2.4
129.06953	9.8
131.08560	23.7
133.10123	40.4
135.08089	2.5
135.11731	5.8
137.09607	3.5
141.06999	3.1
142.07784	3.7
143.08594	3.8
145.10135	15.3
147.08102	2.8
147.11687	19.0
148.93939	2.1
149.09622	7.8
149.13252	4.1
151.11133	2.6
154.92169	1.9
157.10112	10.8
159.11688	9.8
161.13297	4.3
163.11179	5.4
165.09157	2.4
165.12776	2.0
169.10135	2.2
171.11636	3.1
173.13252	3.1
175.11221	6.8
177.12708	2.6
179.14261	8.9
183.11694	3.4
184.07332	2.8
193.12265	20.3
211.13289	22.9
219.47771	2.0
227.12854	3.4
245.17365	1.8
257.19043	4.7
265.92862	1.8
267.15909	31.2
275.20062	61.5
279.15915	3.4
285.16971	65.5
293.21173	3.9
333.24289	2.9
349.23755	35.2
461.29169	2.6
541.35254	66.3
559.36285	100.0
560.36414	2.6
586.29059	2.1
688.92291	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.6
53.03933	3.5
55.01854	4.0
55.05267	1.8
55.05513	19.5
57.03438	13.0
57.07061	1.9
59.05003	2.5
61.02909	4.0
65.03931	2.8
67.05507	46.7
69.03423	2.9
69.07076	10.8
69.27025	3.4
69.27446	5.7
71.01356	1.2
71.04985	2.5
73.02924	1.7
79.05495	34.0
81.03403	3.8
81.07059	49.8
83.04966	3.5
83.08616	11.4
85.02887	4.4
85.06512	2.5
91.03960	1.5
91.05482	31.0
93.07048	40.2
95.04972	6.4
95.08610	30.4
97.02889	4.6
97.06518	4.5
97.10153	3.0
97.54326	0.9
99.00198	1.3
99.00822	15.4
99.04473	1.5
99.08076	3.1
103.05469	1.2
105.07028	26.1
107.04938	3.9
107.08597	22.7
108.75297	1.1
109.02890	9.2
109.06487	1.9
109.10159	15.1
111.04453	1.5
111.08076	3.8
111.22204	1.1
115.03927	2.2
117.07013	7.9
119.07792	1.5
119.08582	16.5
119.09389	1.8
121.06487	5.8
121.10141	14.4
123.04404	2.1
123.08070	2.1
123.11695	5.7
127.03867	2.8
128.06212	1.8
129.07001	2.0
131.08571	10.1
133.06480	1.4
133.10130	37.4
135.07997	1.8
135.11700	11.4
137.05981	1.4
137.09610	1.8
137.13185	1.7
139.07520	2.4
141.05438	1.6
143.08574	5.1
145.06525	1.0
145.10120	4.6
147.11676	5.0
149.13260	5.5
151.11201	8.9
157.10075	1.1
159.11665	3.3
160.10425	1.0
161.09616	16.9
161.13261	3.7
162.03278	0.9
163.14908	2.2
171.08026	3.8
173.13243	4.6
175.14717	1.8
177.16399	1.2
179.10683	7.6
184.07350	4.5
187.14716	1.3
189.09143	9.8
189.10893	1.8
197.11702	1.8
207.10146	3.1
225.11230	13.9
241.85593	1.1
243.12193	3.1
243.21051	4.7
259.20789	1.0
261.22134	18.1
279.23276	1.3
281.13840	3.4
299.14893	90.1
315.23215	2.3
317.24680	3.6
318.08963	1.1
335.25806	100.0
336.26071	2.2
449.30280	1.7
467.31372	3.3
485.32755	2.0
513.35577	3.0
531.36389	2.1
541.35272	8.9
559.36292	51.4
560.36310	2.5
577.37146	3.1
593.95148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.8
55.01879	2.5
55.05513	11.2
57.03432	5.5
57.19418	0.6
62.05586	0.5
65.03912	0.7
66.15050	0.5
67.05504	15.8
69.03380	1.9
69.07076	4.2
70.81163	1.4
71.04987	2.5
79.05496	17.3
81.03419	40.1
81.03863	1.3
81.07061	15.6
83.04978	4.1
83.08620	12.5
85.02873	1.2
85.06501	1.5
91.05476	13.7
91.65118	0.6
93.07047	11.3
95.04969	17.9
95.08601	7.8
97.02867	0.7
97.06517	3.3
97.10172	14.4
99.04379	0.6
105.04460	0.6
105.07034	11.7
107.04955	11.2
107.08595	10.2
109.06522	7.2
109.10168	4.4
111.04416	1.0
111.08073	5.0
113.06012	0.6
115.05381	1.8
117.07039	4.7
119.04905	0.9
119.08588	8.4
121.06510	7.0
121.10142	7.7
123.04368	1.6
123.08069	3.4
123.11675	0.7
125.05939	0.6
125.09635	12.3
129.06998	7.0
131.04855	1.7
131.08578	9.0
133.06483	3.3
133.10129	3.6
135.08083	4.8
135.11588	1.3
137.05937	1.2
137.09554	1.6
139.11122	1.0
141.06961	1.0
142.07750	1.4
143.08543	2.6
145.06480	6.1
145.10104	3.4
147.04387	1.2
147.08063	4.1
147.11682	5.4
149.05951	0.7
149.09608	4.5
153.07019	0.6
153.09113	3.1
153.12724	0.5
155.08551	1.6
157.06421	1.8
157.10136	7.3
159.08017	2.4
159.11653	1.3
161.05902	1.3
161.09570	1.8
161.13144	0.5
163.07509	0.8
163.11169	2.6
165.12700	1.4
167.08487	1.4
167.10632	1.3
169.10081	1.5
171.07938	1.6
171.10220	1.2
171.11626	2.1
173.05865	0.5
173.09598	1.3
173.13174	1.4
175.11171	6.5
176.10338	0.5
177.12743	1.3
181.10126	1.0
183.11752	1.0
185.09616	0.9
185.13208	1.0
187.11081	1.2
187.14787	0.6
189.09488	0.8
189.11165	6.3
189.12727	1.4
191.14232	1.6
192.00325	0.5
193.10428	0.8
193.12248	15.0
195.11665	1.5
197.09586	1.1
197.13132	1.1
199.11061	1.5
199.13057	0.7
201.12756	1.0
203.14326	0.7
205.12222	1.4
209.13274	1.2
211.11232	1.0
211.13228	1.2
213.12671	1.6
215.14296	2.2
217.12161	1.8
219.13773	2.9
223.11211	1.0
223.13191	1.3
225.12648	1.1
227.12622	2.6
231.13779	1.1
233.15317	3.3
235.13203	1.4
237.12743	1.5
237.14922	0.6
239.14336	0.7
243.13818	1.0
245.15344	0.9
249.14830	1.4
251.14151	0.5
255.13741	2.6
257.15356	0.9
259.13284	1.4
267.15918	31.9
268.16342	0.6
269.15472	0.6
271.06094	2.8
271.16901	0.8
273.14767	6.1
273.17166	0.7
275.16449	0.9
293.17471	1.3
321.22040	0.6
331.20352	0.6
339.23218	1.9
349.21616	4.4
357.24304	1.9
367.22641	13.0
368.23718	0.6
379.22595	0.6
385.23727	18.8
397.22330	0.5
403.24780	6.4
405.24191	0.9
423.25186	0.9
441.26376	10.7
459.27420	100.0
460.27686	3.3
477.28488	91.4
478.28983	2.5
491.30032	13.0
501.28506	1.9
509.31143	6.4
513.28760	0.7
531.29663	0.7
541.34125	1.4
567.29340	1.9
585.30792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88395	4.0
53.03936	10.5
55.05521	26.7
57.03423	10.7
61.69231	4.0
67.05509	74.7
69.03433	5.3
69.07064	17.6
71.57072	5.7
79.05064	8.0
79.05492	97.8
81.03413	9.6
81.07065	57.4
83.04971	10.5
83.08622	7.9
85.06528	5.2
91.05487	85.0
93.07047	100.0
95.04957	20.2
95.08603	40.8
97.06509	6.7
105.07043	76.7
107.04939	10.9
107.08593	31.5
109.06521	5.4
109.10136	12.6
117.07004	22.7
119.08584	63.1
121.06563	5.4
121.10133	19.5
123.08068	11.1
129.06985	19.7
129.41423	4.2
131.08556	20.0
133.10144	44.7
135.11676	16.9
143.08546	14.4
145.10097	23.5
147.11713	56.5
149.13219	5.2
159.11688	20.0
161.13272	29.8
171.11700	31.4
173.13301	8.8
175.14819	10.6
177.68546	4.2
185.13341	7.6
189.12749	6.8
207.13815	20.1
241.19554	23.7
259.20587	58.8
261.22241	6.1
279.15894	14.5
281.17487	69.7
333.24280	37.4
465.33380	5.3
539.37354	80.2
540.37305	4.8
557.38409	27.3
604.51154	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	749.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05503	1.7
57.03437	2.0
57.07061	0.8
61.02926	5.2
63.66457	0.3
65.03938	0.4
67.05508	6.5
69.03439	3.1
69.07059	1.6
71.01354	0.4
71.05004	2.7
71.57751	0.4
73.02929	4.0
75.04470	0.4
79.05497	3.5
81.03426	2.6
81.07055	4.9
83.04983	0.5
83.08618	1.1
85.02911	5.9
87.04498	0.5
91.03956	3.4
91.05482	2.6
93.07040	3.9
95.08615	3.3
97.02897	4.8
99.04452	0.9
101.02371	1.9
103.03958	0.6
105.07030	1.3
107.08609	1.8
109.02856	0.8
109.10149	3.3
113.67295	0.4
115.03933	0.6
117.07047	0.6
119.08568	1.5
121.10149	1.8
123.11765	0.6
124.56387	0.4
127.03920	1.8
131.08565	0.6
133.10091	1.1
135.11697	1.2
137.09689	1.0
138.50551	0.4
145.10214	0.4
149.13367	0.5
185.04298	0.7
193.12271	0.6
195.00421	0.6
203.05193	0.6
243.08499	1.9
253.14204	1.8
267.16019	0.5
313.27505	0.8
327.02094	0.4
335.26053	0.5
407.70532	0.4
453.42560	0.4
471.21957	4.0
482.15994	0.4
487.33920	0.5
519.29352	7.1
627.69006	0.5
749.44385	100.0
750.44641	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	753.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
55.01874	13.5
55.05515	36.8
55.95311	2.6
57.03434	17.9
57.07059	3.9
59.05013	2.9
64.00949	2.3
65.03909	3.7
67.05510	88.6
69.03426	18.9
69.07069	16.6
70.35635	2.5
70.35971	9.1
71.01369	2.5
71.04992	10.4
73.02895	2.9
79.05502	34.7
81.03424	100.0
81.07061	35.4
83.04999	21.3
83.08627	29.4
85.02916	45.7
85.06528	4.2
87.04437	2.4
91.05484	33.5
93.07056	25.3
95.04986	25.6
95.08626	19.7
97.02895	20.6
97.06532	9.6
97.10186	14.1
99.04460	5.0
103.03912	2.6
105.07038	20.9
107.04976	12.0
107.08611	16.4
109.02897	21.6
109.06517	8.5
109.10168	49.0
111.04445	9.9
111.08085	8.0
117.06999	7.2
119.08585	20.1
121.06556	6.4
121.10162	10.0
123.04436	5.8
123.08088	2.3
125.09644	16.5
127.03888	12.8
129.05467	2.9
129.06996	11.0
131.03378	4.4
131.08553	8.9
133.06464	4.0
133.10139	8.4
135.04395	3.7
135.08064	4.1
135.11699	4.3
137.05954	4.5
137.09630	3.9
139.03889	3.0
143.08566	3.3
143.10637	3.1
145.10150	8.9
147.04405	2.7
147.08058	4.6
147.11711	12.4
149.09653	6.8
153.12762	4.2
155.10689	2.7
157.10158	9.3
163.11160	9.1
165.12714	4.0
171.11679	4.2
173.04469	12.7
173.11798	11.6
175.11177	13.6
181.12279	4.3
183.06596	3.3
187.11195	2.5
189.11250	3.0
189.12831	3.3
191.10612	3.2
193.12270	32.1
193.13919	3.8
199.13377	4.3
209.11714	10.1
211.13313	38.3
217.12163	3.8
227.12782	10.0
229.14346	22.8
235.13275	4.4
249.15004	2.6
267.15927	19.2
283.15375	6.5
285.17007	7.3
301.13922	3.1
309.16977	6.1
347.15298	2.8
421.26141	4.3
432.63812	3.3
439.26926	34.2
463.26892	4.6
493.27902	4.6
496.54718	2.6
609.36163	4.3
637.32056	2.9
753.40613	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44215	0.2
53.03936	0.3
55.05515	1.2
57.03439	1.7
61.02650	0.3
61.02933	3.9
65.03949	0.4
66.65816	0.2
67.05507	3.2
69.03433	2.4
69.07068	1.1
69.77969	1.4
71.01359	0.5
71.05003	0.3
73.02920	3.0
78.92533	0.3
79.05498	2.7
81.03419	2.8
81.07063	3.0
83.08626	1.0
85.02910	5.1
87.04504	0.3
90.79477	0.3
91.03960	2.4
91.05503	2.4
93.07053	2.8
95.04976	0.9
95.08615	1.7
97.02905	4.3
97.06563	0.3
98.20912	0.4
99.04465	0.6
101.02386	2.0
103.03951	0.3
105.07034	1.4
107.08614	1.1
109.02886	0.6
109.06524	0.4
109.10204	0.7
111.04433	0.3
111.08115	0.5
119.08585	1.6
121.10162	1.0
127.03936	1.2
129.07062	0.8
131.08586	1.2
133.10187	0.8
135.11777	0.6
140.69701	0.3
145.04991	0.4
145.10139	0.3
147.11723	1.1
149.09863	0.3
149.13310	0.3
157.10146	0.6
175.11255	0.4
184.07405	0.3
185.04320	0.6
191.22635	0.3
193.12320	1.0
203.05374	0.4
226.72218	0.3
243.08398	2.1
251.12637	0.8
307.15372	0.3
335.25940	0.5
347.99969	0.3
469.20499	7.7
519.29443	4.5
629.21075	0.3
629.59241	0.3
710.13049	0.3
747.42920	100.0
748.43323	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82432	0.3
53.03948	0.9
53.66636	0.3
54.45773	0.3
55.01865	0.3
55.05504	1.3
57.03433	1.7
57.07061	0.3
61.02927	5.3
67.05505	4.1
69.03431	2.9
69.07064	1.2
69.26530	2.8
70.06020	0.3
71.01366	0.7
73.02923	3.7
74.81087	0.3
79.05062	0.4
79.05497	3.6
81.03420	4.3
81.07057	4.5
82.90646	0.3
83.08625	1.7
85.02901	5.1
85.06524	0.3
91.03955	3.0
91.05485	2.6
93.07043	3.5
95.04977	1.2
95.08613	3.7
97.02891	4.3
99.04458	0.8
101.02357	2.0
105.07018	1.8
107.08601	2.3
109.02914	0.9
109.10176	1.3
111.08071	0.7
119.08585	1.9
121.10164	2.2
123.11719	0.3
127.03932	2.1
129.07019	0.5
131.08583	0.9
133.10178	1.0
135.11694	1.0
145.04994	0.4
145.10161	0.5
147.11723	1.2
157.10156	0.6
161.13237	0.4
175.11244	0.9
184.07516	0.4
185.04250	0.6
193.12254	2.1
202.85406	0.4
203.05394	0.5
211.13400	1.5
219.58627	0.3
221.11781	0.3
243.08418	2.5
248.32364	0.3
249.11003	0.4
251.12602	5.1
285.17126	0.3
307.15244	0.9
335.25870	0.3
355.08685	0.3
384.96942	0.3
393.74203	0.3
469.20395	8.1
519.29370	5.1
585.37811	0.4
747.42859	100.0
748.43127	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02134	0.3
53.03934	0.6
55.01872	0.4
55.05502	1.1
55.43034	0.3
57.03450	1.4
61.02932	5.4
67.05173	0.4
67.05512	4.5
69.03432	4.0
69.07066	0.9
69.27267	0.4
69.27673	2.1
71.01383	0.5
71.04997	0.8
73.02917	3.7
79.05493	3.7
81.03431	3.4
81.07067	3.9
82.75692	0.3
83.01354	0.3
83.08625	1.1
85.02906	5.8
87.04468	0.6
89.06039	0.5
91.03960	3.2
91.05479	2.7
93.07044	3.8
95.04967	0.8
95.08614	3.3
97.02893	5.1
97.06522	0.3
97.10181	0.3
99.04490	0.6
101.02375	1.9
104.81490	0.3
105.07035	1.2
107.08590	1.6
109.02907	0.5
109.06542	0.3
109.10184	1.8
111.08096	0.5
117.07078	0.6
119.08598	1.5
121.10187	1.7
123.11727	0.4
127.03920	1.8
129.07141	0.4
131.08595	1.0
131.51463	0.3
133.10182	0.6
135.11748	0.8
135.19041	0.3
140.90099	0.3
145.04980	0.4
145.10187	0.5
147.11713	0.9
149.13383	0.3
157.10179	0.6
175.11214	0.5
185.04251	0.8
193.12311	1.3
203.05388	0.5
211.13388	0.9
235.55569	0.4
243.08417	2.8
249.10803	0.3
251.12567	4.8
258.57565	0.3
307.15378	0.5
315.05771	0.3
335.26004	0.7
379.80606	0.3
469.20453	4.8
519.29376	8.1
520.29852	0.4
528.99658	0.4
585.38055	0.4
747.42865	100.0
748.42871	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	747.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
53.60040	0.2
55.01875	0.5
55.05513	1.1
57.03441	2.4
57.07093	0.2
61.02931	6.0
65.03938	0.2
67.05506	4.8
69.03433	3.4
69.07074	1.3
69.71683	1.0
70.33482	0.2
71.01363	0.6
71.05005	0.7
73.02922	4.3
79.05502	3.4
81.03419	2.7
81.07061	4.9
83.01375	0.2
83.08623	0.8
85.02910	6.4
87.04491	0.3
91.03964	3.4
91.05481	2.9
93.07044	3.6
95.04984	0.7
95.08609	3.4
97.02896	5.6
97.06553	0.6
97.10181	0.2
99.01968	0.2
99.04452	1.0
101.02406	1.9
103.03941	0.3
105.04604	0.2
105.07030	1.5
107.05002	0.3
107.08595	2.0
109.02901	1.0
109.06517	0.2
109.10175	1.4
111.04498	0.2
111.08105	0.4
115.03932	0.4
117.05527	0.2
117.07028	0.5
119.08590	1.6
121.10146	1.8
123.11728	0.6
127.03941	1.9
129.07030	0.2
131.08580	1.2
133.10114	1.1
135.11688	0.9
145.04997	0.3
145.10211	0.5
147.11699	0.8
149.13261	0.4
157.10175	0.5
159.11714	0.2
161.13249	0.2
173.13332	0.4
175.11215	0.5
176.13649	0.2
185.04256	0.7
193.12341	0.6
203.05377	0.5
211.13297	0.2
231.94037	0.2
243.08461	1.8
251.12581	1.3
259.07993	0.2
259.20886	0.2
261.22232	0.2
307.15079	0.4
335.25989	0.7
336.98309	0.1
337.27167	0.2
469.20471	4.1
469.27090	0.2
519.29340	7.4
747.42914	100.0
748.43176	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43376	0.2
53.03965	0.8
55.01873	0.3
55.05510	1.3
57.03440	2.0
58.48273	0.2
61.02927	5.7
62.65417	0.2
65.03942	0.2
67.05507	5.1
69.03435	3.6
69.07071	1.6
71.01354	0.5
71.04998	0.6
71.12083	0.1
73.02919	4.2
79.05493	3.3
81.03430	1.7
81.07059	5.0
83.04990	0.5
83.08625	0.8
85.02908	5.4
85.06551	0.2
87.04478	0.6
91.03957	3.6
91.05489	2.3
93.07050	4.8
95.04974	0.3
95.08604	4.4
95.09172	0.3
97.02898	5.3
97.06522	0.5
99.04462	0.9
101.02383	1.9
103.03951	0.4
103.97440	0.2
105.07019	1.5
107.04951	0.3
107.08596	2.3
109.02881	0.9
109.06507	0.2
109.10143	1.5
109.12478	0.2
111.04518	0.3
111.08073	0.4
115.03943	0.6
117.07024	0.6
119.08564	1.5
121.10152	2.0
123.11694	0.5
127.03922	1.3
131.08597	0.7
133.10173	0.8
135.11696	2.6
138.92599	0.2
145.05029	0.2
145.10109	1.5
147.11742	0.4
149.13286	0.4
159.11717	0.4
161.13297	0.2
163.11201	2.0
173.13379	0.3
181.12227	0.3
184.07368	0.8
185.04211	0.5
203.05342	0.4
219.09917	0.5
227.12801	1.3
229.43542	0.2
243.08400	2.4
249.10991	12.9
261.22260	0.3
287.18539	0.2
305.13544	1.1
335.25836	0.8
336.26416	0.3
467.18936	5.5
467.25351	0.3
504.38190	0.2
519.29340	9.6
547.39215	0.3
583.36157	0.4
636.12073	0.2
745.41309	100.0
746.41718	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	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.8
55.01869	1.8
55.05512	13.1
57.03442	7.1
57.07080	2.0
59.04998	2.5
61.02933	3.3
65.03928	2.9
66.65555	0.6
67.05506	86.1
68.05816	0.8
69.03421	2.6
69.07069	12.0
70.84631	1.2
71.05000	19.4
73.02917	1.1
73.18861	0.6
77.03959	0.8
79.05497	28.1
81.03415	3.5
81.07059	38.0
83.04990	3.5
83.08619	7.4
85.02900	3.6
85.06539	3.9
87.04476	0.9
91.03987	1.3
91.05482	20.5
93.07048	39.1
95.04970	3.5
95.08609	32.7
97.02915	1.4
97.06521	4.8
97.10173	3.5
99.08096	2.0
105.04516	0.7
105.07030	11.4
107.04955	1.0
107.08596	21.0
107.09303	1.2
109.06519	1.7
109.10160	58.5
110.10519	0.7
111.08079	3.5
112.34515	0.6
117.07015	4.4
119.08589	15.5
121.10143	17.7
123.11740	2.6
125.09636	1.5
129.07027	0.8
131.08594	6.9
133.10124	6.0
135.08040	0.8
135.11694	15.7
137.09612	8.9
137.13310	0.7
139.11226	1.4
143.08560	1.4
145.10117	7.4
147.11696	4.1
149.13231	4.0
155.10658	2.8
159.11684	3.0
161.13228	2.8
163.11177	3.2
163.14816	1.1
165.12776	1.0
169.12160	0.7
171.11693	0.6
173.11760	6.6
173.13283	3.3
175.14864	1.4
180.29834	0.5
181.12279	1.5
185.13373	0.7
187.13347	1.0
187.14925	1.1
206.81102	0.6
211.13342	1.6
213.14810	1.2
213.93187	0.6
229.14433	0.9
243.15964	1.8
243.21193	0.9
255.15880	4.5
261.22144	3.0
267.16003	1.0
285.16971	1.8
287.18515	17.1
317.24860	1.2
333.24188	0.9
335.25790	27.5
337.27304	4.0
379.29901	1.5
397.30792	1.2
423.32681	0.8
471.34616	2.7
489.35773	100.0
490.36008	3.3
497.36301	0.8
503.37064	3.0
515.37317	12.6
529.38800	1.2
533.38519	0.8
547.39966	89.7
548.40314	2.2
604.57520	0.7
744.45270	1.7
745.41064	4.2
772.08740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01870	0.6
55.05514	1.3
56.03633	0.2
57.03439	1.2
61.02930	3.9
63.72085	0.2
65.03937	0.3
67.05506	4.5
69.03434	2.9
69.07064	0.9
69.29759	1.9
71.01338	0.4
71.05003	0.3
73.02555	0.3
73.02921	3.3
79.05495	3.4
81.03431	1.6
81.07056	4.1
83.04980	0.6
83.08617	0.8
85.02897	3.6
88.35368	0.2
91.03966	2.5
91.05465	1.5
93.07043	4.8
95.04964	0.7
95.08607	4.3
97.02895	3.8
97.06529	0.4
97.10146	0.2
99.04475	1.4
101.02393	1.5
103.03947	0.3
105.07014	1.0
107.04964	0.5
107.08585	2.9
109.02898	0.8
109.06533	0.2
109.10129	1.2
111.04450	0.3
115.03939	0.3
117.07021	0.6
119.08578	1.0
121.06483	0.3
121.10140	1.8
127.03910	1.1
131.08601	0.5
133.10138	0.8
135.08110	0.3
135.11699	3.7
145.04976	0.3
145.10126	1.7
145.89540	0.2
147.11697	0.4
149.13271	0.3
159.11655	0.3
161.13255	0.3
163.11185	4.1
181.12289	0.8
185.04243	0.9
203.05241	0.6
209.20294	0.2
219.09976	0.7
227.12801	3.7
231.25679	0.2
243.08406	2.4
249.10992	9.5
305.13614	2.6
335.25940	0.7
439.19598	0.3
467.18909	10.7
468.19489	0.2
519.29388	5.8
520.29694	0.2
548.39856	0.4
583.35913	0.4
585.68091	0.2
745.41302	100.0
746.41638	4.7
773.54327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01867	2.0
55.05265	1.4
55.05512	20.3
55.65539	0.9
56.05836	0.9
56.37586	0.8
57.03438	13.3
57.07073	1.9
61.02930	3.9
65.03932	2.1
67.05506	45.1
69.03429	3.5
69.07073	16.3
70.73854	1.4
70.74159	1.7
71.04993	4.5
71.08627	1.7
73.02898	1.2
79.05492	23.0
81.02921	1.2
81.03419	38.8
81.07058	43.8
83.04986	9.5
83.08621	22.8
85.02906	17.3
85.06544	2.6
91.03970	1.6
91.05483	24.3
91.76722	0.9
93.07041	22.5
95.04971	16.1
95.08613	28.5
97.02895	4.5
97.06527	4.9
97.10173	6.4
99.08085	2.0
105.07028	19.1
107.04963	3.4
107.08590	11.1
109.06522	2.2
109.10160	13.7
111.04442	1.2
111.08068	6.9
113.05983	1.3
117.07026	1.7
119.08580	15.2
120.01453	0.8
121.06471	1.0
121.10142	10.7
123.08041	1.3
123.11680	4.7
125.09612	2.1
129.06996	5.9
131.08551	8.4
133.06505	0.9
133.10118	12.2
135.11700	3.3
137.09628	2.0
137.13301	1.1
142.96907	0.8
145.10112	2.0
147.08035	1.8
147.11696	14.9
149.09613	4.3
149.13258	1.7
151.11194	1.9
157.10146	8.3
161.13313	2.6
163.11189	0.9
165.12790	1.8
173.11842	1.2
175.11177	11.6
175.14813	1.7
193.12238	26.0
199.68742	0.8
211.13295	46.4
249.18355	0.8
261.22116	1.3
263.23758	2.5
267.15933	13.1
285.16956	63.2
287.18359	1.2
335.25797	3.5
337.27371	60.2
338.27597	1.7
398.59970	0.9
434.42865	1.0
455.35007	1.2
489.35944	4.9
515.37274	1.3
529.38928	10.6
547.39960	100.0
548.40259	2.6
744.44995	2.7
745.41144	2.3
765.27527	1.0
772.38757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
54.96709	0.6
55.01861	2.2
55.05513	13.9
57.03442	9.0
57.07062	2.2
61.02911	2.9
63.84947	0.6
65.03938	2.0
66.04721	0.7
66.19048	0.6
66.62359	0.7
67.05508	38.4
69.03436	2.8
69.06729	1.1
69.07074	16.7
70.25790	0.6
70.38383	0.6
71.04978	2.7
73.02927	1.1
74.09716	0.7
74.41695	0.9
76.88675	0.7
79.05494	17.7
81.03423	28.7
81.07057	41.6
82.07386	0.7
83.04973	7.1
83.08620	17.3
85.02911	15.3
85.06560	1.6
85.10162	0.6
91.03946	1.6
91.05485	19.0
91.30870	0.7
92.02969	0.8
93.07048	17.2
95.04976	10.5
95.08608	26.0
97.02902	3.0
97.06532	2.7
97.10178	5.9
105.07030	11.6
107.04992	3.4
107.08601	8.3
108.66726	0.7
109.06513	3.3
109.10155	13.3
111.04465	1.6
111.08092	4.5
113.05993	1.5
117.07040	0.8
117.67222	0.6
119.08581	11.5
121.06564	0.9
121.10139	9.3
123.08112	1.8
123.11715	5.5
125.09675	1.5
127.04017	0.8
129.07005	5.9
131.08566	5.8
133.06544	1.3
133.10138	10.0
135.11678	3.3
137.09644	1.8
137.13240	1.3
142.07793	1.1
145.10112	1.4
147.08063	1.4
147.11703	8.6
149.09634	2.3
149.13280	1.0
151.11221	1.0
151.14847	0.9
157.10121	5.9
161.13295	2.4
163.11299	1.0
163.14865	0.8
165.12788	1.9
168.03113	0.7
173.11696	0.6
175.11163	7.3
175.14801	1.7
184.07335	1.6
193.12257	20.6
202.81630	0.7
211.13281	29.2
219.13795	0.7
235.61678	0.7
236.46927	0.7
242.63554	0.7
245.22711	2.1
263.23798	2.5
267.15955	12.1
267.18643	1.3
268.16266	0.9
285.16968	40.4
286.17459	1.1
335.25906	2.1
336.26129	1.3
337.27371	69.7
338.27896	0.9
465.35574	1.0
489.35480	3.4
529.31488	1.3
529.38904	15.3
547.39966	100.0
548.40076	3.7
744.45319	2.3
745.41382	6.3
762.96790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98261	1.2
69.03457	1.7
69.38577	4.7
69.39000	5.5
71.52922	1.3
76.56680	1.2
82.99854	2.3
85.02898	2.6
97.02883	1.4
101.00892	5.0
119.01939	8.8
119.11834	1.3
127.02436	1.8
127.03922	2.4
131.01932	3.9
133.63272	1.4
143.01923	16.7
145.03450	5.7
145.04942	2.4
155.01906	15.2
157.03442	4.3
161.02997	12.6
167.01920	8.1
169.03433	2.4
171.04994	2.3
173.03011	16.4
175.04526	2.2
176.94870	1.3
179.01942	3.6
185.02966	33.1
187.04498	2.0
197.00705	2.3
197.02953	9.9
203.03960	6.9
209.02850	1.6
214.30693	1.3
215.03973	5.7
227.04039	8.6
239.01677	5.8
239.50394	1.2
245.05093	100.0
246.05331	3.0
257.02643	4.5
257.05075	6.9
263.06229	11.7
275.06131	11.9
289.98523	1.3
293.07327	3.2
305.07117	11.5
335.08139	3.0
365.09311	33.7
401.06967	36.4
425.11438	36.2
436.57748	1.6
437.11566	1.6
449.48492	1.5
450.42471	1.6
455.12369	5.6
485.13675	3.7
487.87222	1.3
527.14368	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05517	1.4
57.03436	1.6
61.02927	4.9
67.05505	4.9
69.03438	3.0
69.07079	1.1
69.77033	0.7
69.77428	0.6
71.01357	0.4
71.05009	0.5
73.02923	4.2
78.00787	0.3
79.05497	4.9
81.03426	1.3
81.07060	5.0
83.04996	0.7
83.08627	0.8
85.02911	6.1
91.03958	3.4
91.05486	3.3
93.07049	4.5
95.04986	1.1
95.08610	3.7
97.02894	4.1
99.04470	1.2
101.02393	1.5
103.03969	0.3
103.81902	0.3
105.07029	2.0
107.08601	2.3
109.02895	1.1
109.10130	1.4
115.03962	0.3
117.07034	0.5
119.08580	1.6
121.10132	1.4
123.08150	0.3
123.11750	0.5
126.00818	0.3
127.03921	1.8
129.07013	0.6
131.08589	0.8
133.10153	1.0
135.11728	0.7
143.08539	0.4
145.05003	0.4
145.10124	0.3
147.11674	1.7
149.13257	0.3
159.11754	0.3
161.13268	0.7
168.71970	0.3
171.11729	1.0
185.04286	0.6
203.05338	0.5
207.13805	0.4
238.67389	0.3
243.08394	2.3
247.13124	0.9
303.15952	0.3
335.26108	0.5
465.21051	6.5
519.29333	5.5
732.14313	0.3
743.43433	100.0
744.43787	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	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01865	4.6
55.05515	20.7
57.03449	9.4
57.07074	2.8
61.02919	3.2
65.03952	1.6
67.05508	51.1
69.03443	2.9
69.07066	22.2
69.48594	1.3
69.51239	3.1
69.51647	6.9
70.16594	1.2
71.04987	2.4
73.02909	1.3
74.01884	1.3
79.05070	2.4
79.05498	35.6
79.15656	1.1
81.03413	7.0
81.07058	59.5
83.04961	4.2
83.08620	14.5
85.02894	3.7
85.06506	2.0
85.61802	1.3
91.05479	18.2
93.07048	43.2
93.07635	2.6
94.71029	1.3
95.04951	8.1
95.08611	58.3
97.02876	4.3
97.06518	5.7
97.10159	4.9
99.04436	4.7
105.07040	16.1
107.04954	5.4
107.08590	29.6
109.06532	2.7
109.10160	14.8
111.04424	2.0
111.08086	2.0
117.07017	8.2
119.08592	14.8
121.06516	5.2
121.10146	19.5
123.08082	2.4
123.11732	6.5
125.05960	1.4
125.09621	1.6
129.07042	2.4
131.08553	5.2
133.10135	10.5
135.08032	2.4
135.11696	42.1
137.13300	1.8
139.07547	1.6
145.10135	21.6
147.11678	7.7
149.13257	2.2
157.10143	2.4
159.11708	1.5
161.13246	2.3
163.11192	46.4
163.14857	2.3
164.34061	1.6
165.12793	1.7
175.11223	3.4
175.14841	2.0
181.12297	6.7
181.13660	1.6
186.84174	1.3
193.12216	4.5
211.13293	1.8
227.12785	50.2
261.22128	4.3
267.15942	7.7
283.15408	76.7
284.15704	1.5
285.16983	16.5
335.25787	27.6
337.27380	70.6
338.27698	2.5
503.37485	2.2
527.37250	5.6
545.38379	100.0
546.38751	2.7
559.44379	1.4
563.39636	1.7
742.44104	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01865	1.4
55.05515	17.3
57.03444	10.1
57.07060	2.7
61.02928	2.2
67.05506	43.8
69.03436	2.7
69.07072	18.3
71.04970	3.0
79.05492	23.9
81.03408	5.6
81.06590	2.6
81.07060	50.4
83.04970	5.5
83.08620	16.5
85.02888	3.7
85.06531	3.6
90.05567	1.4
91.05476	16.1
93.07045	34.7
95.04958	5.7
95.08609	44.2
97.02913	3.5
97.06512	3.7
97.10176	3.9
98.21471	2.3
99.04445	3.4
105.07039	12.9
107.04934	4.6
107.08595	26.5
109.06525	2.7
109.10153	15.4
111.08112	1.2
117.07024	6.0
119.08588	10.0
121.06493	3.5
121.10150	14.2
123.11671	4.6
125.05963	1.6
125.09695	1.6
131.08598	1.8
133.10138	9.0
135.08038	1.7
135.11691	30.1
135.12720	2.1
137.13312	1.6
145.10130	19.0
147.11711	4.6
149.09521	1.3
149.13301	2.3
152.56267	1.4
163.11197	33.2
181.12248	3.6
211.13393	2.1
220.59369	1.5
227.12790	38.9
229.12926	1.5
261.21982	2.4
263.23749	2.3
267.15869	3.0
283.15414	43.1
285.16940	11.6
335.25787	12.9
337.27374	93.4
338.27899	2.5
446.25742	1.4
496.63290	1.5
527.37201	1.7
545.38403	100.0
546.38385	3.9
722.47681	1.5
742.44116	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01868	2.4
55.05512	23.5
57.03437	17.3
57.07072	1.5
59.05028	0.9
61.02917	4.1
61.16451	0.8
61.26617	0.8
65.03934	3.6
67.05507	51.2
69.03436	4.1
69.07069	12.4
69.26877	7.5
71.04990	4.5
73.02919	1.2
79.05495	41.7
81.03421	54.5
81.07056	50.5
83.04981	13.7
83.08623	22.8
85.02908	26.0
85.06534	3.4
85.93532	1.0
88.79570	0.9
91.03934	1.1
91.05484	38.1
93.07045	42.1
95.04970	22.8
95.08611	34.6
97.02898	4.5
97.06532	5.8
97.10167	5.2
99.08105	2.7
105.04543	0.9
105.07034	25.9
107.04967	6.0
107.08591	18.9
109.06522	5.3
109.10161	13.3
111.04427	2.1
111.08085	10.4
113.06020	2.2
115.05460	1.6
117.06999	4.2
119.08581	23.9
121.06479	1.4
121.10140	19.5
123.08076	2.9
123.11683	4.3
125.09658	2.2
125.93096	0.9
129.07019	10.8
131.08577	15.2
133.06491	3.0
133.10139	15.2
135.11688	9.6
137.09621	2.1
142.07797	2.8
145.10135	5.8
147.08051	3.3
147.11682	15.6
149.09619	5.4
149.13272	4.2
151.11183	1.5
157.10120	14.0
159.11716	3.8
161.13300	3.1
163.11253	1.4
163.14862	2.6
165.12770	3.7
173.13287	2.8
175.11189	13.3
175.14693	1.2
177.16383	1.0
185.68701	1.1
187.14932	1.2
193.12250	44.2
211.13286	68.7
212.13741	1.2
227.12819	1.8
243.21053	3.4
261.22147	9.1
262.91095	0.8
265.66357	1.0
267.15909	14.7
285.16965	78.5
301.07495	1.0
317.24893	1.6
328.32571	0.9
335.25800	75.3
336.25995	1.8
412.24542	1.0
435.32715	2.2
453.33640	1.9
458.12854	0.9
471.34723	2.0
527.37286	14.2
545.38373	100.0
546.38690	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05033	1.0
53.03938	4.6
55.01841	1.6
55.05273	1.1
55.05515	15.8
57.03442	13.8
57.48759	1.0
59.05001	1.1
61.02918	3.6
65.03937	1.6
65.09512	1.0
67.05509	45.6
69.03413	3.1
69.07076	13.3
70.57170	1.9
71.04986	4.5
79.05497	36.7
80.05853	0.9
81.03426	39.0
81.07062	45.5
83.04983	12.5
83.08625	15.9
85.02912	20.2
85.06553	2.9
91.03935	1.7
91.05485	32.4
93.07048	38.8
94.83133	0.9
95.04971	17.4
95.08610	32.9
97.02884	3.4
97.06525	2.8
97.10178	5.2
99.08115	1.3
103.05478	1.2
105.07030	24.4
107.04949	5.9
107.08598	18.0
109.06486	4.2
109.10155	11.3
111.04433	1.2
111.08077	7.4
113.05959	1.2
113.77585	1.3
115.05460	1.4
117.07021	4.1
119.08582	19.5
121.10147	17.5
123.08062	3.1
123.11665	2.5
125.09620	1.4
129.07019	8.4
130.07822	1.2
130.85112	0.9
131.08575	12.3
133.06526	1.5
133.10144	12.2
135.11705	8.8
137.09579	2.2
137.13220	1.1
142.07751	2.3
143.08667	1.4
145.10123	5.6
147.11702	14.4
149.09604	4.6
149.13264	4.4
157.10155	8.1
159.11708	4.2
161.13228	3.8
163.14732	1.6
165.12730	3.3
173.13246	2.1
175.11194	10.2
175.14919	1.4
187.14880	1.3
193.12257	27.7
211.13295	41.8
227.16425	1.2
233.22650	1.0
243.21118	2.7
261.22217	10.4
267.15933	11.9
285.16971	51.0
303.58127	1.1
317.24640	2.9
335.25815	81.9
336.26065	2.1
435.32764	1.9
452.07166	1.0
453.33972	1.7
527.37421	12.0
545.38403	100.0
546.38544	3.3
698.13287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.4
55.01877	8.6
55.05511	37.3
57.03431	17.3
57.71143	4.2
65.03945	4.6
67.05505	72.2
69.03422	20.0
69.07064	27.2
70.00847	4.2
71.04991	13.4
71.56919	6.7
74.01719	3.8
79.05494	58.9
81.02986	7.2
81.03423	90.4
81.07061	100.0
83.04993	26.2
83.08623	31.2
85.02914	26.0
85.06540	7.7
87.42607	4.9
91.05481	70.8
93.07046	55.7
95.04967	35.4
95.08611	37.6
97.02882	18.9
97.06554	9.1
97.10160	6.9
99.04482	6.1
99.08151	6.3
105.07038	57.6
107.04961	17.0
107.08609	36.3
109.02869	11.6
109.06512	8.9
109.10141	22.2
111.04449	10.5
111.08092	12.2
117.07014	17.5
119.08596	41.2
120.32704	4.5
121.06523	7.6
121.10167	13.9
123.08050	9.7
123.11717	11.3
127.03899	10.7
129.07050	14.7
131.08553	31.6
133.06551	6.6
133.10139	38.4
135.08032	8.8
135.11658	7.4
137.09576	9.6
139.03966	4.4
143.08585	7.1
145.10133	20.7
147.11667	25.2
149.09630	10.4
149.13240	8.6
151.11166	7.1
155.08556	7.0
157.10138	16.6
159.11731	13.0
161.09633	5.0
161.13237	5.0
163.11157	5.1
165.12840	6.5
173.04468	16.0
173.13210	8.4
175.11165	15.3
183.11584	5.7
193.12250	42.2
195.13821	8.2
211.13266	41.9
211.14728	4.2
229.14326	4.4
239.36284	4.8
253.14471	6.0
257.18982	5.9
267.15997	26.3
269.17545	9.1
275.20047	33.4
285.10184	6.0
285.16977	40.8
298.98639	5.4
349.23834	25.6
395.20761	4.9
420.76556	5.6
429.21133	7.2
461.29102	21.6
479.30118	53.5
541.35425	22.9
559.36298	28.4
577.37323	7.4
605.32648	6.5
623.34320	33.6
703.40753	7.2
739.36505	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.3
55.01844	2.5
55.05513	12.3
55.05763	0.7
57.03442	8.3
57.07059	1.4
57.86128	0.5
61.02889	1.4
65.03909	1.8
67.05505	38.4
69.03408	0.9
69.07065	9.8
71.04982	2.8
73.02891	1.7
79.05492	37.2
81.03385	1.7
81.07056	40.6
83.04993	3.1
83.08614	9.6
85.02865	1.2
85.06503	1.1
91.05484	15.7
93.07043	50.5
95.04968	5.1
95.08606	49.2
97.02891	3.8
97.06535	4.4
97.10148	2.2
98.20708	1.4
99.04444	2.9
103.05491	1.2
105.04492	1.2
105.07034	12.5
107.04943	6.6
107.08595	34.8
109.06487	2.4
109.10171	10.3
111.04430	0.9
111.08044	1.5
114.56257	0.6
115.05389	0.6
117.06252	0.7
117.07018	9.4
119.07833	1.1
119.08584	15.7
121.06516	6.3
121.10143	20.7
123.08039	0.7
123.11665	2.6
123.96586	0.5
125.05950	2.5
125.09500	0.6
129.06976	0.9
130.07732	1.7
131.08559	4.9
133.09290	0.6
133.10143	7.1
135.08017	2.1
135.11693	52.6
137.13225	0.8
139.07541	1.3
143.08519	1.1
145.10121	28.0
147.11707	3.5
149.13252	3.9
153.12686	0.9
159.11603	2.8
161.13234	1.9
163.11182	58.3
163.14784	1.7
164.11513	0.7
173.13242	1.9
175.14812	0.6
181.12236	9.1
187.14737	0.9
201.16373	1.1
209.11739	0.9
227.12781	75.1
228.13091	0.9
243.21255	2.8
261.22119	8.2
283.15396	98.2
284.15753	1.7
317.24741	2.5
335.25800	100.0
336.26065	2.4
543.36823	97.1
544.37256	2.7
561.38000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01866	2.3
55.05515	11.7
56.83786	0.3
57.03440	8.7
57.07076	1.4
61.02930	0.7
65.03941	1.8
67.05505	37.3
68.05794	0.3
68.19115	0.3
69.03426	1.0
69.07069	10.7
71.04995	2.0
71.08649	0.4
72.64219	0.3
73.02921	1.0
77.03918	0.6
79.05493	31.6
81.03423	1.3
81.07055	38.4
82.07390	0.4
83.04984	2.6
83.08149	0.4
83.08624	7.6
85.02905	1.2
85.06528	1.0
91.05482	13.8
93.07045	42.6
94.07373	0.4
95.04973	5.1
95.08607	45.6
96.08944	0.5
97.02889	3.0
97.06523	3.5
97.10167	1.3
98.21554	0.6
99.04458	2.4
99.08079	0.5
103.05453	0.7
105.04543	0.8
105.07034	9.0
107.04965	5.2
107.08598	29.1
109.06528	1.8
109.10162	10.0
111.04439	0.9
111.08060	1.4
113.05996	0.6
113.09617	0.5
115.05457	0.4
117.07016	7.8
119.08583	10.6
121.06519	4.9
121.10145	17.3
123.08058	1.1
123.11700	2.8
125.06007	1.9
125.09615	0.5
129.07050	0.4
130.07797	1.5
131.08582	3.9
133.10146	5.8
135.08098	1.8
135.11694	38.9
136.12003	0.3
137.09607	0.5
137.13287	0.9
139.07535	1.4
143.08530	1.0
145.10126	22.6
146.10522	0.4
147.11705	2.2
149.09601	0.6
149.13264	3.0
153.12756	0.6
155.08575	0.3
159.11681	2.4
161.13223	1.9
163.11180	40.4
163.14828	1.2
164.11473	0.4
173.09608	0.6
173.13226	1.6
175.14861	0.6
177.16444	0.4
177.20541	0.3
181.12238	6.7
184.07385	0.6
187.14818	0.8
209.11813	1.1
227.12784	49.1
228.13116	0.5
236.44698	0.3
243.21144	1.5
261.22116	6.4
283.15402	52.6
284.15781	0.9
317.24838	2.3
335.25797	100.0
336.26202	3.2
465.16803	0.4
527.58734	0.4
543.36829	78.6
544.37170	3.0
561.38257	0.3
649.77490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01881	1.3
55.05513	10.2
57.03441	6.1
57.07074	1.5
57.20822	0.7
59.58591	0.7
60.86208	0.7
61.02924	0.8
61.48975	0.7
65.03935	2.4
67.05505	42.9
69.03431	0.8
69.07068	8.5
71.04995	1.7
73.06575	1.7
79.05494	46.9
81.03419	4.3
81.07059	35.3
81.48689	0.7
83.04994	6.9
83.08607	5.4
85.02897	1.6
85.06565	1.6
91.05479	32.2
91.37498	0.7
93.07043	44.3
95.04973	9.1
95.08608	26.3
97.02895	1.3
97.06512	2.8
97.10165	2.6
98.20745	1.9
105.04544	1.3
105.07039	20.2
107.04930	3.9
107.08602	16.7
109.06524	3.2
109.10154	7.7
111.08106	0.8
117.07026	7.0
119.08589	13.7
121.06467	1.2
121.10155	10.5
123.08090	2.0
123.11716	2.3
127.07590	1.1
128.06245	1.2
129.07013	8.0
131.08586	5.0
133.10130	6.9
135.11719	5.9
143.08574	4.4
145.10101	6.4
147.08098	1.4
147.11691	19.8
149.13257	2.4
159.11707	2.1
161.09630	1.8
161.13239	6.7
171.11713	12.4
173.13286	1.8
175.14934	0.9
189.12747	4.6
189.60948	0.8
207.13797	15.1
225.14864	1.0
247.16837	0.9
261.22070	3.5
279.15976	1.9
281.17487	44.4
282.18030	0.9
317.24802	1.6
335.25809	42.6
336.26324	1.4
503.41016	0.9
541.38910	100.0
542.39398	3.5
559.40015	2.0
686.06104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70877	0.2
55.05499	0.2
56.05030	0.6
57.03443	0.2
57.07072	0.7
58.06606	0.3
60.08162	5.7
66.81698	0.2
67.05500	0.5
71.07375	3.4
71.07756	0.3
71.08614	0.5
81.03401	1.1
81.07072	0.8
83.08594	0.3
85.10159	0.3
86.09707	27.7
86.71906	0.2
91.05468	0.3
93.07038	0.4
95.05007	0.3
95.08598	0.5
98.98466	2.7
104.10747	1.9
105.07020	0.2
109.10177	0.3
117.36897	0.2
119.87779	0.2
125.00005	19.2
131.08585	0.2
132.66119	0.2
184.07341	100.0
185.07661	0.4
193.12334	0.3
199.04413	0.2
202.46611	0.2
267.15863	1.5
279.17999	0.2
313.27377	1.5
346.77328	0.2
360.82077	0.2
505.38693	1.2
591.92706	0.2
688.45508	10.4
689.45398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.1
55.01876	25.5
55.02103	4.8
55.05513	44.4
57.03442	20.5
60.82799	2.9
61.02925	15.5
65.03947	5.4
67.05509	91.2
69.03440	23.3
69.07075	31.4
70.37022	4.0
71.05011	17.6
71.15064	5.4
73.02919	5.7
79.05501	88.5
81.03426	100.0
81.07066	94.0
83.04989	27.0
83.08625	44.2
85.02911	36.0
85.06535	7.0
91.03954	5.4
91.05485	91.5
93.07050	64.8
95.04971	42.2
95.08616	40.5
97.02895	20.5
97.06547	34.8
97.10201	18.5
99.08107	6.3
105.07039	77.3
105.78309	3.2
107.04988	26.8
107.08596	46.0
109.02890	8.3
109.06544	15.5
109.10137	21.6
109.12632	3.9
111.04438	8.8
111.08081	16.3
115.05455	4.8
117.07043	18.6
119.08589	58.7
121.06503	9.5
121.10143	28.0
123.08077	11.5
123.11692	8.8
125.09602	15.6
127.03904	10.5
129.07001	20.7
131.08577	41.2
133.06509	7.9
133.10129	41.4
135.08078	8.9
135.11699	9.4
137.09619	9.7
141.06976	4.2
142.07771	6.5
143.08553	14.4
145.10153	32.1
147.08054	8.0
147.11694	42.2
149.09642	30.6
149.13301	7.1
151.11211	7.0
155.08482	6.5
155.99577	3.3
157.10133	26.3
159.11731	15.9
161.13196	7.7
163.11208	13.6
165.09100	4.4
165.12811	4.7
167.08557	3.6
169.10159	7.6
171.11682	8.5
173.04419	5.0
173.13225	11.1
175.11201	19.8
177.12778	6.0
179.14299	4.5
183.11760	4.5
185.13242	8.1
187.11090	3.6
189.11205	9.1
193.10634	5.2
193.12256	50.0
195.11671	3.2
195.13774	4.7
197.13298	3.9
211.13301	76.0
227.12761	39.2
239.17822	3.8
257.19028	9.3
266.28937	3.5
267.15918	38.9
269.17490	6.3
269.45874	3.6
275.20065	67.9
285.10373	5.2
285.17038	61.8
291.19495	4.2
331.22766	5.0
349.23764	43.1
366.27292	3.8
367.24948	5.6
413.21201	4.0
429.21085	8.6
437.25131	7.8
439.26813	3.8
461.28989	13.8
463.30664	8.3
467.31335	4.1
479.30182	27.1
541.35126	40.4
559.36304	65.0
577.37354	26.4
623.33984	15.4
703.40369	5.9
721.40472	4.7
739.37561	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	733.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
57.03431	2.8
61.02928	4.9
67.05508	5.7
69.03435	3.6
69.07082	2.6
69.61660	5.4
73.02921	3.3
77.63283	0.9
78.46043	0.9
79.05485	3.2
81.03418	2.3
81.07049	6.6
83.08648	1.1
85.02909	3.3
86.09710	2.3
91.03952	2.6
91.05493	3.6
93.07038	5.0
95.04983	0.8
95.08612	5.1
97.02891	3.4
101.02380	2.3
105.07034	2.6
107.08620	1.8
109.10177	3.7
111.86600	0.8
119.08568	1.1
121.10160	1.9
124.99980	0.9
127.03898	0.9
133.10133	2.8
135.11728	1.0
151.11108	1.1
170.95601	0.8
184.07349	7.3
195.00336	2.0
203.05203	1.0
236.25420	0.8
237.11165	1.2
243.08385	2.1
255.10777	1.2
335.25763	1.2
374.13303	0.9
455.18765	4.3
519.29175	8.0
697.36194	1.0
733.41241	100.0
734.41858	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	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.1
54.23101	3.5
54.63083	3.7
55.01872	18.5
55.05515	56.8
57.03425	17.8
61.02928	6.9
65.03912	4.5
67.05512	76.8
69.03435	25.9
69.07079	35.9
70.06588	5.8
70.38308	7.3
71.04983	10.5
73.02906	6.0
79.05067	6.0
79.05500	75.4
81.03423	100.0
81.07064	71.9
83.04982	29.3
83.08633	30.6
85.02914	27.3
85.06509	3.9
86.09695	4.8
91.04960	6.2
91.05485	62.4
93.07047	49.5
93.72313	3.8
95.04976	42.7
95.08612	31.0
97.02900	24.5
97.06525	11.5
97.10172	32.0
99.04455	5.0
99.08098	3.9
103.05399	4.3
105.07034	53.5
107.04967	19.7
107.08617	35.1
109.02880	17.4
109.06509	10.4
109.10167	24.6
111.04443	11.3
111.08065	13.7
117.07021	22.6
119.08603	40.3
121.06509	13.4
121.10146	24.0
123.08051	13.5
125.09641	26.0
127.03938	10.8
129.07014	21.8
131.08592	26.6
133.06474	9.2
133.10117	21.3
135.08011	12.7
135.11696	8.8
137.09621	7.1
142.07794	4.7
143.08543	10.4
145.10115	21.2
147.08057	17.9
147.11729	24.5
149.09593	14.9
153.09058	7.4
153.12764	4.9
155.08554	6.6
157.10152	17.7
159.08020	7.1
159.11656	10.8
161.09605	11.3
163.11150	12.6
165.12770	5.9
169.10022	6.0
171.11725	4.9
175.11192	17.7
181.12218	7.5
189.11234	22.3
189.12701	5.3
191.10730	4.3
193.12247	31.4
199.11223	4.4
203.20602	3.7
211.13338	44.7
223.13281	13.2
227.12755	29.5
249.14868	6.1
267.15866	34.1
271.40280	4.1
273.18524	30.5
275.20016	11.4
283.15399	11.1
285.16943	21.1
291.19534	90.9
347.22202	8.8
365.23218	36.3
429.21204	16.0
477.28189	10.0
526.49457	4.3
539.33417	5.7
557.34851	52.6
558.36011	4.7
575.35663	45.8
621.32764	4.7
639.33234	7.1
716.81372	4.5
719.40027	39.2
737.39868	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01871	2.9
55.05516	16.6
56.96592	1.4
57.03443	15.0
61.02919	1.8
63.29696	1.3
64.29887	1.1
65.03935	2.2
67.05507	32.3
69.03443	6.7
69.07073	10.1
69.55497	8.2
71.05012	8.6
79.05499	32.5
79.25360	1.0
81.03423	100.0
81.07064	36.4
83.04985	20.4
83.08624	32.0
85.02910	28.3
85.06536	1.4
87.04502	1.3
91.05487	50.4
93.07047	29.7
95.04977	38.9
95.08617	16.6
97.02895	9.1
97.06539	5.2
97.10184	5.3
99.04443	1.6
99.08113	2.3
103.05461	2.1
104.29105	1.1
105.03401	1.4
105.07037	32.6
107.04961	13.8
107.08595	11.3
109.02869	3.9
109.06537	8.1
109.10167	7.5
111.04443	6.0
111.08084	14.7
111.11710	1.1
113.05970	2.9
115.05460	3.2
117.07030	4.4
119.08586	32.1
121.06509	3.5
121.10159	14.3
121.10952	1.9
123.04469	2.0
123.08088	3.8
123.11732	3.4
125.09642	3.3
127.03915	3.4
127.07545	1.2
129.07021	16.3
131.04944	1.9
131.08583	18.3
133.06506	5.9
133.10141	20.3
135.08066	2.4
135.11732	1.9
137.05968	1.5
137.09639	2.6
141.07042	1.2
142.07796	4.0
142.58365	1.3
143.08542	1.4
145.06419	1.3
145.10115	3.8
147.04404	2.1
147.08064	4.2
147.11705	27.1
149.09650	10.5
155.08597	1.3
157.10143	22.5
161.05989	1.3
163.11224	3.6
165.12773	5.7
169.10178	1.5
170.77422	1.4
172.36113	1.2
175.11208	21.0
189.11313	1.2
192.66734	1.3
193.08556	2.1
193.12267	54.0
211.13297	62.9
227.12807	3.5
229.14334	1.2
249.14857	3.1
267.15942	86.6
268.16235	1.5
271.06052	2.4
273.14941	2.0
274.86581	1.1
285.10181	3.3
285.16980	41.7
301.14359	1.5
355.17581	1.8
357.15894	1.4
367.22714	5.1
385.23749	5.0
403.24860	2.8
411.20239	2.7
429.21210	11.7
433.25861	5.8
441.26291	4.3
459.27451	65.9
460.27789	1.9
477.28519	51.9
478.28156	1.4
491.25391	1.3
495.29575	73.3
496.29684	3.2
509.71359	1.3
603.31604	2.0
621.32941	7.8
639.33844	30.0
640.34473	1.4
738.39667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25509	0.2
55.05489	0.2
56.05030	0.6
58.06610	0.4
59.07399	0.3
60.08167	5.9
67.05494	0.7
71.07375	3.4
71.54619	0.3
78.98258	0.2
79.05489	0.3
79.08453	0.2
81.07042	0.7
83.04971	0.2
86.09705	29.9
91.05482	0.5
93.07050	0.4
95.08603	0.4
98.98469	3.3
104.10738	2.4
105.07055	0.3
107.08571	0.4
125.00005	20.5
135.98102	0.2
138.02078	0.2
156.31427	0.2
184.07339	100.0
185.07780	0.8
421.94766	0.3
468.23831	0.4
487.85361	0.2
598.79059	0.3
730.46613	6.8
731.47363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05508	1.4
57.03439	1.2
57.07066	0.3
61.02932	4.3
67.05505	5.0
69.03439	2.8
69.07067	1.3
71.01332	0.4
71.05005	0.7
71.55439	0.4
72.34347	0.3
73.02918	3.7
79.05499	3.0
80.80456	0.4
81.03435	1.1
81.07061	5.3
83.04996	0.6
83.08634	0.8
85.02914	3.9
87.04505	0.5
91.03963	3.0
91.05489	2.1
93.07056	3.6
95.08610	3.3
97.02897	4.8
97.06566	0.6
97.10172	0.3
99.04485	0.7
101.02397	1.4
105.07045	1.0
107.08612	2.5
109.02900	0.6
109.10187	1.3
117.07031	0.4
119.08601	0.6
121.10110	1.6
127.03921	1.1
131.08629	0.5
133.10176	1.4
135.11737	1.2
149.13280	1.5
149.52837	0.3
159.11710	0.5
185.04269	0.6
186.51619	0.3
211.50949	0.4
234.54254	0.3
235.13113	0.9
243.08438	1.4
335.25909	0.6
337.68350	0.4
453.20996	4.0
519.29352	6.6
559.34021	0.4
570.12695	0.4
731.43414	100.0
732.43719	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	731.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23596	0.2
52.76841	0.2
53.03941	0.7
55.01857	0.4
55.05511	1.4
57.03434	1.8
57.07076	0.2
61.02925	5.5
63.65232	0.2
65.03935	0.4
66.70110	0.2
67.05506	5.8
67.40619	0.2
69.03432	3.2
69.07075	1.4
69.32313	0.3
69.32714	1.5
71.01352	0.5
71.04984	0.6
73.02916	4.1
79.05496	3.5
81.03423	1.3
81.07053	6.4
83.04987	0.3
83.08626	1.0
85.02908	5.1
85.06593	0.2
87.04453	0.4
91.03958	3.5
91.05479	2.3
93.07046	4.8
95.04966	0.5
95.08607	4.4
95.09174	0.4
97.02890	5.1
97.06530	0.6
97.10136	0.2
98.21609	0.3
99.04463	0.8
99.08109	0.2
101.02384	1.8
103.03960	0.4
105.07011	1.3
107.08592	2.7
109.02886	0.7
109.10149	1.4
111.08113	0.4
115.03945	0.3
117.07039	0.7
119.08577	0.9
121.10154	2.1
123.11730	0.4
127.03905	1.9
129.05429	0.3
131.08614	0.8
133.10101	0.9
133.66444	0.2
135.11688	1.0
145.04990	0.4
145.10147	0.5
147.11728	0.5
149.13232	1.3
159.11740	0.8
161.13319	0.3
173.13277	0.3
185.04254	0.8
195.13805	0.2
203.05319	0.4
235.13055	1.3
243.08382	1.9
261.22086	0.3
291.15784	0.3
335.25983	0.7
453.20966	4.4
477.12671	0.2
485.73654	0.2
519.29248	7.7
600.37122	0.2
731.43390	100.0
732.43750	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	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01865	4.5
55.05506	9.7
57.03428	6.1
57.07080	2.3
60.05611	1.6
61.58242	1.4
63.89353	1.1
65.03940	1.8
67.05504	39.1
69.03419	2.0
69.07076	7.8
71.04979	2.7
71.57683	1.8
79.05492	19.1
81.03420	4.0
81.07054	37.6
83.04969	5.1
83.08627	4.2
85.02913	2.1
85.06525	2.6
91.05479	29.9
93.07043	23.9
95.04964	6.6
95.08610	17.6
97.06567	1.5
97.10127	2.4
99.04456	2.4
105.07036	21.6
107.07883	1.7
107.08598	23.0
109.06481	2.7
109.10152	42.0
117.07012	3.9
119.08565	5.5
121.10139	7.6
123.11687	8.0
127.07531	2.3
131.08549	5.0
133.04314	1.3
133.10133	45.6
135.11688	4.8
143.08522	1.8
145.10149	3.2
147.11693	2.8
149.13298	2.7
151.11206	20.3
151.12398	2.3
157.10170	1.3
159.11674	1.9
161.09608	2.1
169.12170	3.9
173.13271	1.7
173.61465	1.4
184.31836	1.3
215.12904	2.4
243.21136	1.7
253.14349	100.0
254.14630	1.8
261.22189	12.2
271.15396	30.3
280.48444	1.4
335.22061	2.3
335.25790	33.8
457.33154	2.1
513.35541	10.0
531.36816	37.4
669.36578	1.8
728.46271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.3
53.04132	0.6
55.01843	1.6
55.05516	14.5
57.03441	12.0
57.06005	0.5
57.07057	1.2
61.02928	4.6
65.03944	2.8
67.05508	63.2
67.05846	2.1
69.03384	1.3
69.07069	18.5
71.04987	4.6
71.08611	1.2
73.02882	1.6
77.03899	0.7
79.05496	38.2
81.03376	2.1
81.07060	72.7
81.07748	1.8
82.07361	0.6
83.04987	3.6
83.08618	13.8
85.02907	3.3
85.06506	2.5
91.03919	1.5
91.05492	22.0
93.07047	53.4
95.04989	3.5
95.08613	36.5
97.02846	2.6
97.06535	5.2
97.10149	2.7
99.08073	1.2
100.01716	0.6
105.04509	1.2
105.06405	0.9
105.07033	11.3
106.59988	0.6
107.08602	30.1
109.06485	1.8
109.09496	0.8
109.10163	13.0
111.08101	2.9
113.09577	0.6
117.07032	8.0
119.08591	8.5
121.06456	1.5
121.10147	16.6
123.08002	0.8
123.11721	6.2
125.09586	0.7
131.07591	0.9
131.08560	10.7
133.10138	15.3
135.08035	1.3
135.10735	0.6
135.11700	12.6
137.13237	0.9
145.10139	3.8
147.11691	4.6
149.13269	13.6
151.11185	1.1
157.10081	1.4
159.11699	8.5
161.13213	2.4
163.14775	2.5
171.11649	1.3
173.13234	2.5
175.14806	0.8
177.12744	3.8
184.11427	0.6
187.14804	1.2
195.13817	7.7
201.16405	0.9
206.16400	0.6
213.14848	1.6
243.21144	2.3
261.22171	8.6
267.15707	0.6
269.17487	56.6
270.17587	1.0
317.24683	2.0
335.25803	98.4
336.26169	2.4
416.47971	0.7
437.34338	1.9
455.35379	1.2
511.37924	1.4
529.38904	100.0
530.39380	2.9
547.39856	2.5
726.44641	1.0
727.27997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99057	0.4
55.01867	0.4
55.05510	0.8
57.03436	1.2
59.05008	0.5
60.45539	0.3
61.02694	0.3
61.02931	3.7
64.84061	0.3
67.05515	2.3
68.63156	0.3
69.03429	2.4
69.07068	0.7
70.83067	0.8
71.04992	1.3
73.02924	2.8
79.05487	2.5
83.04997	0.8
83.08627	1.2
85.02911	5.3
91.03967	2.1
91.05489	3.7
93.07042	1.8
95.04978	1.8
95.08606	1.2
97.02901	3.8
97.06518	0.4
98.35857	0.3
99.04454	0.9
101.02371	1.8
103.03957	0.5
105.07051	2.4
107.04961	0.8
107.08603	1.4
109.02912	0.7
109.06518	0.8
109.10152	0.5
111.08087	0.8
119.08597	2.1
121.10155	1.1
125.37902	0.4
126.39626	0.3
127.03922	1.3
129.07013	0.8
131.08582	1.7
133.10155	1.5
137.00424	0.4
145.04991	0.5
147.11722	1.8
149.09595	1.6
157.10158	1.5
175.11244	1.5
185.04292	0.5
193.12251	2.4
193.79572	0.4
203.05434	0.4
209.65862	0.4
211.13339	1.0
225.14998	0.6
233.11537	0.6
243.08383	2.9
251.12593	1.1
267.15976	0.7
283.15173	4.1
339.17941	0.8
375.64850	0.4
382.36298	0.3
393.64377	0.4
469.20490	10.0
501.23111	11.7
567.31195	0.9
729.36646	100.0
730.37042	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	725.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01870	1.0
55.05500	1.3
57.03433	1.8
57.17526	0.7
59.05001	0.5
59.47634	0.6
61.02933	3.4
67.05505	3.8
69.03432	2.1
69.07092	1.2
69.17058	6.3
71.04983	1.9
73.02915	2.5
79.05499	3.6
81.03427	4.4
81.07069	3.6
83.04970	0.5
83.08616	1.7
85.02905	3.4
87.04435	0.7
89.02339	0.6
91.03946	1.9
91.05488	5.0
93.07032	4.3
95.04980	2.0
95.08626	1.6
97.02884	3.5
99.04451	1.0
101.02400	1.2
105.07034	3.7
106.17770	0.6
107.04974	1.1
107.08611	2.3
109.02944	1.2
109.10140	1.2
115.05507	0.6
117.07059	0.8
119.08582	2.1
121.10177	1.7
127.03925	1.2
127.07529	0.6
129.06984	1.3
131.08539	1.2
133.10107	0.8
143.08513	0.8
145.10129	1.2
147.11723	2.6
149.09622	1.5
153.01877	0.7
157.10185	0.7
171.11685	1.0
172.89314	0.5
175.11259	0.6
185.04271	0.7
193.12253	1.1
207.13803	0.7
227.64754	0.6
243.08435	2.6
247.13138	0.7
261.36444	0.6
267.15906	0.7
271.06015	7.6
274.65186	0.7
275.06052	0.6
283.15207	3.0
339.17746	0.6
465.20999	9.4
501.23129	10.1
725.37201	100.0
726.37091	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	728.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
54.42661	0.8
54.74868	0.7
55.01878	3.7
55.05519	8.2
57.03439	5.7
57.07078	0.8
61.02933	1.5
65.03936	1.5
67.05508	41.9
69.03418	1.7
69.07073	11.0
71.04967	3.2
71.06236	1.6
71.86372	0.7
73.02920	0.8
73.13328	0.7
79.05497	20.1
80.66656	0.7
81.03401	2.0
81.07059	39.5
83.04987	4.3
83.08610	4.2
85.02916	1.4
85.06554	3.8
91.05484	26.7
93.06481	1.5
93.07048	24.1
93.07639	1.5
95.04978	3.4
95.08611	18.5
97.02882	1.3
97.06519	2.6
97.10128	1.4
99.04449	1.0
105.07031	21.1
107.04958	1.1
107.08595	24.9
109.06519	3.5
109.10161	41.0
111.05281	0.7
111.08077	1.5
112.76349	0.7
113.06000	1.1
115.07598	0.7
117.07006	2.4
119.08617	4.7
121.10148	7.1
123.08092	0.9
123.11707	9.1
125.09615	1.0
127.07548	1.8
131.08539	3.8
133.10135	42.0
135.08018	1.0
135.11665	5.2
145.10130	2.6
147.11708	2.1
149.13234	3.1
149.46771	0.7
151.11180	23.2
153.09068	0.9
159.11694	2.0
161.09624	2.0
161.13272	1.5
163.11130	0.9
163.14821	1.2
169.12228	5.0
173.13239	2.0
175.14847	0.9
179.10764	2.0
184.07359	1.1
209.47005	0.8
214.82001	0.9
215.12750	1.8
233.22606	1.0
243.21016	3.0
253.14365	100.0
254.14778	1.3
261.22162	11.9
271.15430	26.8
272.15378	0.8
283.18951	0.9
302.23807	1.0
317.24759	1.7
320.84024	0.8
335.25806	47.5
336.26239	1.2
350.56140	1.0
395.30972	0.7
403.30045	0.8
457.33344	2.5
513.36011	7.0
531.36798	51.0
532.37225	2.1
549.38104	1.2
728.44940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30294	1.5
53.03937	6.4
55.01878	2.5
55.05521	17.1
56.83301	1.5
57.03243	1.4
57.03444	17.0
57.07065	2.0
57.13743	1.4
60.76881	1.6
61.02925	4.5
67.05510	56.0
69.03406	2.3
69.07083	10.0
69.16549	4.1
69.16975	13.8
71.05000	2.5
79.05495	35.7
81.03423	77.6
81.07061	48.9
82.73778	1.4
83.04984	6.2
83.08630	16.2
85.02906	4.7
91.03978	2.0
91.05495	28.1
93.07043	37.6
95.04973	26.4
95.08611	40.4
95.09176	3.0
97.02882	4.3
97.06556	3.1
97.10181	6.5
105.04542	1.6
105.07051	22.3
107.04958	6.8
107.08607	20.5
109.06551	5.4
109.10163	16.8
111.04453	2.8
111.08084	5.4
117.07030	5.6
119.08592	19.6
121.06517	2.4
121.10143	21.8
123.11729	3.8
125.09648	4.1
129.07069	8.4
131.08575	15.6
133.06520	3.2
133.10162	10.9
135.11699	10.4
137.13261	2.4
142.07817	2.7
143.08536	2.3
145.10150	9.4
147.04344	2.3
147.08043	4.7
147.11740	9.3
149.09604	3.1
149.13245	5.8
157.10146	7.2
159.11702	5.9
160.11172	2.1
161.13284	3.3
163.14804	2.0
171.11711	2.3
173.13191	4.0
175.11217	6.8
175.14781	2.1
187.14748	3.1
189.11232	2.7
189.12766	2.7
193.12233	18.2
227.12825	5.9
228.80788	1.6
235.13232	2.1
243.21117	6.3
249.14745	2.5
261.22119	20.5
267.15930	100.0
301.14200	2.5
301.25134	3.9
309.16986	3.7
317.24832	4.7
335.25821	92.9
343.95422	1.8
435.27521	2.1
435.32983	2.3
453.33685	6.6
471.34668	4.5
527.37311	49.0
545.38379	31.3
557.65308	2.0
569.38190	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	726.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.01871	2.1
55.05270	1.1
55.05516	14.5
57.03159	0.9
57.03443	14.8
57.07069	2.7
61.02937	4.0
65.03921	2.2
67.05507	62.4
69.03429	2.1
69.07068	20.8
71.04992	3.6
71.37463	0.7
73.02912	1.6
79.05495	42.0
81.03418	2.3
81.07058	75.1
82.07416	1.1
83.04991	4.8
83.08622	11.8
85.02882	4.0
85.06538	3.1
90.37304	0.8
91.03967	1.8
91.05480	21.6
91.06021	1.5
93.07044	56.6
95.04980	4.6
95.08609	34.7
97.02892	2.4
97.06531	8.9
97.10174	1.7
99.04443	1.0
99.08089	3.0
100.12370	0.7
105.04483	1.0
105.07037	11.9
107.04998	0.7
107.07870	1.7
107.08598	32.0
109.06522	1.8
109.10159	10.4
111.08097	3.9
112.01627	0.7
113.05999	1.0
113.09708	1.0
117.07009	7.7
119.08583	8.6
121.06478	0.9
121.10148	22.0
123.08086	1.1
123.11702	3.3
131.08568	10.4
133.10121	8.5
135.08092	1.7
135.11681	12.5
137.13274	1.8
139.11169	1.3
145.10103	5.1
147.11681	4.8
149.09549	0.9
149.13255	24.5
151.11203	1.1
157.10117	1.1
159.11667	9.9
161.13275	3.0
163.14806	2.1
165.12730	1.2
173.13261	2.6
177.12798	4.4
177.16429	0.9
195.13809	9.8
213.14850	0.8
243.21133	3.1
261.22177	8.1
267.15945	2.1
269.17480	88.8
270.17892	1.5
317.24731	1.5
328.87976	0.8
335.25812	58.8
336.26114	1.4
358.96243	0.8
403.51801	0.9
437.33994	1.1
455.34991	1.0
469.20297	0.9
493.06131	0.8
511.37991	1.4
529.38892	100.0
530.39154	4.3
547.39990	2.1
726.45013	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	725.1867
Annotation	Itoside N
Peak:m/z	Relative Intensity
55.07051	0.1
60.67833	0.1
65.03930	0.1
67.01866	0.7
68.99770	0.4
69.39957	0.3
69.40392	0.2
79.05478	0.1
81.03434	0.1
81.07061	0.1
81.12595	0.1
84.78981	0.1
91.05480	0.7
95.08592	0.1
97.48663	0.1
98.20728	0.1
102.45042	0.1
103.83882	0.1
106.66299	0.1
109.02872	0.1
110.42045	0.1
110.55350	0.1
111.00789	0.1
119.04948	2.5
121.02885	0.7
129.01842	0.1
131.91452	0.1
141.07086	0.1
145.02844	0.7
147.04414	1.9
148.04782	0.1
153.01836	5.3
163.03941	0.4
171.02881	0.4
187.03951	0.1
202.06412	0.1
203.07068	0.1
225.05501	0.3
229.04980	0.2
243.06447	0.3
247.06104	0.1
253.04933	0.1
270.05344	0.1
271.06018	100.0
272.06332	1.4
564.39508	0.1
601.57288	0.1
725.18604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96267	0.7
57.03416	1.0
57.07066	1.2
61.02909	2.6
67.05518	1.8
69.03450	1.9
69.07056	1.2
69.33496	0.8
71.08635	1.4
71.14619	1.6
73.02924	2.8
79.05488	2.2
81.03417	1.4
81.07042	2.0
83.08623	0.9
85.02901	3.2
85.10175	1.5
91.03960	2.0
91.05484	1.7
93.07036	1.9
95.08633	3.9
97.02895	2.7
101.02402	0.8
105.07098	0.8
107.08602	2.4
109.10229	1.2
121.10163	1.4
135.11711	2.1
145.10144	1.4
163.11189	4.0
184.07390	1.1
219.09866	1.0
227.12787	1.9
243.08484	2.0
249.11076	5.6
269.32660	0.9
272.97873	0.8
305.13562	1.6
467.18857	10.3
497.30963	5.9
723.42883	100.0
724.43256	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	723.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.05511	20.4
57.03429	10.0
57.07069	3.8
67.05508	80.6
69.03432	7.1
69.07075	19.5
71.05000	24.4
71.54752	2.7
74.84349	2.4
76.99156	2.4
79.05067	4.1
79.05496	47.9
80.32342	2.5
81.03424	25.9
81.07059	100.0
83.04986	18.8
83.08622	10.3
85.06551	7.4
91.05485	41.0
93.07046	53.3
95.04961	5.6
95.08608	37.7
97.02918	5.3
97.06528	6.4
97.10161	5.2
99.08099	2.8
105.07043	19.9
107.04945	3.0
107.08599	31.4
109.02891	5.1
109.09493	2.7
109.10137	14.8
111.04427	4.5
117.07011	7.5
119.08576	16.2
121.10138	18.1
123.11687	15.5
127.03949	3.3
129.05472	5.7
129.07007	5.3
131.08574	15.0
133.10133	21.7
135.11696	12.4
143.08542	3.2
145.10115	6.9
147.11697	8.3
149.13251	10.0
151.11205	7.9
157.10173	3.2
159.11702	10.4
163.11232	2.9
171.11682	3.7
173.04465	10.8
184.07306	3.1
187.13297	6.7
223.76471	3.1
243.15858	3.3
261.22220	5.7
269.17496	7.4
335.25772	36.3
337.30328	3.2
445.24573	8.4
461.29489	3.7
472.95593	3.0
503.37421	44.9
505.38867	4.7
517.38647	5.6
529.38983	20.6
561.41486	62.2
673.42871	5.6
705.45514	16.3
723.43872	8.4
747.69086	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	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
55.05514	9.9
57.03439	12.4
61.02902	1.0
62.60455	0.6
65.03938	0.8
66.29443	0.5
67.05508	16.2
69.03431	3.4
69.07070	4.3
69.35886	0.5
70.68174	1.5
71.04984	2.9
79.05499	17.5
79.05962	0.8
81.03420	78.6
81.07059	18.5
83.04984	8.5
83.08620	19.9
83.09122	1.0
85.02909	9.7
85.06538	2.2
91.05482	22.9
93.07045	11.5
95.04973	26.1
95.08614	7.2
97.02911	2.6
97.06535	2.3
97.10170	5.2
99.08102	1.1
103.13722	0.5
105.07034	16.4
107.04964	8.3
107.08593	6.9
109.06502	4.9
109.10168	3.1
111.04444	2.2
111.08094	7.5
113.06026	1.8
115.05432	1.0
117.06995	2.5
119.04963	1.3
119.08580	15.1
121.06509	3.8
121.10136	7.2
123.04429	1.1
123.08064	3.5
123.11706	1.0
125.09618	3.5
129.06999	10.8
131.04935	0.7
131.08571	10.7
133.06519	3.0
133.10129	6.1
135.08070	1.4
135.11670	0.9
137.05988	0.6
137.09625	1.9
141.07025	1.0
142.07806	2.4
143.08563	1.2
145.06468	4.2
145.10152	2.2
147.04504	0.6
147.08083	4.5
147.11693	11.2
149.09633	6.4
151.11169	0.5
155.08569	0.9
157.06541	0.7
157.10133	12.4
159.08093	1.3
159.11557	0.5
161.06061	0.7
163.11171	1.8
165.12767	2.2
167.08646	0.5
169.10207	0.8
171.08043	1.1
171.11662	0.9
173.09628	0.6
175.11191	12.5
176.24858	0.5
183.08061	0.6
185.09645	0.5
185.13263	0.7
187.11240	0.8
189.11220	1.2
189.12794	0.9
193.12245	31.1
195.11736	0.8
197.13248	0.9
205.12244	1.2
209.13261	0.9
211.11353	0.5
211.13295	14.1
212.66644	0.5
213.12750	0.7
215.14180	0.8
220.11882	0.8
229.14439	1.2
231.13847	0.7
233.15379	1.0
235.13313	0.6
249.14725	2.4
255.13800	2.8
267.15921	100.0
268.16324	1.5
273.14789	4.8
273.17249	0.6
285.16971	14.9
286.16879	0.6
301.14304	0.6
339.23209	1.3
341.21133	1.8
349.21527	2.7
367.22635	8.3
385.23743	9.6
403.24911	3.0
405.24072	1.5
415.24802	0.7
423.25418	0.8
433.25897	14.9
434.25989	0.5
441.26266	7.0
459.27420	75.1
460.27673	2.3
477.28500	46.8
478.28589	1.1
501.28140	1.2
509.31223	0.9
519.29645	1.6
621.33301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63214	1.4
53.03951	2.5
55.01869	4.5
55.05513	8.7
57.03442	9.6
57.07057	1.3
61.06653	1.2
65.03947	1.5
67.05503	18.3
69.03423	5.1
69.07051	7.0
71.05006	2.7
71.56719	2.3
73.78036	1.1
79.05501	21.5
81.03423	53.4
81.07059	23.0
82.07384	1.4
83.04994	6.9
83.08622	16.7
85.02910	5.9
85.06523	2.0
91.05489	19.0
91.06036	2.2
93.07049	27.2
94.07362	1.5
95.04966	17.3
95.08054	2.2
95.08609	24.7
97.02871	6.3
97.06530	5.0
97.10155	3.0
98.65265	1.4
99.04466	2.0
105.03403	9.6
105.07039	13.0
106.07401	1.3
107.04964	11.8
107.08588	19.8
109.02865	3.5
109.06521	5.4
109.10155	5.3
111.04412	2.9
111.08091	4.7
113.06033	1.2
115.05470	1.2
117.07021	7.4
119.08592	15.9
121.06516	4.6
121.10129	11.6
123.04433	1.8
123.08076	2.8
125.05988	2.7
127.03939	2.4
129.06993	5.7
131.08557	6.4
133.06520	2.1
133.10123	7.9
135.08049	3.5
135.11690	26.3
137.09610	2.4
139.07533	1.7
142.07684	1.5
145.10115	19.7
146.10497	1.6
147.04385	2.1
147.08063	2.1
147.11688	6.2
149.09619	4.7
153.12743	2.2
157.10118	7.8
163.09859	2.8
163.11186	50.7
165.12746	2.5
175.07513	1.4
175.11147	7.8
181.12285	7.6
193.12280	16.1
198.04369	1.2
209.11771	2.1
211.13316	4.9
214.18033	2.9
227.12785	46.5
228.13339	1.2
229.14290	1.4
249.14844	1.9
267.08832	5.5
267.15918	92.3
268.16278	2.1
275.20093	2.7
276.20413	2.2
283.15417	55.6
285.10074	1.9
285.17047	1.7
344.81427	1.2
350.24142	2.8
370.09210	1.6
398.39886	1.4
407.20758	1.4
475.26910	100.0
476.26907	2.7
493.27975	2.5
525.30408	2.8
542.35333	3.0
704.40436	3.1
722.31030	1.6
722.41504	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	1.6
53.03942	5.7
55.01873	2.7
55.05517	16.9
57.03440	9.9
57.07078	2.8
65.03951	2.3
67.05509	55.7
69.07081	11.0
79.05497	54.8
81.03418	4.7
81.07058	46.0
83.04980	8.8
83.08626	5.9
85.02899	2.4
91.05483	38.3
93.07051	55.7
95.04966	11.4
95.08617	34.6
97.06518	4.9
97.10182	3.9
100.65804	1.4
105.07039	29.7
107.04962	4.9
107.08595	19.2
109.06548	3.0
109.10187	10.0
111.08055	1.6
117.07032	7.4
119.08595	17.1
121.10140	10.3
123.08067	3.3
123.11691	2.1
125.09531	1.4
129.07024	9.5
131.08571	6.1
133.10124	9.4
135.11703	6.3
143.08560	5.6
145.10129	7.4
147.11703	18.8
149.13260	2.0
159.11697	4.0
161.09616	2.5
161.13277	7.2
171.11725	15.8
173.13313	2.9
182.69179	1.4
189.12808	4.7
207.13811	15.7
225.14793	1.5
261.22174	5.2
281.17508	30.7
317.24829	2.2
335.25824	54.2
335.29901	2.6
449.34311	2.4
524.39984	1.8
537.24384	2.6
541.38947	100.0
542.39136	4.2
623.27985	5.3
624.28345	15.6
641.71967	1.4
721.49573	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07056	1.6
53.03941	11.2
55.01628	1.6
55.01878	19.1
55.05262	2.7
55.05515	43.1
55.51764	1.7
57.03444	20.1
59.05000	1.8
61.02940	3.4
65.03948	5.2
67.05508	79.6
69.03429	30.3
69.07072	31.1
69.26819	8.1
69.27243	7.3
71.05000	15.2
73.02904	4.0
77.45105	1.6
78.66479	1.8
79.05497	74.7
81.03423	100.0
81.07060	79.1
82.03761	2.0
82.69583	1.9
83.04985	25.7
83.08624	29.9
85.02906	27.2
85.06532	6.5
91.03960	3.4
91.05486	82.2
93.07047	53.1
95.01360	2.5
95.04977	32.3
95.08613	41.9
97.02898	23.7
97.06542	23.6
97.10168	15.3
98.20792	3.7
99.04456	7.7
99.08106	2.1
101.02369	2.5
103.05470	3.9
105.03368	2.1
105.04517	2.8
105.07032	66.0
107.04955	25.1
107.08605	42.5
109.02879	15.5
109.06528	11.3
109.10166	22.2
111.04443	12.9
111.08087	13.9
113.05982	1.9
115.05454	5.8
117.07018	23.3
119.04962	2.5
119.08591	48.8
121.06527	12.0
121.10148	25.4
123.04433	3.3
123.08086	9.5
123.11687	7.8
125.05997	2.5
125.09643	12.6
127.03940	12.7
127.74068	1.8
128.06247	3.7
129.05476	6.2
129.07013	21.3
130.07803	2.0
131.08583	37.1
133.06496	6.6
133.10135	32.3
135.08073	9.4
135.11690	10.8
137.09634	6.6
141.07022	7.0
142.07729	4.0
143.08592	12.5
145.06505	5.1
145.10117	29.7
147.04488	2.5
147.08040	5.2
147.11703	29.5
149.09641	21.3
149.13257	4.8
151.11177	2.6
155.08548	8.4
157.10139	19.4
159.08116	4.2
159.11694	14.0
161.09651	4.9
161.13263	7.0
163.11174	14.2
163.14851	2.4
165.12769	5.6
169.10130	7.6
171.11678	8.4
173.04495	16.0
173.05865	3.1
173.09639	5.0
173.11906	2.8
173.13196	8.7
175.11211	16.3
177.12781	3.3
179.14279	2.0
181.10132	3.4
181.12219	2.9
183.11708	6.7
185.13298	6.9
187.11217	5.9
187.14882	3.9
189.11246	6.6
189.12770	3.8
191.10634	1.8
193.12262	33.9
195.11749	3.0
197.13240	5.8
199.11159	1.9
199.14798	1.8
201.12775	2.8
203.14195	2.5
205.12334	1.7
205.19574	2.1
209.13322	4.0
211.13263	37.6
213.12704	2.9
213.14639	2.2
219.13875	1.9
221.13272	1.8
227.12692	15.9
229.14323	5.4
229.19487	6.3
233.15373	2.3
239.17979	4.6
245.18942	2.5
247.20621	4.1
249.14902	2.6
257.19064	12.1
267.15909	24.1
269.17465	2.3
269.52618	1.9
273.18427	2.4
275.20071	73.1
277.21518	1.8
283.15619	3.0
284.99747	1.8
285.16998	20.6
291.19598	2.9
293.21066	7.2
299.19934	2.6
313.21619	3.7
315.23187	1.9
317.21075	1.9
331.22766	4.3
337.21423	2.7
349.23721	41.5
355.17526	3.1
383.22308	2.2
393.19138	2.3
411.20340	2.6
419.24100	2.6
429.21219	7.6
437.25430	2.0
439.26657	3.1
450.79028	1.8
461.29056	4.2
467.31659	3.7
475.26947	2.1
479.30487	2.2
501.32202	2.7
515.32886	2.3
523.33826	5.6
531.36548	4.3
541.35358	43.7
542.35474	1.9
557.33801	2.9
559.36334	45.7
577.37604	3.5
623.34058	3.1
665.39606	1.9
667.38385	4.8
685.39032	7.1
703.40515	29.6
721.41064	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	721.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88754	2.1
53.03944	10.6
55.01876	24.1
55.05513	29.4
57.03442	15.1
57.07083	2.6
61.02931	5.0
65.03952	2.1
67.05179	4.2
67.05510	63.7
69.03436	24.9
69.07076	37.9
69.25130	20.9
71.05006	11.2
73.02918	2.7
76.17310	2.3
79.05502	51.6
81.03422	88.0
81.07059	70.9
83.04993	23.4
83.08628	26.6
85.02905	20.1
85.06528	2.8
91.03959	3.3
91.05485	70.0
93.07048	50.6
95.01340	7.5
95.04977	32.7
95.08614	35.2
97.02896	25.6
97.06542	49.6
97.10184	8.1
99.04443	4.8
99.08101	4.5
103.05459	3.9
105.04503	4.1
105.07040	87.2
107.04965	24.1
107.08597	24.4
109.02887	15.6
109.06522	10.0
109.10157	18.9
111.04462	9.1
111.08095	10.2
115.05461	2.4
117.07040	15.2
119.04976	3.8
119.08591	50.9
121.06523	8.2
121.10159	16.8
123.04465	2.8
123.08073	6.6
123.11749	5.6
125.09657	6.9
127.03938	7.9
129.05499	3.3
129.07027	10.9
131.04939	2.7
131.08580	32.3
133.06543	6.3
133.10144	46.3
135.08058	8.1
135.11731	9.0
137.09610	5.7
141.07019	4.6
142.07809	2.8
143.08559	5.3
145.06477	2.9
145.10120	20.9
147.08047	5.5
147.11696	23.9
149.09633	14.4
149.13255	5.1
151.11298	3.2
155.08632	2.9
157.10144	13.1
157.30812	2.7
159.08081	2.5
159.11656	13.5
161.13222	5.3
163.11221	7.3
165.09062	3.6
169.10110	3.7
171.11746	5.3
173.04478	3.3
173.11780	3.2
173.13289	4.7
175.11172	10.6
177.12790	5.3
179.14362	19.6
181.12183	2.4
185.13235	4.2
187.11214	4.4
191.10655	2.9
193.12251	34.0
195.68645	2.3
197.13368	4.6
211.13313	32.4
223.13174	2.9
227.12750	4.8
229.14377	3.4
247.20485	3.1
257.18945	7.0
267.15948	35.3
275.20099	100.0
276.20523	4.9
279.15979	3.8
284.56543	3.0
285.17007	9.0
291.19711	3.3
293.21213	7.5
349.23758	51.5
413.17783	8.9
429.15781	3.9
429.21237	48.5
461.29135	3.6
464.49200	2.3
486.44458	2.6
541.35272	73.7
542.36035	3.5
559.36310	27.6
703.40521	65.9
721.37653	74.3
722.37262	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	720.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01867	2.0
55.05515	8.3
56.96529	0.6
57.03437	6.3
63.42562	0.6
65.03940	1.8
67.05508	23.3
69.03436	1.4
69.07066	5.3
70.27180	2.3
71.04980	1.9
73.71557	0.6
77.03934	0.8
79.05495	31.2
81.03419	43.3
81.07055	18.4
83.04987	7.0
83.08627	10.5
85.02917	1.3
85.06542	1.6
85.42790	0.6
87.70126	0.6
91.05484	26.1
91.50515	0.6
93.07047	28.9
95.04968	17.4
95.08602	9.2
97.02903	1.6
97.06532	2.3
97.10165	2.9
99.08117	0.7
105.04500	0.8
105.07036	19.7
107.04955	3.8
107.08585	7.4
109.02852	0.5
109.06516	4.5
109.10154	2.3
111.08089	4.9
117.06994	5.0
119.04932	0.8
119.08588	14.0
121.06514	1.9
121.10162	4.3
121.93385	0.6
123.08105	3.2
125.09631	0.6
126.50973	0.5
128.06238	1.2
129.06058	0.6
129.07010	10.3
131.08562	5.4
133.06519	1.7
133.10133	6.3
135.08038	0.9
135.11699	0.9
137.09633	1.4
142.07753	1.7
143.08563	4.1
145.10118	4.9
147.08038	2.6
147.11699	17.8
149.09648	2.5
157.10126	6.0
159.11713	1.2
161.09645	2.2
161.13245	4.4
163.11198	1.1
165.12819	0.6
171.11705	11.7
175.11186	4.5
189.12692	4.2
193.12254	9.5
193.13890	1.0
205.12299	0.5
207.13794	8.1
211.13266	0.9
249.14716	0.7
267.15918	35.3
281.17480	30.6
421.25879	0.9
473.28992	100.0
474.29208	2.3
491.30075	1.9
515.29688	1.7
599.08844	0.6
720.40485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.2
57.03429	19.5
62.00561	4.9
62.49662	4.7
64.94992	4.3
66.50790	5.0
67.05182	5.5
67.05507	80.2
69.07068	23.1
70.74144	9.7
71.04995	4.8
77.79276	4.6
79.05498	58.0
80.66528	4.6
81.03405	5.3
81.07062	91.5
83.04953	6.5
83.08603	14.8
85.02891	6.0
90.20779	4.3
91.05468	41.5
93.07043	52.3
95.04978	4.2
95.08607	60.0
97.06526	7.7
97.10154	5.7
105.07039	43.3
107.08601	37.1
109.06579	5.1
109.10167	38.4
110.09574	5.3
111.08046	6.7
117.07035	10.9
119.08587	40.8
121.10149	31.7
123.11667	14.5
125.00022	5.5
131.08592	28.8
133.10123	26.9
135.11729	22.8
145.10095	17.6
147.11720	24.3
149.13223	10.2
151.85417	4.5
157.10098	7.8
159.11642	15.5
161.13248	10.0
161.91222	4.9
163.14832	9.0
165.12737	12.9
167.75287	5.1
173.11729	14.0
173.13274	11.8
175.14774	5.6
183.11502	6.5
184.07297	14.2
187.04501	5.2
191.56818	5.1
199.14734	6.9
229.14337	57.7
239.16312	25.2
243.21066	5.2
244.16792	5.5
261.22073	13.0
262.25290	19.9
313.25092	5.3
317.24832	5.6
333.24307	5.3
335.25766	70.4
413.08054	5.8
425.34030	15.3
439.53488	4.9
443.35416	8.6
489.35486	30.2
499.37708	34.5
517.38934	100.0
534.48315	7.2
714.40332	4.5
714.47937	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	717.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88565	0.2
53.03939	0.6
55.01874	0.4
55.05517	1.0
57.03446	1.9
57.07059	0.3
61.02930	4.9
61.32055	0.2
65.03929	0.3
65.14258	0.2
67.05214	0.2
67.05508	4.9
69.03433	2.6
69.07068	1.3
69.18379	0.7
69.18801	1.5
71.01366	0.5
71.05001	0.5
73.02919	3.7
79.05491	3.8
81.03423	1.8
81.07064	3.9
83.05002	0.5
83.08634	0.8
85.02437	0.2
85.02908	5.6
87.04475	0.4
87.18185	0.2
91.03970	3.6
91.05482	1.9
93.07040	4.2
95.04974	0.3
95.08619	2.8
97.02899	4.5
97.06549	0.7
97.10166	0.4
98.21464	0.5
99.04472	0.6
101.02385	1.9
103.03986	0.4
105.07064	1.3
107.08596	2.8
109.02889	0.6
109.06495	0.4
109.10168	1.5
115.03904	0.3
117.07033	0.7
118.01320	0.2
119.08595	0.8
121.10165	2.0
123.11669	0.3
127.03921	1.5
131.08611	0.5
133.10133	0.6
135.11688	2.8
135.74722	0.3
138.02708	0.2
145.10135	0.5
147.11664	0.4
149.13216	0.5
152.66158	0.2
161.13260	0.4
163.11258	0.2
173.13234	0.3
184.17827	0.2
185.04234	0.6
187.14812	0.3
221.11542	1.5
243.08430	2.0
255.15863	0.3
277.14270	0.3
301.26660	0.2
335.25937	0.8
423.52258	0.2
439.19440	4.1
519.29327	7.3
520.30115	0.3
528.44763	0.2
630.36627	0.2
717.41852	100.0
718.42212	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	718.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.05515	9.1
57.03439	7.3
57.07079	26.5
61.02917	1.6
67.05502	13.9
68.05869	1.2
69.07061	8.0
71.04589	0.9
71.04990	1.8
71.08293	1.3
71.08635	15.8
71.55801	1.6
73.02887	1.6
79.05069	1.3
79.05494	14.9
81.07059	19.7
83.04981	2.4
83.08617	10.4
85.02886	1.5
85.10195	10.7
89.06019	4.1
91.05474	3.2
93.07042	20.3
95.04954	3.8
95.08608	36.3
97.02872	2.2
97.06538	2.6
97.10133	3.1
99.04451	2.6
105.07019	3.2
107.04965	6.2
107.08602	17.4
109.06517	1.2
109.10181	7.4
111.11680	1.1
117.06984	6.0
119.08546	7.2
121.06490	4.8
121.10148	9.0
123.11701	2.5
125.05959	2.2
130.07767	1.1
133.10074	2.0
135.08037	2.1
135.11696	41.8
145.10130	19.3
163.11182	50.0
181.12236	10.1
209.11635	2.1
227.12788	52.7
239.23575	1.6
257.24576	1.6
265.67303	1.0
283.15399	90.1
284.15567	1.5
313.27359	95.5
314.27927	1.3
475.21640	1.5
476.22516	1.2
521.38391	100.0
522.38782	3.2
622.27960	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	719.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44926	3.3
52.82422	3.8
53.03941	13.2
55.01871	19.3
55.05515	55.6
56.96555	5.0
57.03436	12.5
58.38011	2.9
59.05003	3.5
61.02923	3.7
65.03939	4.6
67.05510	95.0
68.05816	5.5
69.03439	33.4
69.07070	32.6
71.04990	11.0
71.54739	5.6
71.63599	3.7
73.02909	3.9
79.05498	69.3
81.03426	100.0
81.07065	66.5
82.07373	3.6
82.70408	3.1
83.04997	28.4
83.08636	33.6
85.02917	26.1
85.06567	4.7
87.04500	3.5
91.05490	70.9
93.07050	57.7
95.04961	30.4
95.08624	31.6
97.02892	23.9
97.06533	13.8
97.10168	22.7
99.04458	7.4
99.08060	3.3
103.15613	3.2
105.07036	43.0
107.04969	24.0
107.08604	36.2
107.53037	3.6
109.02879	22.2
109.06535	9.4
109.10173	44.8
110.10506	4.8
111.04464	8.4
111.08105	11.6
115.05456	8.2
117.07071	20.9
119.04904	3.7
119.08590	44.1
120.08895	3.3
121.06528	10.8
121.10146	16.6
123.04500	5.6
123.08086	10.1
123.11747	4.7
125.09629	20.7
127.03942	20.5
129.06981	19.3
131.04964	4.3
131.08595	32.2
133.06439	8.9
133.10118	21.6
135.08084	11.2
135.11728	9.9
137.09627	9.0
142.07773	3.8
143.08575	12.5
145.05008	3.6
145.10112	20.5
147.08049	11.9
147.11713	21.1
149.09637	14.3
149.13200	3.5
153.12782	3.7
157.10156	15.9
159.11699	8.8
160.15187	3.2
161.06023	3.6
161.09583	4.6
161.13388	5.7
163.11266	16.6
165.06964	3.1
169.10158	4.6
171.11752	4.5
173.04475	10.2
173.09599	3.5
173.11757	8.3
173.13251	7.9
175.11174	12.5
181.10086	5.4
181.12213	8.3
183.11736	5.2
185.09564	4.5
189.09311	3.4
189.11218	15.7
189.12747	4.3
191.10793	3.9
193.05040	5.0
193.12256	26.2
199.11124	4.5
206.26190	3.6
211.13316	38.9
219.13823	7.0
223.13333	10.1
227.12735	22.9
229.12279	6.1
229.14293	18.6
230.14636	7.0
231.17561	3.4
236.03407	3.2
254.66972	3.1
267.15851	13.5
269.17578	5.1
273.18631	22.7
275.20111	15.8
276.20483	5.3
285.17023	5.5
291.19586	67.7
347.22211	5.3
349.23819	7.8
353.56192	3.6
365.23367	11.6
411.20230	5.0
423.27411	9.6
424.27713	20.6
445.25790	4.5
539.33423	9.4
557.34680	32.5
575.35669	11.7
683.38025	7.1
701.39124	18.5
719.40070	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	713.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01871	2.9
55.05265	1.9
55.05503	9.3
57.03430	5.7
60.16529	1.6
60.53930	1.6
61.02938	10.7
67.05508	13.3
69.03434	26.3
69.07079	8.8
71.04975	4.7
71.54932	1.6
73.02906	4.3
79.05485	11.2
81.03426	14.3
81.07061	26.3
83.01363	2.1
83.04971	3.8
83.08600	3.0
85.02910	73.4
85.06538	9.6
87.04450	4.4
89.96854	1.6
91.03983	2.1
91.05495	13.4
93.07045	29.6
95.08612	47.8
97.02894	28.4
97.06526	2.8
97.10161	3.8
99.04463	5.7
99.08089	2.7
101.06014	6.5
105.07037	26.3
107.04960	2.1
107.08595	33.4
109.02863	9.0
109.06507	7.9
109.10150	28.8
111.08079	2.8
111.11700	2.9
117.07012	6.3
119.05002	2.0
119.08582	39.9
121.06500	2.6
121.09323	2.6
121.10145	29.8
121.61263	1.7
123.08064	6.2
123.11726	11.3
125.09621	3.0
127.03935	14.4
127.07581	4.8
129.05464	6.3
129.06979	4.8
131.08580	12.1
133.06464	5.4
133.10143	25.0
134.97499	2.0
135.08086	2.6
135.11679	18.7
137.05952	4.3
137.09566	2.3
137.13272	2.0
139.03847	1.7
139.11186	4.0
141.08975	1.7
143.08553	13.7
145.04965	15.1
145.06114	2.3
145.10129	20.4
147.04390	4.1
147.08047	4.7
147.10783	1.7
147.11728	15.6
149.09613	3.5
149.13297	13.5
151.07555	2.3
151.11147	1.7
153.09122	2.3
155.07021	10.8
155.08498	4.5
157.10136	12.9
159.11696	21.4
161.06015	2.7
161.09653	3.7
161.13274	25.6
163.11179	3.3
163.14845	15.9
165.09103	2.8
165.12747	4.0
167.07057	4.7
169.08572	7.1
169.10141	8.5
171.11703	15.2
173.09703	2.0
173.13275	31.6
175.11246	4.0
175.14874	16.1
177.05403	1.9
177.09163	2.5
177.16403	3.9
179.14322	29.4
181.08606	5.1
181.10141	4.7
183.10295	1.9
183.11765	11.0
185.13286	12.3
187.11151	1.8
187.14818	14.6
189.12682	2.6
189.16420	7.6
193.08530	2.0
195.10114	6.0
195.11716	5.4
197.11665	2.8
197.13251	12.0
199.14824	14.7
201.12608	2.1
201.16386	8.4
203.10716	1.9
203.14328	1.8
203.17900	3.3
209.13275	5.0
211.14763	5.0
213.12776	2.2
213.16386	15.0
215.17955	6.2
217.15883	7.7
223.14915	9.3
225.16368	8.1
226.17343	1.7
227.14381	1.9
227.17973	11.8
229.19485	5.2
231.17433	1.9
235.17041	1.9
237.16412	4.6
239.17946	8.6
241.15857	2.0
241.19521	6.2
243.08708	3.6
243.13803	1.8
243.17453	2.9
243.21025	4.3
245.15407	6.1
245.18936	4.1
247.13051	1.8
251.17984	5.3
253.19609	9.1
255.21089	4.0
263.16379	37.8
265.19315	2.3
267.21039	5.8
269.19128	3.0
269.22485	2.1
273.22296	2.6
275.16443	3.8
279.21106	4.6
281.22516	3.5
283.20837	2.3
285.18832	1.9
285.22247	2.2
287.16360	2.2
289.17776	2.7
291.20999	3.3
293.22653	2.3
295.20386	2.1
295.24313	2.1
301.17917	3.4
307.23969	2.3
313.17963	8.7
315.19434	2.9
317.21466	2.5
321.25684	3.0
323.19702	1.9
331.22748	3.4
333.25638	5.7
335.27310	3.8
349.28833	3.5
351.26752	2.5
351.30597	2.2
359.27264	3.0
361.28943	2.5
365.28445	2.8
367.26144	3.1
367.30240	2.2
369.24338	3.1
375.38327	1.7
377.28290	6.8
379.25830	2.7
379.29898	8.5
387.25436	8.7
393.28098	2.8
395.29437	7.1
397.27112	19.0
405.27725	5.6
407.29254	4.9
411.29028	16.3
413.30688	15.5
423.28946	50.5
425.30496	19.1
427.31918	7.0
433.27060	2.4
439.28491	2.8
441.30066	74.7
443.31543	6.2
451.28253	11.5
469.29559	44.8
475.30435	5.1
487.30563	100.0
488.31189	3.9
503.30219	2.1
505.31760	3.5
515.29987	2.9
533.30865	2.2
559.32538	18.5
603.35162	19.5
649.35919	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	711.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
56.96569	0.7
57.03432	0.4
62.91583	0.4
67.05505	3.0
69.03433	0.9
69.07075	1.1
70.14849	1.3
71.05004	0.4
81.03416	3.5
81.07059	3.2
83.04984	0.4
83.08636	0.6
84.08923	0.4
85.02908	0.9
85.06549	0.4
90.61790	0.4
91.05478	2.0
92.05831	0.5
93.07046	1.8
95.04997	1.5
95.08620	1.6
95.31210	0.3
97.02893	0.8
97.06543	0.6
105.03402	0.9
105.07027	2.6
106.07397	0.5
107.04990	0.4
107.08615	2.6
109.02909	0.5
109.10158	2.8
111.04422	0.5
111.08081	0.7
119.04921	0.4
119.08632	0.9
121.06556	0.4
121.10162	0.9
123.11700	0.6
125.09622	0.6
126.02089	0.4
129.07042	0.7
131.04959	1.3
131.08611	0.9
133.10133	2.9
134.10495	0.8
135.11697	0.8
137.09665	0.5
142.25534	0.4
145.10217	0.7
147.04457	0.7
147.11693	1.1
151.11192	1.5
157.10309	0.6
159.11766	0.5
163.11201	0.5
165.09100	0.5
165.12796	0.4
189.00693	0.4
191.14339	0.5
193.12282	1.2
209.15540	0.5
253.14403	4.7
254.14635	2.9
267.09018	0.9
267.15982	2.0
268.16354	1.3
271.05841	0.6
271.15536	1.0
272.15936	0.4
285.10153	1.1
323.18542	0.4
397.25674	2.6
430.18716	1.6
430.69254	0.4
439.26538	0.7
446.26306	0.6
463.26917	1.5
464.27258	2.7
469.28098	0.6
499.28870	1.3
509.27499	0.6
513.30286	0.5
539.28528	0.5
541.30792	0.6
549.19812	0.4
557.29321	10.6
559.31067	3.7
582.48260	0.4
711.43036	100.0
712.43286	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	712.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
55.01869	2.3
55.05513	16.1
57.03442	19.1
57.07066	2.1
61.02918	2.8
62.30278	0.6
65.03927	2.1
67.05508	62.8
68.05852	0.7
69.03428	1.8
69.07070	17.9
70.93978	1.6
71.01361	3.5
71.04996	4.2
72.85597	0.6
73.02898	1.0
77.03970	0.7
79.05498	51.5
81.03408	3.7
81.07059	46.5
82.07386	0.8
83.04978	9.7
83.08617	7.2
85.02886	2.9
85.06527	3.8
91.03928	1.5
91.04915	0.8
91.05486	23.6
93.07047	62.0
94.07372	0.9
95.04989	5.2
95.08610	33.7
97.02895	1.3
97.06534	10.5
97.10173	9.8
99.04415	0.7
99.08079	1.8
105.04501	1.3
105.07040	12.4
107.04947	1.3
107.08599	39.0
109.06515	2.0
109.10161	14.6
111.08091	3.0
111.11762	0.8
117.07030	6.1
119.08591	11.8
121.06513	0.9
121.09329	1.2
121.10150	18.1
123.08059	0.7
123.11716	3.2
125.09616	1.6
130.07782	0.7
131.08580	6.6
133.10124	8.9
134.10362	0.7
135.08070	1.4
135.11694	50.2
136.11980	1.2
137.09619	2.0
137.13246	1.1
145.10127	12.1
147.11691	3.5
149.13264	4.5
151.11174	1.0
153.12766	2.6
157.10159	1.2
159.11693	4.4
161.13248	3.7
163.11214	6.4
163.14792	2.4
173.13185	3.4
175.14874	1.0
177.16441	1.1
181.12228	10.5
187.14751	1.6
199.13283	2.3
227.12886	0.8
243.20992	3.3
253.14377	2.4
255.15921	100.0
256.16052	0.9
259.20776	0.8
261.22153	11.3
280.33466	0.7
317.24661	2.6
335.25809	52.3
336.26187	2.1
379.87601	0.7
405.31406	0.8
414.66165	0.7
423.32684	2.3
441.34232	1.1
446.84122	0.7
447.79416	0.7
497.36209	0.8
515.37347	83.3
516.37854	1.6
533.38446	2.5
670.95557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01873	0.8
55.05511	0.8
57.03444	2.1
57.07078	0.6
61.02930	3.8
61.53581	0.4
63.34529	0.4
67.05512	2.2
69.03434	2.6
69.07080	1.3
71.05011	0.5
73.02925	3.1
79.05487	2.4
81.03414	3.0
81.07061	2.2
83.01131	0.9
83.04997	1.1
83.08633	1.2
85.02908	5.3
91.03963	3.2
91.05492	2.2
93.07046	2.2
95.01070	0.7
95.05000	1.3
95.08603	1.2
96.01943	0.4
97.02901	3.7
97.06530	0.9
97.10193	0.5
99.04503	0.6
101.02406	1.0
103.03925	0.5
105.07048	1.6
107.04968	1.1
107.08611	1.9
109.02859	1.1
109.06522	0.7
109.10165	1.0
119.08596	1.4
121.06500	0.5
121.10186	1.1
123.04392	1.3
125.09667	0.8
127.03938	2.3
129.05536	1.2
131.04903	0.6
131.08543	0.5
133.10152	0.8
135.04430	0.4
135.11728	0.7
137.06018	0.9
138.56223	0.4
139.03844	0.8
145.02829	0.5
145.05005	0.6
145.10150	0.5
147.11720	0.8
149.09650	0.5
150.40065	0.4
152.41125	0.4
163.11243	0.6
175.11278	0.6
177.05537	0.9
181.04710	1.1
183.06612	0.4
185.04254	4.0
193.12311	1.9
199.13254	0.9
201.03630	2.0
203.05272	0.7
211.13342	0.6
212.48079	0.4
227.05453	0.5
241.07077	0.6
243.08443	3.6
251.12558	3.0
265.14270	0.6
267.09113	0.5
271.06076	0.8
277.14075	2.1
285.10303	0.7
285.17126	0.5
291.15829	0.9
301.09000	13.2
307.15225	0.5
313.08813	0.5
315.10446	3.4
321.16666	0.5
323.26141	0.5
327.10556	1.1
341.12177	1.1
343.13864	1.2
349.16171	2.3
355.13879	0.8
357.15463	0.7
363.17953	0.6
367.17371	0.9
369.15289	1.2
370.93445	0.5
371.16843	1.1
373.11081	4.5
383.16824	3.8
385.18323	5.6
387.12683	1.3
395.16760	1.9
401.14029	0.5
413.17966	0.8
423.19458	0.5
429.17429	1.6
433.25818	1.9
439.19638	1.4
443.18930	4.9
457.20700	0.7
467.18643	0.6
469.20474	12.6
479.26016	0.8
483.22025	0.9
485.19733	4.2
499.21313	3.5
500.22549	0.5
511.21631	1.3
527.28094	1.2
528.21844	3.4
541.22552	5.5
551.29187	0.5
555.24323	1.8
569.26288	1.9
583.30243	1.2
611.30328	5.3
612.31122	4.1
641.31433	1.4
651.34161	0.8
653.31128	1.3
655.33337	0.9
667.32806	1.3
695.32831	1.9
713.33478	100.0
714.33813	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
56.89354	0.5
65.12826	0.6
67.05466	0.7
69.03404	0.9
69.07025	0.6
70.72701	1.1
70.73074	1.4
85.02873	1.1
88.44830	0.6
93.07047	0.9
94.06544	1.3
97.02862	0.8
98.97539	1.1
100.11248	0.6
100.66740	0.6
107.04924	1.0
108.04445	1.5
108.08060	2.3
114.09135	0.6
119.07330	0.8
120.04506	0.6
120.08128	3.3
127.03901	0.5
136.07571	4.9
137.05959	1.1
138.05441	2.5
138.09100	1.9
138.74974	0.5
140.07031	0.9
142.35408	0.6
145.07539	0.6
146.03252	0.6
146.05965	2.7
146.08376	1.5
147.04399	1.2
148.07532	2.1
151.03886	0.7
156.06540	1.8
157.07304	0.8
158.99582	0.6
162.09122	0.6
164.07033	1.3
164.37834	0.6
166.05028	1.3
166.08664	0.8
168.06561	3.4
168.07925	1.1
172.03941	0.8
172.07602	0.8
174.05478	1.2
174.07820	1.9
174.09155	0.7
175.08640	1.8
185.10587	0.6
188.09375	0.7
189.10266	0.7
196.09848	1.4
197.07036	0.8
197.10722	1.6
198.07784	0.8
199.08696	1.7
203.08153	1.0
204.06581	2.3
204.08948	1.1
205.09706	1.7
206.08333	4.1
211.08664	13.6
211.12195	2.9
212.09431	4.7
213.10248	4.6
215.19150	0.6
217.09703	1.5
221.10707	2.5
222.09129	1.8
222.11284	0.9
223.08696	1.4
223.12274	0.7
224.09299	2.3
224.10966	1.5
225.06676	1.2
225.10219	13.1
226.07315	0.9
226.10966	4.4
227.08206	4.1
227.11766	2.4
228.08890	0.7
237.10068	1.5
238.08574	0.7
238.10966	1.6
239.08232	3.0
239.11798	22.2
240.08788	3.4
240.12573	1.4
241.09734	7.4
241.13451	3.3
242.10402	1.6
243.11316	1.1
249.10257	1.9
250.08775	1.5
251.08118	1.6
251.11757	1.3
252.08771	3.5
253.09723	13.9
254.10529	5.0
255.11391	5.3
257.09250	1.8
257.12814	6.3
265.09796	0.8
267.11301	33.2
268.12131	4.3
269.10016	0.8
269.12775	4.5
271.10828	3.2
272.11523	5.1
275.13986	4.6
277.09760	0.9
279.11142	2.4
280.08597	1.0
281.09183	3.1
281.12463	1.1
283.10791	3.3
284.11615	1.2
285.12335	18.8
295.10797	17.1
295.14139	0.8
296.11539	1.5
297.12357	15.2
298.13171	1.1
299.02866	0.7
299.06793	0.7
299.10248	2.4
299.13480	0.7
301.11868	0.8
303.13403	20.0
303.16855	1.1
305.09311	0.7
307.10477	0.7
311.10220	1.4
311.13660	1.1
313.11832	100.0
314.12540	3.2
315.13266	0.8
321.14594	2.8
323.10281	5.2
323.13727	1.1
323.35001	0.6
325.11935	1.1
325.15396	0.9
326.12683	0.7
327.13251	1.8
339.13400	1.9
341.11353	31.5
342.12213	3.4
345.14487	0.7
353.14722	1.7
354.12256	1.1
355.12845	2.5
356.12207	0.6
359.12424	1.8
365.14981	0.7
373.13968	53.2
374.14468	1.6
379.13086	0.9
381.14252	3.5
383.16077	1.3
385.14151	0.9
397.13858	0.9
399.15378	4.5
427.14975	5.5
459.17529	1.3
497.17935	0.6
505.80652	0.6
599.24902	1.3
615.24408	2.1
617.26038	7.3
625.22632	1.1
633.25452	6.2
643.24048	6.5
657.25830	0.7
661.25073	43.0
662.25354	1.6
675.26910	4.4
679.26239	11.9
693.27686	38.3
694.28119	1.2
711.28693	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.2
55.05508	11.4
56.96565	1.0
57.03439	12.8
59.19452	0.7
61.02908	0.7
65.03936	1.4
67.05508	20.2
69.03426	5.1
69.07067	6.1
69.36418	5.0
71.04985	3.1
71.39131	0.8
79.05498	20.8
81.03419	91.0
81.07056	19.3
83.04977	9.7
83.08618	23.4
84.09948	0.6
85.02907	14.2
85.06538	1.6
91.05479	27.5
93.07046	14.7
95.04970	27.1
95.08611	8.8
97.02869	3.2
97.06551	3.5
97.10195	4.9
98.97549	0.9
99.04481	0.8
99.08092	0.9
103.05453	1.1
105.03392	9.8
105.04471	0.8
105.07037	19.9
106.03731	1.9
107.04958	13.8
107.08590	8.5
108.05273	1.7
108.82899	0.7
109.02895	1.6
109.06532	4.7
109.10172	4.1
111.04436	2.2
111.08082	9.6
113.06004	0.8
115.05444	1.4
116.06216	0.7
117.07037	3.5
118.25523	0.6
119.04948	1.6
119.08583	17.9
121.06538	5.0
121.10147	8.4
123.04433	1.1
123.08042	3.2
123.11674	1.1
125.09624	2.5
127.03909	2.6
128.06210	0.9
129.07005	12.5
131.04918	2.2
131.08565	12.8
133.06523	3.9
133.10146	8.5
135.04453	0.8
135.08034	2.4
135.11691	1.3
137.05978	1.6
137.09581	2.3
137.13309	0.7
139.03827	0.9
141.06958	0.7
142.07805	2.2
143.08553	1.5
145.06490	4.5
145.10138	2.7
147.04399	3.3
147.08051	3.6
147.11691	11.4
149.06035	1.0
149.09587	6.7
151.11121	0.9
155.08479	1.6
157.06421	1.1
157.10127	13.8
159.11656	1.1
161.05919	1.1
163.07503	1.5
163.11197	1.7
165.12755	2.9
169.10201	0.7
171.08073	1.3
171.11649	1.6
173.09596	1.0
175.11191	12.7
177.05450	0.9
181.10283	0.7
184.07346	1.5
185.09615	0.8
187.11334	0.8
189.11200	2.1
189.12798	1.5
193.12244	32.4
195.11639	1.3
197.13272	0.8
205.12250	0.9
211.11310	0.9
211.13261	16.5
212.09111	0.9
212.13747	0.7
213.12846	0.8
215.05782	0.7
219.13895	1.2
225.12885	1.0
229.14392	1.0
231.06386	0.7
231.13983	0.7
233.15329	1.0
237.12752	0.9
243.13881	1.1
244.38870	0.7
249.14793	2.0
255.13768	1.9
259.15277	0.8
267.08624	2.2
267.15918	100.0
268.16122	1.6
269.09222	1.0
273.14795	3.8
280.62289	0.7
285.10123	0.9
285.16940	14.3
309.17114	1.1
339.23074	1.5
341.20822	1.0
349.21442	2.8
367.22678	8.7
385.23700	12.1
403.24710	2.7
403.29730	0.7
415.24741	1.7
433.25897	13.0
441.26401	6.7
459.27420	67.8
460.27264	1.2
477.28497	44.8
495.29507	1.5
501.28256	0.9
519.29510	1.1
542.97485	0.8
710.38477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29232	2.9
54.04814	3.3
55.01880	5.3
55.05517	23.0
57.03430	11.6
57.07079	3.8
61.02928	5.3
65.03967	3.6
67.05505	65.6
69.03426	8.0
69.07059	12.3
71.05000	26.2
71.55524	3.1
79.05497	32.7
81.03416	51.7
81.07060	100.0
83.04989	22.1
83.08627	30.3
85.02910	23.9
85.06529	8.7
91.04919	3.8
91.05486	51.2
93.07045	33.9
95.04967	22.3
95.08620	18.0
97.02901	7.3
97.06517	7.6
97.10155	8.5
99.08066	3.2
105.07034	29.7
107.04948	6.7
107.08600	28.7
109.02891	3.4
109.06523	8.7
109.10184	14.9
111.04485	5.6
111.08070	9.9
114.95573	3.0
117.07017	4.1
119.08585	19.4
121.06524	4.4
121.10125	14.2
123.11690	15.9
125.09622	5.5
129.07005	10.7
131.08578	16.0
133.06499	3.9
133.10139	30.7
135.11665	5.6
147.11708	14.5
149.09650	4.7
149.13257	9.1
151.11223	9.9
157.10191	15.7
159.11713	7.6
163.11214	3.7
164.15062	3.0
165.12619	3.3
173.97116	2.8
175.11195	11.5
187.13387	5.1
193.12247	31.9
195.13820	4.7
211.13287	35.6
225.14706	3.2
226.36043	3.0
229.14313	5.2
243.15982	4.4
264.15524	3.4
267.15924	26.0
269.17456	15.9
275.20044	5.0
285.17050	19.4
301.20035	21.4
349.23810	21.4
435.27487	25.6
443.27731	6.5
453.28513	64.6
461.29050	68.4
467.30151	10.9
479.30133	58.6
511.33170	51.0
630.14697	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	708.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01865	1.9
55.05518	6.3
57.03440	8.6
57.07072	0.8
61.02915	1.2
67.05508	22.4
68.60783	0.6
69.03423	1.6
69.07072	9.3
71.01344	0.7
71.04980	2.2
73.02889	1.2
74.01735	0.6
79.05495	15.8
81.03423	36.6
81.07061	28.8
83.04975	4.0
83.08627	12.6
85.02918	1.2
85.06543	1.9
91.05489	11.8
93.06484	1.3
93.07050	22.1
95.04969	10.7
95.08611	8.7
97.02884	1.3
97.06533	6.1
97.10154	1.0
99.08090	1.7
105.03404	0.7
105.04554	0.8
105.07033	7.8
107.04921	3.1
107.08600	12.2
109.06517	2.4
109.10152	2.2
111.04430	0.7
111.08088	6.3
115.05462	0.9
117.07000	4.3
119.08574	6.3
121.06511	2.3
121.10154	9.6
123.08107	0.9
123.11723	1.0
125.09630	1.3
129.07016	4.1
131.08551	5.9
133.06503	1.4
133.10147	5.1
135.08095	1.0
135.11716	4.9
142.07726	1.0
145.10133	1.1
147.04393	1.0
147.08072	1.4
147.11647	4.0
149.09610	1.6
149.13278	10.5
151.11209	0.6
157.10139	4.8
159.11684	3.2
165.12822	1.2
175.11162	3.7
177.12775	2.8
193.12222	9.1
193.60611	0.7
195.13765	3.5
229.73230	0.9
247.42944	0.8
249.14873	1.0
262.74976	0.7
267.15933	41.0
269.17487	47.8
285.10089	0.9
347.17700	0.7
349.23822	1.6
369.24255	0.9
417.26367	1.5
435.27600	4.1
443.28204	1.9
461.29016	100.0
462.29358	2.8
479.30170	2.3
503.30185	1.4
511.32867	1.0
549.54156	0.7
573.56610	0.8
578.61584	0.8
589.43768	0.7
605.33795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.4
55.01631	1.0
55.01876	17.8
55.05511	34.2
55.27257	0.8
56.08088	0.8
56.96574	1.0
57.03151	1.1
57.03439	28.1
57.07077	4.0
59.04992	3.2
61.02924	8.4
65.03930	3.8
67.05507	53.3
69.03428	12.5
69.06718	1.4
69.07067	16.3
71.01333	1.4
71.04990	7.5
73.02924	8.3
75.69688	0.9
79.05495	50.0
80.06283	1.3
81.03419	90.5
81.07059	48.1
82.03750	1.3
82.04189	4.3
83.04981	28.3
83.08620	34.6
84.02103	1.4
84.05788	1.6
85.02906	36.1
85.06542	4.4
87.04482	1.0
91.03944	2.9
91.05483	52.1
93.07045	34.5
94.04163	1.0
94.07850	0.9
95.04971	44.8
95.08603	19.1
97.02886	12.0
97.06537	11.8
97.10169	19.1
98.07314	5.7
98.97660	0.8
99.04452	1.6
99.08128	2.2
101.05998	1.3
103.03947	1.0
103.05460	2.4
105.03381	1.0
105.04514	1.2
105.07032	32.5
107.04962	15.0
107.08596	21.5
108.05677	1.1
109.02876	1.7
109.06539	8.0
109.10164	15.4
109.10901	0.6
111.04459	7.1
111.07367	1.5
111.08083	19.1
113.06008	3.9
115.05449	1.7
115.07542	0.9
116.04716	16.0
117.07029	5.8
119.08588	29.8
121.02854	0.8
121.06538	5.0
121.10146	15.7
123.04411	1.2
123.08054	8.3
123.11693	2.2
125.09630	20.7
125.10536	1.1
127.03894	1.4
127.07513	1.4
127.11195	1.5
128.06171	1.1
129.05487	32.7
129.06990	17.5
131.08571	21.4
133.06506	4.6
133.10130	20.0
135.04396	1.0
135.08055	3.9
135.11674	7.4
136.08775	0.9
137.09619	4.4
139.07529	1.4
141.06967	1.0
142.07768	3.3
143.07068	6.8
143.08018	1.0
143.08565	0.9
143.10649	1.8
145.06473	0.9
145.10120	7.4
147.04358	1.4
147.08049	6.2
147.11694	22.6
149.09610	9.9
151.11212	1.1
153.09131	1.8
153.12732	3.8
155.08472	1.4
155.10774	0.9
157.08601	15.8
157.10114	22.3
158.05743	1.8
163.11206	9.3
164.11951	1.1
165.12767	5.6
167.06984	0.9
171.06549	2.5
171.10202	5.6
173.09567	1.6
173.11789	4.5
173.13057	0.9
174.87163	0.8
175.11194	21.8
181.12265	3.6
185.08075	1.4
185.11749	2.2
189.11230	9.8
191.10709	3.9
193.12247	73.8
199.09647	1.7
199.13306	17.7
199.15007	1.6
200.13995	2.6
201.14871	1.0
209.11736	12.0
210.12524	1.7
211.13293	100.0
212.13611	1.3
219.13829	1.0
227.12759	16.8
229.14378	5.6
245.13771	0.9
247.13327	4.8
249.14876	2.2
255.15868	3.4
265.14206	1.4
267.08899	1.3
267.15936	32.5
268.16324	1.0
269.17468	1.3
283.15472	11.3
284.16074	2.0
285.16959	69.2
301.16461	76.6
302.16840	2.0
321.16940	1.6
339.17947	2.2
367.21893	1.1
385.23135	1.0
391.24332	0.9
409.25861	4.9
421.25778	2.5
427.27063	4.2
439.26907	16.8
447.27295	0.9
458.26630	1.1
459.27197	3.6
465.27921	0.9
466.55646	0.8
475.26672	3.9
476.27670	3.3
477.28320	3.3
485.87598	0.8
493.27982	18.7
494.28473	5.4
511.29047	70.5
512.29572	1.9
708.37592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.6
53.03945	8.5
55.01864	12.8
55.05513	40.0
57.03186	2.2
57.03441	26.7
61.02929	6.3
63.03382	1.4
65.03940	4.1
67.05508	69.4
68.05856	1.6
69.03439	10.8
69.07074	16.5
69.38936	11.0
70.24546	1.5
71.01346	4.6
71.04985	8.1
73.02921	3.7
73.52031	1.2
77.03929	1.5
78.53075	1.3
79.05495	68.8
81.03421	100.0
81.06581	2.8
81.07061	58.0
83.04986	40.1
83.08621	31.0
83.73013	1.3
85.02914	29.8
85.06551	5.8
91.03976	2.7
91.05485	62.8
93.07048	45.9
93.95992	1.4
95.04972	35.6
95.08614	30.0
97.02898	22.7
97.06539	13.2
97.10172	15.8
98.21518	3.1
99.04454	2.2
99.08115	2.9
103.05447	1.7
105.04557	1.5
105.07033	38.1
106.07346	1.5
107.04964	42.0
107.08596	30.5
109.02875	3.0
109.06531	9.2
109.10165	27.0
111.04475	13.7
111.08088	15.4
113.06010	2.6
115.05443	3.8
117.07008	12.1
119.04940	2.3
119.08582	34.3
121.06503	7.1
121.10145	20.8
123.04436	2.2
123.08059	5.6
123.11739	2.9
125.05949	1.9
125.09648	8.6
127.03941	3.0
129.05508	2.4
129.07010	19.4
130.07735	1.7
131.04951	3.3
131.08568	21.4
133.06544	4.0
133.10132	23.4
135.08072	3.0
135.11710	20.6
137.09595	4.5
142.07797	3.0
145.06499	2.5
145.10138	23.1
147.04407	1.7
147.08070	5.9
147.11681	20.2
149.09627	10.8
153.12749	26.8
155.08549	3.0
155.10597	1.9
157.10146	17.6
159.11646	2.5
163.11188	44.7
165.09161	1.4
165.12755	3.8
169.39128	1.4
173.09639	7.4
173.11769	8.2
175.11201	18.5
181.12256	16.1
189.11107	2.2
191.10677	15.6
193.12253	61.2
199.13330	6.3
209.11728	19.0
211.13303	67.4
214.18073	2.2
227.12784	27.8
229.14369	14.9
247.13411	2.0
255.15813	2.3
265.14417	13.5
267.09027	1.8
267.15912	35.4
275.20190	2.4
283.15417	39.1
285.10129	4.0
285.16968	41.6
301.16495	4.2
325.03387	1.4
349.23801	9.8
383.22052	2.1
390.89633	1.7
409.26196	3.4
421.25784	14.8
427.27094	2.2
439.26981	40.5
457.25836	4.1
475.26865	4.5
477.28464	1.8
488.22116	1.5
493.27945	21.0
511.28833	9.0
535.28473	1.5
708.35669	2.5
714.95801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.0
55.01865	7.3
55.05268	2.2
55.05516	32.8
57.03433	20.3
57.07072	4.0
61.02929	2.4
64.97942	1.5
65.03944	5.2
67.05510	71.5
68.94501	1.7
69.03437	22.9
69.07069	21.0
69.78399	8.4
71.05009	8.0
73.02913	2.2
79.05498	59.7
81.03423	100.0
81.07059	84.0
83.04984	37.7
83.08623	28.9
85.02915	23.3
85.06546	4.5
91.05489	53.3
93.07050	58.0
95.04980	30.6
95.08613	55.1
95.09237	1.7
97.02904	24.3
97.06538	8.8
97.10166	6.2
99.04448	7.2
99.08119	2.2
105.07035	37.1
107.04986	9.1
107.08608	32.9
109.02895	11.8
109.06519	9.1
109.10159	22.7
111.04464	16.7
111.08089	12.5
113.06001	3.1
115.05420	3.7
117.07035	12.3
119.04924	1.6
119.08596	36.0
121.06469	2.2
121.10147	33.4
123.08075	5.4
123.11732	9.1
125.09637	5.0
127.03932	10.1
128.06255	2.2
129.05518	8.3
129.07022	15.1
131.08575	24.9
133.06511	4.2
133.10118	18.3
135.08009	2.3
135.11711	17.0
135.18120	1.4
137.09641	4.8
142.07776	3.0
143.08563	5.3
145.10130	14.4
147.08057	3.4
147.11702	24.7
149.09648	7.8
149.13261	6.9
153.12764	4.3
155.08560	2.4
157.10149	16.4
159.11681	7.3
161.09732	2.1
161.13261	7.2
163.11214	7.0
163.14841	3.4
165.12776	4.9
169.10124	3.6
171.07976	1.9
171.11674	4.2
173.09689	1.8
173.13260	8.3
175.11171	15.8
181.12265	4.8
183.11659	3.8
184.07323	3.0
185.13347	3.1
187.14842	2.5
189.11232	3.0
191.10634	5.7
193.12260	46.2
194.12598	2.1
195.11584	1.8
199.14813	2.3
209.11708	2.0
209.13402	1.7
211.13292	64.0
211.15291	3.2
215.14410	2.0
227.12753	10.6
229.14403	6.0
243.21068	3.5
249.14967	3.1
261.22205	9.8
267.15958	14.6
283.15555	3.0
285.16971	24.9
301.21661	2.5
303.23318	2.0
315.23047	1.6
317.24890	2.9
327.23264	1.9
335.25861	68.0
337.16342	2.0
337.27322	5.5
341.24634	3.2
351.23154	2.6
355.17538	5.8
369.24207	6.3
387.25211	3.0
405.26227	2.5
411.19995	2.9
429.21188	17.9
429.26526	2.4
443.28198	3.1
453.33371	2.4
461.29221	2.1
479.29883	2.2
517.38477	1.6
527.37274	13.2
545.38416	69.0
546.38739	3.8
563.39355	2.1
607.25153	1.7
653.39996	3.5
671.41241	5.2
689.42578	35.0
690.41931	2.7
707.43915	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	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01863	0.9
55.05510	3.8
56.05021	0.9
57.03440	2.1
57.07065	0.6
58.06610	0.4
60.07892	0.4
60.08166	6.3
61.08487	0.6
63.44593	0.3
65.03935	0.8
67.05177	0.4
67.05508	7.3
68.24611	0.3
69.03421	2.5
69.06790	0.2
69.07073	2.5
71.04977	1.2
71.07377	3.2
71.57779	0.4
76.92709	0.3
79.05069	0.5
79.05496	7.1
81.03420	12.0
81.06582	0.5
81.07059	9.8
83.04980	4.5
83.08614	3.5
84.26145	0.3
85.02899	2.7
86.09709	31.0
87.04487	1.4
87.09465	0.4
87.10030	4.3
91.05485	6.1
91.06006	0.3
93.07051	6.3
95.04978	3.8
95.08612	5.5
97.02897	2.5
97.06516	1.2
97.10152	1.1
98.98468	3.4
99.04461	0.6
99.08102	0.3
103.05460	0.3
104.10741	2.3
105.04558	0.4
105.07035	4.8
107.04948	1.2
107.08590	4.1
109.02866	1.1
109.06538	0.7
109.10159	2.4
111.04427	1.9
111.08112	1.9
117.07016	1.3
119.08587	3.6
121.06490	0.5
121.10140	3.1
123.04366	0.3
123.08079	0.6
123.11715	1.1
125.00009	23.2
125.09606	0.4
126.00356	1.7
127.03907	0.8
129.05469	1.2
129.07025	1.8
131.08559	2.9
133.06483	0.6
133.10136	2.1
135.08038	0.5
135.11702	1.7
137.13249	0.5
142.07788	0.5
143.08476	0.3
145.06479	0.4
145.10136	2.0
147.08038	0.6
147.11688	2.6
149.09653	0.8
149.13254	0.6
153.12724	0.5
155.01877	0.3
155.08592	0.3
157.10123	1.3
159.11688	0.9
161.13284	0.7
163.11143	0.7
163.14806	0.4
165.12730	0.5
171.11676	0.4
173.13263	0.8
175.11240	1.5
181.12233	0.7
184.07346	100.0
185.07695	15.6
185.09082	0.2
191.10649	0.7
193.12253	4.8
209.11769	0.4
211.11322	0.6
211.13298	8.8
211.15279	0.5
227.12758	1.0
229.14316	0.8
243.21280	0.4
261.21997	1.5
267.15836	1.6
283.15555	0.6
285.16968	2.7
317.24341	0.4
327.23645	0.3
335.25809	7.8
337.16623	0.3
337.27274	0.7
351.22971	0.4
355.17755	0.6
369.24265	0.8
387.24673	0.6
393.18796	0.3
410.89532	0.3
429.21283	1.9
461.28671	0.3
527.37683	1.5
545.38379	8.2
653.40973	0.8
671.41028	0.5
689.42657	3.4
707.46313	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	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.9
53.03952	8.0
55.01878	9.6
55.05515	29.8
57.03186	2.1
57.03437	15.6
57.07079	2.8
58.50817	1.5
60.19898	1.7
61.02919	1.7
62.75376	1.5
65.03946	3.4
67.05509	74.8
69.03434	22.1
69.07069	20.1
69.42138	1.5
71.01372	2.0
71.05006	11.0
73.02913	1.8
79.05498	55.3
81.03421	100.0
81.07059	76.7
83.04985	32.3
83.08624	30.4
85.02905	19.0
85.06536	3.0
85.79271	1.9
87.04462	2.1
91.05486	51.1
93.07052	54.2
95.04976	35.3
95.08610	50.9
97.02891	19.9
97.06544	7.0
97.10187	8.5
98.21517	4.3
99.04449	5.1
99.08089	2.4
101.02399	1.7
105.04527	2.5
105.07042	40.4
107.04979	9.6
107.08598	30.7
109.02902	9.2
109.06524	7.1
109.10171	22.2
109.43873	1.5
111.04443	17.0
111.08118	10.7
113.05981	3.3
115.05464	2.9
117.07028	15.8
119.08582	35.9
121.06514	6.3
121.10148	25.5
123.04430	2.1
123.08094	3.8
123.11697	9.2
125.06017	2.0
125.09637	3.4
127.03925	9.6
128.06248	2.8
129.05515	8.2
129.07008	16.0
131.08578	24.4
133.06509	5.6
133.10156	19.9
135.08083	3.5
135.11725	13.5
137.09633	4.2
137.13202	2.0
141.07018	3.7
142.07732	3.7
143.08565	7.6
145.06494	3.5
145.10112	16.5
147.08044	5.0
147.11679	20.8
149.09627	8.4
149.13264	7.9
151.11255	2.3
153.12772	5.8
155.08585	4.2
157.06532	3.6
157.10153	13.2
159.08061	2.5
159.11681	9.7
161.13292	6.1
163.11197	7.0
163.14836	3.3
165.12817	4.3
167.08586	2.6
169.10172	4.9
171.08006	1.9
171.11674	5.2
173.09634	4.2
173.11935	1.9
173.13257	7.7
175.11185	13.7
175.14908	2.7
181.10101	1.9
181.12259	6.8
183.11717	3.5
185.13249	5.5
187.14833	4.2
189.11247	2.5
189.12852	2.0
191.10699	5.6
193.12251	41.5
195.14005	1.6
197.13292	3.4
199.14867	1.9
211.13277	56.0
215.14490	1.9
227.12756	9.9
229.14349	5.7
243.21114	3.6
249.14861	3.0
259.13324	1.8
259.20587	1.9
261.22076	8.3
267.15900	16.2
277.21655	2.8
279.23285	2.0
283.15491	5.3
285.16919	20.8
301.21722	3.3
301.25214	2.5
303.23260	3.6
311.75098	1.9
327.23178	2.5
335.25824	30.9
337.27399	4.0
341.24921	3.0
345.24643	1.9
351.23209	3.5
355.17581	4.8
369.24268	7.2
387.25369	5.4
405.26306	3.1
411.19946	2.7
427.19568	2.6
427.76572	2.1
429.21255	11.8
435.32687	4.4
443.28055	3.4
453.33386	2.4
461.29190	3.7
477.64160	1.9
479.29871	4.2
527.37299	11.0
527.83850	1.6
545.38367	47.0
546.37927	2.6
569.38092	3.3
635.39343	3.3
653.40265	11.5
671.41742	9.8
689.42517	26.0
707.40643	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.5
51.39645	1.6
53.03950	8.6
55.01862	6.9
55.05514	25.2
55.18376	1.6
57.03445	12.1
57.07077	14.2
61.02914	2.1
65.03938	3.4
67.05511	67.1
69.03429	21.5
69.06779	1.9
69.07070	20.3
69.84142	9.4
71.04983	7.6
79.05495	49.8
79.06579	1.9
81.03424	83.6
81.07060	68.0
83.04990	30.9
83.08620	25.4
85.02910	18.6
85.06555	3.5
85.87390	2.0
87.04475	100.0
88.04811	10.1
89.06039	3.4
91.05484	53.0
93.07049	54.3
93.07635	3.2
95.04978	26.4
95.08611	43.2
95.10668	1.7
97.02900	16.4
97.06532	7.0
97.10178	8.5
99.04460	4.2
99.08118	2.7
99.75070	1.8
103.05463	3.5
105.07037	39.8
107.04976	11.3
107.08597	27.9
109.02872	10.8
109.06526	7.6
109.10164	17.9
111.04440	11.4
111.08086	12.0
113.06044	2.2
117.07018	13.5
119.08601	30.3
121.06535	8.2
121.10146	22.8
121.49944	1.7
123.08073	4.6
123.11721	7.5
125.05999	2.2
125.09647	4.9
127.03919	7.3
127.07562	1.6
129.05478	6.1
129.07021	13.2
131.04915	1.8
131.07043	3.4
131.08575	24.5
133.06509	5.1
133.10130	18.6
135.08095	3.0
135.11726	14.2
137.09613	2.7
137.13222	3.0
139.11157	2.8
141.06993	2.1
142.07784	3.6
143.08571	6.2
145.06587	2.8
145.10149	16.5
147.08052	6.2
147.11696	22.4
149.09595	9.4
149.13272	7.6
153.12766	4.8
155.08565	4.2
157.10155	18.6
159.08037	2.3
159.11726	9.9
161.09718	2.7
161.13246	5.2
163.11205	7.8
163.14879	2.8
165.12762	5.6
169.10143	5.9
171.08041	2.1
171.11707	4.2
173.13249	5.4
175.11171	13.9
175.14755	1.8
175.48431	1.8
181.10193	3.4
181.12114	4.4
183.11713	4.2
184.07318	4.3
185.13358	3.4
187.14859	2.9
191.10655	6.5
193.12263	34.5
197.13286	4.2
199.14893	2.6
211.13304	53.4
211.15279	2.8
221.13330	2.0
227.12767	8.5
229.14377	6.4
233.18849	2.5
234.19325	2.2
243.21297	2.1
249.15001	2.1
259.20563	2.0
261.22168	8.4
267.15924	16.1
277.21561	6.2
278.21967	3.0
283.15451	3.3
285.16983	25.0
285.21765	2.0
294.15094	1.9
301.21741	2.9
303.23145	2.9
312.39993	1.8
317.24783	3.1
335.25790	28.3
337.27454	5.3
351.23157	2.3
353.16101	2.0
359.25485	2.1
369.24228	6.4
387.25214	6.0
405.26382	3.4
429.21222	12.0
435.32513	3.5
443.27725	3.8
453.33444	2.4
461.28760	4.1
464.03491	1.7
479.30182	2.6
488.64920	1.7
527.37433	18.3
545.30554	3.1
545.38416	52.0
563.39154	2.3
653.40204	6.0
671.41711	9.5
689.42572	26.4
690.41888	2.2
707.47797	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	707.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46341	0.6
55.05506	0.6
67.05497	1.9
69.03421	0.7
70.18509	0.5
79.05484	1.5
80.63029	0.5
81.07054	2.2
86.09710	1.6
87.04469	1.7
91.05492	1.3
93.07055	0.9
95.08617	1.1
105.07018	0.8
107.08559	0.5
109.10173	1.0
117.07043	0.6
121.10144	0.6
124.99981	1.4
131.08589	0.7
184.07309	4.9
189.49799	0.5
229.07332	0.8
234.50110	0.5
359.01474	0.5
535.26758	1.7
535.35675	0.6
707.37683	100.0
708.38092	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	707.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22570	0.8
55.05506	1.2
55.75211	0.8
56.30660	0.7
67.05521	1.9
69.07063	1.4
71.88248	0.9
79.05493	1.5
81.03426	1.3
81.07050	2.4
86.09712	2.6
87.03069	0.8
87.04455	2.6
91.05458	2.3
93.07057	1.9
95.08594	1.8
95.17609	0.8
98.21522	2.0
105.07030	1.4
107.08583	1.4
119.08615	1.0
133.10141	1.4
149.13316	0.8
184.07321	6.7
185.07724	1.9
218.72617	0.9
227.16241	0.7
237.02046	0.7
250.46605	0.7
311.25772	0.7
335.25516	1.0
383.79242	0.7
535.36536	1.0
707.37616	100.0
707.47430	3.6
708.38507	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	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.7
55.01873	8.2
55.05513	33.2
57.03443	19.3
57.07056	3.4
59.81952	1.6
64.86338	1.7
65.03945	5.4
67.05510	86.8
69.03431	26.3
69.07071	21.7
71.01347	1.6
71.04994	10.9
71.29001	1.4
73.02885	2.0
78.94209	1.5
79.05502	66.3
81.03424	100.0
81.07062	85.0
83.04984	38.7
83.08146	2.3
83.08622	26.3
85.02911	23.0
85.06525	3.3
87.04498	1.7
91.05488	58.1
93.07051	65.6
95.04977	29.8
95.08614	50.0
97.02895	25.3
97.06542	10.4
97.10188	8.2
99.04430	5.6
99.08114	3.2
103.05486	1.9
105.04501	2.6
105.07042	46.7
107.04971	7.6
107.08606	38.2
109.02878	14.3
109.06509	6.0
109.10158	24.6
111.04456	21.1
111.08074	10.9
112.11741	1.6
113.06087	2.6
115.05441	2.8
117.07017	11.8
119.04971	2.6
119.08599	33.9
119.09457	2.9
121.06532	3.8
121.10156	33.4
123.04454	1.5
123.08052	2.8
123.11686	7.5
125.09559	3.6
127.03918	11.1
128.06128	2.2
129.05540	10.5
129.07014	15.0
130.07660	1.5
131.08575	27.4
133.06465	5.0
133.10150	20.1
135.08073	3.1
135.11700	17.3
137.09624	3.2
137.13260	3.6
142.07832	3.4
143.08565	6.7
145.06418	2.3
145.10123	15.7
146.46513	1.6
147.08060	5.5
147.11703	22.6
149.09630	7.6
149.13269	7.4
151.11163	1.7
153.12709	4.8
155.08490	3.2
157.10144	16.4
159.08058	2.0
159.11705	11.0
161.09589	2.4
161.13261	5.0
163.11153	8.5
163.14819	3.3
165.12740	2.9
167.07240	1.6
169.10106	3.5
171.11684	3.7
173.09608	3.2
173.13242	7.3
175.11198	14.5
175.14845	2.2
181.12248	7.3
183.11658	3.1
185.09520	1.8
185.13324	3.2
187.14886	3.5
191.10675	6.8
193.12274	48.8
197.13281	2.7
209.11646	2.2
211.13298	71.9
211.15297	3.6
227.12711	11.3
229.14375	5.5
243.20981	2.7
247.50583	1.7
249.14819	2.6
259.20584	1.9
261.22180	10.4
267.15936	12.1
271.20651	1.8
283.15436	4.5
285.16971	21.3
301.21521	1.8
301.24957	1.7
303.23218	2.5
315.23148	1.6
317.24701	4.1
335.25821	67.2
337.27390	7.3
338.83215	1.7
355.17697	3.8
369.24173	8.0
378.32593	1.6
383.66507	1.6
387.25378	5.4
405.26331	1.9
411.20303	1.9
427.19727	2.4
429.21255	19.7
435.32397	1.8
443.28143	3.0
461.28952	2.1
479.30185	2.7
509.35953	2.3
527.37305	14.9
536.52533	1.9
545.38385	73.0
546.38397	2.8
653.40564	3.7
671.41400	6.2
689.42645	26.8
707.42780	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	706.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05035	0.6
57.03447	0.1
57.07073	0.3
58.06337	0.2
58.06639	0.4
60.08164	6.0
67.05504	0.3
69.03441	0.1
69.07061	0.2
70.68556	0.1
70.68905	0.3
71.04993	0.1
71.07374	2.9
71.08630	0.2
79.05492	0.3
80.97471	0.1
81.03413	0.3
81.07071	0.5
83.04974	0.2
83.08607	0.2
84.08128	0.1
85.02898	0.1
86.09705	29.2
87.04468	0.7
87.10059	0.2
91.05500	0.4
93.07032	0.3
95.04958	0.1
95.08588	0.3
98.98463	2.6
104.10741	2.4
105.07024	0.2
107.08622	0.2
109.10145	0.1
119.08566	0.2
125.00005	19.6
129.07033	0.2
131.08598	0.1
132.82719	0.1
133.10173	0.1
135.11818	0.1
143.01030	0.2
143.61809	0.1
147.11705	0.1
166.02625	0.1
175.11188	0.1
184.07338	100.0
185.07764	0.5
191.10771	0.1
193.12242	0.2
211.13354	0.2
217.60493	0.1
269.18887	0.1
323.53476	0.1
335.25934	0.2
478.32562	0.1
543.34686	0.3
544.35449	1.0
545.38062	0.2
560.30853	0.1
578.50330	0.1
706.40039	4.4
706.45728	6.6
707.45874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88719	0.4
57.03431	0.6
69.03415	0.9
70.62690	0.4
71.53832	0.5
82.24049	0.4
82.99885	1.4
85.02918	1.6
97.02886	1.2
98.97596	0.6
101.00882	6.7
101.01505	0.7
113.00871	1.1
119.01913	6.9
119.65667	0.4
122.01394	2.0
122.51488	0.8
124.02470	0.4
127.02412	2.4
127.03914	1.2
128.01421	1.1
130.71428	0.5
131.01913	5.6
131.51999	0.5
133.03574	0.4
134.01350	0.7
137.01907	2.7
137.02820	0.5
137.96875	0.4
139.02426	0.7
143.01907	20.3
143.51973	0.9
144.01952	0.5
145.03447	6.1
149.01926	1.1
149.52122	0.5
152.02428	1.2
153.03889	0.5
153.23148	0.5
155.01886	11.7
157.03467	3.3
158.02374	0.5
161.02962	11.8
162.99007	0.7
163.04416	0.5
164.02449	1.2
167.01903	10.1
169.03452	2.9
171.05031	1.7
173.02983	15.8
173.53038	0.9
174.03168	0.4
175.04524	0.6
179.01846	4.2
181.03497	0.6
182.03423	0.6
184.02992	0.5
185.02965	33.6
186.03279	0.6
187.04504	3.7
188.03432	0.5
191.04034	0.9
193.03542	0.9
194.03593	0.7
197.02985	13.2
199.04478	0.7
203.03937	10.1
203.54085	1.1
209.03000	1.2
212.04686	0.6
215.03998	8.0
221.05092	0.8
224.04538	0.7
227.04007	9.1
239.04245	0.5
245.05084	100.0
246.05194	1.8
254.05713	0.4
257.05099	6.2
259.59958	0.4
263.06149	11.4
264.06332	0.6
265.02179	0.4
274.06052	0.7
275.06149	13.5
275.21994	0.4
283.06723	0.9
283.57114	1.0
284.06674	3.8
284.56787	1.9
293.07175	3.3
303.52914	0.6
305.07193	13.0
317.07187	1.1
319.83429	0.4
335.08279	4.2
347.08151	0.8
364.09460	2.4
364.59769	2.1
365.09335	46.1
365.59445	1.5
366.09619	1.7
383.10440	2.5
407.10486	0.9
425.11432	42.0
426.11673	1.2
437.11499	2.7
455.12506	3.9
485.13278	1.2
619.18927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03440	0.7
59.58140	0.5
61.65888	0.6
69.03411	0.7
69.40803	3.0
69.41215	0.8
73.02925	0.5
79.00452	0.5
81.03440	0.7
82.99895	1.4
85.02918	2.4
97.02920	0.8
98.21539	1.0
98.97633	0.6
101.00259	0.8
101.00876	5.9
109.02945	0.7
113.00872	1.2
116.32957	0.5
119.01924	8.5
122.01395	1.2
125.77094	0.5
127.02402	1.6
127.03942	1.3
128.01410	0.6
131.01897	4.1
137.01904	1.3
137.02905	0.8
143.01907	17.8
145.03473	6.4
147.01427	1.0
152.02432	1.2
153.03960	1.0
155.01903	10.1
157.03505	3.2
161.02965	13.3
162.98979	0.8
163.04544	0.9
167.01913	8.3
169.03458	2.4
171.05046	1.8
173.02985	17.1
175.04529	0.8
179.01906	2.7
181.03528	1.0
185.02943	33.0
187.04553	3.2
191.03947	1.5
193.03523	1.0
194.03564	1.2
197.02956	13.1
199.04446	0.8
202.04153	0.8
203.03661	7.8
203.05365	5.2
208.04559	0.9
209.02928	1.0
215.04024	7.7
221.05095	1.2
227.04025	8.7
233.05164	0.5
239.04005	1.0
245.05093	100.0
246.05249	1.8
250.93263	0.6
254.05641	1.0
257.05161	5.2
263.06177	10.7
265.01990	0.7
270.17758	0.5
275.06131	11.1
281.07138	0.8
281.57275	0.6
283.06638	1.6
283.56915	0.7
284.06668	2.6
286.07867	0.8
293.07205	3.6
305.07217	12.3
317.06985	0.7
319.29358	0.5
335.08221	2.7
347.08316	0.9
362.09705	1.0
363.09778	0.8
364.09509	2.8
364.59570	2.2
365.09668	51.2
365.59448	0.9
366.09634	0.9
383.10175	1.8
407.10333	0.7
425.11423	41.3
426.11450	0.8
437.11252	2.2
455.12631	3.4
485.13385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44069	0.7
55.01866	2.2
55.05509	10.1
57.03198	0.9
57.03440	10.6
57.07065	0.9
61.02929	0.8
61.73460	0.6
65.03937	0.7
66.50396	0.8
67.05508	17.4
69.03425	3.5
69.07074	4.4
69.19062	1.2
69.19460	7.1
71.04989	2.3
79.05071	1.3
79.05498	18.4
81.03420	79.7
81.07059	19.1
83.04986	9.5
83.08151	1.4
83.08621	21.2
85.02909	12.2
85.06554	1.7
90.05545	1.0
91.05483	23.7
93.06483	0.9
93.07050	13.7
95.04368	1.5
95.04974	27.4
95.08607	8.8
95.94254	0.7
97.02895	3.7
97.06512	3.0
97.10175	5.0
105.03381	1.4
105.07036	19.4
107.04961	7.6
107.08583	7.9
109.06506	4.3
109.10162	5.4
111.04450	2.1
111.08088	9.4
113.05971	1.0
115.05444	1.4
115.60471	0.7
117.07049	3.6
119.04969	0.8
119.08588	16.6
121.06506	4.4
121.10148	7.7
123.04462	1.3
123.08047	2.5
123.11639	0.8
125.06024	0.9
125.09638	3.1
128.06207	1.1
129.07002	10.5
131.04941	0.9
131.08568	10.6
133.06488	3.4
133.10139	8.5
135.08080	1.9
135.11682	1.9
137.09619	2.5
142.07793	2.7
143.08557	0.9
145.06473	4.7
145.10109	3.1
147.04436	1.7
147.08041	4.7
147.11691	11.1
149.09660	7.1
151.88033	0.8
155.08543	1.1
157.06491	0.7
157.10135	11.1
159.08012	0.8
159.11711	1.3
161.09673	1.9
163.11179	2.1
165.12761	2.8
171.08078	1.6
173.09621	1.0
175.11201	11.0
176.11407	0.9
185.13301	1.3
189.11177	1.0
189.12788	1.0
193.12250	32.2
195.11693	1.0
205.12294	1.1
211.13277	17.7
214.67085	0.7
220.11816	2.0
227.12646	1.1
229.14345	0.9
235.13306	0.8
237.12631	0.9
249.14865	2.0
255.13869	2.1
267.15924	100.0
268.16241	1.7
271.05875	0.8
273.14822	4.1
281.15576	0.8
285.10275	1.8
285.16943	17.1
337.17712	0.9
339.23483	0.8
341.21121	1.6
349.21671	3.1
357.24213	0.8
364.16788	1.4
367.22623	8.5
372.33459	0.8
373.17203	1.2
385.23621	7.6
401.01901	0.8
403.24728	3.3
405.24234	1.4
433.25836	13.4
441.26126	5.9
459.27414	73.1
460.27539	2.1
477.28510	45.3
478.28452	1.3
706.34729	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14804	0.8
53.03939	3.4
53.56953	0.7
55.01877	3.9
55.05266	1.1
55.05512	15.1
57.03444	5.6
57.07070	1.6
59.05006	0.9
61.02932	9.2
63.08759	0.8
65.03940	2.0
67.05504	28.7
69.03426	10.5
69.07067	8.1
71.04996	4.4
71.39931	0.8
71.40279	0.8
73.02910	5.2
74.59546	0.7
79.05491	20.6
79.07780	0.8
81.03423	23.9
81.07056	23.1
83.04981	7.1
83.08623	10.6
85.02905	10.1
85.06530	2.5
87.04472	0.8
87.16885	0.7
91.03965	4.3
91.05482	23.5
93.07044	22.2
95.04979	10.4
95.08053	1.3
95.08611	15.3
97.02897	11.5
97.06525	2.6
97.10180	7.8
99.04470	2.2
99.08084	1.2
101.02396	0.8
103.05480	1.2
104.10796	1.0
105.07030	22.2
107.04977	3.9
107.08601	12.2
109.02858	3.2
109.06527	3.3
109.10168	9.3
111.04443	2.8
111.08114	4.3
113.06059	0.9
115.05469	2.2
117.07017	13.7
119.08584	16.5
121.06495	3.1
121.10149	9.6
123.04614	0.7
123.08070	2.5
123.11720	2.4
125.09619	5.8
127.03925	2.9
128.06241	2.1
129.05467	2.3
129.07001	11.0
131.08568	17.0
133.06500	2.4
133.10123	13.6
135.08057	3.2
135.11702	4.5
137.09607	2.4
141.06998	2.9
142.07759	2.1
143.08568	9.9
145.06479	2.1
145.10132	13.5
147.08058	3.1
147.11696	11.0
149.02304	0.9
149.09625	3.0
149.13243	3.4
151.11113	1.1
153.07054	1.0
155.08546	4.9
155.10574	1.1
156.09303	0.9
157.10133	10.0
159.08086	2.4
159.11688	8.4
161.09663	2.1
161.13255	5.7
163.11160	4.1
165.06929	0.9
165.12721	1.0
167.08578	3.0
168.09296	1.0
169.10103	7.6
171.08069	1.8
171.11668	7.4
173.04459	3.3
173.09625	3.1
173.13245	5.6
175.11224	3.6
175.14815	2.4
177.12827	1.0
179.08517	1.3
181.10149	5.0
181.12358	1.2
183.11705	6.2
184.07327	2.6
185.09607	1.7
185.13278	5.8
187.11208	2.1
187.13304	0.9
187.14769	2.0
189.11244	2.2
189.12785	0.9
191.10680	1.3
193.10309	1.7
193.12270	7.6
195.11725	4.4
197.13263	3.3
199.11174	1.7
199.14801	3.2
201.12726	1.9
201.16360	1.1
203.14203	1.2
207.11783	1.6
207.13495	0.8
209.09644	1.5
209.13365	3.9
211.11275	1.4
211.13295	8.7
211.14807	1.3
213.12852	2.1
213.16284	1.3
215.14249	0.9
221.13393	1.5
223.14854	1.8
227.12685	4.6
229.14241	1.8
233.15366	1.4
235.14825	1.2
239.14262	0.8
239.18054	1.1
241.19588	3.6
253.15715	0.8
257.19034	1.7
259.20605	9.1
267.15884	3.3
273.18683	1.0
275.20227	1.7
283.20468	2.3
285.16824	3.8
297.22214	2.3
299.20529	1.2
299.23596	3.9
301.21667	1.8
307.24057	0.9
311.23569	0.8
313.21634	1.9
315.23233	1.6
325.21628	1.5
333.24393	6.5
335.25977	1.7
339.18259	0.7
339.23236	2.1
349.21454	0.8
357.24261	1.7
367.22632	2.4
367.84848	0.9
385.23956	1.2
403.24875	1.0
415.29880	1.4
417.26373	1.5
421.25931	2.8
429.21097	3.2
433.31168	5.1
435.27472	3.0
451.32169	8.0
469.33353	3.9
487.33673	1.1
507.34531	2.0
515.36969	1.0
525.35791	24.4
541.34949	1.8
543.36835	100.0
544.37262	2.5
555.36572	1.3
567.36407	1.6
585.37518	2.5
609.37506	1.2
633.37622	1.6
636.30878	0.9
639.37933	1.1
651.39099	4.4
669.39984	5.0
687.41095	11.6
705.33258	2.0
705.42407	16.6
706.42108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.2
51.02385	0.6
53.03710	0.2
53.03947	2.6
55.01875	0.2
57.03420	0.2
61.02922	0.5
64.84834	0.1
65.03941	1.1
67.05515	0.2
68.05015	0.1
69.03429	8.6
69.07043	0.1
71.04958	0.2
71.56877	0.1
77.03921	0.5
78.04715	0.2
78.84186	0.1
79.05503	1.5
80.04565	0.3
80.05020	3.6
81.03421	1.1
81.07069	0.3
82.06577	0.2
83.04984	0.2
83.14815	0.1
85.02906	1.0
87.21491	0.1
90.03436	0.4
91.05464	0.3
92.05010	1.3
93.07066	0.3
95.04976	2.6
95.08611	0.2
97.02895	2.0
98.97566	0.2
99.04448	0.7
101.74284	0.1
105.03394	100.0
106.03692	1.0
107.04957	15.7
107.08601	0.2
108.04486	1.2
109.02881	1.2
109.10166	0.2
110.06013	0.4
116.10671	0.2
119.08504	0.1
120.04496	0.4
123.04442	1.3
124.03921	0.2
126.05502	0.5
127.03916	7.6
131.04922	0.2
136.03943	1.8
137.05959	0.2
138.05492	0.2
143.08603	0.2
145.04956	0.6
147.04399	0.5
154.04994	16.3
161.06099	0.1
161.09624	0.4
166.78966	0.1
171.08034	0.2
172.06055	4.9
189.05508	0.5
191.09108	0.1
196.07593	0.2
215.07037	0.6
231.06519	3.6
244.17317	0.1
249.07594	3.7
260.09232	0.3
267.08636	19.9
268.08987	0.3
278.10260	0.2
287.05545	0.2
316.10065	0.3
334.11270	2.7
420.12842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.1
55.01876	6.2
55.05518	44.3
56.96556	3.1
57.03434	5.5
57.07064	4.9
59.05007	3.2
65.03959	2.8
67.05512	26.4
69.03430	13.5
69.07074	30.2
71.04983	9.6
71.54736	3.0
75.25298	2.2
79.05494	31.0
81.03423	33.0
81.07063	54.8
83.04977	8.6
83.08609	9.7
85.02904	11.1
85.06532	3.6
91.05483	38.9
93.07050	100.0
95.04970	14.9
95.08617	43.5
97.02878	6.9
97.06542	13.3
97.10178	72.9
99.04436	6.3
105.03397	7.8
105.04556	3.9
105.07041	31.8
107.04968	14.5
107.08601	95.5
108.40972	2.4
109.02900	21.2
109.06522	10.7
109.10167	35.3
111.04424	4.9
111.08073	5.1
111.11732	5.2
117.06997	6.6
119.08572	23.3
121.06494	4.3
121.10142	29.5
123.04446	4.3
123.08066	6.1
123.11674	10.8
125.06046	3.1
125.09624	18.4
127.03935	13.6
129.06973	4.6
129.63788	2.5
131.04922	2.9
131.08586	11.6
133.06496	3.2
133.10133	19.6
135.08064	5.9
135.11707	50.6
137.09613	8.1
139.11185	10.4
143.08553	5.0
143.10686	16.4
145.10133	18.4
147.08023	5.5
147.11703	16.4
149.09625	8.3
149.13251	9.1
151.11194	6.2
153.12756	4.9
157.10135	9.6
157.12177	4.6
159.11678	15.6
161.09512	3.0
161.13319	4.3
163.11212	12.3
164.11664	2.5
165.09151	4.2
165.12740	4.6
168.50949	2.4
169.10110	3.0
171.11697	2.6
173.13220	4.3
175.11197	9.2
177.09190	2.4
177.12729	5.5
181.12210	9.7
183.11740	3.3
185.13321	4.0
189.11235	5.5
191.14243	3.2
193.12257	6.1
195.13777	3.2
197.13313	2.5
199.14847	3.9
211.13359	8.6
223.13252	4.1
229.12317	3.5
229.53552	2.3
243.13722	2.8
243.27457	2.5
267.15845	5.8
273.22214	6.0
275.20172	4.8
285.17105	2.6
291.23227	4.4
297.17096	3.7
301.21658	23.7
307.22491	2.9
319.22571	18.0
327.58963	2.8
337.23718	13.8
370.12259	2.8
399.25043	2.8
415.24689	3.6
419.24249	5.0
427.24716	10.1
433.25864	4.2
435.26981	3.2
437.25311	5.4
445.25934	12.7
451.26892	5.3
463.26968	56.4
481.28030	33.0
489.28607	3.2
499.28976	6.0
507.29590	7.9
705.15704	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	703.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
55.05513	1.2
57.03424	0.4
67.05518	3.7
69.03424	0.5
69.07067	1.1
69.89722	1.2
69.90125	1.0
71.86723	0.4
79.05496	1.8
81.03400	1.0
81.07051	2.6
83.08624	0.7
85.02917	0.5
87.80098	0.4
91.05487	1.9
93.07063	1.8
94.46540	0.4
95.05027	0.5
95.08620	1.2
98.21420	0.7
105.07050	1.5
107.08607	1.4
109.10172	1.8
117.07040	0.5
118.25433	0.4
119.08598	1.3
121.10168	0.7
123.11576	0.4
129.07019	0.5
131.08575	0.7
133.10117	0.7
135.11674	0.6
143.08482	0.5
144.08081	0.6
145.10112	0.9
152.63498	0.5
159.11780	0.6
172.07597	0.7
194.09814	0.5
195.09196	0.8
196.09958	1.5
197.07124	0.9
197.10818	1.2
207.09229	1.4
208.09970	1.6
209.10683	5.5
210.11543	1.7
211.08673	1.0
211.12364	1.2
212.09378	0.5
221.10808	1.8
222.11435	3.1
223.08768	0.7
223.12276	5.6
224.09424	0.7
224.13036	4.6
224.14639	0.4
225.06619	1.1
225.13866	4.4
226.14536	0.6
229.14424	1.6
235.08678	0.8
235.12364	1.0
236.09373	0.6
236.13167	1.3
237.10324	2.8
237.13882	13.0
237.16266	0.9
238.14633	5.3
239.08142	3.7
239.15518	1.7
248.13417	0.6
249.13948	0.5
250.11017	1.3
251.08211	0.4
251.11919	1.9
252.12486	2.3
253.09782	0.9
253.13464	1.2
255.11281	1.0
257.09271	0.6
263.08270	1.3
265.10223	0.6
265.13345	8.6
266.14169	3.3
267.07635	4.4
268.12222	0.5
269.09360	1.3
271.10651	0.6
281.09320	1.8
282.13544	0.6
285.08670	0.8
297.12439	1.1
299.10281	2.9
309.08792	1.1
312.14944	0.6
313.12000	0.8
325.15427	3.4
341.11295	6.9
341.14999	0.6
342.12280	0.7
356.14032	0.5
373.14267	0.6
406.18109	0.9
407.18906	1.2
419.14841	0.8
421.16309	1.0
432.16507	0.5
433.16415	0.8
434.17249	0.8
435.17978	0.9
445.16351	0.6
447.18344	1.0
448.18622	0.6
449.19885	1.8
450.20868	0.7
451.21439	0.5
458.17001	0.7
459.17926	0.9
461.15631	0.5
463.17136	0.7
463.22018	0.9
467.20456	0.6
477.19504	2.3
478.20520	1.2
489.19186	0.8
491.20993	2.4
492.21219	0.6
493.22690	0.9
495.23718	0.7
505.22708	0.7
505.35031	0.6
507.20575	0.8
508.21426	0.8
510.85913	0.5
519.19867	0.6
522.23047	0.7
523.23608	3.6
524.24780	0.5
532.21436	0.7
533.21674	1.8
534.20947	0.5
535.19873	0.7
537.22247	1.4
538.25635	0.6
541.33673	1.5
547.23370	1.2
549.23932	0.8
550.22217	1.4
551.22888	4.8
561.21149	0.8
565.24390	3.8
566.25433	3.4
575.22668	0.7
576.21985	0.9
578.22247	0.6
579.21252	0.6
593.23981	7.5
597.23206	0.8
611.25061	3.1
621.23224	1.6
625.25018	3.2
635.25067	1.4
653.26056	100.0
654.26544	2.7
667.27661	0.8
685.16779	0.9
685.28699	14.9
685.39038	0.9
686.29761	0.7
703.38916	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	701.372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
57.10352	0.3
62.04813	0.2
67.05490	0.9
69.37436	2.2
72.09776	0.3
79.05505	0.6
81.07053	0.6
86.06873	0.3
91.05505	0.4
93.07079	0.6
95.08587	0.6
104.32860	0.3
109.10159	0.3
111.62897	0.3
119.08588	0.4
128.98528	0.3
131.08716	0.3
133.03473	0.4
145.10150	0.3
185.04323	0.8
203.05307	1.7
229.14191	0.4
259.07935	1.4
305.08331	0.4
321.22797	0.6
333.17319	0.4
347.09558	1.1
354.52820	0.3
365.10550	3.3
374.88242	0.3
421.13235	1.2
474.93256	0.3
539.31934	18.9
701.37189	100.0
702.37445	3.7
718.23370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01890	4.5
55.05272	3.5
55.05516	50.7
57.03443	13.5
57.07073	5.9
61.02924	4.9
67.05508	58.0
69.03426	7.3
69.07075	17.3
71.54435	2.6
74.86355	1.9
79.05498	37.3
81.03439	2.8
81.07063	53.1
82.07387	1.7
83.04965	5.0
83.08618	30.7
85.02902	5.3
85.06554	3.6
86.09713	4.1
89.06036	2.3
91.03957	2.4
91.05489	15.9
93.07051	31.7
95.04953	3.1
95.08617	34.7
97.02895	2.4
97.06517	2.2
97.10175	67.7
105.07011	10.9
107.08602	35.6
108.13699	1.7
109.06450	1.7
109.10162	20.5
111.08124	2.3
117.07030	5.6
119.08601	7.9
121.10154	15.5
123.11723	5.5
125.00034	2.6
125.09641	62.4
125.10571	3.2
131.08551	3.8
133.10149	7.8
135.08061	7.4
135.11697	11.2
143.10704	3.7
145.10153	5.2
147.11723	3.9
149.13300	5.4
153.09114	3.3
159.11687	4.4
161.13193	4.1
163.14899	3.5
171.10178	4.5
173.13297	4.2
184.07359	6.1
189.11234	41.5
189.16144	2.2
227.10542	4.2
227.12791	72.4
227.20071	8.6
243.21172	5.5
245.13863	100.0
261.22168	27.6
279.23288	4.9
317.24905	3.5
335.25839	90.9
335.29922	4.3
347.20056	1.8
398.90277	2.1
468.37830	3.8
487.34106	7.6
505.35226	71.3
573.48126	2.2
589.04956	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	699.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
57.03440	1.9
61.02927	4.0
67.05506	4.5
69.03439	2.6
69.07066	1.5
70.87315	1.8
71.01357	0.6
71.04996	1.2
73.02917	2.0
79.05486	3.7
81.03427	4.5
81.07068	4.3
83.04990	1.0
83.08647	0.9
85.02911	3.8
91.03966	1.9
91.05473	3.2
93.07056	4.5
95.05003	1.0
95.08607	1.8
97.02352	0.6
97.02870	3.1
97.06553	2.0
97.10232	0.7
101.02407	1.0
105.03399	0.8
105.07050	2.0
107.04972	1.5
107.08614	2.4
109.02933	0.9
109.10175	0.8
111.08138	0.9
117.07060	0.7
119.08622	2.3
121.10161	1.9
123.04400	1.2
127.03928	1.8
129.07030	0.9
131.08603	1.7
133.10132	1.7
135.08061	0.8
135.11723	3.6
137.06035	0.7
145.10165	0.8
147.11728	0.9
149.09633	1.7
157.10175	0.8
163.11200	1.1
166.15640	0.6
203.05510	0.7
211.13266	0.7
221.11415	0.6
222.93394	0.6
225.14967	1.0
243.08437	2.9
267.09189	0.7
267.15808	0.6
267.68097	0.6
271.06116	3.2
283.15179	3.1
313.29062	0.7
339.17752	1.0
361.96835	0.6
439.19482	9.5
443.03101	0.6
469.21506	0.7
501.23120	9.9
681.34589	1.1
699.35583	100.0
700.35968	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	700.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.4
53.72487	0.3
55.05517	4.8
57.03442	3.8
57.07079	37.2
57.80813	0.4
61.02929	12.7
67.05507	12.3
69.03437	2.0
69.06734	0.4
69.07072	7.9
71.05000	0.5
71.08634	34.5
72.08965	0.3
73.02558	0.2
73.02918	4.9
73.61535	0.3
74.40025	0.3
75.04480	2.1
79.05466	1.0
81.03416	0.8
81.07060	16.9
83.08622	10.6
85.02909	17.8
85.06535	0.7
85.10183	18.6
86.09690	0.4
87.04473	0.4
87.53146	0.3
89.06017	0.6
91.03960	14.4
91.04532	0.7
93.07036	0.8
95.08609	23.7
96.08961	0.4
97.02890	7.0
97.10176	9.1
99.04423	1.1
99.08075	0.5
99.11753	1.8
103.07571	0.7
107.08578	0.6
109.02837	0.5
109.10157	11.8
111.11708	3.9
113.13266	0.8
115.03929	1.0
121.10194	0.3
123.11719	5.4
125.13218	0.8
127.03915	5.4
137.13257	2.1
145.04958	7.5
151.14830	0.9
163.06020	14.1
179.17990	0.4
184.07350	1.2
193.19608	0.3
249.25726	1.2
267.26852	20.3
272.11273	0.4
285.27933	3.1
314.66275	0.4
315.67212	0.3
326.30573	0.5
333.20230	0.3
341.30511	100.0
342.30801	1.8
359.31561	37.9
360.31824	0.8
373.08994	0.3
497.57227	0.3
503.36569	0.7
700.44788	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	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05501	0.6
57.03438	1.8
61.02928	3.6
64.91689	0.3
67.05505	1.8
69.03442	2.1
71.01334	0.3
71.04995	0.8
71.08281	0.8
73.02930	2.4
78.41248	0.4
79.05509	1.6
79.56029	0.3
81.03422	4.4
81.07070	2.1
83.04987	1.2
83.08620	1.2
85.02906	5.6
91.03957	2.2
91.05486	2.7
93.07043	1.5
95.04971	2.0
95.08586	0.7
97.02907	4.2
99.04459	0.5
101.02393	1.2
105.07009	1.9
107.04978	0.9
107.08633	0.5
109.02879	1.0
111.08096	0.6
119.08594	1.3
121.10170	0.9
123.08080	0.6
127.03934	1.1
129.07014	1.1
131.08591	0.9
133.10156	1.3
145.04987	0.4
147.11720	1.2
149.09641	0.8
149.88980	0.3
153.41165	0.4
157.10202	0.9
175.11218	1.2
185.04060	0.4
193.12224	2.2
200.58121	0.4
211.13341	0.7
243.08405	1.7
251.12796	1.6
269.12375	1.0
307.15247	1.0
318.90396	0.4
464.50912	0.4
469.20468	11.9
535.28943	0.3
636.57440	0.4
688.59058	0.4
697.34045	100.0
698.34357	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01269	0.9
53.03919	1.0
55.05502	2.1
56.96568	1.6
57.03433	3.0
61.02932	6.4
67.05508	13.1
69.03433	4.2
69.07082	1.9
69.28316	3.6
69.28754	5.0
71.04987	1.3
73.02922	6.3
79.05495	3.3
81.03426	2.7
81.07059	6.9
83.04984	0.9
83.08614	2.7
85.02902	9.6
87.04469	1.5
87.71069	1.0
91.03951	5.2
91.05460	1.9
93.07043	3.7
95.08622	3.3
97.02905	7.7
98.97598	1.9
101.02405	2.3
101.71849	0.9
107.08572	2.5
109.02898	1.5
109.10167	11.8
119.08597	1.5
121.10146	1.2
127.03941	1.8
129.05434	1.1
131.00208	2.6
133.10121	1.1
147.03136	1.4
149.01236	3.0
149.13254	1.7
156.03651	2.8
158.99628	1.5
162.05022	1.0
167.02225	1.2
173.11713	4.7
177.00693	1.7
185.04187	2.2
195.09911	2.0
201.03810	1.5
203.05327	1.3
229.14156	1.7
243.08412	4.1
251.12579	1.3
262.22498	1.0
292.69339	0.9
293.05441	1.0
301.09067	5.1
315.10544	3.3
329.12335	1.1
337.48312	1.1
358.16498	8.1
358.66620	9.6
359.16748	2.2
369.15277	1.3
371.16800	3.1
373.11084	2.2
385.18417	2.6
389.26770	1.1
413.17856	19.8
425.21603	3.0
429.17719	1.3
453.21155	5.2
463.26575	1.5
484.22739	2.6
485.20032	7.4
499.21872	2.3
516.22479	1.0
539.28003	1.0
541.26196	3.1
553.30157	1.4
567.31458	20.5
568.32227	1.3
596.31793	7.4
615.82007	2.8
623.33484	1.6
625.31970	100.0
626.32355	2.8
628.30664	6.9
651.33466	6.8
669.35077	1.1
696.84747	1.8
697.33942	50.6
698.34125	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01870	0.6
55.05503	1.2
56.96566	0.2
57.03438	1.4
61.02933	3.0
65.03947	0.3
67.05504	2.6
69.03434	2.1
69.07056	0.7
71.04979	0.9
71.55428	0.3
72.65193	0.3
73.02925	2.8
79.05488	2.0
81.03426	5.3
81.07060	2.6
83.04990	1.2
83.08615	2.3
85.02905	5.7
91.03960	1.9
91.05479	3.5
93.07049	2.1
95.04967	3.0
95.08614	1.4
97.02893	3.5
97.06547	0.5
97.10145	0.3
98.97562	0.2
99.04446	0.9
99.08127	0.3
101.02384	1.3
105.03429	0.3
105.07037	2.8
107.04934	0.8
107.08601	1.2
109.02890	0.9
109.06529	0.6
109.10151	0.7
111.08086	1.1
115.03959	0.2
117.03407	0.6
117.07042	0.3
119.08570	2.0
121.10139	1.3
123.08173	0.3
123.11726	0.4
125.09644	0.3
127.03909	1.5
129.06999	1.0
131.08592	1.0
133.06499	0.5
133.10118	1.6
135.08006	0.5
135.11693	0.3
137.05956	0.5
137.09619	0.3
137.24294	0.2
145.02849	1.1
145.05006	0.4
145.10159	0.4
147.04434	0.7
147.08112	0.4
147.10683	0.3
147.11649	1.4
149.05954	0.2
149.09654	0.9
157.10138	1.7
163.11223	0.7
165.12804	0.5
175.11223	1.1
177.05479	2.2
185.04263	0.4
193.12276	3.0
203.05267	0.3
211.13275	2.2
243.08421	2.4
247.34064	0.2
251.12602	4.4
254.48430	0.2
269.12411	0.5
285.17102	0.5
307.15262	1.2
469.20474	17.0
470.20758	0.3
476.28082	0.3
535.28967	0.6
697.34021	100.0
698.34558	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	696.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01880	1.0
55.05514	11.4
57.03444	4.3
57.07074	7.7
61.02929	22.6
62.21392	0.6
65.03928	1.0
67.05505	51.9
68.05803	1.0
69.03443	3.8
69.06730	1.2
69.07070	17.6
71.04980	2.3
71.08633	4.1
71.56991	1.3
71.78685	0.6
73.02917	7.7
75.04456	0.8
76.54454	0.7
77.68042	0.6
79.05495	16.6
81.03415	1.5
81.07059	64.2
83.04989	1.6
83.08156	0.9
83.08625	15.4
85.02907	26.0
85.06551	2.6
85.10170	2.1
87.04472	0.7
91.03958	25.4
91.05479	11.5
93.06478	1.2
93.07047	18.7
95.04955	0.9
95.08611	59.4
97.02900	12.3
97.06541	4.2
97.10172	8.6
99.04423	2.1
99.08086	2.7
101.53382	0.8
103.03928	0.9
105.07034	8.0
107.08600	13.9
109.02834	0.8
109.10160	29.0
111.08083	2.8
111.11710	3.0
113.09636	2.2
115.03898	0.9
119.08598	10.5
121.10139	17.2
123.11712	15.6
125.09615	1.5
125.13266	1.2
127.03913	9.2
127.11204	1.4
133.10124	13.1
135.11697	9.1
137.13264	5.9
139.11237	1.1
141.12703	3.4
145.04959	12.1
145.10075	1.1
147.11673	9.0
149.01265	1.2
149.13261	9.2
151.11154	1.2
151.14833	6.1
153.12737	0.7
155.14307	2.7
156.03690	1.1
161.13254	12.1
163.06023	22.6
163.07405	1.2
163.14832	9.4
165.12721	1.4
165.16405	7.7
167.14307	1.4
175.14851	8.6
177.16328	1.0
179.14249	1.6
179.17984	7.5
181.15887	1.2
189.16406	3.7
193.15811	1.1
203.17912	1.3
217.19489	2.1
245.22653	61.2
246.23058	1.8
247.24223	0.9
263.23709	100.0
264.24167	1.7
265.25317	3.1
281.24719	3.0
298.17130	0.7
310.05649	0.7
337.27380	44.4
338.27679	1.1
355.28409	13.6
379.40646	0.8
407.28415	0.8
439.23477	1.1
499.32660	1.3
534.29456	2.9
534.79407	1.1
577.13470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01875	1.8
55.05513	15.5
57.03441	5.4
57.07077	8.8
61.02929	23.9
65.03940	1.7
67.05506	66.7
69.03430	3.6
69.07069	22.5
70.21387	0.9
70.21788	1.1
71.04987	2.2
71.08630	4.6
72.89095	0.5
72.99931	0.5
73.02917	7.8
75.04482	0.7
78.06097	0.4
79.05495	21.1
81.03414	1.8
81.07059	77.8
83.04977	1.3
83.08147	1.1
83.08624	20.0
85.02905	29.0
85.06532	2.3
85.10185	2.1
91.03960	24.1
91.05480	14.7
91.05913	0.4
93.07046	23.2
95.04971	1.3
95.08608	71.9
97.02899	11.9
97.06532	5.7
97.10167	12.7
99.04476	1.3
99.08105	4.4
100.39422	0.5
101.02405	0.8
103.03960	0.7
105.07030	11.4
107.08598	16.1
109.02896	0.9
109.06504	1.6
109.10159	38.2
111.08094	3.8
111.11710	4.8
113.09658	2.7
115.03943	1.8
117.06940	0.5
119.08583	13.2
121.10144	23.3
123.08074	1.2
123.11715	17.9
125.09634	1.9
125.13290	1.2
127.03920	9.3
127.11217	1.3
129.09152	0.7
131.08611	0.9
133.10138	15.0
135.11694	11.1
137.09653	1.1
137.13271	7.4
139.11182	1.5
141.12720	2.9
145.04956	11.9
145.06004	0.8
145.10168	0.6
147.11688	11.6
149.13257	11.0
151.11209	1.4
151.14830	7.8
151.78157	0.5
153.12726	1.6
155.14279	3.0
159.11630	1.2
161.13264	14.6
163.06018	18.9
163.14838	10.4
165.12758	1.6
165.16397	8.6
167.14331	1.7
169.12187	0.6
175.14822	11.2
177.16403	2.3
179.14323	1.5
179.17958	7.4
181.15883	1.4
183.13901	0.6
185.15240	0.5
189.16382	5.8
193.15935	1.0
203.17966	1.5
207.17426	1.6
215.12589	0.6
217.19540	1.9
236.99402	0.5
245.22655	61.9
246.22986	0.7
247.24074	0.8
263.23709	100.0
264.24051	1.6
265.25131	1.8
281.24771	4.6
337.27371	69.0
338.27640	1.4
353.24719	0.5
355.24051	0.9
355.28409	16.9
356.28879	0.6
499.32758	6.4
504.98483	0.6
534.86139	0.7
624.14484	0.6
674.23694	0.6
696.36969	0.8
713.69116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19299	0.5
53.93226	0.4
55.05497	1.7
56.96582	0.7
57.03436	2.9
57.34035	0.4
61.02927	4.0
65.28293	0.4
67.05502	3.5
68.05826	0.4
69.03430	3.2
69.07059	1.2
69.40237	3.3
70.91431	0.4
71.04981	1.5
73.02921	3.1
75.81250	0.4
79.05483	3.1
81.03419	5.4
81.07053	4.1
83.04977	1.7
83.08630	2.0
85.02907	4.7
86.70442	0.4
87.04449	0.7
91.03951	2.0
91.05492	4.0
93.07040	4.5
95.04979	2.3
95.08608	1.9
97.02901	4.6
97.06525	1.0
97.10145	0.5
98.21491	0.8
99.04452	1.0
101.02361	1.1
101.49637	0.4
103.03928	0.4
105.07039	2.9
105.82131	0.4
107.04971	1.6
107.08578	2.5
109.02840	0.8
109.06524	0.9
109.10178	1.3
110.10508	0.5
111.08092	0.7
117.07029	1.0
119.08591	2.2
121.10161	1.5
123.08062	0.8
125.05988	0.5
127.03925	1.3
129.07014	1.3
131.08560	1.4
133.10135	1.6
135.08087	0.5
135.11707	1.5
135.26788	0.5
145.10115	1.9
147.04427	0.6
147.08051	0.6
147.11716	1.5
149.09644	1.0
149.13319	0.5
151.11235	0.5
157.10155	1.2
163.11169	2.1
175.11134	1.0
179.07007	0.4
184.07333	0.8
191.10664	0.6
193.12265	1.4
199.83960	0.4
209.11621	0.7
211.13356	1.3
212.13708	0.5
243.08380	2.6
251.12704	1.1
267.15860	1.0
268.16336	0.8
269.12457	0.6
269.17404	0.9
283.08783	0.5
285.16708	0.8
356.14966	0.6
434.04456	0.5
440.27353	1.3
448.28018	0.6
462.29343	2.5
467.18900	5.0
469.20520	6.0
498.31534	0.7
695.32324	100.0
696.32458	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	694.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03001	1.6
53.03928	4.8
55.01859	3.7
55.05509	18.1
55.21989	1.5
57.03443	9.9
57.07068	2.6
59.05009	1.7
65.03920	2.3
67.05507	68.1
69.03431	2.2
69.07071	16.5
70.84667	4.5
70.85001	1.6
71.04989	8.2
71.53405	1.6
72.53677	1.5
79.05497	40.5
81.07056	62.0
83.04967	3.7
83.08613	8.2
85.06532	2.9
86.48216	1.6
91.05482	30.4
93.06488	3.0
93.07050	51.8
95.04961	6.9
95.08607	41.4
97.06533	8.6
97.10147	7.6
105.07026	20.5
107.04964	2.7
107.08595	29.4
109.06510	3.5
109.10159	30.6
111.08066	3.8
117.07011	7.8
119.08591	14.0
121.10148	20.2
123.08088	2.4
123.11682	3.7
125.09628	4.3
127.46761	1.7
129.07018	2.2
131.08572	15.8
133.10143	14.5
135.11696	10.1
137.09650	2.2
143.08595	2.1
145.10129	9.6
147.11681	4.8
149.09601	3.6
149.13260	6.4
155.10655	2.1
157.10139	3.2
159.11708	8.9
161.13300	2.9
163.14815	2.5
169.10097	1.9
171.11703	2.4
173.11734	5.0
173.13203	4.5
177.12717	2.8
183.13298	1.9
189.11250	3.0
195.13664	2.2
223.31851	2.1
227.12799	6.8
229.14340	27.1
239.18050	1.7
243.21091	2.1
257.18982	2.7
261.22110	9.4
270.54865	1.7
275.20160	11.2
317.24591	2.0
335.25803	46.8
349.23654	9.0
369.36685	1.8
422.20517	2.2
489.35703	20.5
507.37283	1.9
522.25555	3.7
529.38916	100.0
530.39209	2.5
609.45435	11.1
634.34442	4.9
641.47009	6.3
694.25592	2.1
694.36670	32.9
695.36548	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3253
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03950	0.7
55.01870	0.7
55.05504	1.2
56.96564	0.7
57.03440	1.4
57.10669	0.2
61.02926	3.6
65.03948	0.3
67.05504	2.6
69.03117	0.3
69.03443	2.5
69.07080	0.9
71.01375	0.4
71.04991	1.1
71.53960	0.6
73.02921	2.3
79.05496	3.0
81.03421	4.3
81.07062	3.6
83.04942	1.4
83.08617	1.2
85.02908	4.3
87.04465	0.4
87.45803	0.3
91.03974	1.6
91.05475	2.9
93.07049	2.6
93.79537	0.3
95.04972	2.0
95.08598	2.2
97.02878	2.6
97.06530	0.4
98.97579	0.5
99.04461	0.6
101.02390	1.0
105.07031	1.9
107.04972	1.0
107.08601	2.1
109.02912	0.5
109.06519	0.4
109.10175	0.8
111.04443	0.5
111.08086	0.7
114.09758	0.3
117.07018	0.4
119.08589	2.7
121.06486	0.6
121.10133	1.6
123.11753	0.5
125.00100	0.4
125.06007	0.3
127.03946	1.2
129.07014	0.9
131.08586	1.1
133.10190	1.6
135.08058	0.4
135.11713	2.1
142.07785	0.4
145.04944	0.4
145.10147	1.8
147.04428	0.5
147.11671	0.8
149.09657	0.7
157.10161	0.7
157.99701	0.3
163.11159	3.9
175.11189	0.7
181.12242	0.6
184.07343	0.3
185.04192	0.4
193.12268	1.7
203.05289	0.3
211.13301	1.3
219.09982	0.4
227.12791	2.9
229.07469	0.3
243.08394	2.2
249.11000	8.1
251.12602	0.6
267.09094	0.8
285.10202	0.8
285.16953	0.7
286.17279	0.4
286.26172	0.3
305.13727	1.7
307.15274	0.7
319.92307	0.3
466.28787	0.4
467.18921	8.4
469.20474	10.3
497.30774	0.5
533.26831	0.6
695.32410	100.0
696.32855	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47766	0.9
53.03946	3.2
55.01879	1.7
55.05512	8.5
56.96554	1.7
57.03441	12.8
57.74704	1.2
60.33937	1.0
61.02929	2.6
67.05507	28.7
69.03442	3.0
69.07069	9.8
71.01347	3.3
71.04998	4.1
73.02905	1.1
75.47942	0.9
79.05021	1.0
79.05499	26.0
81.03423	49.7
81.07063	18.6
83.04975	7.6
83.08634	12.8
85.02924	2.4
85.06536	2.7
91.05489	17.2
93.07051	32.8
95.04971	15.3
95.08617	7.2
97.02892	2.4
97.06532	9.2
97.10181	9.0
99.08096	2.0
105.03390	2.7
105.07010	8.4
107.04964	3.9
107.08601	20.8
109.06513	1.7
109.10172	5.4
111.04398	1.1
111.08095	5.0
111.11720	1.0
117.07040	3.9
119.08597	10.4
121.06507	3.3
121.10158	7.7
123.04462	1.5
123.08060	1.9
123.11710	1.6
125.09637	2.5
129.07033	5.0
130.07799	1.1
131.08583	3.7
133.06497	1.1
133.10141	5.1
135.08058	1.4
135.11699	34.6
137.09637	2.1
142.22649	1.0
143.08522	1.3
145.10127	6.0
147.04463	1.6
147.08029	2.3
147.11702	3.6
149.09631	2.3
153.12813	1.6
157.10178	5.9
163.11192	5.5
165.12817	1.9
175.11203	7.7
181.12277	6.8
184.07393	1.8
193.12271	14.4
211.13298	2.8
255.15932	66.2
267.15939	42.4
285.16879	1.3
340.82401	1.2
378.24200	1.0
403.24826	1.6
421.25870	8.2
447.27463	100.0
448.27652	3.5
465.28494	3.5
479.30154	4.7
489.28473	2.1
497.30692	1.4
545.11005	1.0
651.13232	1.1
694.35858	1.8
695.32385	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
53.48492	2.1
55.01879	5.2
55.05511	19.6
56.96567	2.0
57.03433	15.2
59.04998	3.4
61.02915	7.1
61.88343	1.8
61.94469	2.0
65.03938	3.2
67.05506	100.0
69.03413	8.0
69.07062	12.4
71.04990	25.4
71.54772	2.7
73.02926	2.3
76.02822	1.7
79.05496	36.6
81.03423	55.8
81.07062	42.8
83.04978	19.2
83.08619	24.5
85.02905	27.6
85.06520	6.6
86.09708	5.5
91.03938	3.6
91.04910	2.2
91.05485	47.0
93.07043	38.3
95.04965	26.2
95.08601	21.0
95.47022	1.8
97.02882	7.2
97.06540	10.6
97.10158	5.1
105.03384	4.6
105.07040	28.4
107.05012	9.8
107.08586	18.7
109.06516	6.7
109.10158	65.0
111.04410	2.8
111.08101	11.8
112.52644	2.2
113.06010	3.8
115.05424	2.9
117.06976	5.6
119.05044	2.6
119.08590	35.3
121.06552	2.1
121.10146	13.4
123.04418	2.1
123.08069	3.5
123.11734	2.6
124.99982	6.3
125.09648	4.5
125.30136	1.8
127.03835	3.2
127.07549	2.2
129.07053	9.0
131.08553	16.2
133.06480	1.9
133.10143	16.7
135.11676	12.0
137.09608	10.9
142.07787	3.7
145.10150	5.7
147.04401	2.9
147.08047	3.9
147.11688	14.5
149.09622	8.0
149.13240	2.2
155.10661	5.9
157.10143	15.9
159.11772	2.7
163.11166	6.0
165.12750	6.2
173.11723	10.5
175.11169	12.7
181.12282	3.0
184.07323	24.8
193.12259	35.4
211.13286	39.2
229.14380	6.3
243.15877	2.3
249.14847	2.3
255.15865	11.8
267.15854	23.8
269.17499	3.8
285.10092	3.6
285.16974	20.6
286.17477	2.2
287.18500	20.4
421.25803	36.4
439.26929	71.7
447.27469	42.1
452.53793	2.0
453.28583	10.3
454.75504	2.0
461.29022	14.2
465.28525	53.7
479.29703	7.8
497.31104	62.3
641.34613	3.0
642.67462	2.1
694.39166	16.4
695.31549	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	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01868	7.6
55.05512	35.2
56.38087	1.2
57.03431	21.6
57.07060	2.0
59.04992	4.4
61.02932	7.0
63.21579	1.2
65.03929	3.0
67.05507	100.0
68.11107	1.0
69.03416	5.6
69.06739	1.4
69.07073	17.7
69.37334	8.1
71.01335	1.3
71.04993	6.5
73.02928	6.2
79.05495	42.3
81.03419	15.0
81.07057	76.9
83.01383	1.2
83.04980	9.4
83.08618	24.6
85.02908	17.6
85.06542	7.1
87.04465	4.8
91.03935	4.7
91.05486	29.1
93.07045	40.4
95.04967	8.5
95.08608	22.9
97.02879	6.7
97.06543	12.5
97.10173	17.1
98.20825	2.7
99.04430	1.8
99.08052	2.2
103.03950	1.5
105.07033	12.7
107.04939	4.6
107.08601	29.5
109.06497	3.2
109.10161	50.8
111.04427	2.1
111.08096	7.1
113.06043	1.6
115.03916	1.3
117.07001	7.2
119.08604	10.8
121.06490	4.0
121.10137	11.3
123.08056	1.5
123.11700	4.8
125.09633	15.7
127.03913	2.3
129.05478	5.1
129.07008	2.8
131.08556	12.3
133.10136	11.8
134.84045	1.0
135.08073	2.3
135.11699	12.0
137.09622	5.0
143.10672	3.6
145.10161	6.3
147.08090	2.0
147.11682	5.1
149.09610	1.5
149.13278	11.6
151.11237	1.6
153.12686	2.2
153.89755	1.2
155.10681	4.5
157.10091	2.6
159.11668	7.5
163.11197	10.6
165.12732	3.1
173.09607	1.6
173.11725	14.8
175.11215	1.9
177.12758	4.2
181.12256	3.1
185.11746	1.6
191.10597	2.2
193.12276	5.7
195.13841	13.8
199.13266	6.8
209.11685	7.3
211.13257	3.5
213.14952	2.7
227.12733	8.7
229.14352	53.9
239.16423	3.8
265.14267	1.7
267.15848	10.0
269.17484	57.5
283.15414	4.8
301.16464	18.7
323.18484	2.2
377.26270	1.4
393.26553	2.2
411.27356	6.2
423.27466	33.9
431.27820	1.8
449.28824	1.5
477.28525	3.0
495.29562	69.2
496.29721	1.4
513.30585	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.5
55.05261	1.0
55.05511	11.9
56.30610	0.6
57.03192	0.7
57.03440	10.9
59.05003	0.9
60.06359	0.5
61.02919	2.7
65.03932	1.5
67.05505	19.1
69.03427	5.0
69.07069	5.5
69.63312	1.5
69.63720	2.8
71.04994	4.6
73.02884	0.8
79.05497	20.1
81.03419	68.5
81.07058	24.6
83.04979	14.9
83.08620	25.1
83.09124	1.1
85.02908	27.1
85.06530	2.1
87.90717	0.5
91.03951	1.0
91.05483	27.9
93.07046	17.6
95.04970	26.2
95.08607	8.9
97.02901	4.1
97.06531	3.3
97.10169	4.1
98.21430	1.3
99.04452	0.8
99.08104	1.1
105.03407	0.8
105.07029	20.9
107.04951	7.1
107.08598	8.7
109.06532	4.7
109.10136	3.0
110.02601	0.6
111.04427	3.5
111.08088	12.2
113.06039	1.8
115.05432	1.6
117.07027	2.1
119.08584	19.5
121.06509	2.0
121.10131	6.8
123.08108	3.3
123.11723	2.3
125.05963	0.7
125.09640	1.8
127.07587	0.8
128.06219	0.6
129.07016	10.2
131.08577	11.0
133.06496	3.2
133.10123	10.3
135.08025	0.7
135.11748	0.7
137.09637	2.0
142.07791	2.6
145.10118	2.9
147.08040	4.4
147.10507	0.9
147.11685	17.0
149.09619	7.1
151.11206	2.0
157.10135	16.1
163.11127	1.3
165.12764	3.2
175.11191	18.4
189.11311	0.6
193.12244	49.3
194.12617	0.9
211.13295	64.5
212.13664	1.0
227.12735	0.6
229.14455	0.9
249.14862	0.7
267.15909	35.8
268.16168	0.9
285.16962	73.1
286.17316	1.4
366.34174	0.6
367.22708	1.9
385.23734	3.1
403.24997	1.4
429.21439	0.6
433.25739	1.3
441.26514	1.6
459.27417	30.6
460.27667	0.7
477.28476	38.6
478.28314	0.9
495.29556	100.0
496.29840	2.4
639.33484	1.4
692.36450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
53.39862	0.3
55.01883	0.5
55.05515	1.5
56.58245	0.3
56.62747	0.3
57.03440	2.1
61.02930	3.5
63.36743	0.3
67.05508	4.0
69.03432	2.3
69.07065	1.1
69.76492	0.8
69.76912	0.8
71.04994	1.0
73.02929	2.5
75.43262	0.3
79.05492	3.8
81.03426	4.1
81.07064	4.0
83.04991	0.8
83.08631	1.6
85.02910	5.5
85.06584	0.3
88.44421	0.3
91.03973	2.2
91.05496	4.1
93.07047	3.9
95.04978	2.2
95.08590	2.1
97.02903	4.0
97.06528	0.8
99.04455	0.5
99.08153	0.4
101.02392	1.3
103.03924	0.7
103.05472	0.3
105.03385	0.5
105.07021	3.0
107.04982	0.9
107.08586	1.6
109.02909	0.7
109.06525	0.6
109.10175	0.9
111.08095	0.8
117.07057	0.8
119.08573	2.3
121.10150	1.0
123.08101	0.5
123.11739	0.5
125.60815	0.3
127.03927	1.4
128.19576	0.3
129.05479	0.4
129.07036	1.3
130.85092	0.3
131.08580	1.3
133.06448	0.4
133.10143	1.6
143.08568	0.6
145.10115	0.6
147.08073	0.5
147.11722	2.2
149.09642	0.5
157.10165	1.3
161.13313	0.6
171.11740	0.7
175.11203	1.0
184.07437	0.4
193.12270	1.5
207.13832	0.3
211.13364	0.9
243.08382	2.1
247.13043	1.5
251.12596	0.6
267.09012	0.5
269.12436	0.7
269.17517	0.6
281.10638	0.4
285.17047	0.6
307.15228	0.5
309.77832	0.3
335.93527	0.3
355.16162	0.5
355.66052	0.4
357.29141	0.3
424.28006	0.4
465.21106	5.2
469.20474	8.4
478.28802	0.6
496.29840	0.7
531.29724	0.4
579.41681	0.4
619.25153	0.4
640.34314	0.4
642.12323	0.4
693.34521	100.0
694.35223	3.4
697.06439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01872	0.3
55.05513	1.3
57.03428	1.6
61.02925	5.4
67.05507	7.5
69.03438	3.5
69.07054	1.2
71.04979	0.7
73.02921	3.6
79.05492	2.6
81.03433	1.9
81.06646	0.4
81.07063	4.5
83.08622	0.6
85.02904	4.9
87.04466	0.4
88.65938	0.3
89.41849	0.3
91.03957	3.5
91.05484	2.1
93.07045	3.2
95.04943	0.3
95.08614	3.3
97.02890	4.8
98.21513	0.7
99.04469	1.0
101.02382	2.3
103.03922	0.4
105.07043	1.0
107.08595	1.9
109.02888	0.6
109.10154	4.8
111.67994	0.3
115.03958	0.5
119.08598	1.2
121.10151	1.3
123.11686	0.4
127.03924	1.9
131.08621	0.5
133.10156	0.6
135.11713	1.1
145.10097	0.5
147.11723	0.4
149.13307	0.4
155.10684	0.4
173.11748	0.8
173.13191	0.4
185.04083	0.4
195.10008	0.8
229.14435	0.3
243.08443	2.4
326.53253	0.4
335.26047	1.0
354.93387	0.3
379.27399	0.3
413.17786	4.6
519.29327	7.3
519.37073	0.5
545.88409	0.3
551.39459	0.3
691.40259	100.0
692.40619	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	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01862	3.2
55.05267	1.3
55.05514	18.1
55.25138	0.8
57.03442	17.2
59.04992	0.9
61.02932	4.7
65.03931	2.2
67.05505	28.4
69.03432	5.7
69.07070	8.2
69.42545	4.6
71.04999	6.1
73.02912	1.1
79.05495	33.9
81.03421	83.9
81.07059	36.6
83.04984	18.9
83.08623	31.8
85.02911	37.0
85.03431	1.6
85.06530	1.6
91.03960	1.5
91.05483	44.0
93.07045	20.5
95.04971	31.2
95.08607	12.2
97.02881	6.2
97.06537	4.4
97.10159	4.6
99.08101	1.7
105.03383	0.9
105.07033	28.2
107.04973	8.7
107.08601	10.1
109.06519	6.1
109.10155	2.7
111.04438	3.1
111.08087	13.1
113.06001	2.9
115.05454	2.0
117.06989	2.3
119.04964	1.1
119.08585	25.4
121.06499	2.3
121.10153	11.0
123.08077	3.4
123.11710	2.2
125.05937	1.0
125.09622	2.0
127.03851	0.8
129.07016	15.0
131.08563	14.8
133.06512	4.5
133.10144	14.6
135.08028	0.9
137.09601	3.4
142.07790	4.3
145.10136	2.4
147.08051	4.8
147.11694	19.5
149.09624	8.4
157.10135	19.7
161.09598	0.7
163.11154	1.7
165.12794	4.0
175.11192	19.9
193.12247	59.2
211.13301	100.0
212.13593	1.4
249.14830	1.0
254.20024	0.8
256.12851	0.8
267.15936	38.2
268.16479	1.0
285.16974	95.4
286.17178	1.5
367.22632	3.3
376.61417	0.8
385.23859	3.9
401.43933	0.7
403.24765	2.0
412.44598	0.7
429.21304	0.8
433.25818	1.3
433.83093	0.7
459.27426	27.5
477.28476	31.8
495.29565	89.6
496.29819	3.0
639.33838	0.9
647.76111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
53.44472	0.7
55.01868	2.6
55.05513	10.8
56.65640	0.7
56.96559	0.8
57.03441	8.2
57.07085	1.1
61.02923	2.5
65.03932	1.8
67.05506	18.0
69.03426	2.9
69.07073	8.1
71.04998	3.5
71.23753	1.3
77.52408	0.6
79.05496	24.1
81.03423	31.0
81.07063	25.0
83.04981	9.0
83.08623	16.9
85.02908	15.7
85.06547	1.2
87.79379	0.6
91.05486	18.7
93.07047	31.0
95.04974	18.2
95.08610	28.8
97.02883	6.2
97.06554	4.2
97.10181	2.9
99.04478	4.0
99.08096	1.4
103.05504	1.0
105.03386	1.3
105.07034	16.0
107.04968	9.2
107.08604	23.7
109.02927	0.9
109.06535	4.1
109.10183	4.3
111.04447	2.6
111.08076	6.0
113.06020	2.1
115.05426	1.2
117.07035	8.2
119.08585	16.1
121.06531	4.8
121.10144	15.2
123.08077	1.0
123.11688	1.6
125.05987	2.7
127.03910	1.0
129.07033	5.7
130.07785	0.8
131.08583	4.9
133.06506	1.8
133.10110	9.0
135.08078	1.3
135.11696	34.6
137.06018	0.7
137.09659	1.4
139.07573	2.2
140.05632	0.6
142.07791	1.7
143.08562	0.8
145.09053	1.4
145.10132	20.5
147.08078	1.6
147.11690	8.1
149.09587	3.7
153.12715	1.5
157.10133	7.9
163.11183	46.5
165.12762	2.2
171.58694	0.8
175.11179	8.7
181.12221	9.1
193.12259	22.1
198.59402	0.7
209.11742	1.3
211.13295	28.4
227.12788	52.5
249.07993	0.7
249.14928	0.7
252.24707	0.6
267.09271	1.3
267.15930	25.0
283.15402	56.2
285.10220	1.9
285.16974	50.3
475.26932	33.9
493.27982	100.0
494.28256	2.5
690.33350	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	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01898	0.3
55.05519	1.7
57.03437	1.8
58.65432	0.2
61.02929	4.7
65.03937	0.3
65.74904	0.2
67.05506	8.2
69.03439	3.5
69.07057	1.1
70.81335	0.7
71.01363	0.4
71.04993	1.0
73.02911	3.5
78.83041	0.2
79.05511	2.1
81.03410	1.9
81.07052	3.6
83.05016	0.5
83.08640	0.8
85.02905	5.2
85.06530	0.5
87.04454	0.5
91.03954	3.5
91.05480	1.9
93.07050	2.6
95.04991	0.7
95.08600	2.7
97.02892	4.5
97.06509	0.4
99.04466	0.8
101.02399	1.9
103.03964	0.4
105.07056	1.2
107.08615	1.3
109.02863	1.3
109.10162	7.3
109.10933	0.3
111.04464	0.3
111.08107	0.6
115.42068	0.3
117.06968	0.5
119.08588	1.4
121.10136	1.3
127.03929	1.7
128.53712	0.3
131.08562	0.8
133.10129	0.7
135.11710	0.7
137.09608	0.4
145.10135	0.4
147.11758	0.5
149.13211	0.4
150.46423	0.3
155.10657	0.8
159.11710	0.5
161.13303	0.3
173.11723	1.7
185.04237	0.6
193.12466	0.3
195.10042	0.9
200.31976	0.3
203.05269	0.4
207.95474	0.3
217.70657	0.2
229.14386	1.1
243.08398	2.6
251.12383	0.3
335.25845	0.6
391.19742	0.3
413.17847	9.6
519.29346	4.5
519.36377	0.3
520.29382	0.3
691.40259	100.0
692.40643	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03943	2.8
55.01646	0.8
55.01878	5.9
55.05513	13.5
57.03440	9.1
57.07085	0.8
59.05003	1.5
61.02934	3.5
65.03926	1.0
67.05183	1.2
67.05511	16.8
69.03431	4.1
69.07076	5.7
71.05013	3.5
71.55351	0.9
73.02930	1.1
79.05493	21.6
81.03419	41.4
81.07059	22.0
83.01326	3.6
83.04983	12.6
83.08622	16.5
85.02431	1.3
85.02911	16.6
85.06550	1.3
91.03962	1.5
91.05482	21.9
93.07047	21.0
95.04973	16.7
95.08622	10.5
97.02900	4.6
97.06548	4.3
97.10171	4.1
99.04456	2.3
99.08092	0.9
105.03391	0.9
105.07038	16.5
107.04971	8.7
107.08587	12.3
109.02884	0.8
109.06539	5.9
109.10159	4.0
111.04442	2.9
111.08091	5.8
113.05991	0.7
115.05502	0.9
117.07035	5.1
119.08588	12.5
121.06488	2.7
121.10153	9.9
123.04436	1.0
123.08106	5.3
123.11683	1.4
125.06008	1.0
125.09631	2.4
127.03902	1.1
129.07028	5.8
130.07817	0.8
131.04898	0.8
131.08560	7.6
133.06509	1.3
133.10143	7.8
135.08072	1.5
135.11699	9.2
137.06041	0.7
137.09616	2.0
139.03903	0.7
139.07567	0.9
142.07796	1.0
145.10132	9.8
147.04404	1.5
147.08052	3.4
147.11688	7.7
149.09608	4.5
151.11165	1.5
153.12791	1.7
155.08618	1.0
157.10135	9.0
163.11186	15.9
165.09113	0.7
165.12730	1.5
173.09616	2.8
175.11189	7.8
181.12289	2.6
191.10509	0.9
193.12260	21.7
209.11719	4.3
211.13300	39.8
227.12764	3.8
267.09167	0.8
267.15936	8.5
272.22318	0.7
283.15405	50.7
285.16956	31.5
365.20981	0.8
383.22217	2.4
401.23032	1.0
452.24292	0.8
457.25894	4.2
475.26965	15.7
493.27991	100.0
494.28442	4.1
496.25842	0.7
687.24274	0.8
690.34729	1.6
710.65613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57962	0.2
53.03947	1.0
55.01870	0.5
55.05511	1.3
56.96531	0.2
57.03449	1.2
61.02927	3.3
61.16174	0.2
65.20181	0.2
67.05512	3.5
69.03432	2.0
69.07072	0.9
70.58900	0.6
71.01355	0.4
71.04984	0.7
73.02929	2.4
79.05498	5.8
81.03425	2.4
81.07057	4.1
83.04974	1.4
83.08608	0.7
85.02915	4.1
85.06551	0.3
91.03951	2.2
91.05483	5.5
93.07049	5.3
95.04960	1.7
95.08612	2.4
97.02902	3.1
97.06546	0.7
97.10200	0.3
99.04469	0.7
101.02393	1.6
105.07035	3.7
107.04968	0.7
107.08611	1.7
109.02893	0.7
109.06520	0.7
109.10144	0.5
115.03950	0.3
117.07043	0.9
119.08596	2.8
121.06550	0.3
121.10132	0.4
123.08057	0.3
127.03925	1.0
128.06223	0.2
129.06995	1.6
131.08548	0.3
133.10159	0.7
135.11681	0.3
140.79160	0.2
142.07755	0.3
143.08589	1.0
145.04996	0.3
145.10168	0.9
147.11679	3.4
157.10249	0.3
161.09679	0.3
161.13235	0.8
171.11713	2.5
175.11304	0.2
184.07292	0.3
189.12782	0.5
203.05347	0.5
207.13890	0.6
243.08418	2.6
247.13063	2.6
281.17435	0.5
303.15710	1.2
459.00507	0.2
465.20984	15.4
466.22214	0.3
513.90491	0.2
587.17560	0.3
689.35089	100.0
690.35443	2.3
691.74365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05514	17.0
57.03436	11.9
57.07058	4.0
59.04991	3.5
61.02939	4.5
62.33380	1.0
62.73227	0.9
65.03932	1.9
67.05506	100.0
68.05817	1.0
69.03435	1.3
69.07065	16.8
71.04977	2.9
71.08607	0.9
71.57227	1.3
73.02932	1.1
73.67948	0.9
79.05486	10.3
81.03404	1.2
81.07056	41.7
82.07395	1.1
83.04993	1.2
83.08625	13.6
85.02924	5.0
85.06513	2.4
89.06015	1.8
91.03960	1.2
91.05479	8.9
93.07038	13.8
95.08606	31.3
97.02885	3.2
97.06513	1.9
97.10169	4.8
105.07043	5.2
107.08604	7.5
109.10158	79.7
111.08057	4.5
119.08594	10.1
121.10133	5.6
123.11695	4.1
125.09609	1.8
127.03874	1.0
131.08559	0.9
131.58514	0.9
133.10088	4.6
135.11673	2.9
137.09596	3.6
137.13269	1.6
147.11658	3.1
149.13240	1.5
151.14879	1.7
152.89902	1.0
155.10661	6.4
161.13240	2.7
163.14784	1.5
173.11745	16.9
175.14848	1.6
184.07323	1.6
186.06236	0.9
197.70029	0.9
227.12764	1.1
229.14355	85.3
245.22667	3.5
263.23688	4.8
323.31119	1.2
337.27377	75.8
337.51157	1.0
491.37323	81.4
492.37949	2.3
627.52734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.6
51.02376	1.1
51.80420	0.5
52.00593	0.3
53.03950	4.1
55.05499	1.4
56.96572	0.4
61.02926	0.6
65.03936	1.5
65.37437	0.4
67.05499	2.8
69.03429	2.7
69.07061	1.5
71.04983	0.6
72.08122	0.5
77.03928	0.8
79.05490	2.0
81.03419	3.0
81.07058	3.2
82.33389	0.5
83.04988	3.1
83.08627	0.9
83.49664	0.4
84.85967	0.5
84.99036	0.5
85.02913	0.6
91.05482	1.6
93.03397	0.8
93.07035	2.3
95.04971	6.9
95.08604	2.4
97.02877	1.3
97.06528	0.9
97.10160	1.0
97.98565	0.5
98.97594	0.6
105.03395	66.6
105.04539	2.0
105.07025	1.6
106.03721	0.6
106.56441	0.4
107.04954	5.9
107.08620	2.0
108.05329	0.6
109.02896	3.1
109.06547	0.6
109.10146	1.9
111.04450	3.5
119.08620	0.6
121.02863	14.0
121.06528	0.9
121.10145	1.4
123.04424	1.5
123.08148	0.5
123.11721	1.0
125.09669	0.4
127.03917	1.8
127.07547	0.6
129.03214	0.6
131.08533	0.7
133.02629	1.5
133.10104	1.0
134.03389	1.4
134.97125	0.4
135.04208	2.3
135.11699	1.3
137.13272	0.6
139.03909	0.9
145.10110	1.2
147.04422	0.6
147.11708	1.0
151.07629	0.5
153.12762	0.7
157.10191	0.6
163.11229	0.6
165.09138	0.7
167.33444	0.5
179.03139	5.0
221.04259	2.6
231.06635	1.0
241.08391	0.9
249.07730	0.9
257.07986	0.6
267.08984	0.8
271.05798	1.1
282.63406	0.6
285.10147	0.7
289.07019	0.6
290.48154	0.5
305.06448	1.3
307.07925	3.5
342.65372	0.5
357.15695	0.9
379.11862	0.6
413.12363	0.6
413.17603	0.9
427.10031	22.5
428.10483	0.6
456.31885	0.6
473.32538	0.9
491.33951	1.1
492.34018	0.6
533.14276	1.4
535.15991	0.7
583.13873	0.6
585.28589	2.1
645.19281	5.0
689.18427	100.0
690.18896	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51409	0.9
51.02381	1.2
53.03944	5.3
55.01860	3.0
55.05270	1.0
55.05515	14.2
55.37979	0.8
55.95000	0.8
57.03443	9.2
61.02913	1.1
65.03939	2.0
67.05508	34.9
68.90526	0.8
69.03416	4.2
69.06790	0.7
69.07069	8.7
69.84333	3.8
71.04979	4.1
73.06544	1.6
77.03896	1.0
79.05495	47.0
81.03423	46.9
81.03915	1.5
81.07056	31.6
83.04976	14.5
83.08623	17.4
85.02905	14.2
85.06532	2.5
91.05486	42.9
93.07046	42.8
95.04972	25.3
95.08610	16.7
97.02877	3.0
97.06526	4.3
97.10155	3.4
99.04556	0.9
105.04510	1.4
105.07030	34.6
107.04953	6.2
107.08603	12.2
109.06529	6.1
109.10154	4.1
111.04444	1.3
111.08102	6.9
113.06077	1.0
117.07032	4.4
119.08578	24.5
121.06496	3.0
121.10135	7.6
123.08092	4.5
125.09606	1.3
127.07557	1.3
128.06216	2.7
129.07022	17.6
131.08562	8.4
133.06493	2.2
133.10136	14.0
135.11710	1.6
137.06003	1.2
141.06935	1.2
142.07779	1.2
143.08543	5.2
145.10162	6.1
147.08063	3.8
147.11699	28.9
149.09610	4.5
157.10120	10.2
161.09586	1.7
161.13263	4.9
163.11189	1.2
165.12752	1.5
165.41792	0.9
171.11673	14.5
175.11191	9.1
189.12819	5.3
189.14197	1.1
193.12250	24.3
207.13780	15.9
208.14012	1.0
211.13293	30.4
249.14713	1.0
267.15909	32.2
281.17484	45.6
285.16980	30.5
473.28992	100.0
474.29132	2.4
491.30051	74.0
492.30386	1.7
558.13458	1.0
609.73022	0.9
707.17383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01871	0.8
55.05515	12.4
57.03437	11.9
57.07079	1.8
59.05014	2.8
61.02939	4.1
65.03940	1.6
67.05508	100.0
68.05847	0.8
69.03410	0.8
69.07074	8.1
70.82099	1.6
71.04988	3.2
73.02917	0.9
79.05499	21.6
79.05969	1.1
80.99866	0.6
81.07062	40.9
83.05001	0.8
83.08624	8.1
85.02916	4.6
85.06550	3.1
91.03960	1.7
91.05486	15.0
91.06017	1.0
92.51165	0.7
93.07050	25.3
95.04994	1.7
95.08613	27.7
97.02924	2.5
97.06555	1.5
97.10197	2.2
99.77899	0.7
105.04563	1.0
105.07029	7.1
107.08602	14.5
109.10163	75.7
111.08111	2.8
117.07037	2.9
119.08591	10.9
119.09367	1.0
121.10159	13.1
123.08105	0.9
123.11734	4.3
125.09656	1.6
127.03947	1.1
131.08577	6.5
133.10139	4.4
135.11690	7.5
137.09622	3.8
137.13292	1.6
139.58447	0.7
145.10121	4.3
147.11737	4.5
149.13260	5.2
152.57170	0.7
155.10681	8.9
159.11731	3.5
161.13264	3.2
163.14812	3.8
171.11720	0.7
173.11790	15.4
173.13297	3.0
175.14833	1.3
187.14885	1.3
204.28436	0.6
227.12872	4.3
229.14363	85.6
230.14909	0.7
243.21043	6.0
261.22153	17.2
317.24860	3.0
320.17703	0.7
335.25809	76.7
336.26141	1.9
379.29926	0.7
392.27420	0.8
397.31564	1.4
415.31918	0.9
471.34967	1.3
489.35773	62.0
490.36118	2.0
507.36765	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	687.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
67.05508	1.6
69.07061	0.9
71.55028	1.1
79.05494	1.4
79.17248	0.5
81.07069	1.1
85.06523	0.6
91.05492	1.6
93.07045	1.7
95.08607	1.0
105.07066	0.9
111.73988	0.6
120.08062	0.6
120.76508	0.6
129.07056	0.6
159.11789	0.6
172.07393	0.6
189.06346	0.6
197.10812	1.6
199.08655	0.8
207.09335	0.7
208.09831	0.9
209.10660	4.4
210.11607	1.8
211.12361	1.7
213.06683	0.8
213.10349	0.7
221.10713	1.2
222.11652	1.7
223.08751	1.4
223.12265	4.2
224.13121	3.4
225.13846	3.9
226.14708	1.2
227.08244	0.8
227.14841	0.6
235.08707	0.8
235.12396	1.4
236.13232	0.7
237.10333	2.0
237.13870	10.9
237.16164	0.5
238.14648	6.7
239.15588	3.5
241.09883	1.9
248.13132	0.9
249.14049	0.7
250.11053	0.9
251.08095	0.9
251.11783	1.1
252.12462	0.6
253.09830	0.8
253.13431	2.0
255.07739	0.9
255.11380	1.4
261.10229	0.9
265.13364	8.3
265.15897	0.7
266.14133	3.7
267.14999	3.7
269.09314	0.8
269.13055	0.6
271.10876	0.7
273.12491	1.6
282.13681	0.9
287.14175	0.8
293.13223	0.7
297.12427	1.8
309.16135	1.0
313.27094	0.5
314.16571	0.8
315.13525	2.6
316.18167	0.6
325.15497	7.9
326.16345	1.3
327.17203	2.1
328.14642	1.2
328.18280	1.4
335.13950	0.6
336.14679	1.2
340.14465	0.9
342.11923	0.7
343.12808	1.3
353.15240	0.6
384.94876	0.6
386.19086	0.8
387.20316	1.1
388.20206	2.1
389.21088	0.9
395.18765	1.1
399.15848	1.0
400.16339	1.7
401.21265	0.9
402.21936	2.0
403.22748	0.7
404.23428	1.6
406.18219	1.0
408.19678	1.1
409.20377	1.3
414.18085	1.2
419.18719	1.1
421.16962	0.8
430.21420	0.8
433.20541	1.0
437.19910	1.5
451.21939	0.7
462.19894	0.6
475.21262	0.8
481.22183	0.8
482.22894	0.8
490.22272	1.5
491.24399	1.6
493.21652	0.6
497.25748	2.9
506.23862	0.9
507.24103	3.0
508.23029	0.8
510.22644	0.9
521.25775	1.4
524.24457	1.8
525.24976	4.6
535.23560	1.0
539.26318	1.7
540.27429	1.8
549.24933	2.5
550.24310	0.9
553.24530	2.2
567.26306	3.5
568.26721	1.2
577.24591	0.9
579.26318	1.0
591.22150	0.7
595.25500	3.4
609.27380	9.5
611.27563	0.6
613.26770	0.8
623.24744	2.1
627.28143	24.9
637.26917	4.0
655.27631	100.0
656.27826	3.2
687.29901	4.4
687.41095	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.4
57.03440	3.2
57.07076	34.2
61.02927	12.9
67.05178	1.0
67.05503	12.0
69.03410	1.9
69.06790	0.6
69.07072	6.7
71.04972	0.8
71.08631	30.2
73.02923	4.4
75.04456	1.8
79.05483	1.9
81.03415	1.5
81.07057	17.2
83.04919	0.7
83.08616	10.1
85.02905	15.6
85.10184	17.6
89.06030	0.7
91.03952	16.0
93.07054	1.2
95.08607	23.2
97.02894	7.8
97.10178	9.8
99.11733	0.9
103.07583	0.9
107.08620	1.0
109.10151	12.7
111.11703	2.6
115.03964	1.0
121.10100	1.1
123.11714	5.3
125.13287	0.8
127.03896	4.0
137.13246	2.5
140.57288	0.6
144.60542	0.8
145.04971	6.9
151.14787	1.3
156.32764	0.7
163.06029	11.2
199.66124	0.7
229.14378	0.7
235.24236	1.2
247.64665	0.6
253.25275	17.9
253.27914	0.9
271.26379	4.7
298.24591	0.7
306.27994	0.8
327.28931	100.0
328.29410	1.0
335.25827	1.2
345.29990	44.5
358.33383	0.7
489.34537	1.3
493.26453	0.7
601.26563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01888	1.2
55.05261	1.0
55.05512	10.8
57.03439	12.6
57.07067	2.3
59.05005	3.6
59.88100	0.6
61.02924	5.1
62.04245	0.6
65.03937	2.3
67.05506	100.0
68.05862	0.7
69.03424	1.6
69.07074	9.2
71.05010	3.5
73.02905	1.6
77.03905	0.7
79.05495	19.7
81.07057	37.9
83.04982	0.9
83.08622	7.3
85.02920	4.0
85.06544	3.2
91.03960	1.8
91.05486	13.2
93.07043	23.7
95.04980	1.5
95.08613	26.6
97.02908	2.9
97.06494	1.0
97.10169	1.4
99.08070	1.0
105.07045	5.8
107.08599	12.4
109.10159	81.1
111.08073	4.0
117.07032	2.6
119.08582	10.2
121.10143	11.0
123.11671	3.6
125.09647	1.2
131.08568	5.4
133.10161	4.9
135.11681	6.4
137.09612	3.9
137.13249	1.5
145.10143	3.7
147.11717	3.5
149.13301	3.5
151.21603	0.7
153.12857	0.6
155.10655	10.1
159.11688	2.8
161.13261	2.8
163.14780	2.2
173.11758	19.4
173.13258	2.7
175.14818	1.3
177.16434	1.0
187.14804	1.5
201.16454	0.8
218.11560	0.7
227.12843	4.3
229.14354	96.9
230.14682	1.1
233.22527	0.8
243.21118	4.6
261.22150	15.4
261.24878	1.2
265.27509	0.7
317.24725	2.9
335.25806	67.3
336.26120	2.3
379.29648	0.9
397.30917	1.6
415.31897	2.1
454.10007	0.8
471.34436	2.3
489.35748	42.0
490.35574	1.0
507.36768	4.4
563.12952	0.7
638.37250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03948	3.4
53.48073	0.6
54.26443	0.5
55.01864	1.7
55.05511	7.6
57.03433	3.0
57.07076	0.7
61.02926	0.9
65.03923	1.0
67.05505	24.5
69.07069	5.6
69.92072	0.9
69.92467	2.0
71.04996	1.4
72.21334	0.6
73.06560	0.9
79.05495	39.1
81.03415	5.7
81.07060	20.3
83.04982	5.4
83.08636	3.6
85.02895	0.9
85.06528	1.3
91.03948	0.9
91.04913	1.2
91.05481	29.9
93.07044	37.4
95.04972	10.2
95.08611	13.4
97.02890	1.0
97.06533	2.3
97.10170	2.1
103.05497	0.6
104.97998	0.7
105.04523	1.5
105.07032	22.3
107.04948	3.4
107.08586	8.2
109.06505	3.7
109.10162	2.3
115.05441	1.3
117.07024	4.8
119.08581	14.3
121.06497	1.9
121.10135	2.1
123.08081	3.1
128.06270	1.3
129.07025	10.2
131.08600	1.4
133.10136	6.1
135.08064	1.2
135.11728	1.2
143.08583	5.8
145.10147	5.6
147.08069	1.9
147.11690	21.9
159.11687	1.2
161.09630	2.7
161.13231	7.0
163.11115	0.8
171.11697	18.3
179.14305	0.6
189.12759	6.5
207.13806	16.5
225.14861	1.4
236.16422	0.9
263.16428	1.5
265.12991	0.8
281.17484	42.7
346.16409	0.9
437.51724	0.8
469.29517	2.2
487.30557	100.0
488.30731	1.9
543.37372	0.7
586.66278	0.7
643.32147	0.7
684.43781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01868	3.7
55.05513	20.6
57.03435	12.7
57.06833	2.7
57.07079	33.0
67.05508	29.9
69.03439	13.1
69.07081	10.8
71.04989	3.3
71.08637	22.9
71.57482	2.1
79.05491	16.2
79.99619	1.9
81.03418	62.9
81.07061	31.4
83.04981	28.6
83.08624	24.0
85.02911	13.7
85.06518	2.5
85.10198	10.5
89.06017	2.2
89.40956	1.6
91.05479	14.2
93.07049	15.5
93.44326	2.0
95.04973	16.1
95.08614	21.7
97.02892	11.3
97.06532	4.7
97.10144	7.6
99.04431	3.2
105.07025	11.2
107.04922	3.8
107.08569	6.0
109.02879	6.1
109.06489	4.0
109.10171	14.3
111.04436	11.3
111.08097	8.9
119.08602	12.1
121.06451	2.1
121.10150	7.9
123.11669	4.0
127.03912	4.9
129.05450	7.9
129.07010	5.3
131.08604	10.6
131.39612	1.8
133.10121	3.9
135.11696	3.0
147.11699	12.7
149.09608	3.5
157.10129	8.4
163.11182	2.8
165.12793	4.5
173.89066	1.9
175.11197	12.5
181.12331	3.4
191.10612	2.8
193.12251	31.3
211.13277	45.0
227.12801	5.0
229.14366	10.3
235.13266	2.0
239.23721	4.2
249.14909	2.9
267.15988	12.3
285.16919	10.0
313.23563	3.0
313.27359	58.1
335.25690	5.3
337.16336	2.4
355.17447	5.9
429.21182	25.8
466.38528	2.1
485.90921	2.0
489.35446	4.1
505.38907	12.4
523.39966	100.0
573.48981	2.4
586.14697	2.2
616.96985	2.1
635.25079	2.7
667.44238	20.1
685.42950	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.4
51.02373	0.8
53.03951	3.0
55.01868	0.4
55.05502	0.5
57.03437	0.2
60.34531	0.1
65.03943	1.7
67.05502	0.9
69.03434	2.3
69.07064	0.2
69.76071	0.2
69.76484	0.5
71.01370	0.2
71.04985	0.2
72.86490	0.1
77.03909	1.0
79.05484	0.8
81.03425	1.8
81.07049	0.3
83.04983	2.1
85.02913	0.4
91.05481	0.4
93.03407	1.2
93.07063	0.3
95.04972	6.2
95.08607	0.3
97.02895	1.1
97.10174	0.2
99.04436	0.7
104.61697	0.1
105.03395	100.0
106.03694	0.7
107.04962	4.0
109.02882	6.3
109.10155	0.5
111.04445	6.6
119.08553	0.2
121.02871	31.6
121.10193	0.2
122.03161	0.2
123.04443	1.8
125.05998	0.2
127.03925	3.5
133.10085	0.2
135.04446	0.4
135.21376	0.1
137.91196	0.1
139.03908	2.5
145.04941	0.7
145.30040	0.1
147.04425	0.3
147.11705	0.1
153.05426	0.4
178.38638	0.2
181.05029	0.4
189.05434	0.2
203.07002	0.2
215.07175	0.1
225.05458	0.4
229.14375	0.5
231.06534	8.7
233.08180	0.4
241.07259	0.2
243.06561	1.8
247.06067	0.3
249.07622	1.8
261.07568	0.3
265.07025	1.1
267.08856	0.4
283.08258	0.2
308.36536	0.2
369.09900	0.8
383.24130	0.3
387.10745	9.3
388.11288	0.3
405.11819	27.5
406.12311	0.2
482.52130	0.1
485.23865	0.2
511.15671	0.1
511.44336	0.1
587.50726	0.2
658.85864	0.2
674.12579	0.1
684.30151	0.7
684.41321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.05513	1.9
57.03435	1.7
61.02927	3.8
67.05506	4.3
69.03422	2.3
69.07069	1.0
70.49925	1.6
71.04996	0.7
73.02911	2.9
79.05495	3.2
81.03411	4.2
81.07051	4.6
83.04993	0.7
83.08620	1.0
85.02905	6.5
91.03952	3.4
91.05481	3.5
93.07053	3.5
95.04989	1.9
95.08628	1.6
97.02904	3.5
97.06523	0.7
101.02396	1.2
105.03410	0.7
105.07052	1.4
107.04965	0.6
107.08607	2.3
109.02904	0.9
109.10173	1.4
119.08612	2.1
121.06485	0.7
121.10164	2.3
127.03935	1.1
129.07034	0.6
130.07851	0.5
131.08580	1.6
133.10196	1.2
135.08006	0.6
135.11745	1.3
145.10138	0.8
147.11723	1.0
149.13310	1.8
157.10155	1.0
159.11687	0.9
185.04254	0.8
193.12317	1.8
211.13344	1.4
235.13098	1.9
243.08556	2.0
251.12660	0.5
291.15460	0.6
453.20978	6.3
469.20544	10.1
569.72711	0.5
585.93738	0.6
681.34552	100.0
682.34552	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.03938	2.3
53.95268	1.4
55.05511	14.5
57.03442	6.5
57.07068	3.7
61.02932	16.4
65.03926	2.6
66.04020	1.1
67.05507	76.0
69.03418	3.4
69.07074	12.3
70.81472	1.2
70.81805	3.2
71.04979	2.3
71.08646	1.7
73.02913	8.6
79.05494	39.2
81.03370	1.8
81.07058	87.7
83.08629	9.2
85.02910	23.3
85.06528	3.2
90.13806	1.2
91.03956	15.9
91.05486	21.9
93.07043	56.3
95.04950	3.2
95.08608	61.3
97.02907	10.1
97.06532	2.0
97.10155	3.3
99.08089	2.5
103.03895	1.3
105.07021	17.4
107.07877	2.3
107.08595	36.8
109.06429	1.3
109.10158	34.2
113.09575	1.3
114.16023	1.2
117.07025	8.3
119.08594	17.8
121.10142	34.9
123.08105	2.4
123.11719	19.1
127.03926	6.3
129.05519	1.8
131.08574	21.1
133.10135	14.8
135.10698	2.0
135.11702	30.6
137.09612	2.1
137.13217	8.3
139.11134	2.2
145.04944	8.5
145.10129	17.4
147.11711	11.0
149.13261	18.9
151.11140	2.3
151.14816	2.6
153.12781	1.4
159.11707	14.8
161.13249	10.5
163.06021	12.8
163.14819	16.7
165.12737	3.2
173.13263	19.2
173.80659	1.3
174.82970	1.3
175.14803	4.3
177.12781	1.6
177.16446	6.0
179.06517	1.4
179.14366	3.5
187.14804	8.7
191.14288	2.5
199.32439	1.2
201.16370	3.1
205.15858	2.2
212.18999	1.3
233.22664	3.7
243.21106	35.5
261.22150	100.0
262.22449	1.6
263.23499	1.3
279.20374	1.4
279.22986	5.9
335.25818	31.2
353.26901	40.4
497.31152	9.9
509.70010	1.5
562.38263	1.4
677.34937	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88423	0.7
53.03939	1.3
55.01862	2.5
56.96559	1.9
57.03436	5.3
61.02935	3.9
69.03088	1.2
69.03433	17.3
71.01340	1.2
71.04985	1.6
71.53809	0.8
73.02917	8.2
77.00879	0.7
81.03416	3.8
82.99828	1.5
85.02910	35.0
86.03239	1.0
86.99290	1.2
87.04477	1.6
91.03948	1.8
97.02895	17.8
98.97584	8.2
99.04443	2.9
101.00871	11.0
104.01226	1.1
107.04956	1.5
107.59190	0.7
109.02879	3.4
110.01286	1.8
110.97572	2.1
112.99103	1.2
113.00856	2.5
115.02455	0.7
116.98589	2.3
119.01911	18.1
125.78468	0.7
127.02409	3.4
127.03924	19.0
128.02228	0.7
128.04257	1.2
128.98598	2.1
129.00258	1.0
129.02092	0.7
131.00267	0.9
131.01894	9.0
133.03470	1.6
134.02324	1.0
138.03439	1.0
139.02463	1.6
140.02269	3.2
143.00203	1.8
143.01897	23.8
144.01953	1.0
145.01675	1.1
145.03453	10.7
145.04958	10.2
146.02286	3.1
147.01352	1.6
149.02893	1.2
152.02313	2.6
155.01857	18.7
157.03523	8.1
158.99664	8.8
161.01526	1.0
161.02950	19.7
162.03122	0.9
163.04506	1.1
163.05965	1.4
167.01892	10.3
168.03613	3.0
168.54677	0.8
169.03484	2.9
169.05162	1.2
170.03426	0.9
170.99695	4.5
171.05048	3.4
173.01425	1.9
173.02953	21.6
174.04478	1.5
175.04559	1.4
177.00685	5.0
177.04134	4.2
178.04861	1.5
179.01891	5.4
182.03362	7.8
182.99683	2.2
183.01390	1.5
183.05032	3.2
185.02965	40.8
186.03008	1.1
187.03027	1.1
187.04480	5.4
189.00745	2.0
191.02159	1.4
191.03905	16.6
191.54060	1.5
192.05525	2.3
193.03531	0.9
195.01402	4.3
197.02982	19.3
199.04424	1.1
200.04411	11.5
201.00711	4.5
203.04033	12.3
204.04254	1.0
205.03702	1.0
207.01759	1.2
209.03027	5.1
209.04692	1.1
210.54738	1.0
211.04530	2.3
213.00621	0.9
213.02441	9.3
215.04019	8.7
219.01698	10.5
219.05110	1.2
221.02954	2.3
221.05061	5.7
223.00934	2.2
223.04555	3.1
227.03995	9.2
231.01509	2.8
231.03554	2.0
233.03030	1.6
233.05115	2.0
235.04544	2.1
237.02528	12.7
237.06178	1.9
239.04018	3.3
243.01729	2.9
245.05084	100.0
246.05208	3.6
247.04662	3.2
249.02513	8.9
249.06447	3.1
250.07259	1.1
251.04007	3.2
255.01443	0.9
255.03563	14.6
257.05103	7.4
257.58862	0.8
258.06750	5.4
258.57300	1.3
259.08020	2.4
261.02722	9.9
263.03601	6.3
263.06400	9.9
264.07822	4.3
264.57758	1.6
265.01889	1.0
267.03467	7.1
269.05222	1.7
272.06534	8.8
272.56863	1.2
273.02438	3.5
273.08209	16.3
273.58371	5.4
274.08084	2.6
275.06241	12.8
279.03687	11.4
280.03900	1.1
281.07272	30.0
281.57272	4.0
283.02985	2.0
285.04544	1.0
286.07947	0.9
287.06027	2.0
291.03546	5.2
293.07211	2.7
297.04578	7.9
299.05746	0.8
303.03699	2.3
305.07236	10.4
309.04590	2.6
321.04599	21.0
321.08746	1.0
321.10284	1.2
335.08124	3.1
337.09781	1.7
339.05676	75.0
339.09613	13.9
339.59656	1.0
340.06171	1.7
340.10501	2.8
351.11203	0.8
353.07211	1.2
354.10892	8.4
354.60980	2.8
355.10742	2.0
357.06680	44.6
358.06924	0.8
362.09738	46.5
362.59894	11.0
363.09875	1.9
365.09271	8.2
375.07809	1.8
380.08331	1.8
381.07047	1.2
383.09747	1.0
393.08789	5.2
399.07672	29.5
411.07751	8.5
417.08804	48.2
425.11465	2.0
429.08362	2.3
435.09784	7.1
440.10458	3.0
441.08972	2.7
443.10205	0.8
447.09888	3.7
459.09857	6.2
483.09506	1.1
485.12613	0.9
501.10861	21.3
502.10526	1.1
519.11877	8.3
681.17340	18.8
682.17377	1.3
695.96997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60601	5.4
54.65616	4.3
55.05504	15.2
57.03424	6.7
60.04472	4.4
61.02921	16.2
65.75705	4.7
67.05513	77.0
68.18573	4.4
69.07062	13.1
69.82988	9.7
69.83379	15.4
70.06589	4.8
73.02905	8.8
79.05511	42.7
81.07063	84.4
83.08618	8.2
85.02897	19.5
85.06532	5.3
91.03953	16.0
91.05483	27.7
93.07061	48.1
95.08617	69.3
95.94147	4.7
97.02883	8.3
97.06480	5.6
97.10143	5.8
98.21530	5.7
105.07026	19.1
107.08597	33.1
109.10175	37.7
118.92754	4.5
119.08595	12.9
121.10162	38.0
123.11703	21.8
127.03941	9.8
131.08553	19.4
133.10139	15.9
135.11720	28.7
137.13264	9.6
143.84904	5.2
145.04988	7.5
145.10118	24.0
147.11687	14.3
149.13257	19.8
159.11674	13.3
161.13281	14.8
163.06073	12.0
163.14848	11.2
173.13252	14.4
175.14806	4.7
177.16399	9.1
187.14897	9.4
193.05092	5.6
195.95650	4.8
218.36743	5.7
243.21103	26.7
256.26419	10.4
261.22162	100.0
279.23502	5.3
335.25900	37.7
339.23779	5.3
347.25531	5.2
353.26852	40.6
357.44537	5.1
380.60965	4.9
385.25760	4.5
419.68869	6.3
497.30865	7.4
537.15656	5.3
586.31372	4.7
652.32471	5.4
663.28894	5.9
677.54578	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22625	1.3
51.73839	1.7
53.03947	3.4
55.05515	14.1
57.03434	5.7
57.03954	1.4
57.07071	4.0
61.02931	25.8
65.07832	1.3
67.05508	61.0
68.68178	1.5
69.03432	3.7
69.07075	11.7
70.36750	2.8
71.04987	3.6
73.02919	8.3
79.05067	2.6
79.05501	37.5
80.01451	1.5
81.03416	4.0
81.07063	63.0
83.04985	1.6
83.08622	7.2
85.02903	26.5
85.06525	2.1
85.26492	1.5
87.04486	1.9
91.03957	26.7
91.05481	22.0
93.07048	53.7
95.04988	3.6
95.08613	55.8
97.02892	14.6
97.06569	2.7
97.10172	2.8
99.04454	2.2
99.08111	2.5
105.07034	19.6
107.04936	1.9
107.08603	39.0
109.02955	1.6
109.06548	1.7
109.10159	32.0
109.10843	2.7
111.08057	3.4
115.03860	1.5
117.07039	9.3
119.08588	15.4
121.10144	35.1
123.08044	2.6
123.11704	16.5
125.09657	1.8
127.03923	10.6
129.07011	1.8
131.08580	19.0
133.10133	15.3
135.11705	27.3
137.09705	1.6
137.13274	5.8
139.11227	2.0
145.04945	11.7
145.10124	14.9
147.11725	10.6
149.13243	20.9
150.05550	1.6
151.11139	2.7
151.14827	1.6
159.11713	14.1
161.13249	10.7
163.06039	20.5
163.14832	13.8
165.12807	3.0
173.13287	15.6
175.14760	3.3
177.16373	5.0
179.14378	2.0
187.14836	8.5
191.14351	1.8
193.15848	1.6
193.86127	1.5
201.16376	3.3
205.16008	2.1
219.17743	1.7
233.22636	4.7
243.21101	34.5
261.22168	100.0
279.23154	3.7
303.23169	1.8
335.25766	18.0
353.26865	35.6
353.30939	2.9
497.31055	4.1
617.22626	2.0
645.20966	1.9
677.35059	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	677.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.2
63.55800	0.2
67.05507	0.4
69.62438	0.9
69.62846	0.4
79.05495	0.4
81.07081	0.3
81.58823	0.2
93.07054	0.3
107.08630	0.3
143.01913	0.2
185.04312	0.7
193.05002	0.3
193.56938	0.2
203.05293	1.3
212.49866	0.2
214.36603	0.2
256.26447	0.4
259.07968	0.9
290.97662	0.2
305.08206	0.3
333.24942	0.3
347.09683	1.2
355.33804	0.2
365.10562	3.0
421.13202	1.4
457.17450	0.2
515.31940	22.1
516.32336	0.4
544.21356	0.3
590.22046	0.5
677.37201	100.0
678.37329	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32946	0.5
53.03946	1.5
55.05502	2.3
55.89262	0.5
57.03426	1.7
61.02931	4.9
63.17377	0.7
64.74255	0.6
67.05505	12.6
67.40834	0.6
67.90954	0.5
69.03431	2.1
69.07066	3.0
71.54302	0.6
71.54673	0.7
73.02914	2.5
77.33936	0.6
79.05496	7.9
81.03421	2.5
81.07061	14.6
83.05001	1.0
83.08609	1.6
84.78030	0.6
85.02901	6.1
85.06540	0.8
86.67538	0.6
91.03959	5.0
91.05491	6.4
93.07041	12.6
95.04986	1.6
95.08605	8.4
97.02893	3.2
97.06548	1.5
97.10180	0.5
101.02396	1.8
105.07008	3.9
107.08587	4.9
109.02898	0.7
109.06520	0.8
109.10154	3.9
111.08203	0.7
114.28273	0.6
117.07021	1.7
119.08572	3.3
121.10139	5.8
123.11726	2.0
127.03916	2.2
129.06966	0.6
131.08553	2.9
133.10155	3.0
135.10840	0.7
135.11696	3.7
143.08595	0.7
145.04991	0.9
145.10109	2.4
147.11681	3.4
149.13268	4.4
159.11685	2.9
161.13249	1.8
163.06053	1.3
163.14876	1.2
171.11751	2.0
173.13263	1.7
177.16379	1.0
189.44640	0.6
195.13933	0.9
235.12926	0.8
243.08427	2.0
243.21144	3.8
247.13049	1.4
261.22144	11.2
335.25836	3.3
339.17319	1.1
353.26819	4.0
363.61316	0.6
453.20941	6.7
465.20901	6.5
497.30649	0.8
542.11884	0.7
544.96136	0.7
677.35059	100.0
678.35431	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	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.2
69.07078	0.4
71.14999	0.4
71.15323	0.3
75.09840	0.3
79.05497	0.9
81.03418	0.8
81.07056	1.5
83.08627	0.5
85.02920	0.5
91.05496	0.5
93.07052	1.1
95.04982	0.7
95.08612	0.6
97.02928	0.3
107.08607	0.6
121.10171	0.4
133.10179	0.5
149.13301	0.3
193.12257	0.5
211.13297	0.4
238.82449	0.3
269.17557	0.6
270.03470	0.3
321.57248	0.3
399.14160	0.4
413.16089	0.8
425.16266	0.5
428.14551	0.4
429.15845	0.7
430.16599	0.9
440.19016	0.5
441.19894	0.9
443.17203	1.0
444.18219	1.8
445.18823	1.8
452.15070	0.5
453.15805	0.4
454.16595	0.4
455.17874	0.7
456.13898	0.7
457.15067	1.5
457.20041	0.7
458.19785	0.5
467.12827	0.5
467.17975	0.9
468.13766	0.5
468.18445	0.4
469.14249	2.0
470.15573	1.5
471.16412	3.2
472.17438	1.4
479.30023	0.7
480.13779	1.7
481.15054	2.7
482.15756	3.1
483.16733	4.1
484.17453	1.1
485.18533	3.9
494.15808	0.5
495.16721	9.1
496.17480	4.7
497.18317	9.6
498.19354	0.9
499.19919	1.1
500.16833	0.6
510.19083	0.8
511.19644	1.0
513.17633	1.6
515.19403	1.1
523.15747	0.5
528.15936	0.4
529.21075	0.8
531.19189	0.5
541.18256	0.3
542.18158	0.7
545.23962	0.4
555.18719	9.6
556.19476	0.7
557.20844	0.7
573.23492	2.8
583.21655	1.0
585.23138	0.8
601.23468	0.6
616.22675	0.5
617.22839	2.9
627.20978	0.6
643.23956	4.3
644.24347	1.6
645.22394	2.3
657.25793	0.6
660.24200	5.2
675.26660	100.0
676.26855	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	677.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93938	0.9
55.05503	1.9
56.96558	1.1
57.03430	0.8
67.05505	3.3
69.03413	0.9
69.07064	1.8
69.55810	1.0
71.54576	0.9
79.05510	1.7
80.05890	1.1
81.03415	1.7
81.07055	3.9
84.11800	1.0
85.02898	1.6
91.05473	1.3
93.07053	2.5
95.04986	1.6
95.08611	2.8
97.06553	1.1
98.97561	1.3
105.03381	1.2
105.07050	2.9
107.04951	1.7
107.08573	2.4
109.10159	1.5
110.03709	0.9
114.58794	1.0
117.07013	1.3
119.08575	1.3
121.10159	1.6
123.04435	1.0
123.11710	1.4
133.10220	1.5
147.04382	2.0
149.13252	1.0
267.09109	1.5
285.10059	1.6
389.16284	2.0
403.13882	1.0
403.18597	1.2
404.18579	1.4
415.17957	1.5
416.14709	1.4
417.15805	3.5
421.18784	1.3
427.13776	1.2
429.15558	4.7
430.16565	2.6
431.17453	5.2
432.18048	3.3
442.16602	2.8
443.17355	3.6
444.18237	6.0
445.19058	2.9
455.13565	2.1
458.12732	1.4
459.16815	3.2
460.18011	1.5
470.15930	19.9
471.16730	2.9
472.13861	1.5
473.13986	1.2
475.19879	1.5
482.12393	1.2
483.16571	1.2
485.17969	1.1
487.15997	6.8
488.17352	2.1
490.22641	1.5
497.14395	8.2
498.15567	1.6
499.16202	2.7
500.13321	1.3
501.18063	2.6
502.18466	27.7
503.19290	1.8
515.15405	7.2
516.16211	1.6
518.21594	4.9
529.18127	1.6
530.18353	2.9
546.21100	1.9
574.20703	2.5
575.21442	2.3
576.22473	2.7
578.24048	1.2
589.23456	1.2
616.21887	5.6
631.24384	2.8
634.22693	13.7
635.23383	20.6
677.24591	100.0
677.35284	9.1
678.24719	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	676.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01861	1.3
55.05513	9.3
57.03434	7.6
57.07071	1.5
61.02932	3.9
65.03934	1.2
67.05508	29.7
69.03436	3.6
69.07071	10.4
71.01331	0.8
71.04988	4.4
73.02911	1.2
79.05497	21.3
81.03420	30.5
81.07058	40.8
83.04990	8.8
83.08627	15.6
85.02435	1.1
85.02909	14.1
85.06533	2.5
91.03951	2.1
91.04912	1.1
91.05480	22.5
93.07044	26.3
95.04958	12.4
95.08604	10.6
97.02890	3.6
97.06525	6.5
97.10154	2.7
98.20728	1.9
99.04498	1.0
99.08138	0.8
105.07037	11.8
105.52903	0.8
107.04947	2.2
107.08598	14.7
109.06523	2.8
109.10179	2.2
111.08073	9.2
113.06036	1.2
115.05507	1.0
117.07017	4.1
117.73598	0.7
119.08591	10.0
121.06513	2.4
121.10134	8.0
123.08100	1.5
123.11713	3.1
125.09627	1.5
127.03938	0.8
127.07584	0.8
129.07008	5.7
131.08578	11.0
133.06479	1.8
133.10144	12.9
135.08063	1.2
135.11673	5.3
137.09608	0.9
142.07803	1.2
143.08534	1.0
145.10130	1.0
147.08057	1.8
147.11678	8.0
149.09657	3.3
149.13257	8.9
157.10141	7.8
159.11711	3.7
165.12782	1.8
166.02386	0.8
175.11211	7.7
177.12814	1.9
178.07143	0.8
182.11230	0.7
193.12247	18.9
195.13831	6.1
211.13292	27.1
219.39998	0.7
251.16385	0.9
258.54391	0.7
267.15918	12.7
269.17484	42.8
270.17981	0.8
285.16965	26.4
433.29483	1.0
443.27994	2.8
461.29010	26.0
468.13553	1.1
469.14651	4.4
470.15170	5.5
471.15991	1.5
472.16626	1.0
479.30042	96.5
480.30161	1.8
481.14658	1.2
482.14969	3.5
483.16165	9.3
484.16953	7.9
485.17307	1.2
496.16916	4.5
497.17975	10.3
498.18494	29.5
499.18723	5.2
511.19391	2.2
512.19812	4.6
513.20599	1.9
514.18402	1.1
529.16766	1.6
530.20618	0.8
539.19720	1.2
542.17847	0.9
543.18481	1.6
556.19214	4.7
557.19781	4.1
558.20697	3.3
570.21716	1.0
572.22589	1.0
644.24200	5.6
645.24811	5.6
658.25885	6.1
661.24695	1.5
676.26874	100.0
677.26538	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	676.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01865	3.0
55.05515	13.3
57.03154	1.0
57.03437	13.1
57.07082	1.1
61.02921	4.8
65.03938	2.5
66.84223	0.9
67.05506	39.9
69.03422	3.0
69.06717	1.5
69.07069	14.7
69.45742	6.1
71.04984	4.3
73.02928	1.8
79.05495	29.8
81.03419	45.2
81.07058	54.8
83.04981	12.4
83.08622	21.1
85.02909	19.4
85.06550	3.2
91.03964	1.6
91.05479	26.6
93.07046	39.3
95.04968	19.7
95.08614	12.6
97.02860	4.0
97.06529	8.3
97.10178	4.2
99.08084	2.3
105.04554	1.3
105.07035	17.0
107.04971	3.7
107.08595	17.6
109.06537	4.2
109.10171	3.7
111.04480	1.5
111.08094	11.0
113.06047	2.5
117.07030	5.0
119.08584	13.5
119.09364	1.3
121.06520	2.2
121.10149	17.6
121.11032	1.0
123.08103	1.5
123.11731	2.6
125.09651	2.3
127.04008	0.8
129.07004	8.0
131.08580	13.4
133.06482	1.6
133.10129	11.6
135.11710	5.6
142.07826	2.4
144.11198	0.9
144.12485	0.9
144.43474	0.8
145.10117	1.6
147.08043	2.4
147.11681	10.5
149.09607	5.0
149.13257	16.8
151.11226	1.0
157.10126	9.7
159.11681	7.5
163.76315	0.9
165.12810	2.0
175.11174	10.6
177.12785	2.7
193.12256	25.7
195.13777	6.0
205.77702	0.8
211.13292	42.1
267.15930	23.0
269.17480	65.5
285.16977	36.0
285.20212	1.5
435.27478	1.5
441.49109	0.9
443.28146	1.2
458.14767	0.9
461.29013	60.1
462.29663	1.5
469.14957	1.9
470.15659	3.0
471.16315	1.1
472.17242	1.4
479.30057	100.0
480.30017	1.9
481.14581	1.2
482.15729	1.5
483.16415	3.8
484.16757	2.8
485.17542	1.8
486.18561	2.9
495.16684	1.2
496.16901	6.9
497.17862	4.0
498.18384	9.1
556.19281	6.0
557.19452	1.7
558.20923	1.3
574.23309	1.5
618.22321	1.5
623.34662	1.3
644.24249	2.7
645.25409	1.5
646.22827	1.5
658.25604	2.2
661.24554	3.7
676.26886	71.0
677.26599	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	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46151	0.3
63.22403	0.3
65.12701	0.3
67.05508	0.3
79.05466	0.4
81.03413	0.3
81.07072	0.4
88.86478	0.3
91.05489	0.3
93.07040	0.4
108.62787	0.3
125.59496	0.3
146.91231	0.3
193.12221	0.5
223.43640	0.3
240.02177	0.3
260.99905	0.3
290.66541	0.3
298.25519	0.3
421.24490	0.3
429.09888	0.3
429.15515	0.4
443.17294	0.3
445.18997	0.4
453.15656	0.8
454.16550	0.9
455.13013	0.3
456.14145	0.5
457.14771	0.4
467.12555	0.5
467.17947	0.8
468.13766	1.8
469.14774	6.5
470.15674	1.5
471.16772	1.2
472.17920	0.3
479.30173	0.5
480.14224	0.4
481.14722	2.3
482.15836	8.4
483.16727	8.9
484.17499	1.1
485.18668	1.3
487.16513	0.4
495.16733	3.3
496.17560	5.4
497.18234	33.0
498.19028	3.0
501.17569	0.5
509.14285	0.4
510.19150	1.7
511.19836	3.9
512.20551	0.8
515.19562	1.0
523.15729	0.6
525.17920	0.4
528.16229	1.5
538.20148	1.0
541.17572	0.9
542.17841	1.8
555.18622	3.1
556.19525	2.4
557.20172	3.0
569.20276	0.7
571.22919	0.4
573.22949	0.8
583.21783	0.3
585.23560	0.6
616.21545	1.4
617.22296	1.0
625.23303	0.4
629.22382	0.6
643.24011	6.3
643.34717	0.3
644.24750	7.3
645.23462	1.2
657.25659	5.6
658.25995	0.3
660.23651	1.4
675.26617	100.0
676.26794	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
55.05516	10.5
57.03442	12.0
60.02228	1.0
61.02916	3.4
65.03938	2.0
66.57842	1.0
66.58244	1.0
67.05513	18.9
69.03418	4.0
69.07071	5.0
69.77492	6.0
71.05007	5.2
73.02907	2.0
79.05498	15.7
81.03425	76.7
81.07065	18.4
83.04995	9.8
83.08626	19.6
85.02910	14.8
85.06557	2.1
85.24677	1.1
91.03960	1.6
91.05489	23.0
93.07046	13.5
94.47498	0.9
95.04975	24.8
95.08617	7.3
97.02898	4.6
97.06552	2.0
97.10158	4.3
98.21482	2.1
99.08150	1.2
105.07037	18.9
107.04973	6.8
107.08586	7.6
109.06514	5.7
109.10170	3.1
111.04449	2.5
111.08085	7.5
112.41330	1.2
113.05993	1.0
117.06986	1.8
119.08598	17.6
120.90770	1.1
121.06547	3.0
121.10154	7.5
123.04476	1.9
123.08073	2.3
123.11745	1.1
125.09650	3.3
129.07033	11.1
131.08585	10.0
133.06497	3.1
133.10135	7.5
135.08076	1.5
137.09631	2.5
142.07787	2.3
144.10114	1.1
145.06564	2.7
145.10114	3.0
147.04205	1.0
147.08070	2.9
147.11685	11.4
149.02391	1.2
149.09639	5.9
155.08522	1.1
157.10133	13.4
159.08102	1.2
163.11264	1.6
165.12758	3.8
171.08165	1.3
171.11734	1.2
175.11200	12.2
176.61226	1.0
177.12776	1.3
193.12263	33.3
199.38115	1.3
211.13301	23.6
233.15503	1.4
237.12770	1.1
246.11438	1.2
249.14970	1.6
249.76601	1.0
267.15930	100.0
268.16284	1.2
273.14819	3.4
285.16992	24.3
285.20145	1.2
309.17084	1.7
339.23047	1.6
341.21271	1.2
349.21567	2.6
367.22726	9.3
385.23782	10.3
403.24817	2.5
405.24026	1.5
415.24646	1.4
433.25885	9.2
441.26407	6.6
459.27463	56.2
460.27765	1.9
477.28479	37.3
519.29523	1.2
585.30243	1.7
674.35095	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	674.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.4
55.05511	13.3
57.03441	14.8
61.02932	5.6
62.00630	0.7
63.45014	0.7
65.03928	0.9
67.05506	22.8
68.66409	0.7
69.03411	4.0
69.07069	7.1
71.04983	3.4
71.17954	0.7
71.56657	1.2
73.02885	1.3
79.05495	22.3
81.03418	88.7
81.07060	24.4
83.04982	11.7
83.08147	1.7
83.08618	23.4
85.02902	15.2
85.06534	1.0
88.87311	0.7
91.03960	1.9
91.05480	26.9
93.07040	16.5
95.04969	30.7
95.08609	9.9
97.02895	7.0
97.06516	2.9
97.10162	4.5
99.04440	1.0
99.08080	1.3
101.44090	0.7
105.07028	19.8
105.07693	1.6
107.04967	9.3
107.08588	8.9
109.06516	5.0
109.10155	4.7
110.57436	0.7
111.04430	2.8
111.08073	8.1
113.06006	1.4
115.05471	1.3
117.07005	3.8
119.04916	1.1
119.08578	19.4
121.06515	5.0
121.10120	8.7
123.04422	1.5
123.08076	3.4
123.11724	1.7
125.09629	1.6
129.07001	10.1
131.04912	0.9
131.08563	12.5
133.06499	4.2
133.10139	8.2
135.08040	1.0
135.11681	3.4
137.09622	3.1
142.07758	2.4
143.08549	1.4
145.06517	3.2
145.10141	3.4
147.04448	1.5
147.08057	4.4
147.11687	11.5
149.02341	1.2
149.09633	6.4
155.08542	1.4
157.10124	12.5
159.11659	1.7
161.06062	1.3
163.11176	3.7
165.12773	2.9
169.10143	1.4
175.11191	10.7
185.13278	1.1
189.11221	0.9
193.12241	28.7
211.13293	14.5
213.12796	0.8
227.12721	1.2
228.20871	0.7
228.23236	1.7
229.14233	1.3
241.14207	0.8
249.14809	2.1
255.13826	1.8
267.15912	100.0
268.16199	1.2
269.17450	4.1
273.14847	3.1
283.15384	5.4
285.16934	18.3
311.15848	0.8
323.19089	1.0
347.12607	0.9
349.21591	1.0
364.14252	1.5
365.13980	1.8
367.22739	8.7
385.23727	8.4
403.24850	1.5
405.24634	1.0
433.25919	10.6
441.26505	3.9
459.27438	52.2
460.27115	1.3
474.72919	0.9
477.28476	55.0
478.28671	1.4
483.21945	0.9
519.29395	1.9
571.03955	0.9
674.35278	3.9
675.36316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01868	1.1
55.05516	6.0
57.03444	3.5
61.02915	1.3
65.03946	1.0
67.05509	24.6
69.03434	0.7
69.07070	8.4
71.04990	1.6
71.56929	0.8
73.02900	0.8
73.06566	0.8
79.05495	25.2
81.03410	2.9
81.07058	25.6
83.04984	4.9
83.08627	5.1
85.02896	1.5
85.06534	1.1
91.05482	17.4
93.07047	31.4
95.04974	5.4
95.08614	10.8
97.02883	0.8
97.06543	4.1
97.10172	1.3
99.08121	0.6
105.03416	0.6
105.04507	1.0
105.07037	12.1
107.04956	1.9
107.08598	12.7
109.06531	2.2
109.10161	2.2
111.08106	2.1
117.06997	4.3
119.08583	7.5
121.06540	1.5
121.10159	5.4
123.08059	2.0
129.07014	4.8
131.08533	2.7
133.10129	4.5
135.11723	2.7
143.08549	2.1
145.10136	3.3
147.08061	0.8
147.11691	11.4
149.13252	8.3
151.11209	0.6
159.11714	4.5
161.09709	0.9
161.13269	4.0
171.11696	7.7
177.12747	2.0
189.12766	2.3
195.13869	2.5
207.13821	8.4
247.86348	0.6
269.17493	22.8
281.17484	22.2
354.11807	0.5
364.30899	0.7
413.21506	0.7
455.99802	0.5
457.29333	0.9
475.30576	100.0
476.31021	2.2
499.13040	0.6
511.14761	0.6
672.26465	0.7
687.17371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
53.23542	0.3
55.05512	4.6
57.03189	0.4
57.03440	4.3
57.07079	35.4
60.80087	0.3
61.02930	13.3
61.90505	0.3
67.05508	9.8
69.03440	1.5
69.07072	7.6
69.93787	0.3
69.94092	1.4
71.04983	0.7
71.08636	30.3
73.02924	4.5
75.04502	1.6
79.05480	0.9
81.03407	0.8
81.07063	13.4
83.03259	0.3
83.04970	0.4
83.08626	11.5
85.02911	14.5
85.06535	0.4
85.10188	18.0
87.04484	0.5
89.06034	0.7
91.03959	12.4
93.07029	0.7
95.08614	23.3
97.02898	7.5
97.10179	6.1
98.21459	0.4
99.04446	0.7
99.11748	1.4
103.07572	1.1
109.02876	0.6
109.10161	10.8
111.11727	1.4
113.13258	0.5
115.03902	0.7
117.09079	0.4
123.11726	5.0
124.31994	0.3
125.13276	0.9
127.03928	5.0
137.13261	2.0
139.14725	0.4
145.04964	5.2
151.14828	1.0
163.06013	9.4
165.16434	0.5
180.08781	0.3
221.22650	1.2
239.23709	19.9
257.24765	4.2
298.27271	0.5
313.27377	100.0
314.27756	1.5
324.46152	0.3
331.28442	34.4
332.28735	0.7
401.29089	0.6
475.32703	2.8
533.69458	0.3
648.32947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02193	0.8
67.05504	1.6
76.54571	0.9
81.03401	1.3
81.07044	1.0
81.55727	0.9
87.70983	0.8
91.05478	1.1
92.52814	1.0
93.07050	1.9
98.21545	2.0
104.32681	1.1
105.07044	1.4
108.03149	0.8
124.39629	0.9
131.07292	0.9
145.10175	0.9
209.10912	0.9
223.12393	0.9
235.30627	1.3
276.54172	0.8
365.17850	1.0
367.19208	1.6
395.18625	1.4
409.20471	1.2
409.72491	1.0
410.20712	1.0
423.17966	1.8
431.18896	1.4
435.21725	1.5
438.20581	4.5
446.20920	1.7
449.19467	1.7
451.21652	2.3
453.22729	8.0
459.22180	1.3
460.22726	1.2
463.21542	1.5
465.23026	1.5
469.26199	1.1
474.23880	1.7
476.22308	1.4
477.22739	2.7
497.25354	3.9
501.23129	2.2
502.23679	2.8
503.20474	1.2
507.23569	1.1
512.27783	3.5
520.24921	1.1
523.19751	1.3
524.23785	1.3
525.25073	3.2
529.21948	1.2
533.25104	2.4
538.25769	3.4
540.27393	8.4
545.25574	4.0
551.26978	2.6
561.24915	2.5
563.26721	1.3
579.26062	2.6
589.24829	4.7
593.27429	1.3
611.26385	3.4
639.28198	5.4
671.30743	100.0
672.31378	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01870	5.1
55.05511	29.1
57.03439	8.2
59.05008	1.8
61.02927	3.1
65.03925	2.5
65.52791	1.4
67.05506	34.0
69.03426	15.3
69.07073	12.2
69.74758	1.5
70.61471	4.8
71.04985	10.6
73.02929	2.3
79.05492	38.3
81.03419	63.4
81.07059	39.5
83.04980	18.9
83.08614	22.1
85.02882	10.4
85.06535	4.6
91.03971	2.4
91.05479	29.6
93.07043	29.1
95.04964	28.6
95.08607	19.2
97.02885	9.3
97.06544	9.0
97.10178	27.8
98.97562	1.5
99.04456	5.4
101.02334	1.7
103.05447	2.3
105.03410	5.3
105.07035	26.8
107.04961	22.3
107.08603	23.6
109.02859	4.6
109.06535	14.9
109.10149	10.3
111.04440	5.3
111.08067	8.1
115.05455	4.2
117.07035	12.2
119.04970	4.1
119.08591	19.1
121.06501	14.4
121.10130	16.7
123.04448	4.7
123.08083	5.9
123.11719	3.3
125.05994	2.9
125.09641	24.0
127.03930	5.2
128.06290	2.7
129.05458	4.3
129.07018	10.0
131.04932	5.5
131.08575	21.1
133.06494	6.3
133.10129	13.2
135.04399	2.3
135.08060	10.4
135.11684	6.5
137.09610	3.2
139.11218	2.2
141.06992	1.9
142.07750	3.7
143.08575	3.2
143.10732	1.9
145.06483	8.0
145.10159	7.4
147.04416	10.2
147.08054	6.6
147.11681	12.5
149.06047	2.8
149.09608	10.5
149.13266	2.0
153.06900	1.9
153.09109	3.4
153.12758	2.1
155.08565	3.8
157.06522	2.5
157.10149	11.4
159.08064	2.3
159.11710	2.9
161.09624	4.0
163.07448	1.8
163.11197	5.1
165.12845	3.9
166.78070	1.8
167.07092	1.8
169.10132	3.7
171.08092	2.4
171.10181	2.4
171.11659	3.2
173.04498	5.4
173.09650	2.2
173.13292	3.0
175.11195	9.1
177.12708	2.7
179.10574	2.4
185.09674	1.7
185.13202	1.8
187.14772	2.8
189.11272	9.0
189.12703	3.0
193.12231	21.2
197.13405	2.9
199.11247	3.1
199.13264	3.4
201.12798	2.4
205.12097	2.1
205.15915	2.8
211.13237	14.3
213.12842	3.7
215.14220	3.5
219.13828	4.3
225.12852	2.2
225.14801	3.4
227.12666	8.8
231.13860	2.0
233.15446	9.7
234.84659	1.5
235.13397	2.3
237.14772	2.3
249.14908	5.3
255.13828	2.4
259.13303	2.1
267.09085	7.1
267.15881	26.8
267.23672	1.4
271.06009	2.1
273.14835	6.5
285.10138	5.8
285.17007	5.9
287.05453	2.1
293.17465	3.3
318.67288	1.6
321.22186	1.9
339.22958	3.9
348.15192	3.2
349.21741	7.2
357.24261	3.4
364.16452	2.2
367.22681	27.0
373.17090	2.8
373.66968	2.1
375.25381	1.8
385.23721	34.8
393.19745	2.5
403.24820	13.0
423.25003	2.3
429.20944	2.6
441.26474	10.7
459.27402	94.8
477.28497	100.0
478.28564	2.4
491.30112	22.6
492.50180	1.9
501.28476	2.5
509.31165	15.8
570.69159	1.9
585.30646	2.5
603.31854	1.9
621.32458	7.1
639.33539	2.5
643.48956	1.7
653.35254	4.2
671.35870	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3515
Annotation	Hirsutellide A
Peak:m/z	Relative Intensity
55.01850	0.7
55.05514	2.0
56.96558	1.0
57.03442	1.9
61.02934	4.2
67.05508	10.0
69.03070	0.7
69.03432	3.1
69.07059	2.9
70.98009	0.8
71.54717	0.9
73.02918	3.2
73.71427	0.8
77.29102	0.6
79.05508	4.4
81.03429	5.1
81.07058	9.2
83.04975	1.7
83.08624	3.0
85.02905	4.6
87.04391	0.8
91.03967	3.1
91.05498	3.8
93.07061	8.2
95.04959	1.3
95.08614	2.4
97.02904	4.6
97.06516	1.4
97.10177	1.0
99.04438	1.2
105.07050	3.1
107.04935	1.1
107.08623	4.4
109.02901	1.9
109.06509	0.9
109.10145	2.9
111.08072	1.5
117.07015	1.7
119.08601	2.4
121.10168	3.2
123.08038	1.2
127.03921	2.2
131.08583	1.5
133.10161	2.3
135.11673	1.1
145.10098	1.2
147.11780	1.3
149.02354	0.8
149.13316	3.7
150.46526	0.8
159.11758	1.9
173.11809	0.9
184.67732	0.7
219.17638	0.9
229.14415	1.5
235.13112	1.7
243.08447	2.3
267.09048	2.1
269.17496	1.3
275.20056	1.4
285.10156	1.5
321.81320	0.8
349.23999	1.0
397.18976	4.6
453.21002	14.8
503.33578	3.1
633.85577	0.9
647.37836	0.9
665.35083	100.0
666.35583	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	667.33
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03941	0.6
55.01866	0.5
55.05507	1.0
56.96553	0.7
57.03440	2.1
61.02929	4.0
67.05509	3.6
67.28601	0.3
69.03433	2.5
69.07058	1.0
71.05000	0.5
71.56642	0.4
73.02921	2.2
79.05496	3.6
81.03418	4.1
81.07057	2.5
83.04961	1.4
83.08624	1.1
85.02905	5.1
85.06575	0.3
87.04443	0.3
91.03963	2.3
91.05482	3.0
93.07044	3.7
95.04962	2.1
95.08585	1.6
97.02892	3.5
97.06510	0.9
97.10181	0.5
99.04472	0.9
99.08093	0.3
101.02388	1.6
105.03419	2.5
105.07048	1.6
106.03755	0.3
107.04961	7.8
107.08601	2.0
109.02881	1.2
109.06529	0.5
109.10168	0.6
111.08070	0.7
116.94833	0.3
117.07037	0.3
119.08588	1.8
121.10157	1.6
123.04360	0.4
123.08082	0.4
127.03909	1.8
129.06981	0.7
131.04945	0.4
131.07635	0.3
131.08597	0.9
133.10126	1.7
135.11702	3.1
145.10112	0.6
147.04370	0.5
147.11713	1.2
149.09673	0.5
149.13286	0.4
157.10172	0.8
159.11765	0.4
163.11232	0.9
175.11224	0.7
179.00104	0.4
181.12282	0.7
185.04321	0.4
193.12212	1.3
197.01282	0.8
201.07530	0.3
203.05362	0.3
211.13298	0.6
221.11514	0.8
231.06998	0.3
242.11603	0.3
243.08479	1.4
251.12604	1.1
255.15976	0.6
267.08798	0.5
269.12424	0.7
285.10095	0.4
309.11798	0.3
321.19049	0.4
439.19421	5.2
463.08563	0.3
469.20416	8.0
539.12256	0.8
569.41479	0.3
635.79187	0.3
667.32990	100.0
668.33148	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01875	4.4
55.05515	37.8
57.03433	10.8
57.07074	7.3
59.53752	2.3
65.03934	3.9
67.05508	95.0
69.03418	3.6
69.07075	40.8
71.05002	4.1
71.08640	4.1
71.55074	3.1
74.36374	2.6
79.05069	3.9
79.05498	48.4
81.07059	100.0
83.04977	11.0
83.08621	23.7
87.04458	2.9
89.69588	2.6
91.05491	42.9
93.07047	57.6
95.04962	9.2
95.08613	56.3
97.06537	12.1
97.10172	9.8
105.07035	29.1
107.04971	5.6
107.08602	31.8
109.06492	3.7
109.10149	24.6
111.08075	5.7
117.07052	13.0
119.08596	24.5
121.10132	23.8
123.08080	2.9
123.11713	9.3
129.06990	5.5
131.08546	20.7
133.10147	20.1
135.08046	4.1
135.11700	15.4
137.09581	3.5
137.13249	3.0
139.11095	3.4
143.08549	2.8
145.10153	12.8
147.11688	10.4
149.09709	3.4
149.13263	11.3
157.10138	4.3
159.11693	9.7
161.13268	7.1
163.11147	3.5
165.12793	3.0
171.11758	5.0
173.13315	4.3
195.13829	3.4
199.14816	4.4
225.44902	2.5
245.22720	2.8
255.15985	9.9
257.19083	7.5
263.23621	7.0
267.15759	3.1
269.17618	14.3
275.20126	22.6
293.20917	2.6
331.22589	3.3
334.36743	2.9
337.27399	81.4
349.23770	14.7
423.48026	2.5
491.37595	4.4
496.26660	4.0
517.38971	18.5
531.40466	74.2
552.33331	3.1
571.43304	10.1
608.38959	6.5
611.46625	13.9
611.54773	2.7
629.47473	4.8
664.46918	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
57.03435	1.4
61.02932	3.4
67.05508	3.9
69.03436	1.6
69.07075	0.9
70.03136	1.8
71.04998	0.5
71.05785	0.4
73.02914	2.6
79.05499	2.4
81.03426	1.6
81.07049	5.2
83.04965	1.1
83.08619	1.0
85.02915	4.0
87.04496	0.5
91.03951	2.2
91.05485	2.0
93.07040	3.6
95.04964	0.6
95.08618	1.9
97.02880	3.5
97.06547	1.1
98.20835	0.6
99.04434	0.8
101.02387	0.9
105.03398	0.8
105.07040	0.9
107.04929	0.5
107.08578	2.0
107.70727	0.4
109.02908	0.8
109.06528	0.7
109.10201	0.5
117.07021	1.2
119.08591	0.8
121.10174	1.5
123.07980	0.4
127.03929	1.3
129.21501	0.4
131.08592	1.0
133.10124	1.5
135.11746	0.8
145.05037	0.4
145.10129	0.4
149.09598	0.4
149.13274	1.9
157.10211	0.4
159.11729	0.9
185.04086	0.4
195.13838	1.5
203.05212	0.4
235.13086	1.6
243.08472	1.7
245.07115	0.4
269.17383	2.0
275.20386	0.6
453.20959	18.6
470.20813	0.4
559.19519	0.5
665.35065	100.0
666.35992	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	0.7
69.07115	0.6
69.39889	4.1
76.75327	0.7
81.07066	0.5
84.04515	0.6
89.37343	0.5
95.08606	0.7
98.21486	0.9
106.26890	0.5
121.10189	0.5
222.33957	0.5
223.12408	0.6
225.13857	0.7
251.15503	0.7
264.15070	0.6
364.52213	0.5
367.19543	0.8
379.19284	0.9
380.25226	0.7
381.17062	1.2
393.21085	0.7
395.18781	1.5
407.18552	1.0
409.20392	0.7
421.20139	1.2
422.20853	1.1
425.23633	0.9
434.20929	0.6
435.22122	0.8
436.23199	0.7
437.23718	1.1
438.20422	3.3
439.21255	1.5
445.20316	0.6
447.22144	0.8
449.23318	1.8
451.21231	1.1
452.22842	0.7
453.22882	6.8
454.23917	1.0
459.21844	1.2
460.22836	0.8
461.23886	1.0
462.20569	0.7
465.23096	1.3
469.26205	2.2
474.23981	1.0
476.22122	1.5
477.22791	2.0
479.20905	1.5
481.22141	0.6
483.24051	1.1
493.22360	1.1
495.23926	1.0
497.25403	3.7
503.20901	1.1
505.19095	0.8
507.23953	0.8
509.25739	0.8
510.26398	0.8
512.27527	3.4
520.24976	1.4
521.21735	0.7
523.19611	1.0
523.27496	0.7
525.25250	2.7
529.22467	0.7
533.25439	1.9
535.27252	1.2
536.24457	0.8
537.25024	1.1
538.25543	3.2
539.26105	0.8
540.27295	7.3
541.27917	0.8
545.25214	1.5
551.26471	3.3
561.24683	2.4
563.26910	2.6
579.25830	1.5
583.28503	0.7
589.24469	2.9
593.27332	1.2
607.25635	1.9
611.28882	3.1
639.28235	8.0
671.30762	100.0
672.31195	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53349	3.0
53.03946	6.0
55.01886	5.6
55.05518	33.9
57.03449	16.5
57.07077	11.8
65.03927	5.9
67.05509	94.4
69.07071	34.8
69.43028	17.7
71.04982	5.5
71.08625	9.2
79.05498	70.8
80.19335	2.6
81.03396	2.8
81.07063	100.0
83.04980	9.1
83.08607	20.2
85.10153	2.6
89.89233	2.5
90.31995	2.2
91.05486	46.1
93.07052	64.2
95.04977	7.2
95.08611	66.2
97.06522	8.8
97.10175	16.8
98.21581	5.0
99.08106	8.1
101.02296	2.5
105.07032	42.5
107.04920	4.2
107.08598	39.3
109.06540	7.0
109.10167	32.9
111.08096	5.7
115.05467	2.6
117.07034	16.3
119.06042	2.0
119.08586	30.8
121.06483	3.3
121.10152	26.6
123.08133	2.9
123.11697	7.9
125.09630	11.7
129.06995	5.7
131.08565	18.9
133.10167	22.6
135.08008	3.4
135.11703	15.0
137.13222	5.3
139.11168	3.1
143.08549	8.3
145.10127	18.0
147.11694	17.5
149.09601	6.1
149.13257	8.9
157.10185	3.5
159.11679	15.0
161.13255	6.9
163.11208	6.5
165.12836	3.3
171.11693	3.6
173.13313	7.0
175.14847	3.6
177.12732	3.1
179.14326	4.8
185.13258	3.4
187.14885	2.6
189.11285	4.4
203.14342	3.2
215.13724	3.0
227.12872	17.5
229.14308	3.9
239.17862	3.3
243.21219	2.9
257.18951	6.8
259.20474	3.4
261.22070	3.0
263.23645	3.7
269.17490	11.2
275.20090	17.8
277.21643	4.8
279.23190	3.6
292.99313	2.7
293.21393	2.8
305.79437	2.4
318.01465	2.3
327.07977	3.2
335.25757	15.3
337.27408	48.2
349.23685	18.6
351.25201	6.0
353.26917	5.9
364.52274	2.4
384.14282	4.4
440.20605	4.2
489.36313	3.3
491.37268	7.0
496.27042	3.6
507.36850	4.4
529.38928	21.9
531.40546	5.2
552.33411	4.0
571.43304	3.5
605.42645	2.9
608.39233	3.5
611.46771	25.5
629.47198	3.8
664.47552	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	664.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.2
57.03440	9.5
57.07077	18.4
58.41470	0.9
59.04995	2.3
61.02919	4.1
65.03929	0.8
67.05505	54.1
69.03421	1.0
69.07075	5.3
69.89574	2.6
71.04981	2.4
71.08630	15.5
73.02917	1.7
79.05479	2.1
81.07051	14.0
83.08197	1.0
83.08628	8.5
85.02898	4.2
85.06530	2.1
85.10185	9.6
89.06049	1.3
91.03929	2.2
91.05473	3.1
93.07029	2.1
95.08609	12.5
97.02898	2.1
97.10167	2.6
98.21445	1.6
100.45134	0.8
103.07539	1.0
107.08584	0.7
109.10158	57.7
111.08065	2.3
119.08585	4.2
123.11740	1.7
137.09613	1.9
137.13322	1.0
141.46545	0.7
155.10719	4.2
160.90823	0.7
173.11737	14.7
229.14352	100.0
239.23703	1.6
257.24796	1.6
313.27359	74.2
314.27667	1.7
318.38565	0.8
467.37344	61.2
468.37997	1.2
664.46783	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70040	0.4
53.05434	0.4
57.07080	48.4
57.07466	1.7
67.05474	1.0
69.07034	0.5
69.83739	2.4
77.03939	0.6
79.05452	0.7
79.41977	0.4
81.07013	1.1
87.04416	1.1
91.05480	6.1
93.07021	0.5
95.04932	0.6
95.08595	0.5
98.21472	0.6
102.20011	0.4
105.07029	2.3
107.08559	0.4
117.07000	0.8
119.08550	1.9
120.85478	0.4
131.08563	0.4
132.09320	0.9
133.10039	0.7
147.10677	0.5
147.11702	7.0
152.06218	0.8
153.07010	3.5
171.08069	0.7
175.01534	0.5
215.02553	0.7
228.09340	0.8
229.10075	1.3
233.03589	4.1
251.04692	14.6
307.10962	2.1
308.98386	0.5
315.77448	0.4
327.07819	100.0
328.07962	1.6
383.14075	74.4
384.14307	1.5
398.50391	0.5
439.20367	74.2
440.20746	1.8
495.26620	66.4
496.27029	1.5
551.32886	88.3
552.33350	1.9
580.73212	0.6
607.39136	78.5
608.39966	2.3
663.45392	21.7
668.40149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.0
55.01868	5.1
55.05275	3.5
55.05513	43.7
57.03436	18.3
57.07069	9.1
65.03928	5.3
67.05507	100.0
67.87727	2.3
69.03439	2.6
69.06733	2.8
69.07073	41.7
69.39196	16.6
70.06612	2.2
71.04977	7.5
71.08624	2.2
77.03943	2.5
79.05497	90.0
81.07055	97.0
83.04976	6.1
83.08616	18.2
85.06543	3.3
87.04475	26.8
91.05486	63.5
93.07048	86.3
95.04961	8.1
95.08611	68.9
97.06522	11.6
97.10184	22.1
105.07034	59.1
107.04946	5.3
107.08601	54.3
109.06493	7.8
109.10163	32.8
111.08083	6.4
115.05457	3.5
117.07039	21.4
119.08587	40.5
121.06496	4.6
121.10145	33.8
123.11713	11.7
125.09627	14.8
128.06197	2.3
129.06996	7.9
131.08575	32.6
133.10126	37.0
135.08032	4.1
135.11687	21.4
137.09642	5.6
138.12772	3.0
139.11116	2.3
141.07002	2.6
143.08545	10.1
145.10132	24.8
147.11688	26.5
149.09639	11.0
149.13222	8.8
155.08485	3.1
157.10110	8.7
159.11711	18.0
160.20607	2.1
161.13222	9.2
163.11261	6.0
169.02551	2.3
169.10085	3.6
171.10242	2.2
171.11676	6.6
173.11880	2.9
173.13232	12.4
175.14752	5.5
177.12793	2.5
179.14359	3.1
183.11667	2.3
185.13225	9.0
187.14796	6.0
189.11230	8.2
191.14233	2.7
197.13222	4.0
199.14807	3.7
201.16368	3.5
203.14395	3.4
211.14726	2.5
219.17459	4.5
227.12794	32.5
229.14211	3.1
229.19453	3.5
233.18880	3.5
239.17947	5.3
243.21114	5.2
247.20605	2.6
257.18942	11.8
259.20541	3.9
261.22015	12.2
267.15897	6.7
275.20062	48.3
291.19217	2.1
331.22705	3.9
335.25809	95.5
349.23758	46.8
431.31259	2.4
489.35529	11.4
505.35034	10.4
513.39465	4.6
515.37463	2.5
529.38806	6.7
569.42218	3.8
609.45306	42.7
627.46204	5.4
644.48492	2.9
662.34882	2.6
662.46552	13.2
663.47229	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	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
53.83524	0.7
55.01875	2.7
55.05512	16.8
56.96547	1.0
57.03156	1.1
57.03441	20.9
57.07074	1.3
61.02930	4.3
65.03941	1.4
67.05506	47.6
68.14265	0.9
69.03424	3.1
69.07070	11.2
71.01006	0.8
71.01350	3.6
71.04999	4.5
71.89558	0.8
73.02911	2.2
77.03918	1.1
79.05494	43.6
81.03419	49.8
81.07058	30.1
83.04984	19.1
83.08624	16.9
85.02908	16.8
85.06544	3.3
86.09690	1.3
87.54933	0.7
91.03960	2.9
91.04897	1.8
91.05481	31.4
93.07046	47.8
95.04974	20.6
95.08607	11.4
97.02898	3.3
97.06535	11.4
97.10159	11.0
98.97539	0.8
99.04496	1.3
99.08091	1.6
105.03406	1.4
105.04475	1.4
105.07040	17.4
107.04968	7.3
107.08602	30.8
109.02836	0.9
109.06509	3.4
109.10159	6.8
111.04453	1.4
111.08079	8.4
113.06023	2.5
115.05441	1.3
117.07027	4.9
119.08581	16.9
119.09369	1.4
120.56291	0.7
121.06530	2.4
121.10146	11.1
123.08099	1.5
123.11717	1.8
125.09621	2.2
128.06233	1.0
129.07031	8.0
131.08553	8.7
133.06473	2.3
133.10136	8.6
135.08160	1.1
135.11697	44.4
137.05957	1.1
137.09608	2.7
142.07797	2.0
145.10112	12.2
147.08072	2.7
147.11693	9.6
149.09598	4.4
153.12740	2.0
157.10141	10.4
163.11198	7.6
165.12820	2.4
175.11200	12.6
181.12250	10.1
183.99821	0.8
184.07376	3.5
193.12251	29.9
199.13475	1.3
211.10236	1.1
211.13303	37.8
255.15919	100.0
256.16245	1.1
267.15909	22.6
285.16959	24.6
330.44647	0.8
372.61087	0.9
390.34933	0.8
402.16977	1.6
402.48767	0.8
416.18799	1.1
417.15155	1.1
421.25937	2.0
429.15274	1.2
430.16089	3.2
431.17014	3.0
432.17593	6.9
444.17581	3.2
445.18256	3.2
447.27417	39.2
457.15204	2.9
458.15265	8.3
459.15378	1.1
465.28488	99.8
466.28958	1.4
472.16754	3.9
473.17731	5.4
490.17868	1.4
497.17831	2.3
498.18884	3.7
504.20175	1.0
522.04535	0.8
525.17261	1.2
529.20636	1.1
557.19910	1.9
559.20917	1.3
560.22809	1.3
561.22900	1.2
588.21899	1.1
591.24133	2.4
598.19891	1.4
619.23645	12.1
620.24121	8.5
630.22791	9.6
662.14081	1.8
662.25281	38.3
663.24902	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15997	2.0
53.03941	5.7
55.01868	4.4
55.05506	11.7
57.03447	26.6
57.07079	5.2
61.02932	79.2
65.03947	2.7
67.05507	54.8
69.03438	36.1
69.07073	21.0
71.01360	4.1
71.04989	6.1
71.08632	3.8
71.54650	2.0
71.55046	1.9
73.02916	25.5
79.05499	16.2
81.03429	30.2
81.07063	61.9
83.04983	5.4
83.08626	14.9
85.02910	100.0
85.06562	2.5
87.04494	4.4
91.03963	55.0
91.05486	12.9
93.07051	19.0
95.04977	5.6
95.08610	39.9
95.09178	3.5
97.02896	82.5
97.06543	4.2
97.10181	8.3
99.04469	17.1
99.08086	2.6
101.02380	9.6
103.03949	10.7
105.07030	11.7
107.08597	9.6
109.02899	14.1
109.10162	17.8
109.40559	2.1
111.04455	3.8
111.08139	1.9
115.03944	6.3
117.05553	2.3
117.06999	2.7
118.00262	2.4
119.08631	10.2
121.10131	9.1
123.11661	9.3
125.09682	3.2
127.03925	39.8
129.05476	6.1
131.08597	3.6
133.10117	6.9
135.04440	2.0
135.11716	7.2
137.06056	1.9
137.13274	4.7
143.08549	2.5
145.04971	24.6
147.11690	7.0
149.13280	5.5
151.11122	2.5
159.06564	4.9
159.11656	2.5
161.13284	6.2
163.06049	7.8
163.14798	4.4
165.16386	2.8
173.13452	2.8
175.14857	4.4
179.79196	2.3
183.06546	14.1
201.07594	9.5
245.22624	10.6
261.21942	2.6
263.23721	23.9
286.46698	2.1
317.24631	2.1
329.24686	2.0
337.27402	95.9
353.24893	4.2
365.26776	2.8
367.98312	2.2
371.25739	3.6
377.70459	2.0
379.28333	3.3
418.90558	2.0
421.29440	2.7
427.28473	2.2
445.29504	4.6
448.67053	2.0
455.90921	2.0
463.30533	8.5
481.31598	12.5
499.33115	3.2
661.37042	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	662.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01866	3.4
55.05497	1.7
65.03938	2.2
67.05483	4.0
69.03410	1.6
69.07062	4.6
69.36331	8.5
75.04485	1.5
77.03947	1.3
77.44495	1.1
78.04714	1.5
79.05494	5.6
79.45139	0.9
81.03406	4.4
81.07059	10.9
83.08614	1.5
85.02902	4.6
86.09720	1.1
86.25352	0.9
89.06036	2.0
91.05479	10.3
93.03410	7.1
93.07054	6.3
95.04964	4.1
95.08596	4.5
97.06532	2.5
97.10138	2.4
103.05475	9.8
105.03410	3.0
105.07013	6.5
106.04179	14.3
107.04960	4.9
107.08588	3.6
109.02885	1.7
109.06522	1.4
109.10146	1.3
111.04414	1.4
115.05456	3.9
117.07018	2.0
118.04150	2.4
119.04939	2.3
119.08583	2.3
121.06509	18.0
121.10139	3.4
123.04415	2.9
123.11718	1.5
124.05158	1.2
125.05999	6.8
131.04939	10.3
133.06485	4.2
133.10123	1.1
134.03632	2.9
134.53252	1.0
135.08017	2.1
137.05983	3.3
137.13225	1.2
139.07533	1.9
144.05730	1.3
145.02853	1.7
145.06450	2.7
145.10141	1.1
147.04395	3.7
147.11673	1.2
148.05176	6.1
149.05988	29.1
151.03908	3.3
153.05487	3.7
153.09084	7.6
159.08063	1.9
161.05980	5.8
163.07576	9.9
167.07043	26.8
173.06009	3.0
175.07504	2.2
176.04689	1.3
177.05475	19.5
181.04968	31.7
181.08578	17.7
184.07294	2.2
191.07027	38.6
193.08641	1.2
195.06540	1.9
201.05423	1.2
203.07005	1.4
207.06511	1.2
209.08093	100.0
219.10130	2.7
233.08090	2.6
235.09659	3.6
235.50262	1.1
245.08095	1.7
250.06149	1.0
263.09146	11.8
267.08987	1.0
271.75949	1.0
279.10297	1.3
295.09763	1.8
304.23578	1.2
311.03311	1.2
313.16403	1.3
325.10410	1.2
357.13470	3.1
369.14096	1.2
384.11896	1.2
385.12820	4.7
399.14655	1.9
414.14200	1.1
417.15576	7.7
445.84882	1.5
662.36780	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	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01868	0.8
55.05523	4.0
56.99074	0.6
57.03442	3.7
57.07068	0.7
61.02916	1.9
64.54448	0.6
65.03945	0.7
65.35522	0.7
67.05506	24.4
69.03423	1.3
69.07072	8.8
71.04977	1.6
71.56850	1.2
73.02914	1.0
79.05076	0.8
79.05499	13.5
81.03420	1.9
81.07061	32.0
83.04971	2.3
83.08616	7.1
85.02895	2.3
85.06528	2.3
91.03972	0.6
91.05482	10.2
93.07049	26.3
94.07382	0.7
95.04415	0.6
95.04937	3.2
95.08617	9.9
97.02891	1.4
97.06531	4.6
97.10191	1.0
99.08105	0.8
101.70395	0.7
105.03388	2.8
105.07017	5.3
107.04950	1.6
107.08602	12.8
109.06514	1.2
109.10167	2.2
111.08073	2.9
117.07010	4.6
119.08582	2.0
121.06499	0.8
121.10163	6.8
123.11723	1.8
129.07056	1.3
131.08586	6.0
133.10150	5.8
135.08032	1.2
135.11707	5.4
136.82991	0.7
143.08536	1.0
145.10114	1.5
147.11690	1.7
149.13261	10.1
155.08585	1.1
157.10062	1.6
159.11716	7.0
171.11737	0.7
177.12756	2.2
195.13828	6.5
251.16443	1.2
269.17484	24.5
353.24884	1.6
371.25851	1.0
389.27200	1.0
445.29492	11.3
463.30554	100.0
464.30890	1.9
481.31506	1.1
606.97369	0.9
607.34790	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
60.11408	1.0
67.05492	3.0
69.03425	1.2
69.07066	1.9
75.31864	1.1
79.05480	3.0
81.03424	2.9
81.07047	3.7
81.18965	1.1
82.07808	1.2
83.08630	1.3
85.02910	1.7
91.05450	2.2
93.07050	3.3
95.04972	2.2
95.08639	1.7
98.80500	1.0
105.03423	5.2
105.07031	2.1
107.04969	9.8
107.08589	2.8
109.10218	1.9
111.08050	1.2
121.10149	2.3
133.10132	1.7
137.13185	1.1
147.04410	1.9
147.11731	1.5
161.43274	1.2
211.13345	1.3
271.05951	1.8
281.09546	1.3
285.10074	1.9
324.61487	1.4
373.14972	1.5
375.15521	2.3
401.16162	5.0
415.13391	2.4
415.18146	2.7
416.14752	3.4
418.16568	2.1
419.16888	2.0
429.15677	10.0
430.16840	2.7
431.17258	26.2
443.12808	3.0
443.17258	6.5
444.18399	9.6
454.16534	1.5
456.14749	1.3
457.14954	30.2
458.15680	2.1
459.17236	1.6
465.28329	1.8
468.18024	2.1
471.16833	11.7
472.17450	15.4
473.14252	1.3
475.20261	5.5
485.14481	1.2
488.16672	2.0
489.17706	3.5
496.17166	2.9
497.18375	9.3
499.15424	2.7
500.16733	2.3
503.19223	2.6
504.19983	1.8
510.19247	1.2
514.19189	1.3
517.20667	2.4
524.16913	4.0
528.20325	1.6
531.22607	2.2
556.19421	4.0
558.21106	3.5
560.22046	2.3
569.20538	1.6
587.21356	3.3
590.24298	6.5
597.19342	3.5
601.22382	1.2
618.23120	29.5
619.13800	1.1
619.23981	24.7
629.22473	27.9
661.24854	100.0
662.25098	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	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10373	0.7
53.03922	1.9
54.57492	0.7
55.01846	1.4
55.05517	6.1
57.03445	6.9
57.07040	2.2
61.02886	2.4
65.03906	1.9
66.33852	0.8
67.05507	31.3
69.07071	12.3
70.06606	3.9
70.95205	1.6
71.04951	2.6
73.02892	0.9
79.05498	19.0
81.03372	1.3
81.07063	40.9
83.04978	4.0
83.08628	8.5
85.02885	1.9
85.06497	2.7
88.07661	4.8
89.07951	0.9
91.05483	9.3
91.61057	0.8
93.07051	29.3
95.04948	3.0
95.08618	12.3
97.06525	7.6
98.21492	0.8
99.08091	1.4
100.34478	0.7
102.09149	3.2
103.09486	1.1
105.04561	0.8
105.07049	3.7
105.60320	0.7
107.08604	19.0
109.06501	1.2
109.10123	2.4
111.08076	4.2
117.07056	4.6
119.08540	1.7
121.10149	11.4
123.11676	1.1
125.09606	1.1
131.08556	4.8
133.10124	6.3
135.07979	0.8
135.11699	4.7
139.11171	1.0
147.11737	1.2
149.02351	5.8
149.09686	0.8
149.13268	20.3
150.02647	3.0
151.11174	0.8
159.11703	7.4
166.39587	0.8
177.12747	3.5
193.04965	7.8
194.05301	4.9
195.13788	4.9
237.07629	2.0
238.07838	1.1
256.26331	4.6
257.26733	4.4
258.26987	2.7
269.17484	53.4
273.57837	0.8
294.21649	0.8
342.06717	0.9
343.07056	0.9
386.09491	2.2
387.09787	2.9
430.12265	2.6
431.12473	3.0
463.30576	100.0
464.31003	1.9
548.34082	1.0
584.10907	1.1
660.25696	1.5
660.36462	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	659.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25195	0.6
56.96564	21.8
56.96825	0.9
62.42240	0.7
67.05462	3.2
67.40546	0.7
69.07032	1.0
69.26683	6.9
71.95261	4.7
72.96030	0.9
74.19201	0.6
79.05444	2.7
81.03379	1.2
81.07011	2.7
85.02882	0.7
90.96310	0.8
91.05395	1.0
93.07029	1.7
94.86988	0.6
95.08566	2.1
97.96797	0.9
98.21487	1.4
98.97541	1.6
103.75690	0.6
105.07009	1.2
105.99295	0.7
107.04909	0.9
107.08546	1.4
110.97538	2.8
115.00735	0.7
116.98614	0.8
128.98595	2.6
131.08513	1.0
133.10092	0.9
137.02719	1.7
146.99597	1.1
155.03745	0.9
173.04845	1.2
181.05351	2.0
183.06935	1.3
185.04839	2.5
187.06403	1.2
195.06940	2.3
199.06393	6.1
201.07909	2.4
203.05916	1.8
205.07309	0.9
211.06374	4.1
213.07985	27.1
214.18011	0.8
215.18346	1.1
217.07535	5.4
218.93301	0.7
219.09009	0.9
223.08388	0.9
225.08015	3.2
227.09499	1.3
229.07487	30.0
231.09047	23.6
236.09517	2.8
240.20592	0.8
241.07304	1.6
243.09036	17.6
245.10570	1.5
247.08559	14.7
248.71869	0.8
252.09152	4.1
254.10687	1.9
255.08949	1.2
259.09372	0.9
261.10086	9.0
266.10590	2.2
267.08966	1.5
279.12762	0.8
280.09760	1.8
281.13971	0.9
285.10043	1.0
297.13873	3.5
298.10666	1.0
307.15912	1.4
313.14642	1.9
315.14865	1.7
321.17542	0.9
331.15793	18.4
349.16855	100.0
367.17947	29.1
372.18463	3.6
390.19528	14.6
392.58759	0.7
463.30460	2.7
521.28094	1.3
542.64105	0.9
659.38293	36.1
660.38672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08386	0.4
56.96567	29.9
66.89739	0.5
67.05458	1.2
69.07053	0.6
69.52840	1.1
69.53261	2.1
70.95958	0.4
71.95269	4.7
72.96041	2.1
74.97600	0.6
79.05461	1.6
81.07046	0.7
84.96019	1.1
91.05450	1.1
93.07000	0.6
95.04931	0.6
96.28178	0.5
97.96814	1.3
98.20707	0.4
98.97560	1.9
105.00111	0.8
105.06982	0.7
107.08575	0.6
109.10132	0.5
110.97571	3.5
115.00674	0.8
116.98618	0.9
119.08501	0.6
123.01188	0.6
127.00629	0.5
128.98589	2.5
137.02730	1.9
139.00655	0.8
141.02180	0.5
143.00137	0.6
145.01759	0.5
146.99603	1.5
147.03244	0.6
153.02231	0.5
155.03738	1.9
157.01717	0.5
161.01172	0.6
165.02263	0.5
167.03767	0.6
169.01682	0.9
169.05351	0.5
169.25389	0.4
171.03319	1.0
173.04840	0.8
179.03777	0.6
181.05321	1.3
183.03285	0.9
183.06914	1.9
185.04845	3.0
185.08459	0.8
187.02876	0.6
187.06375	1.2
189.04355	0.5
193.05354	1.1
195.06856	4.1
197.04846	0.8
197.08479	0.7
199.04686	0.9
199.06425	12.0
201.04225	0.8
201.08023	4.4
203.05894	2.0
203.09525	0.9
205.07472	1.3
209.04674	0.7
211.06409	9.7
213.07985	44.3
215.05853	0.7
215.09564	0.6
217.05412	0.6
217.07484	8.9
219.09068	1.3
222.08020	1.3
223.02696	0.6
223.06366	0.6
223.08464	0.5
224.09526	0.5
225.04292	0.6
225.07918	3.9
227.05589	0.4
227.09523	1.3
229.07484	73.4
230.07910	0.6
231.09045	39.3
234.08014	0.4
236.09596	5.0
237.04291	0.7
237.07883	0.5
239.06010	0.7
239.09601	0.6
241.07463	1.2
243.09056	24.0
245.10663	1.2
247.08548	35.6
251.05817	0.6
252.06601	0.8
252.09074	8.4
254.10637	2.8
255.08859	0.8
257.07089	0.5
258.08032	0.6
259.08743	0.6
261.07425	1.0
261.10104	13.5
262.08441	0.4
265.11136	0.9
266.10611	2.4
267.09009	1.1
269.10532	1.2
270.10123	1.7
280.09726	1.0
284.11676	0.8
285.09995	1.0
293.11346	0.6
303.16162	0.7
313.14691	2.0
331.15735	13.4
332.16318	0.5
349.16867	100.0
350.17148	1.4
351.19977	0.6
367.17926	44.2
368.18356	0.5
372.18542	2.1
387.79968	0.5
390.19522	18.0
391.19540	0.7
463.30017	0.5
521.27936	9.8
547.77466	0.5
641.37189	1.0
659.38318	57.1
660.38788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96466	10.7
56.96783	2.9
63.96044	0.3
66.38878	0.3
67.05399	0.8
69.06956	1.1
70.25713	1.2
71.95145	1.8
72.95966	0.5
72.96320	0.4
74.97536	0.5
76.87853	0.3
78.84069	0.3
79.05376	4.0
79.05871	0.5
81.06938	0.8
83.08551	0.3
84.95949	0.6
90.66032	0.3
91.05349	0.9
93.06933	0.8
95.08521	0.4
97.96729	0.6
98.97453	1.9
103.00606	0.6
105.00040	0.4
105.03294	0.3
105.06946	0.5
107.08447	1.5
110.97559	3.7
112.99046	0.4
115.00573	0.4
116.98498	0.8
118.33189	0.3
119.08452	0.3
123.01064	0.5
124.87048	0.3
128.98605	4.5
128.99489	0.3
129.02180	0.3
131.00064	0.3
134.18161	0.3
137.02629	0.5
141.02119	0.4
143.00017	1.0
146.99678	2.0
147.03200	0.4
151.04222	0.4
153.02078	0.8
155.03621	0.9
157.01593	0.5
159.03142	0.5
161.01111	1.2
165.02200	0.4
167.03625	0.8
169.01639	0.6
169.05260	0.6
170.01253	0.3
171.03311	2.1
173.04887	1.7
175.02727	0.5
179.03636	0.3
181.05263	0.8
183.03142	0.8
183.06827	0.5
185.04866	2.7
187.02644	0.5
187.06326	0.8
189.04294	1.4
191.05807	0.8
193.05264	0.3
194.92253	0.3
195.06790	0.9
197.04790	0.5
197.08331	0.7
199.02660	0.3
199.06429	5.7
201.04303	0.3
201.07886	0.9
202.05011	0.5
203.05913	2.5
205.01768	1.6
205.05681	0.3
205.07491	2.7
207.03209	0.4
210.01923	0.7
211.02582	0.4
211.06342	1.4
212.03525	0.4
213.04314	0.4
213.06160	0.3
213.07983	5.7
215.05861	0.6
215.09464	0.6
217.07494	5.3
217.10666	0.4
219.08917	0.4
222.07968	0.7
223.02821	4.4
223.06343	0.7
223.08417	1.4
225.04187	1.0
225.07967	2.4
226.04980	0.4
227.05818	1.2
227.09406	0.5
229.07469	6.4
231.09053	4.4
235.06328	0.4
236.09599	0.6
237.04366	1.5
237.07912	1.1
238.05019	0.6
239.05754	0.5
239.09477	0.7
241.03687	0.3
241.07283	0.3
242.04468	0.4
243.09055	12.4
245.06990	0.6
246.04395	0.4
247.08559	2.4
251.06206	0.3
251.09499	0.7
252.08911	0.5
253.07518	0.4
253.11046	1.0
255.09079	5.2
257.10577	0.4
261.10165	5.1
262.08679	2.2
265.10736	0.4
266.10574	1.6
267.08878	0.4
268.09665	0.7
269.10519	1.2
271.12164	0.4
273.10086	2.0
277.07623	0.3
278.10562	0.6
279.06174	0.4
279.09058	3.1
280.09863	5.9
281.10599	1.4
295.08380	0.4
297.10046	1.8
297.13629	0.6
298.10861	2.1
301.10754	0.3
302.10739	0.3
303.11621	0.6
303.16342	0.8
307.15753	0.4
313.14584	0.6
319.15732	0.6
321.17285	0.6
329.14191	0.4
331.15793	37.9
332.16226	0.7
349.16861	100.0
350.17264	1.2
367.17932	36.7
368.18454	0.6
372.18481	6.7
385.18750	0.4
390.19525	11.1
391.19733	0.4
463.30856	1.2
641.37012	0.9
659.38501	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97057	0.3
55.05495	0.3
56.96568	21.7
56.96840	0.9
57.91361	0.3
61.53695	0.3
65.81168	0.4
67.05469	1.3
71.95270	3.4
72.72655	0.4
72.96063	1.5
74.97621	0.3
79.05460	1.3
81.03407	0.6
81.07040	0.9
84.95995	1.1
85.02895	0.4
91.05457	0.7
93.07043	0.5
95.08583	0.4
97.96825	1.4
97.99134	0.3
98.97630	1.5
105.00134	0.3
105.23315	0.3
107.08575	0.4
110.97550	2.6
111.98358	0.4
115.00684	0.7
116.98553	0.6
119.01710	0.5
119.08578	0.4
123.01131	0.5
127.00684	0.5
128.98608	2.0
131.00159	0.4
131.08569	0.4
131.35329	0.4
137.02733	1.3
137.28329	0.4
139.00571	0.5
141.02242	0.6
143.00177	0.5
145.01654	0.4
146.99600	0.7
151.00681	0.5
151.04225	0.5
153.02295	0.5
155.03780	1.6
157.01706	0.4
159.03284	0.4
167.03802	0.6
169.01717	0.6
169.05334	0.8
171.03271	1.0
173.04797	1.0
175.02805	0.5
181.05304	1.4
183.03290	0.4
183.06955	1.8
185.04826	2.4
185.08479	0.7
187.06381	1.1
189.04335	0.7
193.05406	0.6
195.06903	2.3
197.04855	0.6
199.06430	8.4
201.04306	0.4
201.08008	3.0
203.05920	1.9
203.09668	0.4
205.01756	0.3
205.07471	0.8
207.06960	0.4
209.04880	0.4
211.06401	8.0
213.07990	29.7
215.05997	0.5
215.09583	0.5
217.07480	6.7
219.08965	0.8
222.08009	0.8
223.06456	0.6
223.08447	0.5
224.09644	0.4
225.07979	2.3
227.05978	0.5
227.09593	1.6
229.07492	47.6
230.07729	0.5
231.09056	26.0
234.08080	0.4
236.09550	2.6
237.08003	0.6
239.05904	0.4
239.09641	0.4
241.07475	1.2
243.09065	14.6
245.10701	1.1
247.08545	22.2
252.09084	6.0
253.11186	0.6
254.10571	1.6
255.08879	0.7
257.10696	0.6
261.10132	7.5
266.10681	2.3
267.09006	1.8
269.10617	0.9
270.10175	1.5
273.10181	0.4
277.10944	0.4
280.09882	0.8
284.11670	0.6
285.10010	1.7
293.14438	0.4
301.14844	0.4
303.16309	0.4
307.15720	0.8
313.14951	1.5
319.15939	0.4
321.17197	0.4
329.13998	0.5
331.15787	8.8
348.15128	1.4
348.65347	1.1
349.16870	100.0
350.17340	1.3
355.03598	0.3
367.17938	21.7
372.18399	1.7
390.19504	11.4
390.24487	0.7
521.27863	1.5
571.99823	0.3
620.42352	0.4
641.37305	0.4
659.38367	27.8
660.38422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94727	0.4
53.03946	1.1
55.01868	0.4
55.05523	1.9
57.03435	2.7
57.07079	6.7
57.78596	0.3
58.06589	1.7
61.02925	7.7
65.03939	0.9
67.05508	5.2
69.03435	3.7
69.07065	1.4
69.86587	2.0
70.06596	16.7
71.04979	0.6
71.08643	2.6
73.02927	2.4
75.04459	0.4
79.05499	3.3
81.03423	3.4
81.07058	4.6
83.04995	0.7
83.08624	1.0
85.02908	10.9
85.10185	0.7
85.39268	0.4
86.09757	0.4
88.07637	19.3
91.03963	4.9
91.05485	2.5
93.07049	3.7
95.04980	0.8
95.08609	4.2
97.02896	8.4
97.06536	0.7
97.10181	0.4
99.04466	1.3
100.69165	0.4
101.02385	1.2
102.09184	15.2
103.03954	0.9
105.03355	0.6
105.07029	2.5
107.08584	1.8
109.02891	1.7
109.06553	0.7
109.10176	1.8
111.04450	0.5
115.03943	0.9
117.07019	1.0
119.08583	1.8
121.02851	0.7
121.10159	1.8
123.11708	0.9
127.03928	3.9
129.06973	0.3
131.04941	0.7
131.08600	1.1
131.92944	0.4
133.10103	0.9
135.11734	1.0
137.09641	0.5
139.03897	0.4
143.08566	0.4
145.04970	2.4
145.10123	0.9
147.11662	0.9
149.02350	33.0
149.03285	1.4
149.13292	1.0
151.11218	0.5
159.11775	0.8
161.13374	0.6
163.06084	0.8
173.13266	0.6
175.03929	1.6
177.05504	0.7
183.06561	1.0
187.14731	0.5
193.04968	44.3
201.07658	0.6
212.23863	0.6
219.06566	1.2
225.05508	0.7
237.07593	11.2
243.21143	0.6
256.26361	42.2
257.26608	0.6
259.20660	0.7
261.22122	2.2
267.15952	0.5
269.04623	1.3
297.03983	1.6
300.29071	1.1
313.06915	2.4
321.60629	0.4
335.25851	9.3
341.06583	9.4
359.07605	6.1
385.09158	17.9
429.11850	25.4
430.12247	0.5
461.28995	0.7
479.30072	1.7
510.65390	0.4
640.35181	1.2
658.35895	100.0
659.36176	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	659.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
51.02379	0.6
53.03949	1.5
69.03416	0.3
70.66615	0.4
77.03922	0.8
79.05499	6.7
81.03408	0.3
85.02905	0.6
91.05485	0.5
95.04975	2.0
97.02924	0.3
105.04518	1.3
107.04960	100.0
108.05304	0.7
109.06511	0.3
119.04935	1.4
123.04411	0.2
127.04021	0.1
161.06024	0.1
167.08641	0.2
195.08075	0.2
213.09114	11.1
214.09590	0.1
226.86505	0.1
229.05312	1.3
335.09586	0.5
546.42847	0.1
586.70233	0.2
646.27643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2352
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05499	0.6
57.03421	0.9
67.05498	2.2
68.40836	0.6
79.05471	1.1
80.55845	0.6
81.03421	0.9
81.07056	2.6
91.05484	2.0
93.07050	1.8
95.05016	0.7
95.08603	0.8
98.20810	1.6
105.07033	1.4
107.08619	1.0
109.10190	0.6
118.52512	0.6
121.10137	1.1
128.66194	0.5
133.10094	1.0
176.70836	0.6
219.14426	0.7
264.43622	0.7
270.63422	0.7
309.92682	0.6
338.54547	0.6
385.13022	0.8
396.13617	0.7
399.14563	1.1
400.15192	4.3
409.12903	0.9
410.14621	0.7
413.16260	1.4
414.16714	2.1
421.13095	2.5
422.13672	4.7
423.14508	4.4
424.15634	1.7
429.19241	2.3
435.14664	2.8
436.15356	4.2
437.16232	9.2
438.17184	1.3
446.63605	0.7
449.16809	1.5
450.16714	2.5
451.18420	4.0
452.18533	2.2
456.17981	1.2
463.14102	1.4
464.14944	2.4
465.15451	3.0
465.19962	2.3
466.20743	1.0
467.17221	3.5
469.14758	1.6
470.16464	0.7
478.16415	2.5
479.17581	3.4
480.17947	4.5
481.18671	1.2
482.16165	0.9
483.16727	2.8
484.17523	1.2
492.17258	0.8
493.19092	8.7
494.16034	2.1
494.20529	1.1
495.16373	5.4
496.17432	2.0
498.15524	1.4
506.16083	1.4
507.16821	2.0
508.17426	6.3
509.18121	4.7
510.15161	1.2
511.20197	1.3
512.16760	5.6
516.23700	1.3
521.18317	11.3
522.16150	3.1
522.18719	2.9
524.17731	0.7
525.21173	2.0
526.15009	1.8
539.19354	1.7
540.19128	1.2
543.22363	2.7
549.17999	1.1
553.20813	16.8
563.19153	0.7
571.21686	1.8
572.22467	1.0
581.20325	46.5
582.20959	1.7
599.21277	10.5
600.21918	1.1
613.23029	14.0
622.22919	3.7
631.24530	3.4
641.22467	100.0
642.22028	3.5
659.23438	24.5
659.40411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
60.05635	4.0
64.83720	1.2
67.05495	5.6
69.07061	4.9
69.57550	6.6
69.57959	2.8
79.05486	3.3
81.07046	4.6
81.14869	1.2
83.08621	2.1
91.05473	3.2
93.07029	4.0
95.08599	4.3
97.06538	1.8
97.10129	1.5
98.21487	2.6
99.77301	1.2
105.07076	1.7
106.06567	1.2
107.08615	1.6
109.10149	2.6
115.07587	2.5
119.08556	1.5
121.10144	1.4
133.10098	1.6
135.11737	1.9
157.00928	1.2
223.12398	1.5
235.12396	1.6
247.12271	1.8
261.13904	1.6
287.15402	1.5
289.15787	1.2
301.76419	1.4
340.17929	1.7
350.16232	1.3
352.17807	2.1
363.15875	1.3
376.17093	1.7
377.17877	2.8
378.18988	2.1
379.19324	3.6
391.19275	2.4
392.19946	1.4
393.16708	2.2
393.21127	2.1
405.20758	3.6
407.22498	3.9
408.19217	3.4
409.20023	4.7
419.18393	2.0
421.20178	5.5
422.21017	3.0
423.21899	16.2
424.22525	2.1
431.18619	1.7
433.20221	2.1
434.21228	2.1
435.22031	8.1
436.22348	4.1
437.23291	5.2
446.20978	1.7
449.23898	2.4
450.23965	2.8
451.21237	5.6
454.20203	4.4
460.22714	1.4
461.23224	5.5
462.20532	2.0
463.21149	3.0
465.22540	4.3
467.24261	3.7
468.25568	2.2
476.21625	1.5
477.22797	5.0
478.23529	2.3
479.24161	5.3
480.24725	1.4
481.22208	2.5
493.21573	5.9
494.26126	5.4
495.23636	11.2
496.24466	4.3
507.24207	2.2
508.24887	13.0
509.25961	8.7
510.26474	11.5
511.27167	10.2
516.24701	2.1
519.23877	2.8
521.25299	4.1
522.25555	2.7
523.23700	3.6
525.28656	2.2
537.25104	17.3
538.25836	7.5
545.38580	3.0
549.24371	1.9
551.23279	1.4
552.49640	1.3
553.29083	7.1
565.24152	2.9
570.28204	3.5
581.27631	20.0
583.25366	4.7
592.65198	1.3
597.27161	42.3
598.27295	4.3
613.30310	65.7
614.30151	1.9
625.26599	100.0
626.26306	3.1
634.24310	1.4
657.29572	10.1
681.68335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.5
57.07054	2.1
60.05627	6.1
67.05498	6.9
69.07066	5.3
69.21336	8.7
69.21767	11.9
79.05496	4.5
81.07057	9.2
83.08607	3.6
85.10263	2.1
91.05446	3.5
93.07041	7.0
95.08597	7.8
97.10174	2.4
98.48512	2.0
105.07058	3.1
107.08576	3.9
109.10161	4.3
121.10092	2.2
149.13272	2.6
229.14462	3.5
261.13699	2.0
311.25787	7.7
312.25983	2.6
365.17874	3.3
377.17581	2.5
378.18222	3.7
391.19370	4.7
405.20840	4.6
407.18286	3.4
408.19455	3.2
409.20062	4.8
421.19980	4.9
422.21075	2.6
423.21967	13.9
424.22318	2.5
430.82095	2.3
435.22198	5.0
437.23419	3.3
449.19675	2.2
451.21152	4.0
454.20224	4.8
461.23123	7.4
463.21362	3.8
464.22128	4.0
467.24438	4.1
468.25375	2.6
477.22552	4.6
478.23627	3.4
479.24719	2.6
493.21945	5.3
494.26859	2.8
495.23163	10.0
496.24734	2.8
505.39230	2.5
508.24576	12.1
509.25623	9.5
510.26163	9.3
511.27228	12.4
521.25073	4.1
523.23706	3.3
526.29041	3.3
537.24823	14.6
538.25824	8.2
545.38135	6.3
553.27667	6.2
555.26202	3.1
581.27515	16.1
583.25037	4.9
597.27191	37.8
598.27631	3.7
613.30231	66.0
625.26569	100.0
626.27350	2.5
634.71832	2.4
657.28638	11.2
657.42932	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	657.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05509	0.5
56.96571	0.3
57.03439	0.4
59.21219	0.3
67.05506	1.3
69.03427	0.7
69.07067	0.6
71.05006	0.6
71.56977	0.4
79.05492	1.7
81.03412	1.3
81.07058	1.9
83.04979	0.5
83.08662	0.4
85.02910	0.7
85.06564	0.3
91.05465	1.6
93.07053	1.1
95.04987	0.8
95.08636	0.8
97.02907	0.6
98.97666	0.3
99.04478	0.3
105.03389	3.2
105.04538	0.3
105.07053	1.2
107.04935	1.7
107.08612	1.0
107.42996	0.3
109.02892	0.5
109.06547	0.5
109.10135	0.5
111.04431	0.5
119.08611	0.7
121.02904	0.4
121.06593	0.4
121.10114	0.4
127.03938	0.7
131.04875	0.4
131.08667	0.4
133.10190	0.6
135.11734	0.4
137.05977	0.6
145.10136	0.6
147.04396	0.6
147.11714	0.6
151.07594	0.3
159.11737	0.4
163.04004	0.4
165.09215	0.8
197.01102	0.3
225.48468	0.3
267.08896	0.6
267.15872	0.4
285.16907	0.6
287.05634	1.0
289.06204	0.3
369.15076	0.6
379.23840	0.4
397.25671	0.7
439.26535	0.4
459.27371	0.4
477.28680	0.6
498.31183	0.3
499.28766	0.6
507.92606	0.3
541.30273	0.3
559.30933	1.0
559.50378	0.4
609.36389	0.4
657.38275	100.0
658.38629	2.1
663.06323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.1
55.05518	19.7
57.03420	3.6
61.02932	2.5
67.05511	25.2
69.03418	3.1
69.07070	6.0
71.05006	2.3
71.54566	2.3
71.55013	2.4
79.05500	16.6
81.03412	7.1
81.07065	17.8
83.04974	3.7
83.08615	9.0
85.02914	5.5
90.61719	2.7
91.03986	2.1
91.05496	15.8
93.07065	12.5
95.04987	3.6
95.08598	7.0
97.02887	2.5
97.06493	3.0
97.10181	23.3
103.05460	7.6
105.07030	13.6
107.04959	4.1
107.08598	10.4
109.02898	3.4
109.06486	3.2
109.10165	7.4
111.04487	2.0
115.05463	4.0
117.07014	21.6
119.08553	6.9
121.10125	4.6
125.09646	19.4
128.06233	2.6
129.06996	9.6
131.08569	15.7
133.06523	6.2
133.10138	2.9
135.08044	6.3
139.03851	2.5
141.06978	7.0
143.08536	6.3
145.06465	5.4
145.10141	7.7
147.04460	3.7
147.08064	2.3
147.11664	2.6
149.09633	2.5
155.08565	5.3
157.06487	3.0
157.10158	4.4
159.08101	2.8
159.11676	2.9
167.08714	2.1
168.21727	2.1
169.10188	3.5
171.07985	3.0
171.10252	2.4
171.11642	4.7
178.36780	2.0
181.10075	2.5
185.09474	2.5
187.14854	5.0
189.11226	10.5
189.12724	2.2
197.13307	4.7
215.14331	27.5
227.12830	13.3
233.15402	2.6
267.15768	2.3
269.10690	2.3
271.17096	2.3
272.08945	2.0
349.21490	5.0
367.22794	6.6
385.23727	6.0
403.24643	2.5
441.20908	2.8
441.26440	41.5
459.27460	100.0
460.27164	2.9
477.28452	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	657.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32210	0.2
53.03920	0.4
55.05509	0.8
57.03417	0.2
57.07069	0.2
67.05505	1.1
69.03403	0.7
69.07065	0.9
71.04962	0.3
71.56638	0.2
77.73625	0.2
77.77730	0.2
79.05493	0.9
81.03393	0.7
81.07063	2.8
83.04955	0.4
83.08609	0.3
85.02872	0.7
85.06497	0.2
89.03895	0.2
91.05488	1.2
93.07047	1.7
95.04964	0.9
95.08602	1.8
97.02877	0.3
97.06532	0.4
97.10128	0.5
99.04425	0.4
102.04707	0.2
103.05468	2.0
105.03385	0.4
105.07033	1.2
106.04141	0.2
107.04921	0.7
107.08582	1.5
109.02853	0.6
109.06516	0.3
109.10155	1.0
111.04414	0.2
111.08081	0.3
111.82871	0.2
115.05445	0.2
116.40659	0.2
117.03378	0.3
117.06953	0.3
118.04166	1.1
119.04916	0.5
119.08552	0.7
120.05755	0.2
121.06504	1.2
121.10130	0.7
123.04436	1.1
123.08031	0.2
123.11715	0.8
125.09651	0.3
127.03885	0.5
129.07028	0.3
130.04115	0.5
131.04936	3.2
131.08536	0.5
132.05708	1.3
133.02803	0.5
133.06488	0.4
133.10081	0.8
134.03577	0.2
135.04440	0.8
135.08014	0.2
135.11687	0.8
137.02304	0.2
137.05942	0.6
137.09612	0.3
137.13226	0.2
139.03893	0.4
139.11137	0.2
140.03725	0.2
140.04686	1.5
143.08487	0.3
145.10104	0.4
146.03627	1.3
147.04399	1.1
147.11661	0.5
148.05148	0.6
149.05930	0.7
149.13240	0.7
151.03879	0.3
153.01825	3.7
153.05426	0.4
154.06303	0.3
155.06984	0.4
157.10107	0.2
159.04379	0.3
159.11713	0.3
160.05241	0.9
161.05972	1.4
161.09583	0.2
161.13147	0.4
162.03091	0.7
162.06866	0.2
163.03923	0.8
163.07494	0.4
163.11214	0.2
165.05507	0.4
165.09122	2.5
166.06201	0.7
167.07036	1.7
168.07806	0.2
169.10040	0.3
171.02916	0.2
171.07968	0.2
173.05954	0.3
173.13197	0.2
175.03935	0.2
175.07536	0.2
175.11218	0.2
176.04706	1.6
177.05493	2.1
178.06261	2.7
179.07045	0.3
180.07831	0.3
181.08548	0.4
182.09393	0.3
187.07506	0.2
189.09163	0.2
191.07027	3.4
192.07803	1.3
193.05032	0.2
194.12550	0.2
203.03374	1.9
205.12177	0.2
209.11829	0.3
210.08777	0.3
213.05487	0.3
222.09134	0.6
229.04965	3.0
236.10681	0.5
241.04924	0.6
242.05745	6.0
253.05013	1.2
257.04446	42.4
258.05231	9.4
259.05960	0.2
269.04385	1.0
270.05222	1.3
271.06012	1.5
272.06747	0.3
283.05975	0.6
285.03940	5.8
286.04721	22.3
287.05496	15.2
287.08905	0.3
289.25311	0.3
295.05957	0.3
297.03967	3.3
299.05545	1.8
300.06284	1.1
301.07230	0.3
311.05493	0.5
313.07144	0.3
323.05438	0.3
327.05017	1.6
329.06583	0.3
336.17041	0.5
339.12259	0.2
341.06567	2.3
345.07523	0.4
373.07010	0.2
375.08481	0.2
379.11945	0.4
387.08771	0.2
388.09619	0.2
402.07269	0.2
403.08322	0.4
415.28372	0.5
416.08975	0.6
419.07697	0.8
421.09045	0.3
421.29471	0.2
433.09348	0.4
433.29736	0.8
444.08313	0.5
445.09329	0.8
447.07080	0.9
451.30524	0.8
461.08679	0.3
462.09631	1.4
465.11890	3.6
477.11810	13.8
478.12259	0.2
495.12857	100.0
496.13217	1.9
505.14725	0.6
577.18359	0.2
657.17816	1.9
657.35547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.0
57.03444	4.7
57.07080	35.8
61.02930	8.4
67.05509	11.4
69.03439	1.5
69.07064	6.6
71.08636	29.8
71.55215	1.9
73.02906	2.8
75.04478	2.0
75.96870	1.2
79.05489	3.5
81.07069	17.2
82.26526	1.1
83.08645	11.2
85.02913	10.5
85.10179	18.9
91.03964	9.3
91.05486	2.3
93.07048	3.3
95.08612	25.5
97.02921	5.6
97.10196	6.4
100.37626	1.3
107.08549	2.0
108.59059	1.1
109.10165	12.5
117.07068	1.1
123.11709	4.3
127.03938	2.7
129.99353	1.1
135.11702	1.2
137.05943	1.2
137.13243	2.2
145.04980	3.8
163.06036	5.3
221.22733	1.4
239.23694	23.5
257.24820	2.9
298.27399	1.6
301.03677	1.1
313.27374	100.0
331.28528	16.8
393.35046	1.2
475.32983	2.8
487.26117	1.3
577.24725	3.1
612.18042	1.4
655.26874	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	655.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.8
55.35048	0.8
57.03440	3.4
57.07080	38.2
61.02933	14.3
65.03917	1.0
67.05516	10.5
69.03422	1.0
69.07079	7.8
71.08637	28.8
72.06648	0.8
73.02905	3.7
75.04480	1.8
79.05515	2.0
81.03435	1.6
81.06609	1.2
81.07069	14.3
83.05006	1.2
83.08627	11.0
85.02908	15.6
85.10186	17.1
91.03967	13.1
91.05492	2.0
93.07057	2.1
95.08610	22.5
97.02896	7.4
97.10180	5.6
99.04490	1.8
99.11726	1.3
103.07591	0.9
109.10183	11.2
111.11729	1.4
115.03911	1.2
123.11738	3.9
125.13239	1.3
127.03912	5.3
137.13243	1.7
145.04956	6.0
151.14832	1.6
163.06023	10.4
209.11111	0.9
209.65689	0.8
221.22815	1.4
239.23732	30.2
257.24814	4.5
313.27374	100.0
331.28473	20.8
391.19501	1.5
405.16748	1.6
405.21384	1.5
406.22403	1.0
407.22354	3.5
419.18658	3.0
420.19131	1.6
421.20227	1.5
432.19882	1.0
433.20551	7.2
434.21234	4.1
435.21878	4.0
447.17572	1.3
447.22449	1.0
462.20157	1.2
463.21179	2.9
465.19415	1.5
476.99222	1.0
489.22989	1.7
491.20883	1.4
505.22379	1.6
521.25848	5.3
548.23566	1.1
549.24963	8.7
563.22803	1.0
577.24469	6.7
580.26672	2.6
595.25586	4.1
609.26483	1.7
619.25354	2.9
637.26538	9.8
655.27643	82.2
656.27484	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	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.01875	14.9
55.05269	1.8
55.05514	28.2
56.96556	3.4
57.03204	1.2
57.03444	17.8
57.07061	6.2
59.04998	2.1
61.02922	2.1
65.03909	3.2
67.05508	60.0
69.03081	2.2
69.03430	31.5
69.07073	17.1
71.01356	2.0
71.05003	10.8
71.28350	2.9
73.02905	6.4
79.05497	43.1
81.03421	100.0
81.07063	43.4
83.04977	21.9
83.08216	1.9
83.08621	20.7
85.02431	2.3
85.02908	28.9
85.06556	1.6
87.04436	1.6
91.05486	43.1
93.07045	32.1
95.04971	32.2
95.08616	20.7
97.02899	29.2
97.06560	8.9
97.10175	14.4
98.97601	1.9
99.04445	6.7
99.08085	2.5
101.02384	2.2
103.05447	1.9
105.03398	2.5
105.04488	2.7
105.07034	26.9
107.04971	18.1
107.08590	21.0
109.02884	15.1
109.06524	6.9
109.10164	27.6
110.98496	1.4
111.04438	12.8
111.08073	12.1
111.11767	1.7
113.05989	2.5
115.03922	3.5
115.05424	3.8
117.07014	6.9
119.04951	2.8
119.08585	23.8
121.02840	2.3
121.06503	6.0
121.10162	13.6
123.04419	7.0
123.08073	4.9
123.11685	5.1
125.06010	2.1
125.09631	14.6
127.03896	11.8
127.11252	2.0
129.05524	2.9
129.07010	11.0
131.04926	3.6
131.08604	13.7
133.06496	6.1
133.10136	14.8
135.04436	6.2
135.08028	5.0
135.11655	8.4
135.92349	1.5
137.05957	2.9
137.09587	4.7
137.13200	2.0
139.03835	1.6
139.11197	3.5
141.06947	1.8
142.07741	1.6
143.02014	1.5
143.08559	2.4
145.04944	2.6
145.06491	3.7
145.10117	10.3
147.04388	5.3
147.08063	4.0
147.11694	17.8
148.04718	1.7
149.06010	3.2
149.09618	10.2
151.11206	1.8
153.05438	2.7
153.09070	2.0
153.12706	4.0
155.08469	1.9
157.10121	12.3
157.12233	2.0
159.08174	1.7
159.11623	2.5
161.09650	3.9
163.03970	1.7
163.11208	12.3
165.09058	2.5
165.12743	4.6
167.02397	1.6
169.10112	2.4
171.06563	2.7
171.11638	1.7
173.04514	10.1
173.05769	2.2
173.09627	3.7
173.11761	4.6
173.13164	2.3
175.11208	13.7
177.05492	2.3
181.05035	1.7
181.12222	6.1
183.11629	1.4
187.07652	2.0
189.11237	5.7
189.12770	1.9
191.10657	4.6
193.12251	38.9
199.06070	2.7
209.11740	10.3
211.13293	36.0
217.07050	1.8
223.13199	1.7
227.12798	13.8
229.12337	2.4
229.14362	16.9
247.13315	1.5
249.14909	2.1
255.16016	2.2
267.09058	4.5
267.15921	16.9
283.15399	7.8
285.10172	5.0
285.16995	9.7
287.05511	6.2
301.16559	3.1
337.16476	1.8
355.17563	3.4
365.15454	2.4
411.20221	2.2
421.26077	10.6
427.19717	2.4
439.26810	13.9
440.27194	3.2
447.27875	1.7
475.27158	9.8
477.28644	1.8
493.27875	10.5
625.35278	3.2
637.32092	8.8
654.80090	1.4
655.36603	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	655.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54106	0.2
55.05506	0.2
67.05515	0.3
67.30247	0.2
69.26250	0.2
72.42686	0.2
75.04478	0.5
79.05505	0.2
81.07064	0.5
82.81484	0.2
91.05468	0.4
93.07071	0.3
95.08601	0.2
98.21495	0.4
105.07086	0.2
107.08598	0.3
133.10086	0.2
159.91606	0.2
209.10774	0.2
377.17661	0.6
391.19360	1.1
392.20117	0.6
393.20898	0.6
403.19373	0.2
404.20496	0.2
405.16476	1.6
405.21091	0.7
406.21631	0.7
407.17712	0.4
407.22433	4.3
408.22946	0.3
418.17938	0.6
419.18265	2.7
420.19009	1.4
421.19641	1.4
431.18564	0.4
432.19385	0.5
433.20520	4.7
434.21066	4.7
435.21854	8.1
436.22678	0.4
446.21164	0.4
447.17905	1.3
447.22290	1.5
448.18738	0.9
448.23111	0.7
449.19312	1.8
451.21689	0.2
459.21814	0.3
460.22705	0.2
461.19421	1.2
461.24008	0.9
462.20367	5.2
462.26361	0.3
463.21255	4.0
464.22311	0.2
465.22934	0.3
471.06467	0.2
475.21362	1.9
476.21826	0.9
477.23126	1.5
478.24158	0.3
479.20697	0.8
489.23062	1.2
490.24225	0.4
493.22269	0.6
493.25958	0.6
494.22849	0.5
495.23938	1.2
505.22235	0.5
506.23282	0.3
507.25229	1.0
508.24808	2.0
509.25552	1.8
517.22559	0.3
520.24786	0.2
521.25665	12.2
522.25806	0.3
531.24042	0.3
534.23444	0.2
535.26703	0.9
537.24670	0.2
540.27466	0.4
541.49371	0.2
547.27136	0.4
549.24994	17.2
550.25262	0.6
551.23535	0.3
553.23999	1.2
563.26733	3.3
564.27490	0.8
565.25964	0.2
566.25476	0.2
577.24622	0.5
580.25757	0.3
581.27612	3.8
582.27893	0.2
595.29309	10.7
596.29309	0.2
607.29205	0.5
609.27057	11.1
610.28070	0.2
623.28760	1.1
627.31427	0.3
655.31226	100.0
656.31702	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
55.75061	0.4
57.03439	0.5
57.07077	0.5
58.06606	6.2
63.10656	0.4
67.05486	1.3
68.22542	0.4
69.07064	1.2
69.53145	0.5
69.89651	1.5
71.50761	0.4
72.08149	3.2
73.06557	1.3
80.31060	0.4
81.07081	0.6
81.25259	0.5
83.04987	1.9
85.08904	0.5
86.09708	28.9
86.57575	0.5
91.05474	0.6
95.08589	0.7
98.06069	0.5
98.09669	0.7
98.21435	0.6
99.03066	0.4
100.11258	100.0
101.06024	2.0
146.11745	3.1
154.12384	0.5
154.15929	3.3
156.10042	0.5
168.13866	1.0
172.13370	1.7
186.14935	1.2
196.13344	0.6
200.16502	1.6
214.14433	1.7
225.16042	0.5
228.15977	6.2
285.21732	4.9
313.21454	0.8
313.24768	6.6
327.22946	0.8
341.24353	12.1
353.27902	0.5
381.27603	0.6
409.27036	1.2
421.47137	0.5
436.23203	0.5
454.32758	2.9
458.32599	0.5
472.33878	5.4
498.35608	0.6
526.34552	0.5
540.36523	0.9
625.45374	32.5
626.45618	1.1
653.29071	1.0
653.44965	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	655.2764
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
54.23106	0.4
55.05518	0.7
57.03428	0.5
57.07064	0.4
66.90252	0.4
67.05488	0.9
70.15466	0.4
72.73587	0.4
79.05506	0.8
81.07056	0.8
85.02917	0.5
87.98696	0.4
91.05476	0.6
93.07064	0.6
95.05009	0.6
95.08600	0.5
105.07054	0.8
107.08616	0.5
109.10160	0.5
131.08563	0.4
145.10147	0.5
161.82037	0.5
172.03983	0.5
205.60580	0.4
291.19885	0.4
305.05112	0.4
312.14963	0.5
313.27271	0.7
328.14490	0.4
377.17722	1.0
389.17441	0.5
390.18414	0.7
391.19385	1.7
392.20029	0.8
393.20862	1.6
404.16080	0.7
405.17099	1.7
405.21231	1.2
405.67328	0.4
406.17511	0.8
406.22189	0.9
407.22516	3.4
409.23126	0.4
417.17001	0.6
418.18100	1.3
419.18359	6.5
419.23672	0.5
420.19553	1.9
421.19876	2.1
431.18915	0.6
432.19482	0.7
433.20395	9.4
434.21155	5.1
435.21890	6.2
445.20605	0.5
446.21472	0.5
447.17371	0.9
447.22195	1.8
448.18762	0.4
449.20035	1.2
461.19797	1.5
462.20517	2.7
463.21341	2.9
464.22330	0.4
465.18796	2.1
475.21704	0.8
476.22107	0.6
479.20407	1.0
489.23285	1.0
490.20297	0.8
491.20975	1.3
493.22543	1.8
505.22165	0.6
507.19791	0.5
508.21075	0.7
517.22815	0.5
520.24561	1.3
521.25739	8.0
535.23230	0.6
548.23981	1.1
549.25073	11.2
552.23334	0.6
565.24731	1.5
577.24475	8.3
579.22363	0.7
580.26648	1.5
581.27594	1.2
595.25714	4.7
609.27344	2.7
637.26630	5.3
655.27649	100.0
656.28046	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.01295	0.8
55.05511	1.0
69.89032	4.2
72.98573	0.8
81.07082	0.9
83.04988	4.4
83.06249	0.8
85.05471	0.8
88.96711	0.7
91.05466	1.5
95.08604	1.1
129.07062	0.9
175.01619	1.8
181.02634	3.7
188.82251	0.8
222.11661	1.1
223.12334	1.1
224.13103	1.8
225.13895	1.5
237.13869	2.4
238.14694	1.8
239.15384	1.3
241.00493	0.9
251.15536	1.2
261.13980	1.2
265.13654	0.9
304.15598	1.3
313.12149	2.5
379.19528	1.3
391.19370	1.4
403.19214	1.8
404.20230	1.3
405.21335	1.4
407.18710	1.3
417.20898	1.5
418.21936	1.5
419.23138	1.3
421.20340	2.6
432.23572	1.1
433.16486	1.3
433.23874	3.2
435.22083	1.6
436.22385	1.4
447.17844	2.0
448.18808	1.5
449.19763	3.7
450.24680	1.1
460.22891	1.3
461.23804	1.1
462.20444	1.2
463.21396	12.5
465.19324	1.4
473.23959	1.1
475.21423	1.7
476.22043	3.1
477.19379	7.3
478.23499	1.7
479.24600	1.8
480.21829	1.5
486.20807	1.7
487.21326	2.1
489.19232	1.2
491.20102	2.6
491.25424	1.3
492.24945	2.9
500.22366	1.0
501.22754	8.0
505.22693	1.1
506.26810	1.7
509.25922	1.2
514.26013	1.3
519.23877	1.4
521.21838	2.8
523.27142	2.0
525.25092	1.5
533.25604	7.1
535.23254	6.5
536.23865	1.9
547.23694	1.4
550.25757	5.0
551.26544	4.5
554.25464	1.4
561.24969	2.2
565.28076	41.1
566.27631	1.5
577.23779	1.3
579.26086	4.5
581.23669	1.6
583.29230	6.9
585.27203	5.7
593.27393	5.6
594.24982	1.6
595.25555	11.0
599.25531	3.1
609.27020	16.0
611.28424	4.0
613.26532	15.3
623.25006	7.4
637.26764	5.0
655.27570	100.0
656.27966	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
54.31441	0.8
58.67878	0.9
71.47665	2.0
81.07058	1.4
92.53703	1.0
104.41024	0.8
131.09848	1.0
254.57370	1.0
274.80322	1.1
289.75204	1.2
342.53220	1.1
389.17731	1.6
390.19138	1.4
391.19296	1.9
402.21967	1.1
403.19540	1.6
404.20212	4.6
405.20837	11.8
417.21002	1.4
418.21689	2.0
419.22403	7.5
420.23154	3.4
421.36160	1.2
432.23480	1.4
433.24084	6.4
434.17706	1.3
434.24643	2.3
435.18256	1.2
447.21140	1.8
447.26270	1.4
449.19452	5.3
450.20651	2.8
459.21762	1.3
462.20215	1.0
463.21405	7.0
464.21988	3.6
465.22922	2.2
475.21249	2.2
476.22092	1.1
477.22894	3.7
478.23755	3.8
479.24435	31.6
479.31027	2.1
487.21350	3.4
491.24567	3.1
492.25336	1.6
493.25647	1.6
501.22922	3.9
502.23703	2.3
505.25293	1.3
507.27594	18.5
519.24292	2.6
533.25427	4.0
535.23810	1.1
537.24841	11.4
541.35059	1.3
551.26550	30.8
552.26703	1.5
561.24878	6.9
565.28192	16.9
566.28906	68.6
567.29529	1.5
575.26501	1.8
593.27533	7.6
621.27258	14.7
635.28601	5.8
653.29694	100.0
654.29956	2.3
670.33765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3534
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03946	8.7
54.24631	1.2
55.01859	3.7
55.05270	1.6
55.05513	20.5
57.03440	12.5
57.07093	1.2
65.03933	2.7
67.05508	53.4
69.03437	14.5
69.07078	10.4
70.94234	2.4
71.05006	6.9
71.82162	1.5
73.02921	1.2
73.06568	1.7
76.12206	1.0
79.05496	63.6
81.03421	92.2
81.06586	2.5
81.07059	47.9
82.36077	1.1
83.04985	27.6
83.08626	24.3
85.02912	13.6
85.06528	4.3
86.24367	1.1
91.05483	61.9
93.07047	59.3
95.04972	33.3
95.08614	24.6
97.02900	14.9
97.06538	6.6
97.10162	6.6
99.04443	3.3
99.08106	1.5
103.05493	2.2
105.04517	2.3
105.07035	41.9
107.04957	13.8
107.08595	16.9
109.02888	9.6
109.06532	7.4
109.10168	7.8
111.04451	9.7
111.08076	11.2
113.05972	1.3
115.05460	1.9
117.07021	11.0
119.08581	32.9
121.06499	5.4
121.10148	8.0
123.04414	1.4
123.08025	6.6
123.11703	1.7
125.09640	2.2
127.03933	8.4
128.06261	2.3
129.05472	4.4
129.07014	20.7
131.08572	12.6
133.06502	5.8
133.10138	13.3
135.08072	2.0
135.11707	3.1
137.09561	1.7
141.06934	2.1
142.07771	3.5
143.08554	9.0
143.55797	1.2
145.06490	2.5
145.10133	9.5
147.04428	1.9
147.08034	6.4
147.11693	33.9
149.09602	5.3
153.12711	2.7
155.08565	1.6
157.06374	1.3
157.10124	10.5
161.09621	2.9
161.13269	7.9
163.11151	4.6
165.09166	1.3
165.12737	3.2
169.10237	1.3
171.08029	2.0
171.11719	17.5
173.09676	1.9
175.11198	11.6
181.10020	1.3
181.12288	2.8
189.12691	8.4
191.10556	1.5
193.12250	35.1
207.13808	22.7
209.11722	1.2
211.13290	39.8
225.14861	2.6
227.12738	2.9
229.14421	2.5
249.14778	2.5
263.16223	1.4
267.15921	30.8
269.15381	1.6
281.17480	57.4
285.16968	13.4
287.16461	3.1
289.14157	1.5
301.14435	1.8
319.15417	1.6
327.82938	1.2
337.16415	1.6
355.17465	4.8
377.88721	1.4
393.19312	1.2
399.25339	1.7
424.28293	1.3
425.21356	2.5
429.21194	19.3
473.29022	100.0
491.29996	24.1
515.30316	1.5
533.96484	1.6
602.80847	1.3
617.32349	2.2
635.34235	47.7
653.37463	1.4
680.84229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2764
Annotation	Karajinone A
Peak:m/z	Relative Intensity
57.07084	1.1
67.05511	1.4
71.55092	1.4
74.84167	0.7
75.46080	0.7
79.05494	0.9
81.07066	1.0
83.04974	2.7
84.70923	0.7
91.05473	0.9
105.07030	1.1
129.06966	0.7
131.08682	0.7
139.59839	0.7
147.11705	0.8
157.07677	1.1
175.01598	1.0
181.02629	3.5
221.10756	1.0
223.12369	2.4
225.14008	1.6
227.04889	0.8
235.12291	1.9
236.13156	2.1
237.13861	3.8
238.14687	3.2
239.15503	2.3
249.10498	0.8
249.13811	2.0
251.15393	3.8
252.16319	1.1
253.17026	2.4
261.13919	6.2
267.15070	1.0
279.15027	1.4
313.11996	1.9
340.17975	0.8
351.16666	0.8
352.18280	1.0
353.18033	1.4
363.16388	1.2
365.17999	1.6
366.19403	1.7
367.19424	2.0
377.17819	3.1
378.19293	0.8
379.19452	1.7
380.16592	1.2
381.20914	1.9
386.18518	0.7
391.19177	2.4
393.21054	2.0
395.18707	2.5
405.16803	1.2
406.17688	0.9
407.18771	3.1
409.20432	1.6
410.21283	1.0
411.22202	0.9
419.18439	1.4
420.19800	1.3
421.20273	2.5
422.21277	2.3
425.19922	1.0
427.21353	1.3
435.17950	1.9
437.19962	2.5
438.20941	1.3
439.21448	1.8
442.23914	1.0
448.19342	1.8
449.19757	3.3
450.20462	2.5
451.21710	1.7
454.24008	1.5
463.21432	1.7
465.19009	6.6
469.26071	2.9
476.18817	2.1
477.19388	3.1
479.24527	2.0
480.21664	1.4
481.22452	2.3
482.23334	2.4
483.20160	1.1
491.21182	1.0
493.22626	2.1
497.25922	5.1
507.23907	4.9
508.21594	2.5
509.21954	1.3
510.22864	3.1
514.25574	4.5
524.24744	0.9
525.25116	8.5
527.22852	0.9
529.28198	5.7
535.23328	3.2
536.23871	1.2
542.25189	1.6
553.24585	2.9
557.27661	2.1
563.23077	2.7
565.28168	6.2
567.25989	4.3
568.24518	0.9
569.27582	2.1
570.24579	1.5
579.26361	2.2
581.23999	2.7
583.29272	1.5
585.27112	15.1
595.25537	87.6
596.25360	2.0
599.25391	3.1
613.26587	100.0
614.26831	3.2
623.24591	2.4
627.28339	1.0
655.27441	21.3
655.41101	1.2
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
53.03949	5.2
55.01878	4.3
55.05517	21.7
57.03444	9.9
57.07074	2.5
58.40446	2.1
59.05009	2.7
61.02946	2.0
65.03935	4.0
67.05509	100.0
68.97359	1.8
69.03431	17.5
69.07061	13.8
69.13202	1.8
70.20899	7.0
71.04993	8.3
71.08619	1.6
73.02901	2.2
79.05495	25.9
81.03423	39.9
81.07060	49.4
81.61369	1.9
83.04976	16.5
83.08629	12.2
85.02908	5.3
85.06533	2.7
90.74906	1.6
91.05481	27.4
93.07049	25.6
95.04987	3.8
95.08611	38.5
97.02889	12.5
97.06520	3.3
97.10181	9.4
97.10708	2.0
99.04501	3.4
105.07061	16.8
107.04967	4.1
107.08599	17.4
109.02888	6.2
109.06518	4.7
109.10167	62.1
111.04449	7.9
111.08078	4.7
115.05418	2.3
117.07042	7.9
117.34439	1.9
119.08582	16.4
121.06534	3.1
121.10143	12.1
123.04394	2.5
123.08081	3.2
123.11736	5.3
125.09646	8.6
127.03926	6.6
129.05501	8.6
129.07019	6.3
131.08549	16.0
133.06494	3.2
133.10118	12.3
135.08078	4.7
135.11699	6.4
137.09659	6.3
139.11179	4.0
143.08582	4.0
145.10114	12.1
147.08020	2.9
147.11690	8.8
149.09587	1.7
149.13257	3.8
153.09128	2.4
155.08560	3.6
155.10645	4.0
157.10133	4.0
159.11673	8.8
161.09639	2.8
161.13293	5.2
164.09244	1.5
169.10117	3.1
171.10178	1.7
171.11684	5.6
173.11758	16.8
173.13333	6.6
175.11200	3.1
175.14923	3.2
181.41051	1.6
183.11716	3.6
184.07318	2.0
185.13315	4.3
187.11180	2.0
187.14879	2.2
189.11238	6.4
189.12718	1.9
193.12172	1.8
199.11238	1.8
199.14886	3.2
201.12729	1.8
227.12799	10.7
229.14337	34.2
231.28416	1.9
245.13721	4.1
259.20633	2.1
261.22208	5.0
263.23669	3.3
299.14975	3.2
301.21625	5.9
303.23239	3.6
312.25876	2.0
319.22632	2.4
327.23358	2.5
335.25842	9.8
337.27368	5.1
351.23215	4.9
369.24237	9.3
371.16928	4.6
373.18591	6.7
379.08148	2.2
387.25211	6.5
405.26218	3.3
443.27765	1.9
461.29129	5.1
479.30048	5.9
489.35626	6.3
507.36322	2.9
573.37671	2.7
597.37854	7.9
615.38678	10.4
633.40051	26.3
651.40820	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
54.86415	1.4
55.01862	5.0
55.05513	33.4
57.03439	13.3
57.07059	4.1
59.04982	2.9
65.03932	4.1
65.34686	1.5
67.05506	100.0
69.03086	1.8
69.03433	24.8
69.07063	19.6
70.32992	1.4
71.05006	9.1
73.02917	2.5
76.86001	1.5
79.05498	36.0
81.03420	54.6
81.07059	59.7
83.04987	25.4
83.08619	13.5
84.64640	1.4
85.02895	6.1
85.06541	2.8
87.04500	2.0
91.05484	31.2
93.07049	38.3
95.04972	9.8
95.08611	43.3
97.02901	14.7
97.06513	3.6
97.10177	18.5
98.21615	2.3
99.04457	6.7
103.03954	2.6
103.05442	1.6
105.07029	23.2
107.04955	4.7
107.08597	23.4
109.02874	8.5
109.06513	5.0
109.10161	70.4
111.04449	11.5
111.08066	4.4
114.14977	1.4
115.05472	1.5
117.07026	10.8
119.08581	20.9
121.06518	2.5
121.10146	19.1
123.08087	3.5
123.11701	6.3
125.09647	12.6
127.03914	9.4
128.06189	1.6
129.05492	12.8
129.06996	9.7
131.04922	1.6
131.08580	17.3
133.06480	3.6
133.10135	15.3
135.08044	6.1
135.11681	10.2
137.09622	4.2
137.13258	2.3
139.11157	2.2
141.06960	1.8
143.08539	6.2
143.10596	1.5
145.06500	2.2
145.10126	15.0
147.08047	4.2
147.11711	8.9
149.06020	1.7
149.09607	3.0
149.13260	7.0
151.07524	1.7
151.11212	2.0
153.09151	1.3
155.08516	4.7
155.10664	5.3
157.10114	5.4
159.08044	2.9
159.11702	12.8
161.09636	2.3
161.13263	6.1
163.11179	1.9
163.14857	2.7
167.08533	1.7
169.10089	3.8
171.08076	2.0
171.10284	2.1
171.11699	4.5
173.09547	1.5
173.11719	19.5
173.13258	6.1
175.11209	2.5
175.14815	2.3
177.12688	2.2
179.08583	1.4
183.11710	3.8
185.09709	2.4
185.13222	5.5
187.14830	4.1
189.11174	12.1
189.12631	2.0
195.11754	2.8
197.13266	3.4
199.11197	2.2
199.14851	2.8
203.14294	1.4
209.13345	2.3
211.14819	1.9
213.12679	2.5
215.14299	1.8
221.15367	2.0
227.12778	16.5
229.14351	32.8
242.47411	1.5
245.13817	2.9
259.20578	4.0
261.22116	10.1
263.23676	2.6
273.22058	2.0
277.21542	1.9
288.63626	1.4
289.21631	1.5
299.14954	3.3
301.21609	4.8
303.23328	2.9
309.22174	1.5
315.23047	1.9
317.24667	1.4
319.22766	1.5
323.23654	2.1
327.23041	2.8
333.24405	2.4
335.25830	18.8
337.27469	12.1
339.23227	1.5
341.24936	1.9
345.24210	2.3
351.23148	4.3
353.24799	2.9
367.22495	1.6
369.24200	11.4
371.16879	6.7
371.25641	1.9
373.18671	11.9
377.26700	1.4
387.25330	8.1
405.26437	6.6
433.31680	1.7
443.27823	5.7
461.28918	7.1
479.29868	3.9
487.34439	2.2
489.35754	9.9
507.36716	6.3
559.36194	2.4
597.37793	8.1
613.53333	1.4
615.38788	8.7
633.39978	38.1
651.41052	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.4
53.03942	6.2
55.01861	3.3
55.05518	20.4
56.11708	1.4
57.03447	9.6
57.07063	3.6
59.04995	4.3
65.03937	4.2
65.10264	1.3
65.65688	1.4
65.75910	1.2
67.05508	100.0
67.89290	1.5
69.03429	18.7
69.07071	16.2
69.33773	2.4
69.34178	10.2
71.01333	1.9
71.04996	6.6
71.08621	1.7
76.46081	1.6
77.62905	1.4
78.78791	1.4
79.05498	26.9
81.03424	24.9
81.07063	48.8
82.07441	1.5
83.04988	11.3
83.08626	13.5
85.02927	2.8
85.06554	3.0
91.04975	2.4
91.05486	29.3
93.07048	28.5
95.04967	7.7
95.08612	32.4
97.02903	8.9
97.06523	5.1
97.10192	7.4
99.04452	4.1
99.08079	2.6
99.92752	1.3
105.07041	22.7
107.04942	4.1
107.08601	20.9
109.02867	5.4
109.06524	4.3
109.10163	60.7
111.04421	4.9
111.08083	4.1
115.05437	2.0
117.07019	10.1
119.08591	20.3
121.06522	2.8
121.10155	13.5
123.08090	2.8
123.11721	5.4
125.09645	5.9
127.03909	4.4
129.05486	4.0
129.07033	7.9
131.08588	15.2
133.06508	4.2
133.10155	11.9
135.08067	6.2
135.11676	9.1
137.09612	4.9
141.06978	2.4
143.08545	7.8
145.06500	2.5
145.10123	12.4
147.08052	2.5
147.11676	6.6
149.09607	2.4
149.13271	4.8
155.08554	3.7
155.10617	2.6
157.06435	2.3
157.10158	6.5
159.08092	3.0
159.11702	7.0
161.09592	3.2
161.13280	3.7
163.11200	2.7
163.14934	1.9
169.10118	4.8
171.10268	1.6
171.11691	5.3
173.11740	13.8
173.13216	4.4
175.11224	3.8
175.14767	1.4
183.11771	2.7
185.09584	2.0
185.13206	4.6
187.14848	2.1
189.11253	4.7
193.08620	2.3
195.11586	2.0
197.09624	1.6
197.13278	1.8
199.14937	2.2
201.12613	1.9
207.11836	1.9
211.13138	2.0
215.14209	1.6
223.14833	1.6
227.12779	6.1
229.14336	38.8
245.13663	2.0
251.54620	1.4
261.22192	3.7
273.21960	2.1
277.21582	4.2
301.21680	4.4
303.22934	2.0
319.23050	1.9
327.23117	2.1
335.25861	4.4
337.27402	3.7
341.24634	1.9
351.23120	4.5
369.24411	8.9
373.18564	4.0
387.25366	5.5
405.26288	2.6
423.27237	1.9
443.28067	3.4
461.29034	5.2
479.30042	2.8
489.35544	4.6
597.37592	6.4
602.31610	1.6
615.38849	8.4
633.40106	27.1
651.40564	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	649.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96858	1.1
55.05512	4.3
57.03431	2.6
58.88266	1.1
67.05512	14.3
67.08759	1.0
69.03422	3.1
69.07068	3.9
69.85358	6.5
71.05013	1.4
79.05495	4.7
81.03429	3.9
81.07057	8.3
83.04971	1.6
83.08631	1.1
83.86178	1.1
85.02892	1.5
89.15816	1.2
91.05485	6.1
93.07048	6.6
95.04975	3.2
95.08622	5.1
97.02882	1.6
97.06542	1.8
97.10178	2.1
99.04444	1.3
105.07043	6.9
107.08619	4.2
109.06520	1.4
109.10145	6.1
117.07053	2.0
119.08614	4.8
121.10189	2.7
125.09612	1.9
129.07019	2.5
131.08601	3.9
133.10147	3.1
135.11726	1.8
135.33832	1.2
143.08580	1.6
145.10107	2.8
147.11725	1.5
157.10179	1.4
159.11646	2.1
173.11874	2.5
173.13319	1.8
183.11842	1.4
185.13306	1.9
188.66277	1.1
197.13354	1.3
206.35518	1.1
229.14401	2.6
245.13808	1.4
283.15228	7.4
333.20599	4.8
339.17819	3.7
389.23132	2.2
487.34161	9.9
595.36548	1.4
631.38403	3.0
649.39337	100.0
650.39648	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.2
55.01867	3.7
55.05270	1.7
55.05515	25.6
56.27647	1.1
57.03436	13.1
57.07069	3.6
59.05008	3.3
65.03939	5.0
67.05508	100.0
69.03084	1.9
69.03432	27.1
69.07067	16.4
69.49043	1.0
69.99133	1.0
71.01337	1.5
71.04997	6.3
73.02922	1.5
79.05497	33.7
81.03421	36.6
81.07061	56.9
83.04984	14.4
83.08632	13.5
85.02901	5.1
85.06547	3.4
90.32254	1.1
91.04913	1.9
91.05481	30.0
93.07048	36.5
93.07639	2.2
95.04965	9.1
95.08612	37.3
97.02898	10.9
97.06532	4.5
97.10165	10.6
99.04440	3.1
99.08053	1.2
103.03914	2.1
105.04520	1.0
105.07036	25.7
107.04967	2.8
107.08597	21.3
109.02893	5.6
109.06519	4.6
109.10161	59.8
111.04456	6.8
111.08081	4.5
112.90749	1.0
113.95218	1.1
115.05497	1.3
117.07023	11.5
119.04976	1.9
119.08586	22.0
121.06535	4.1
121.10155	15.5
123.04400	1.5
123.08076	4.4
123.11679	6.6
125.09634	7.3
127.03917	4.9
128.06223	2.3
129.05492	7.1
129.07007	8.1
131.08577	17.1
133.06511	2.9
133.10149	12.2
135.08075	4.1
135.11691	9.7
137.05992	1.7
137.09616	3.9
137.13274	1.9
139.11243	1.5
141.06998	3.7
142.07791	2.6
143.08588	7.9
143.10622	1.3
145.06459	3.5
145.10126	13.6
147.08037	3.4
147.11711	9.3
149.09613	3.4
149.13248	4.8
155.08533	5.0
155.10625	5.4
157.10149	7.7
159.08055	2.2
159.11696	9.3
161.09689	1.6
161.13275	5.7
163.11160	2.4
163.14810	1.9
167.08537	2.0
169.10136	4.9
171.08006	2.8
171.10402	1.3
171.11679	6.2
173.09561	1.7
173.11752	15.9
173.13263	6.7
175.11107	2.0
175.14787	2.8
177.12700	2.5
179.08417	1.3
181.10094	2.1
183.08147	1.3
183.11652	3.4
184.07353	1.6
185.09666	1.9
185.13297	5.6
187.11194	2.5
187.14838	3.4
189.11229	8.9
189.12721	2.2
195.11729	1.8
197.13211	2.5
199.11174	2.5
199.14821	1.8
211.11121	1.5
211.14920	1.7
213.12779	2.9
213.14798	1.4
227.12689	7.9
229.14348	31.4
229.45337	1.7
245.13797	2.5
250.28990	1.3
259.20535	3.4
261.22238	5.7
273.22079	1.9
277.21680	3.2
279.23151	1.4
283.20752	1.8
289.21713	1.8
291.23303	1.8
297.22168	1.1
301.21683	4.4
303.23184	2.7
313.21561	1.8
315.23297	2.5
317.24780	1.5
319.22675	3.2
327.23108	2.9
335.25885	13.0
337.27481	7.5
341.24872	2.4
345.24255	1.4
351.23053	6.6
353.24973	1.5
359.00815	1.1
359.25504	1.6
369.24167	13.3
371.17023	4.8
371.26312	1.9
373.18729	5.9
383.24991	1.1
387.25250	8.6
405.26331	4.8
423.27289	1.6
443.27832	3.8
461.29001	7.7
479.30148	7.0
489.35867	7.7
507.36905	2.8
529.35150	1.5
543.36426	1.3
573.37897	1.7
579.36523	1.6
585.37640	2.1
597.37781	4.2
615.38867	5.6
633.39911	35.8
651.40967	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44487	0.2
52.33227	0.2
56.05011	0.7
58.06606	0.7
60.08167	6.3
70.74365	0.5
71.07375	3.4
81.07043	0.4
86.09708	29.7
95.35115	0.3
98.97951	0.2
98.98470	2.6
104.10738	1.8
109.10129	0.6
125.00011	20.4
184.07346	100.0
185.07622	0.3
229.24577	0.2
240.46834	0.3
250.01031	0.2
401.68515	0.3
650.44025	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	649.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.1
51.58298	1.4
53.03949	14.5
54.23537	1.5
55.01882	8.3
55.05511	27.8
57.03447	14.7
59.05005	1.6
61.02930	2.4
64.23174	1.5
65.03940	5.7
67.05508	70.9
69.03434	23.4
69.07077	14.9
71.04990	6.8
71.53902	2.6
73.06543	2.3
77.03928	3.3
79.05497	100.0
81.03425	42.3
81.03917	2.1
81.07062	61.5
83.04983	15.5
83.08627	10.7
85.02911	14.0
85.06528	5.8
86.02654	1.8
86.09718	7.8
91.05487	93.5
93.07048	93.1
94.07365	1.6
95.04976	35.6
95.08614	36.7
97.02892	11.4
97.06535	10.1
97.10166	5.6
99.04465	4.0
101.02382	1.6
103.03964	2.2
103.05475	4.8
104.10759	4.6
105.03409	2.2
105.04520	5.6
105.07039	59.1
107.04964	17.1
107.08598	24.4
109.02885	5.1
109.06527	9.0
109.10165	9.0
111.04437	3.6
111.08065	2.4
115.05437	4.2
117.07022	26.8
119.05005	2.4
119.08585	40.9
120.84849	1.5
121.06484	7.3
121.10147	8.0
123.04430	3.0
123.08093	14.0
124.99968	4.6
127.03925	6.7
127.07592	2.3
127.25376	1.5
128.06219	11.1
129.05481	3.6
129.07014	35.3
131.04942	4.6
131.08557	22.1
133.06502	8.5
133.10124	18.2
135.08035	4.9
135.11702	5.5
137.09634	2.1
141.06982	5.5
141.09100	1.5
142.07744	2.9
143.08569	22.5
145.06476	7.1
145.10130	18.2
147.08017	7.5
147.11690	41.3
155.08557	6.1
157.06479	5.9
157.10095	8.2
159.08096	8.7
159.11725	6.7
161.05991	3.0
161.09656	7.8
161.13269	18.2
163.11223	2.6
165.06902	1.9
167.08591	4.7
169.10104	6.2
171.08072	10.5
171.11707	37.3
173.04451	10.5
173.05807	2.0
173.09624	4.5
173.13190	2.7
177.12801	2.4
178.85484	1.5
179.14392	3.0
181.10101	4.3
183.08064	1.8
183.11710	2.8
184.07350	19.7
185.09627	4.9
185.13240	3.7
187.11179	3.5
189.09142	1.7
189.12735	18.1
191.14223	2.2
195.11578	2.8
195.30099	1.6
199.11238	1.6
201.12814	2.3
203.14290	2.2
205.12228	2.7
207.13805	42.8
211.14816	1.6
215.14272	1.7
221.15364	4.7
223.14848	3.7
225.14854	5.3
241.15871	8.7
245.15387	2.7
251.14374	5.2
259.16925	3.3
261.14932	2.7
263.16400	3.8
267.09171	3.1
269.15384	12.2
271.16821	2.5
279.16006	3.5
281.17508	67.6
285.10010	2.3
287.16541	17.5
297.14993	1.7
305.17471	3.1
309.17004	2.7
315.15948	4.1
333.16998	6.4
351.18274	3.8
361.20169	5.2
407.20453	3.1
425.21600	10.7
447.28885	1.5
485.17368	1.8
487.30527	56.5
501.32034	3.6
519.32971	1.9
529.32086	2.4
539.33380	4.8
549.31842	3.3
567.33228	12.1
585.33636	4.2
595.32471	1.7
631.34943	13.6
649.38977	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	649.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15236	0.5
71.28963	1.2
73.05462	0.5
93.07029	0.6
111.36800	0.6
126.58916	0.6
131.57458	0.5
155.29950	0.5
189.21172	0.5
202.96254	0.5
208.92241	0.5
375.97192	0.5
387.16330	0.5
389.17728	0.8
402.18332	0.9
403.19266	0.8
415.19174	1.5
416.20450	1.0
417.20901	2.3
418.21533	0.8
419.22534	1.1
429.21204	0.8
430.17889	1.7
431.18027	5.1
432.23248	0.9
433.24191	3.0
444.19632	1.8
445.20010	6.0
446.21008	2.0
447.21921	1.5
457.20157	0.8
459.22372	6.1
460.22836	3.9
461.23505	3.2
473.19174	5.7
474.20450	1.1
475.25522	0.7
487.20673	2.5
489.23682	1.3
501.22635	0.7
502.23669	3.0
503.24567	5.7
505.22241	0.6
515.24548	1.1
517.23383	0.8
519.23700	0.9
529.25763	0.8
531.23615	1.0
532.24713	0.6
533.21771	1.2
534.50763	0.8
545.21466	0.6
546.26123	1.2
547.27332	11.1
559.23132	0.7
561.24817	2.8
573.20905	0.6
575.27020	0.6
589.28113	22.8
591.25964	0.6
607.28705	3.0
649.30212	100.0
650.30450	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78991	0.5
56.96566	0.6
59.91222	0.5
71.53625	0.9
87.78422	0.5
98.97599	1.1
110.97575	0.7
127.00366	0.5
127.03941	0.8
128.57390	0.5
151.03880	0.5
163.03824	0.7
165.20421	0.5
179.03424	0.8
185.04222	1.6
190.54454	0.5
192.03976	2.2
193.04781	1.0
219.01787	1.0
226.98405	0.4
237.02805	0.9
257.04507	0.5
315.10519	100.0
316.10806	0.9
347.04297	0.7
349.08047	0.5
355.10013	24.1
490.91190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60386	0.5
67.05510	1.5
70.95437	1.2
79.05518	1.0
81.07050	1.1
93.07054	0.5
95.08617	0.6
105.07053	0.7
107.08603	0.7
108.98223	0.4
109.10112	0.5
117.07074	0.6
119.08589	0.7
121.10198	0.5
243.08493	0.9
274.09299	0.5
429.26221	2.0
485.28937	2.5
647.34045	100.0
648.34149	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
59.58831	0.6
63.05222	0.5
67.05497	1.3
69.07059	0.8
69.95804	0.5
72.38312	0.6
79.05504	0.6
81.03415	0.7
81.07043	1.3
83.08588	0.6
91.05479	1.5
93.07045	1.6
95.08614	1.1
98.93384	0.5
105.07013	0.8
106.99478	0.5
107.08613	1.0
117.06995	0.7
119.08584	0.7
121.10130	0.6
131.08589	0.6
229.67966	0.7
232.21756	0.5
243.08615	0.9
319.82062	0.6
429.26105	2.4
485.28754	1.9
647.34021	100.0
648.34637	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.7
57.03435	0.9
58.99870	2.5
61.02909	1.1
67.05509	8.5
69.03450	0.9
69.07057	2.6
71.04985	0.9
71.54321	1.1
71.54780	1.6
73.02911	0.9
77.00512	1.5
77.00916	15.3
79.05504	11.1
81.03416	2.0
81.07072	5.3
83.08639	1.8
85.02891	1.6
91.03944	1.2
91.05477	6.0
93.07043	4.3
95.01957	5.7
95.04967	5.7
95.08612	2.4
97.02879	1.3
97.10191	1.1
100.02493	1.5
105.07005	3.1
107.08595	2.5
109.06490	1.8
109.10151	3.0
117.04015	1.2
119.08596	3.3
121.10138	1.4
129.03970	1.0
130.59325	0.8
131.01895	1.7
131.08588	1.0
133.10109	1.1
137.09634	3.0
145.10147	0.9
149.09631	1.2
155.05563	1.4
160.74417	1.0
167.05551	1.3
169.07005	0.9
171.26881	1.0
173.06619	1.0
175.07951	0.9
178.21700	0.8
179.09142	1.0
181.07103	1.3
183.08702	3.4
185.06509	1.0
187.08215	2.4
191.07587	1.3
195.08720	3.5
197.10260	7.8
199.08282	1.5
201.09735	13.8
206.08788	0.9
207.05115	2.4
207.08658	0.8
209.06656	1.2
209.10205	2.0
211.08211	1.8
213.09731	24.5
215.09268	1.8
215.11307	29.7
215.13353	1.6
219.10832	6.2
220.11882	1.3
225.09715	1.5
227.11278	12.8
231.10782	27.9
233.12398	6.5
236.11325	3.5
238.12891	2.5
239.11246	1.5
241.12883	1.8
245.10114	1.7
245.12349	12.8
249.13271	1.1
250.13002	2.3
251.11395	2.6
254.12404	1.2
255.14470	1.0
257.12344	1.7
264.12183	1.5
268.14075	1.2
269.12332	3.2
270.12875	2.0
277.13062	1.1
285.16995	1.2
291.18143	1.2
297.16989	3.5
303.18130	1.6
305.93692	0.9
313.16547	2.9
315.18063	29.7
333.19119	59.6
334.19110	1.1
336.45035	0.9
351.20187	100.0
352.20395	2.7
356.20859	6.8
367.19696	12.1
374.17105	0.6
374.21722	19.2
374.26166	1.6
381.21039	1.3
487.29257	4.9
505.30209	16.0
579.01428	1.1
607.37823	1.0
625.40204	1.1
643.30896	1.2
643.40411	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	649.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.05500	0.7
67.05499	1.2
69.03433	8.2
69.07076	0.7
70.17228	0.6
71.40932	0.9
77.03942	1.1
78.26553	0.6
79.05488	2.1
79.06232	0.6
81.03417	1.1
81.07090	0.9
85.02927	0.6
91.05470	0.8
93.07052	1.0
95.04988	3.3
95.08642	1.0
95.09248	0.6
97.02895	2.4
97.06549	0.6
101.03271	0.6
105.03394	74.1
105.07046	0.9
107.04960	6.2
109.02908	1.0
121.02834	0.8
123.04410	0.9
127.03918	5.1
133.02615	15.5
133.10129	0.9
135.04143	3.3
145.10165	0.8
163.03725	0.9
179.03148	11.2
198.81784	0.6
215.10429	6.7
222.79480	0.6
234.17581	0.6
241.08418	1.6
246.45016	0.6
259.09415	5.0
277.10464	10.8
289.06796	7.8
293.93671	0.8
313.18787	0.6
322.07062	0.6
365.24298	0.6
386.08398	0.6
395.11060	1.3
413.12045	1.3
507.16266	0.7
551.15216	14.9
603.01544	0.6
648.37561	0.9
649.22571	100.0
649.38202	3.7
650.23053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38951	0.5
50.67170	0.4
52.12962	0.5
52.86993	0.5
53.03931	1.0
55.01863	0.7
55.05507	4.4
56.57074	0.4
57.03430	3.6
61.02925	7.7
65.03931	0.5
65.99567	0.6
67.05499	5.6
69.03426	2.8
69.07059	2.0
71.04981	1.7
71.54108	0.7
73.02916	2.7
79.05494	6.1
81.03423	30.1
81.07056	7.2
83.04979	5.7
83.08620	11.2
85.02908	15.7
85.06512	0.7
91.03958	7.6
91.05485	9.0
93.07051	5.1
95.04974	10.8
95.08602	2.6
97.02888	5.0
97.06525	1.8
97.10143	1.3
99.04443	1.2
105.07030	7.4
107.04955	3.5
107.08600	2.7
109.02868	0.9
109.06521	2.4
109.10151	0.7
110.72174	0.5
111.04436	1.5
111.08085	6.0
113.05978	1.0
114.37103	0.5
119.08576	6.6
121.06544	0.7
121.10143	3.1
123.08060	0.7
123.11744	0.8
127.03921	3.8
129.06999	4.1
131.08568	3.8
133.06477	2.2
133.10135	3.8
142.07759	1.0
145.04971	3.3
145.10147	0.7
147.08034	1.1
147.11682	6.4
149.09624	3.1
157.10143	7.7
163.06009	4.8
163.11026	0.6
165.12750	2.2
175.11174	8.7
193.12250	34.4
195.38533	0.5
211.13297	28.6
219.01704	0.7
229.14404	1.5
267.15942	16.0
285.16971	100.0
286.17337	1.0
303.05026	2.0
303.18073	1.0
326.92587	0.6
377.01669	2.6
378.02679	0.6
403.04785	1.1
403.55203	1.1
429.21188	1.1
480.33231	0.6
483.17340	0.6
490.15881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.4
51.02380	0.6
53.03711	0.2
53.03950	2.1
54.37556	0.1
55.01870	0.3
55.05519	0.2
57.03437	0.2
61.02925	0.5
67.05503	0.3
69.03431	8.8
69.07082	0.2
77.03911	0.9
79.05494	2.8
81.03423	0.7
81.07072	0.4
85.02904	0.6
91.05486	0.8
93.07046	0.3
95.04974	3.1
95.48788	0.1
97.02888	1.9
98.20696	0.2
99.04476	0.7
100.38209	0.1
105.03394	100.0
106.03729	0.3
107.04956	37.4
109.02876	0.8
109.10130	0.2
117.07030	0.2
118.62347	0.1
119.04939	0.3
121.10165	0.2
123.04420	1.1
127.03920	7.7
131.04967	0.3
133.10133	0.1
139.03873	0.3
142.45813	0.1
145.04951	0.6
145.06483	0.6
159.08055	0.4
161.09642	1.2
187.11137	1.1
189.05476	0.3
205.12210	0.3
211.07578	0.2
211.13225	0.1
231.06537	3.2
249.07603	2.9
258.27875	0.2
265.07028	0.3
267.08633	35.4
268.09113	0.3
325.14435	0.3
347.14896	0.6
359.47488	0.1
373.12997	0.2
439.26669	0.2
521.82251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.7
57.20459	0.3
67.05502	1.4
71.57342	0.3
79.05466	0.8
81.07080	1.5
83.08580	0.4
84.34721	0.3
91.05438	1.0
93.07001	1.2
95.08553	1.0
97.10178	0.3
99.08018	0.3
105.06979	1.0
107.08538	0.8
119.08549	0.5
120.84953	0.3
121.10106	0.8
131.08553	0.4
133.10143	0.5
147.11667	0.4
168.81871	0.3
180.79399	0.3
200.87433	0.3
325.07480	0.3
396.12119	0.4
397.13101	1.4
398.14166	0.3
399.14661	0.4
410.13858	1.3
411.14590	4.2
412.15332	2.4
413.16312	0.7
423.14716	1.0
424.11337	1.1
424.15497	1.3
425.16248	7.2
426.16891	5.3
427.17377	1.0
428.18674	0.7
437.11481	0.4
437.16531	0.3
438.13129	1.5
439.13385	6.5
440.19089	3.0
441.19318	24.1
442.19644	0.9
451.18243	0.4
452.14523	2.2
453.15176	7.7
454.16046	2.5
457.15009	0.5
458.15942	0.6
463.13794	0.6
465.15518	0.7
466.12781	1.0
467.17197	17.3
468.18011	8.0
469.18860	10.6
470.19507	0.5
472.17801	0.4
480.16745	0.4
481.14871	12.1
482.15433	2.3
485.18408	0.4
495.16037	2.1
496.17285	10.0
497.17981	1.8
499.19519	0.4
508.20105	0.5
509.18564	1.3
510.21280	0.3
512.20825	0.6
514.22186	1.0
522.17908	0.6
523.19769	0.8
527.23511	1.6
537.20123	0.4
540.20160	0.4
542.21625	1.2
555.22430	17.2
556.22760	0.9
568.19507	0.6
583.21924	100.0
584.22119	3.6
587.25122	1.1
607.44263	0.4
611.21558	1.2
615.24603	7.5
625.28888	0.5
643.23938	24.1
644.24292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.1
57.03445	1.3
67.05178	0.8
67.05510	4.5
69.07058	1.9
69.40800	7.0
69.80739	0.8
73.90498	0.8
73.90932	0.9
79.05487	3.1
81.07068	4.9
83.08616	1.8
89.06073	1.3
91.05473	3.2
93.07047	3.0
95.08591	3.7
99.08063	1.0
105.07050	2.3
107.08580	1.7
109.10136	1.6
111.48103	0.9
117.07040	0.9
119.08613	1.6
121.10172	1.9
131.08621	1.4
133.10106	1.4
145.10141	1.0
159.11757	1.0
225.13882	1.1
235.12032	0.9
237.13965	1.0
259.12430	0.8
261.14026	1.2
275.15451	1.3
289.17010	1.6
291.19461	2.0
296.38040	0.9
335.25507	2.1
352.17838	1.1
359.96548	0.9
363.16394	1.5
368.21127	1.0
377.17636	2.7
378.18494	1.1
379.19458	2.7
391.19379	4.1
392.19937	1.5
393.20758	2.8
395.18637	3.4
405.20831	2.7
406.21402	2.8
407.22415	7.1
409.20389	6.1
421.23859	3.9
423.21744	6.4
424.22568	1.1
424.37585	1.0
435.18295	1.6
437.23215	1.3
451.21152	3.4
465.22867	10.1
466.23721	1.2
479.24237	3.3
492.23651	0.9
493.25809	1.4
494.26028	1.1
495.27277	3.7
496.24969	1.0
497.25662	2.1
507.27719	1.0
511.27237	11.8
512.26422	0.9
525.28369	2.9
527.26318	1.0
537.24805	1.8
539.25983	1.2
541.27795	1.4
552.26733	2.4
555.25519	0.9
567.29688	20.2
568.29895	2.0
569.27740	5.3
583.29211	6.1
584.29895	2.0
599.32306	100.0
600.32178	1.9
611.28113	1.5
625.44415	2.3
643.31647	12.4
643.41815	1.7
643.98682	1.0
655.93933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01858	1.3
57.03447	0.4
63.59958	0.4
65.03940	2.7
67.05477	1.3
69.03416	1.2
69.23000	0.4
70.31848	0.9
70.32241	0.8
77.03920	0.4
78.04714	2.8
78.92519	0.4
79.05485	3.1
81.03410	1.1
81.07034	1.1
82.04169	1.3
85.02904	1.9
91.05491	4.1
93.03383	1.6
93.07074	1.9
95.04963	2.2
95.08619	0.5
97.02872	0.7
97.06514	1.3
103.05472	4.1
105.03397	2.8
105.04490	0.7
105.07017	1.3
106.04174	1.8
107.04963	3.7
107.08608	0.6
108.02060	0.6
109.02839	0.5
109.06498	0.6
110.03662	1.1
111.04435	0.8
115.05453	6.4
117.03345	0.7
117.06232	0.6
117.07021	9.8
119.04931	0.9
119.08563	0.9
121.06522	3.0
122.03642	0.6
123.04424	8.2
124.05216	3.2
125.06020	1.0
127.03959	0.5
127.05434	1.6
128.06068	0.4
129.07021	0.6
131.04929	3.1
132.05681	0.5
133.02824	0.7
133.06480	1.5
134.03584	1.1
135.04408	0.9
137.05975	2.0
138.03108	0.7
140.04668	0.6
142.02623	1.5
143.04941	0.6
144.05707	0.7
145.06490	13.3
147.04384	1.4
147.08043	0.8
148.05185	0.8
149.05991	4.0
151.03900	2.0
151.07506	0.7
152.04671	2.6
153.05490	2.3
155.04860	0.8
155.06033	5.9
155.07172	0.6
157.06441	0.5
159.04379	0.9
160.05151	0.7
161.06017	1.9
163.03947	1.0
163.07542	1.1
165.05560	1.0
167.07043	100.0
168.07346	0.5
171.06528	1.8
171.07915	0.4
173.05991	22.6
175.07538	1.4
177.05484	4.6
179.06969	0.5
181.04959	53.6
181.08493	1.2
191.07008	3.8
193.08636	1.1
195.06532	1.1
201.05551	0.9
203.07016	1.8
205.08604	6.4
207.06438	0.8
209.08037	3.0
213.05380	0.6
217.08600	0.7
219.06566	0.5
221.08125	0.6
221.17348	0.4
231.06543	1.6
231.29289	0.4
233.08063	6.0
235.07549	0.9
235.09663	6.5
250.06308	0.4
251.07045	0.6
265.08643	1.2
277.08813	0.6
279.38959	0.4
282.08954	0.7
283.09573	0.7
285.09955	0.8
293.07947	1.0
294.08682	0.9
297.11182	1.6
310.08374	1.4
311.09332	0.5
315.08640	0.5
323.08887	0.5
325.10779	1.4
326.11313	0.5
327.08701	0.6
342.11124	0.6
353.10303	1.0
357.13354	5.2
381.13348	0.5
385.12817	29.0
386.13223	1.1
387.14395	5.6
395.51974	0.5
399.14380	1.1
415.13708	1.1
417.15424	11.1
448.18845	0.5
643.23840	63.8
644.23938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23711	0.3
53.03929	1.4
55.01867	0.6
55.05500	0.6
56.42358	0.3
65.03939	2.7
67.05477	1.1
69.03418	0.8
69.07038	0.5
70.41700	0.3
71.04987	0.4
71.40744	0.6
77.35452	0.4
78.04714	3.3
79.05499	2.2
81.03401	0.9
81.07026	0.9
82.04188	0.9
83.04992	0.4
85.02898	1.5
89.03905	0.7
91.05486	3.9
93.03391	1.3
93.07050	1.8
95.04986	2.3
95.08560	0.4
96.05779	0.4
97.02867	0.6
97.06513	1.1
103.05457	3.9
105.03387	0.4
105.04552	0.8
105.06985	1.2
106.04170	1.9
107.04951	4.2
107.08582	0.5
110.03631	1.5
111.04450	0.5
115.05450	4.9
117.07015	7.9
119.04916	1.0
121.02879	0.4
121.06496	2.7
121.10136	0.6
122.03700	0.4
123.04426	8.5
123.58770	0.3
124.05228	2.9
125.05970	1.3
127.05432	1.3
129.06964	0.5
131.04955	2.5
132.05673	0.6
133.02827	0.5
134.03625	0.9
135.04407	0.6
137.05968	2.2
138.03117	1.0
139.03899	0.4
140.04683	0.7
142.02596	1.2
143.04968	0.6
144.05675	0.6
145.02863	1.0
145.05414	0.7
145.06491	11.8
147.04419	1.6
147.07976	0.6
148.05135	1.1
149.05989	4.0
151.03902	1.7
151.07501	0.7
152.04724	2.2
153.05467	2.0
155.06030	5.3
155.07149	0.7
159.04391	1.2
160.05188	0.4
161.05983	1.2
163.03868	1.0
163.07489	0.5
165.05447	1.3
167.07036	100.0
168.07391	0.6
170.02112	0.4
171.06586	1.7
173.05980	23.7
174.06580	0.7
175.07520	1.3
176.04718	0.5
177.05478	5.5
179.07004	0.4
181.04955	44.8
191.06998	2.0
195.06577	1.1
201.05481	0.5
203.07063	2.1
205.08598	5.6
207.06389	0.5
209.08086	2.9
217.08656	0.5
219.06427	0.6
219.08282	0.4
221.06096	0.5
221.07977	0.5
231.06506	1.0
233.08032	5.7
235.07516	0.7
235.09660	6.8
241.07262	0.5
249.11319	0.4
250.06317	0.8
265.08698	0.4
267.06589	0.5
273.03705	0.4
283.09778	0.5
287.05627	0.5
293.08041	0.5
297.11240	0.9
310.08554	0.7
311.09253	0.5
325.10764	1.5
326.11694	0.6
329.13995	0.4
342.10977	0.5
353.10251	1.5
357.13315	5.7
385.12805	31.2
386.13489	1.2
387.14371	5.9
396.27347	0.5
399.14471	0.7
402.11053	0.3
415.13782	0.5
417.15417	13.3
634.41608	0.4
643.23834	55.6
644.24231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12249	0.7
53.03947	0.9
55.01855	1.5
55.05511	3.6
57.03434	1.5
61.02915	2.0
63.52458	0.6
67.05508	10.7
69.03403	0.9
69.07072	4.4
71.04974	1.2
79.05068	0.9
79.05499	11.6
81.07059	10.5
83.04964	1.4
83.08617	2.3
84.61096	0.6
85.02923	3.2
85.06547	1.3
91.03966	0.9
91.05486	12.6
93.07048	10.8
95.04948	1.5
95.08611	7.2
97.02924	0.8
97.06516	1.6
97.10163	0.7
98.21564	1.0
105.07033	14.1
107.04971	1.0
107.08609	6.5
109.06554	1.3
109.10165	2.7
111.08065	1.1
117.07044	6.6
119.08591	9.9
121.06495	1.2
121.10137	4.9
123.08067	1.4
123.11716	0.6
125.09595	0.8
128.06248	1.2
129.07008	5.4
131.08568	13.5
133.10121	6.4
135.08081	1.6
135.11720	2.5
137.09613	1.0
137.10648	0.7
141.06993	1.6
142.07751	0.8
143.08595	4.6
145.06572	0.8
145.10147	7.8
147.08034	1.1
147.11732	1.9
149.09633	0.8
149.13272	0.9
155.08557	2.6
157.10147	3.7
159.08003	1.0
159.11678	4.2
161.09663	1.0
163.11153	0.9
167.08499	0.7
169.10161	2.4
171.11670	2.8
173.13213	1.9
181.10129	1.6
183.11748	1.6
185.13295	2.1
187.14795	1.8
195.11813	1.0
197.13277	1.5
199.14874	1.3
201.16461	1.3
209.13326	1.5
211.14830	1.3
223.14850	0.8
261.18533	0.8
275.20230	0.9
325.25156	0.8
343.26382	1.3
353.24823	3.5
371.25751	4.9
389.26956	5.2
420.29025	0.7
427.28253	0.9
445.29523	100.0
446.29959	2.0
463.30560	22.6
537.85645	0.7
642.29956	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01859	1.5
55.05503	2.5
57.03438	2.6
65.03942	0.8
67.05515	4.9
69.03429	3.5
69.07057	1.4
71.01357	0.5
71.04984	0.9
75.04468	1.1
79.05499	7.6
81.03417	3.2
81.07056	6.6
83.01314	0.7
83.04968	1.4
85.02904	5.5
85.06503	0.6
87.04501	0.5
91.05482	12.8
93.07043	34.0
95.01397	0.5
95.04966	3.8
95.08609	14.1
97.02898	4.3
97.06532	1.7
97.10152	1.0
101.02380	0.9
101.89243	0.5
103.05466	1.2
105.03368	0.7
105.04520	0.6
105.07022	7.7
107.04954	2.8
107.08598	5.9
109.02856	1.2
109.06494	1.6
109.10169	1.9
111.04453	1.0
111.08096	2.0
113.02353	1.8
115.05476	0.7
116.06204	0.6
117.07023	2.1
119.04949	4.3
119.08582	14.1
121.02879	0.8
121.06506	2.2
121.10147	19.7
123.04425	1.6
123.08061	1.3
123.11689	0.7
125.02344	0.5
125.09634	0.7
127.03916	1.8
128.06238	1.3
129.07002	2.1
130.97882	0.5
131.03413	0.9
131.04901	1.4
131.08562	4.0
133.06476	2.2
133.10159	2.6
135.04434	1.8
135.08043	1.5
137.05983	3.9
137.09567	1.0
139.03879	1.0
139.11197	0.5
140.04651	0.5
141.01813	2.0
141.05470	0.5
141.06979	1.3
142.07806	0.6
143.08546	2.1
145.02702	0.5
145.06480	2.0
145.10104	2.1
147.04405	1.6
147.08118	3.1
147.11711	1.1
148.05153	0.6
149.05919	1.1
149.09625	13.1
149.13277	0.6
151.03905	1.1
151.07507	0.8
153.01866	1.5
153.05484	1.0
153.06906	0.6
154.07751	0.6
157.10146	2.3
159.02899	1.7
159.08052	1.2
159.11700	1.3
161.09579	2.9
163.07645	0.9
163.11153	0.8
165.05525	1.2
165.09050	0.7
167.07054	5.0
167.10664	2.7
169.06372	0.6
169.10138	1.5
171.08069	1.6
171.11632	0.7
173.05908	1.2
173.09642	0.8
175.07527	1.1
175.11166	1.4
177.09070	1.0
179.08566	0.7
181.05023	2.3
183.02928	0.9
185.09648	1.1
187.07538	1.0
187.11151	1.1
189.09181	0.9
191.07018	0.9
191.10696	0.8
193.05002	1.4
193.12196	0.6
197.05836	0.6
197.09621	1.6
199.11171	1.2
203.10696	1.5
205.08524	0.9
211.05971	1.0
213.03941	4.1
215.07016	1.1
215.10701	2.4
225.09091	1.3
227.10760	1.1
233.08104	1.3
233.11771	1.2
243.10176	1.9
245.11710	1.0
253.08592	0.5
257.04321	0.6
258.05231	13.2
258.07870	0.9
261.11255	1.3
263.12860	0.6
267.09088	1.6
269.12421	0.5
271.09668	1.2
279.12186	0.6
285.10040	1.0
286.04727	34.0
287.05487	15.5
289.10779	2.3
301.07068	100.0
302.07486	1.3
307.11832	4.2
313.07013	3.0
325.12738	5.6
343.13885	6.0
358.46042	0.5
417.15271	1.0
449.16101	0.7
625.19421	1.0
642.31775	0.9
643.23163	1.0
643.37018	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33123	0.6
67.18851	0.7
69.37843	1.2
69.38245	3.4
69.61440	0.6
98.97507	0.7
113.33541	0.5
116.91679	0.6
144.15628	0.6
157.20125	0.5
178.89330	0.5
191.73502	0.6
268.17642	0.6
287.13477	0.8
396.12036	1.1
397.13058	1.8
399.14850	0.7
409.13257	1.0
410.13879	2.4
411.14581	5.1
412.15436	4.2
413.16113	1.2
423.14981	0.8
424.11017	1.1
424.15881	1.4
425.16296	12.3
426.16901	8.8
427.17719	1.6
428.18512	1.9
437.16309	1.3
438.12241	2.9
438.18137	0.8
439.13672	16.0
440.19083	4.2
441.19315	38.6
442.19504	1.5
452.14236	3.1
453.15366	17.1
454.16022	4.0
455.17163	0.7
463.14340	0.9
465.15668	0.7
466.12051	0.7
467.17239	27.7
468.17950	16.6
469.18863	14.2
472.17343	0.8
480.17343	1.7
481.14868	14.2
482.15247	2.8
485.18127	1.0
495.17096	2.1
496.17273	9.2
497.18231	2.3
498.18927	1.0
499.19458	1.2
503.85724	0.6
508.19431	1.0
509.18369	2.1
512.20581	1.2
513.21472	0.9
514.22552	3.2
523.19464	1.5
527.23761	3.2
555.22406	32.9
556.23022	1.2
568.18939	0.9
583.21930	100.0
584.22375	4.4
587.24957	2.0
611.21497	1.7
614.23981	1.0
615.24512	14.4
643.24017	82.5
644.24066	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	641.2978
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05500	4.2
57.07093	1.1
66.24483	0.8
67.05518	6.2
69.07053	1.9
79.05489	5.9
81.07070	6.9
83.04986	1.8
83.08621	1.3
85.10226	1.0
89.96049	0.8
91.05473	3.9
92.43486	1.1
93.07045	6.2
95.04991	1.3
95.08592	3.5
98.21475	2.0
105.07030	4.2
107.08586	3.3
109.10162	2.1
116.05766	0.9
117.07040	2.6
119.08603	3.0
121.10126	2.1
125.09625	1.1
129.06999	1.3
131.08591	2.5
133.10127	2.9
135.11700	2.0
143.08646	1.2
145.10127	3.3
147.11714	2.7
149.09573	0.9
159.08054	1.1
159.11682	1.2
160.26973	0.9
161.13237	1.2
169.04427	1.1
171.11700	1.2
187.14891	1.1
221.10120	0.9
222.11203	1.0
227.12575	1.4
275.20120	2.6
291.19476	2.1
333.24289	1.0
335.25601	1.1
349.23785	1.3
401.17761	1.4
402.18317	1.4
403.19263	3.1
404.19733	1.7
407.22052	1.4
415.18945	1.7
416.20093	2.4
417.20407	3.2
418.21774	1.4
421.24069	2.1
429.20645	4.0
430.21448	2.8
431.22366	3.2
433.17780	1.0
433.24161	6.4
435.21671	1.9
443.22339	2.7
444.23578	2.1
445.23743	3.3
447.25885	1.6
459.21786	3.8
460.22299	2.3
462.20547	3.7
463.21307	2.8
473.23111	4.1
474.24512	1.4
475.21478	5.6
476.21945	1.4
477.22931	15.9
485.23483	1.3
487.25000	6.6
489.22662	1.8
491.24234	2.6
503.24146	2.2
504.25278	1.7
505.25687	2.1
506.26694	2.1
515.24506	1.5
519.27319	3.8
531.23352	1.0
535.23462	3.1
545.25574	8.1
547.27155	13.7
549.25000	11.4
550.25763	15.5
563.26501	2.9
564.27124	2.9
577.28271	1.8
579.29401	6.6
591.26068	13.1
599.58276	1.0
605.27515	19.2
606.27197	1.1
623.28687	100.0
623.42712	2.8
624.28430	1.7
638.68793	1.0
641.29022	1.5
641.43488	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	641.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.6
55.05516	26.3
57.03427	19.7
57.07059	7.7
67.05508	69.7
69.03419	19.9
69.07063	22.8
70.39014	16.4
70.50195	5.1
71.04997	17.2
79.05491	63.0
81.02989	7.3
81.03423	88.3
81.07062	100.0
83.04988	37.9
83.08614	40.6
85.02896	23.2
85.06519	6.7
91.05492	50.8
93.07044	79.2
95.04459	5.1
95.04965	29.5
95.08602	22.4
97.02893	18.6
97.06522	18.0
97.10175	7.4
98.21525	5.5
99.04461	5.2
99.08082	6.6
105.04535	5.3
105.07037	29.0
107.04975	12.3
107.08608	45.5
109.02869	15.6
109.06513	7.0
109.10154	14.6
111.04429	18.2
111.08070	18.0
117.07025	16.6
119.08575	22.3
121.06514	5.2
121.10130	22.0
122.92185	4.4
123.11652	6.4
127.03942	8.4
129.05486	11.1
129.07030	10.0
131.08575	15.5
133.10136	19.2
135.11711	12.1
137.09605	6.4
139.11020	4.8
145.10100	8.6
147.11684	19.2
149.09647	9.5
149.13312	25.8
157.10143	12.3
159.11714	22.0
163.11172	7.8
175.11186	12.1
177.12717	5.3
193.12286	33.4
194.53285	6.3
195.13751	12.5
211.13277	48.8
227.12880	6.3
229.14311	6.6
267.09244	5.5
267.15933	30.9
269.17468	70.5
285.16940	18.0
411.19882	9.7
429.21277	11.3
456.47818	5.3
461.29007	81.9
479.30060	65.5
487.31339	5.5
605.84808	5.7
623.34283	67.6
641.21722	8.7
641.33533	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	641.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.05510	1.2
56.96568	0.5
67.05502	1.8
69.03429	0.9
69.07063	0.9
71.04996	0.6
71.54089	0.5
79.05510	1.9
81.03403	1.4
81.07050	2.8
82.52772	0.3
83.08625	0.5
85.02920	0.4
87.04475	0.3
91.05494	1.8
93.07037	2.0
95.04990	0.8
95.08601	2.1
97.06520	0.7
97.10194	0.5
98.97591	0.4
99.04452	0.5
105.03411	0.9
105.07034	1.1
107.08597	1.3
109.00710	0.3
109.02863	0.7
109.06520	0.4
109.10174	1.4
109.56576	0.3
111.08129	0.4
117.07085	0.3
117.50024	0.3
119.08597	0.8
121.10145	1.1
123.04436	0.4
123.08062	0.3
125.09637	0.5
127.03951	0.6
131.08638	0.5
133.10112	0.6
135.11739	0.5
137.09605	0.5
139.07581	0.3
145.10132	0.6
147.04427	0.7
147.11746	0.5
149.09645	0.4
149.13258	0.4
159.11737	0.5
163.11240	0.5
173.09714	0.4
177.05510	0.5
193.12215	0.4
211.13272	0.4
287.05814	0.3
417.29767	0.6
461.29321	0.8
611.37689	3.4
641.38727	100.0
642.39215	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2974
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05513	1.5
55.32206	0.6
60.71249	0.7
67.05507	2.9
69.07081	1.4
69.89967	3.9
79.05502	2.3
81.07080	2.5
81.38103	0.6
91.05490	2.0
93.07052	2.3
95.08611	1.5
97.10186	0.7
105.07082	1.3
107.08623	1.1
117.07021	0.9
119.08572	1.2
121.10142	1.2
131.08594	0.9
133.10150	1.3
145.10127	0.8
179.70335	0.7
209.10664	0.8
210.11555	1.4
211.12285	1.2
223.08533	0.7
224.13231	0.8
225.13889	1.9
237.13841	1.1
238.14636	1.0
238.85323	0.8
239.15530	1.3
245.22780	0.7
275.20175	2.1
304.14499	0.9
313.15616	0.8
318.15955	0.9
331.17758	0.8
332.17648	1.5
344.17856	0.9
384.17181	2.1
389.17816	0.8
392.19843	2.1
393.20615	1.2
401.17572	1.1
403.19321	3.1
404.20166	1.9
405.20987	2.4
406.21368	2.5
407.22144	4.3
412.16617	1.6
415.18997	1.2
415.58481	0.7
416.19998	2.0
417.20953	3.6
418.21420	1.5
419.22321	2.0
419.77914	0.8
420.22879	2.1
421.23651	4.8
422.24423	4.8
427.19064	0.8
428.19971	0.9
429.20917	2.5
430.21725	1.7
431.22430	2.1
433.24365	4.0
434.18842	0.8
434.24496	3.5
435.21890	1.5
443.22931	1.4
444.18362	3.5
445.19260	1.2
445.24036	3.3
446.24783	0.9
447.25751	1.3
448.18875	0.9
448.26196	1.0
449.23785	1.4
459.21643	2.3
459.26666	1.0
460.22675	2.2
461.19504	1.5
462.20660	2.5
463.21481	3.1
473.23520	3.7
474.24252	2.6
475.21359	2.9
476.22275	1.3
477.22891	12.6
487.25241	4.3
489.22980	1.8
491.24847	3.3
505.25772	1.1
506.26874	2.7
515.24597	1.3
519.27667	2.0
532.24622	1.1
535.23889	2.6
545.25433	7.0
546.26337	1.0
547.27130	14.1
547.34998	0.5
549.24951	8.2
550.25775	13.0
563.26666	2.8
564.27087	2.2
577.28400	1.0
579.29767	6.7
591.25977	10.6
605.18243	0.6
605.27618	16.3
609.27100	10.1
623.28680	100.0
624.29126	2.9
641.29413	7.9
641.38660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
67.05510	0.5
69.07064	0.3
70.38988	0.7
79.05521	0.6
81.07047	0.4
85.82613	0.2
87.52062	0.3
91.05531	0.2
93.07037	0.2
95.08631	0.5
105.07080	0.4
108.23826	0.3
183.09308	0.3
209.10722	0.3
215.89882	0.3
217.82536	0.2
275.20068	0.6
314.13052	0.3
328.14114	0.3
342.16245	0.3
377.17831	0.7
379.19434	0.4
391.19223	1.1
392.20383	0.5
393.20956	1.7
394.21707	0.3
405.16571	1.8
405.21625	0.5
406.17850	1.0
406.22302	0.5
407.18436	0.7
407.22736	3.6
408.22998	0.8
409.23431	0.3
418.17899	0.8
419.18405	2.6
420.19064	1.4
421.20422	3.6
422.20975	0.4
423.21539	1.2
433.20523	4.1
434.21420	3.8
435.22055	6.4
436.22583	1.0
447.22522	1.4
448.23233	0.5
449.19629	7.3
451.21613	0.5
461.24121	0.6
462.20200	0.6
463.21091	2.9
464.22278	2.1
465.19336	0.9
467.24393	0.6
475.21335	0.3
476.21747	0.4
477.22787	0.8
479.20837	1.0
480.21964	0.7
481.22125	1.6
491.24698	0.5
493.22104	2.5
494.23102	2.6
495.23846	3.1
507.24060	1.9
508.24435	0.4
521.25671	11.5
522.26483	0.5
523.27008	0.9
526.25281	0.3
535.23499	0.4
539.22626	1.2
549.25012	0.8
550.25562	0.5
552.23907	0.3
553.25275	0.5
563.27124	1.3
567.26196	0.4
580.26483	0.4
581.27643	19.4
582.28339	0.8
595.26282	0.3
609.28241	0.5
613.30066	0.5
641.29688	100.0
642.29626	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	641.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96637	0.2
53.01071	0.3
55.05519	0.4
56.96561	0.4
59.15942	0.3
61.01595	0.3
67.05494	0.8
70.29949	0.2
79.05497	0.8
81.07056	0.8
85.02959	0.3
88.01172	0.3
91.05489	0.7
93.07031	0.6
94.06583	0.4
95.04997	0.4
95.08601	0.4
99.37514	0.3
102.90607	0.2
105.07047	0.7
107.08598	0.5
109.10220	0.3
119.08624	0.4
120.08101	0.4
127.35519	0.3
131.08589	0.6
133.10138	0.4
134.09644	0.4
135.08040	0.3
135.11681	0.3
147.11694	0.3
149.09618	0.3
161.13286	0.4
213.50700	0.3
223.12514	0.5
225.10355	0.5
227.11737	0.3
229.67435	0.3
230.20924	0.3
235.12302	0.3
239.11874	0.3
247.08647	0.4
251.11868	0.3
265.13538	0.3
275.19971	0.3
328.14468	0.4
330.16101	0.3
331.16058	0.5
349.16940	1.0
355.16867	0.5
358.19305	0.3
377.17743	0.5
389.13992	0.3
390.18530	0.8
391.19153	1.0
392.20215	0.4
393.21262	0.4
403.15378	0.6
404.16190	0.6
405.16467	0.6
405.20984	1.1
406.21680	1.0
409.19858	0.3
417.16913	0.5
418.17984	0.9
419.18362	1.7
420.23672	0.4
421.16232	0.4
421.24377	0.6
430.21533	1.0
431.18884	0.4
432.19604	0.9
433.20370	3.2
433.24634	0.3
434.21103	2.2
435.21912	0.9
436.19107	0.3
446.16962	0.7
447.17966	1.5
447.22296	1.5
448.23096	0.6
449.23447	1.2
451.21686	0.5
460.19272	0.4
461.19562	9.7
462.20471	3.6
463.21298	0.9
464.21225	0.4
465.19028	1.7
467.24591	2.6
473.20026	0.3
474.20377	0.4
475.21124	1.4
476.22043	2.3
477.22891	2.8
478.20862	0.4
479.20346	1.3
480.21619	1.4
489.22897	0.9
491.20758	0.6
493.21753	1.4
494.23187	3.3
495.23990	1.3
505.22437	0.6
507.24048	1.0
520.24548	0.4
521.22180	1.5
523.23346	0.4
533.21777	0.7
535.26538	1.1
537.24146	0.3
539.22424	0.4
547.27905	0.4
548.24207	3.4
549.24982	1.4
553.20734	0.5
553.28259	1.0
563.26654	6.0
564.26465	0.4
565.24512	1.0
576.23547	0.4
580.26355	0.3
581.27618	12.1
582.27814	0.4
593.23859	0.6
595.28784	0.4
608.26239	2.3
609.24780	0.8
612.25623	0.4
623.28088	1.6
624.27441	0.4
641.29736	100.0
642.29974	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.3
53.03938	5.1
55.01867	3.6
55.05508	20.7
55.87901	2.1
57.03441	17.7
57.03690	3.3
57.07080	46.1
62.38174	1.9
65.03952	2.9
67.05506	67.1
69.03422	4.2
69.07066	27.2
69.85695	6.3
69.86102	4.2
71.04992	4.6
71.08630	32.4
79.05495	37.3
81.03434	6.2
81.07060	65.6
83.04978	8.5
83.08624	22.1
85.06550	3.8
85.10181	17.9
91.05487	39.8
93.07047	42.1
95.04955	9.1
95.08054	4.0
95.08612	44.0
97.06531	11.7
97.10168	8.5
105.07024	30.2
107.04964	3.9
107.08593	25.5
109.06528	3.7
109.10154	18.7
111.08054	3.5
111.41305	2.2
117.07012	10.1
119.08567	21.7
121.06538	4.0
121.10148	14.0
123.11702	5.0
125.09560	2.5
129.06999	5.2
131.08566	16.7
133.10114	18.6
135.08015	3.4
135.11678	12.3
137.09682	2.8
143.08519	2.9
145.10127	9.9
147.11720	9.9
149.09668	6.4
149.13289	8.6
159.11720	7.2
161.13338	2.7
163.11230	3.7
165.03064	2.2
165.09024	2.2
173.13281	6.3
174.32086	2.1
177.12686	2.7
185.13298	2.4
195.13788	5.9
217.15833	4.0
219.17535	2.7
239.17905	2.9
239.23642	3.2
255.15895	13.5
257.19012	8.2
269.17450	16.4
275.20145	29.0
291.19748	2.2
293.21149	2.4
311.25824	3.6
313.27383	82.5
313.36154	3.0
349.23685	24.8
367.24820	2.8
481.06900	2.2
493.38907	18.6
505.39069	3.8
507.40494	100.0
547.43463	8.8
581.23260	4.5
587.46869	14.2
605.47839	4.5
641.25653	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	641.1714
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.03936	0.4
55.01878	0.2
55.05511	0.2
57.03434	1.4
59.05006	0.1
61.02927	0.6
68.99783	0.3
69.03426	1.0
71.01351	0.1
71.04996	10.0
71.53896	0.2
73.02897	0.4
75.04478	0.4
81.03414	0.6
83.04977	0.6
85.02907	12.9
87.04462	0.4
91.03956	0.3
93.07067	0.2
97.02883	1.2
98.97617	0.2
107.04957	2.2
108.05305	0.2
109.02872	1.0
111.00789	0.8
111.04446	0.5
123.04404	0.3
126.03138	0.2
127.03929	0.7
129.05481	2.6
135.04395	0.2
136.01505	0.1
137.02364	0.6
138.03085	0.2
139.03920	1.7
140.04601	0.2
145.04959	0.7
145.26604	0.1
147.04272	0.1
147.06528	1.1
151.03879	0.2
153.01831	4.6
153.05324	0.2
163.03949	0.1
165.01854	1.2
166.02638	0.3
167.03415	1.2
167.07021	0.1
167.54460	0.1
179.03427	0.4
183.02895	0.4
189.05484	0.3
193.04964	0.6
195.02950	0.2
203.03404	0.2
206.05809	0.2
208.03639	0.2
216.04182	0.3
217.04955	2.1
219.02948	1.4
231.06590	0.2
233.04382	0.7
234.05191	0.5
237.02493	0.1
241.05029	0.2
243.03043	0.2
244.03687	1.2
245.04453	3.0
247.02408	0.3
249.04019	0.1
251.47755	0.1
259.06039	0.5
261.03867	0.4
262.04736	0.2
269.04352	0.2
272.03064	0.3
273.03918	2.7
273.06723	0.2
277.07074	0.7
287.05487	0.9
289.03397	1.5
290.04193	1.3
300.02557	0.3
301.03412	4.4
304.05792	0.4
305.06628	0.1
315.04971	0.4
318.03717	7.0
333.06042	100.0
334.06372	1.0
375.07065	0.3
425.14676	0.2
495.11444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4325
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
55.05507	2.1
55.05739	0.3
57.07066	0.8
58.06601	6.2
67.05499	1.0
67.53540	0.2
69.07057	0.8
70.06571	0.5
71.26813	0.5
72.08156	11.3
73.06555	1.7
79.05484	0.9
81.07040	0.7
83.04990	1.5
83.08647	0.3
84.08129	0.4
86.09706	20.8
91.05456	0.6
93.07037	0.8
95.08634	0.5
97.06504	0.3
97.10171	0.2
98.06061	0.6
98.09683	0.3
100.11256	100.0
101.06016	2.1
101.11616	0.3
105.07024	0.6
109.10167	0.4
119.08569	0.4
121.10153	0.2
125.40379	0.2
126.05542	0.2
127.11536	0.2
128.10751	0.6
129.05508	0.3
132.10202	0.3
133.10118	0.3
135.11699	0.3
138.12729	0.3
140.14337	3.8
140.15341	0.4
143.08177	0.4
144.10254	0.3
145.10098	0.3
146.11751	2.7
147.11671	0.2
149.09602	0.2
154.12291	1.8
154.15903	0.8
159.11720	0.3
172.13327	2.8
182.11783	0.4
186.15019	0.3
200.12857	0.3
200.16432	1.7
210.14919	0.3
211.14445	0.6
214.14435	1.2
228.15936	7.6
245.18777	0.5
257.19360	0.2
275.20172	0.3
285.21741	4.3
291.19470	0.4
295.20270	0.3
299.23288	7.8
313.21207	0.5
327.22781	12.9
339.26669	0.3
367.26004	0.5
395.25330	1.1
412.31845	0.4
413.25897	0.3
427.28094	0.3
440.31253	3.0
458.32263	6.5
484.33630	1.1
512.33209	0.8
526.34717	1.1
540.36444	0.5
607.25970	0.3
611.43768	32.6
612.44061	0.8
639.43140	15.9
640.43500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01873	5.2
55.05511	19.5
57.03439	10.0
57.07075	0.7
59.05000	1.2
65.03928	1.3
67.05506	24.3
69.03426	12.7
69.07071	5.9
70.11473	1.3
70.11864	1.3
71.01353	0.8
71.04991	6.1
71.37283	0.5
73.02930	0.6
77.03942	0.7
79.05495	23.8
81.03419	100.0
81.07056	26.4
83.04985	21.0
83.05370	0.4
83.08621	21.0
85.02908	21.5
85.06535	2.4
87.04471	0.6
91.05482	31.7
93.07041	16.7
95.04969	27.0
95.08044	1.1
95.08607	10.3
97.02898	14.0
97.06529	6.1
97.10164	5.0
99.04453	5.1
99.08109	1.3
100.95045	0.6
103.05504	0.7
105.04532	0.9
105.07033	21.5
107.04955	8.2
107.08597	9.8
109.02885	15.0
109.03590	1.1
109.06531	5.3
109.10152	3.4
111.04449	12.8
111.08083	11.1
113.06017	2.5
113.66450	0.6
115.05469	1.8
117.07008	3.6
119.04958	1.6
119.08588	17.5
121.06494	4.5
121.10133	9.5
123.04439	1.7
123.08058	3.2
123.11716	2.6
125.06010	0.9
125.09638	3.3
125.16980	0.5
127.03905	7.5
128.06197	0.6
129.05479	2.0
129.06996	11.5
131.04955	1.6
131.08574	12.4
133.06522	3.9
133.10139	8.3
135.04388	1.1
135.08093	1.5
135.11707	3.5
137.05988	0.8
137.09644	1.8
137.13258	0.8
141.07057	0.8
142.07803	3.0
143.08551	1.2
145.05003	0.7
145.06531	1.4
145.10130	4.0
147.04440	2.2
147.08057	4.2
147.11691	17.0
149.05977	1.3
149.09607	5.7
149.13374	0.6
151.11166	0.8
153.07025	0.6
153.12766	2.4
155.08575	1.5
157.06487	0.7
157.10133	13.5
158.10539	0.7
159.08101	1.0
159.11792	0.9
163.11168	4.8
165.12732	4.4
167.07100	0.9
167.08496	0.7
171.08125	1.1
173.04495	1.6
173.05870	0.6
173.09654	1.6
175.11188	13.5
177.12737	0.8
181.12286	3.8
183.06601	0.9
189.05421	1.3
189.11226	1.3
189.12822	1.0
191.10692	2.7
193.12248	41.5
195.11897	0.5
199.11243	0.9
205.12276	0.7
209.11658	1.1
211.13293	61.4
212.13710	0.6
213.12766	0.8
227.12718	5.2
227.14639	0.6
229.14401	1.9
235.13376	1.9
243.13667	0.6
249.14856	1.2
253.14725	0.7
255.13982	1.4
267.09106	0.8
267.15900	25.6
273.14755	2.6
277.14322	1.4
283.12799	0.7
283.15573	2.6
285.10144	1.6
285.16974	14.1
289.14590	0.9
301.07178	0.6
301.14169	4.5
309.17004	1.4
313.16373	0.9
319.15466	2.4
324.11685	1.0
337.16501	3.6
339.23254	0.7
349.21811	0.8
355.17535	6.7
367.22668	2.2
375.18082	2.0
385.23859	3.3
393.19064	4.1
403.24823	1.7
411.20102	6.3
429.21231	5.1
438.18350	1.1
438.68469	0.6
459.27417	11.3
477.28543	15.5
495.29510	15.9
495.36557	1.1
501.28415	1.0
511.28952	1.1
519.29614	1.7
561.30664	1.8
565.30084	0.6
567.29980	0.8
573.30853	2.2
585.30933	3.9
603.31683	4.8
621.32648	15.2
622.33191	0.7
639.33716	53.6
640.34076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.4
55.01874	5.0
55.05267	1.6
55.05513	18.2
56.96562	1.1
57.03445	9.5
59.05006	1.1
65.03950	2.1
67.05505	26.6
69.03425	15.3
69.07063	7.7
70.53541	3.0
71.01344	1.1
71.04997	5.9
73.02911	1.9
79.05497	26.8
81.03421	100.0
81.07059	31.4
83.04981	19.8
83.08626	24.4
85.02911	20.5
85.06550	2.2
91.05486	35.8
93.07051	20.3
95.04971	29.8
95.08624	10.1
95.66861	0.9
97.02893	13.2
97.06532	7.0
97.10184	7.7
99.04457	4.1
99.08110	1.4
103.05460	1.0
105.03410	1.1
105.07039	22.4
105.07702	0.8
107.04951	11.5
107.08602	12.8
109.02882	16.4
109.06516	6.2
109.10178	5.0
111.04441	12.6
111.08073	10.3
113.06026	1.7
115.05488	1.2
117.07042	3.5
119.04948	0.8
119.08584	19.8
121.06533	4.2
121.10155	11.8
123.04435	3.3
123.08083	3.4
123.11720	2.5
125.08854	0.9
125.09609	4.9
127.03906	7.7
129.05518	1.5
129.07014	12.5
131.04935	2.4
131.08566	13.3
133.06490	3.8
133.10141	8.8
135.08063	2.1
135.11623	4.4
137.06017	2.0
137.09639	2.8
139.03944	1.6
142.07776	2.1
143.08594	2.1
145.06538	1.7
145.10147	5.4
147.04449	2.4
147.08064	3.8
147.11699	17.1
149.06017	1.8
149.09644	6.3
149.13293	1.1
151.11162	1.0
153.09103	1.1
153.12752	3.3
155.08591	1.4
157.10124	15.5
159.11749	1.2
161.05992	1.1
161.09784	1.1
163.11197	8.0
165.12726	4.8
171.11772	1.0
173.04495	2.6
173.09650	1.7
175.11192	14.3
181.12297	2.7
189.05583	1.3
189.11221	2.2
189.12804	1.1
191.10701	3.1
193.12251	46.3
209.11623	2.0
211.13293	60.8
212.13573	1.1
213.14569	1.0
227.12744	5.6
229.14442	2.9
235.13313	2.2
249.14873	2.8
259.13391	1.3
267.09030	1.2
267.15927	25.3
271.06116	1.1
273.14941	2.5
277.14432	0.9
283.15323	1.7
285.10193	1.3
285.16962	15.0
301.14127	4.9
303.15860	1.0
309.17126	1.7
319.15518	2.6
337.16489	4.3
355.17642	6.2
367.22736	2.5
375.18066	2.1
385.23929	4.0
393.19165	4.2
403.24750	2.2
411.20032	7.1
423.27225	1.0
429.21246	3.9
449.28873	1.1
459.27411	13.3
477.28500	18.5
495.29556	19.8
511.29044	1.1
519.30084	1.2
543.29321	1.0
561.30695	1.6
567.29169	1.0
573.30157	1.8
585.30811	5.2
603.31482	5.1
621.32684	14.9
639.24481	2.9
639.33716	52.2
640.33795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.47031	0.5
52.10910	0.5
55.05519	0.7
59.22866	0.6
67.05511	1.3
69.07069	0.6
71.36746	0.9
73.18616	0.4
74.55322	0.5
79.05489	0.7
81.03422	0.6
81.07070	1.0
91.05511	1.3
93.07053	1.1
95.08604	1.2
105.07044	0.9
107.08609	1.1
107.44198	0.5
131.08566	0.5
155.27716	0.5
159.11717	0.6
180.25963	0.5
267.25336	0.5
304.24426	0.5
316.66086	0.6
377.17813	0.6
382.73166	0.7
391.19427	1.7
392.19998	0.9
393.20956	1.3
405.17111	1.9
405.21500	1.0
406.17706	0.7
407.22726	3.9
418.17703	1.1
419.18384	3.9
420.19235	1.2
421.20657	3.2
422.21472	0.6
433.20404	9.0
434.21350	3.0
435.22098	5.9
447.17380	1.1
447.22742	1.0
449.19586	4.9
450.20413	0.7
462.20712	0.6
463.21542	2.5
464.22214	1.5
465.22968	1.7
479.20551	1.0
491.20892	1.5
492.21341	3.9
493.22189	3.7
505.22733	1.4
507.24115	0.8
519.24390	0.9
520.24835	0.9
521.25745	8.0
523.27124	0.9
535.23352	0.8
537.21606	1.0
551.26459	1.6
553.29968	0.6
565.24365	1.1
579.26062	19.7
580.26355	1.5
581.27429	2.8
597.27148	2.2
607.25433	2.5
611.29041	0.7
621.27576	1.1
639.28229	100.0
639.40436	12.6
640.28571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69600	1.6
53.03958	8.6
55.01873	4.4
55.05269	2.4
55.05517	32.5
56.96563	3.5
57.03432	5.6
57.07075	6.2
59.04990	1.7
61.02907	2.3
65.03952	2.3
67.05180	2.8
67.05512	42.2
69.03427	21.6
69.07075	43.4
71.04982	9.9
71.19709	1.8
71.54610	3.4
73.02924	2.6
73.06554	1.9
79.05501	23.8
80.00103	1.4
81.03426	49.6
81.07061	100.0
83.04989	15.2
83.08620	13.4
85.02908	15.7
85.06541	10.7
86.09731	1.6
91.05490	26.3
93.06475	3.5
93.07047	49.5
95.04979	16.0
95.08614	71.6
97.02901	11.7
97.06535	12.2
97.10182	27.5
99.04470	5.5
99.08077	4.7
99.24589	1.5
103.05489	1.7
105.03407	12.6
105.07028	28.1
107.04948	15.1
107.08598	45.5
109.02883	22.5
109.06528	7.4
109.10164	36.7
111.04442	7.8
111.08088	15.9
111.11741	7.2
117.07027	7.6
119.04958	4.2
119.08592	24.8
121.06529	5.0
121.10154	38.5
123.04445	5.0
123.08096	6.5
123.11715	41.3
125.05944	2.2
125.09639	6.6
127.03931	18.7
129.05507	1.9
129.07022	7.4
131.04895	2.2
131.08582	13.1
133.06479	3.0
133.10124	18.8
135.04680	2.3
135.08092	5.4
135.11711	27.1
137.05983	4.1
137.09633	7.0
137.13263	17.2
139.03943	2.0
139.11205	13.1
141.12724	2.4
143.08571	4.8
143.10675	2.7
145.05028	2.9
145.06445	3.0
145.10155	14.4
147.04417	9.5
147.08073	5.3
147.11694	22.0
149.06030	2.0
149.09651	6.9
149.13271	26.2
151.07591	3.2
151.11180	4.7
151.14810	3.2
153.01768	1.6
153.05823	2.6
153.12747	6.3
155.08563	2.3
155.14326	1.5
157.10173	7.6
157.12270	6.9
159.08083	4.9
159.11714	11.2
161.06061	2.4
161.09653	3.6
161.13268	8.1
162.74074	1.7
163.03935	1.7
163.11238	11.6
163.14850	4.9
165.05544	1.7
165.09123	3.7
165.12779	5.2
167.07060	2.4
167.14316	2.1
169.10130	2.6
169.12253	2.5
171.11693	3.2
173.04483	2.4
173.09631	4.4
173.13275	5.1
175.11209	4.1
175.14838	6.4
177.09157	2.7
177.12781	4.0
177.16414	3.1
179.14203	2.4
181.12308	3.3
183.11699	2.8
185.09669	4.2
185.13261	3.3
187.11281	2.9
187.13303	6.8
187.14821	3.4
189.05379	2.6
189.09076	2.9
189.12749	2.4
189.16391	3.6
191.10693	5.5
191.14430	2.0
193.12280	6.8
195.13789	2.6
201.16446	2.4
203.10722	2.6
203.12695	3.5
203.18027	2.9
205.15874	2.4
209.11725	3.4
211.11511	1.8
211.13313	7.4
213.12888	2.9
215.14444	2.6
227.12820	4.3
229.14337	2.9
235.16956	2.5
243.14050	1.9
267.08957	3.2
267.15906	3.3
271.06046	19.8
273.14816	2.6
275.23773	7.6
277.25302	4.0
283.15430	2.8
285.17139	3.0
285.22333	1.9
287.05444	3.2
287.23703	5.4
289.25262	2.4
293.24765	7.2
295.15851	5.1
303.23215	18.2
305.24780	18.2
309.24280	2.2
313.16580	10.2
321.24289	5.4
323.25717	9.2
333.24384	2.0
337.16901	6.1
347.25778	2.2
364.16531	2.0
365.26697	1.7
371.26071	2.0
383.21930	3.4
383.26413	2.7
385.27560	2.3
395.25726	2.3
401.26953	5.9
413.26871	6.7
419.27902	7.0
429.26312	4.6
431.27960	15.6
437.28897	9.9
447.27502	3.9
449.29016	25.2
455.30212	8.8
457.19406	2.2
465.28293	9.6
467.30020	21.5
473.31274	2.6
475.26855	7.9
485.31119	6.7
493.27875	2.1
503.32184	2.6
543.23114	1.7
577.22870	3.0
619.30664	3.3
637.32275	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.41621	0.7
90.69880	0.6
93.07036	1.0
209.10840	0.8
230.40543	0.8
315.29898	0.8
326.16238	0.9
377.17822	2.0
378.18674	1.0
389.18134	1.1
390.18604	1.5
391.19238	6.1
392.19714	2.2
393.20789	1.4
403.19434	2.0
404.20096	2.7
405.20786	9.7
406.21548	4.9
407.22360	14.0
418.21735	1.3
419.22592	5.1
420.23123	5.4
421.23874	20.4
422.18024	1.3
422.24677	4.1
431.22894	1.0
433.23792	2.8
434.24667	3.1
435.18396	1.7
435.25311	0.9
436.19009	1.5
445.20300	1.5
447.21234	1.3
449.19669	2.3
449.27307	1.1
450.20438	2.2
451.21265	15.3
452.21994	4.4
460.22711	1.0
461.23514	2.1
463.21487	1.7
464.21994	1.5
465.22946	24.3
466.23480	2.3
473.19998	2.2
475.21506	2.2
477.23090	2.3
478.23322	1.0
479.24408	1.5
487.21365	2.6
488.22076	1.1
491.20667	2.4
492.20816	1.0
493.26132	2.3
501.22852	2.2
502.24225	1.1
503.24506	15.8
504.24817	1.0
505.22031	1.0
507.27740	13.6
508.28381	3.2
519.24017	1.3
523.23407	3.6
533.25391	2.4
534.23004	1.0
535.27039	19.5
537.25104	10.4
551.26678	8.3
552.27338	18.1
561.24634	4.9
579.25745	9.0
580.26648	2.5
595.29340	6.2
607.25861	1.0
621.27063	17.2
639.28131	100.0
640.28394	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
56.97832	0.2
67.05512	0.7
68.08079	0.2
69.07085	0.2
71.68462	0.2
79.05507	0.4
81.07063	0.4
87.37186	0.2
89.17650	0.2
89.18201	0.3
90.51502	0.3
91.05473	0.2
93.07048	0.5
95.04967	0.3
95.08656	0.3
105.07050	0.3
121.85105	0.2
122.09679	0.3
165.95177	0.2
172.03925	0.4
183.09329	0.2
204.06549	0.4
211.08684	0.2
211.12280	0.3
216.47058	0.2
223.08646	0.2
225.10312	0.5
225.80240	0.2
237.10207	0.4
239.11757	0.4
240.12587	0.3
241.13379	0.3
251.11842	0.4
302.13022	0.3
302.16949	0.2
314.12866	0.5
326.13046	0.4
328.14618	0.3
340.14410	0.3
342.16141	0.4
356.17847	0.3
365.17529	0.3
366.15891	0.3
391.15512	0.5
392.16364	0.7
393.17068	1.0
393.21494	0.5
403.15442	0.2
405.17355	0.9
406.17935	0.8
407.18588	2.1
408.19183	0.3
417.17154	0.4
419.14297	0.5
419.19299	1.0
420.15366	0.6
420.20184	0.6
421.20514	5.0
422.21118	1.6
423.21872	0.6
431.19241	0.4
432.19745	0.5
433.16132	0.7
433.20450	1.2
434.16541	1.3
434.22424	0.4
435.17221	2.0
435.22528	0.9
436.22989	2.4
445.16684	0.7
447.17245	0.5
447.22009	1.3
448.18823	2.3
449.19662	8.9
450.20474	2.8
451.21356	0.7
459.17468	0.5
460.19507	0.5
461.19904	1.3
462.20544	0.7
463.21710	4.7
464.22226	5.0
465.23187	1.3
473.19592	0.8
474.20685	0.8
475.21414	2.0
476.18625	0.4
477.18912	5.3
478.19800	1.9
479.20871	1.0
491.21014	0.8
492.21420	0.5
493.22543	1.1
495.24280	0.5
503.21085	0.3
505.22168	0.8
507.23642	1.0
509.25574	0.6
519.20184	0.2
519.22455	0.2
521.22162	0.8
523.23145	2.6
533.21356	1.0
535.23511	3.3
536.24359	1.3
537.21637	1.0
547.23621	0.6
549.21625	0.6
550.25989	0.8
551.26752	2.9
561.25134	3.5
564.23608	4.4
565.24310	2.2
567.25720	0.4
579.26117	6.5
581.23260	0.5
592.23767	0.4
593.27576	0.3
595.25708	2.9
596.26074	1.1
597.26849	0.4
607.25507	0.7
610.27637	1.0
611.28833	0.3
621.27112	3.5
624.25806	4.9
639.28131	100.0
640.28259	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22559	0.7
52.39538	0.8
53.03932	2.7
55.01861	2.8
55.05519	4.7
56.96552	1.0
57.03439	16.1
57.07079	25.5
61.02929	48.4
67.05506	9.4
69.03429	22.9
69.07060	6.0
69.59480	1.3
69.59894	3.0
71.01385	1.5
71.04984	3.1
71.08635	17.5
73.02917	20.9
75.04475	1.4
79.05478	2.1
81.03420	16.5
81.07059	12.2
83.04987	1.8
83.08620	9.2
85.02909	65.5
85.06534	1.4
85.10180	10.8
87.04462	1.6
89.06035	1.3
91.03959	34.8
91.05487	1.7
93.07009	1.3
95.04937	0.9
95.08614	17.0
97.02896	50.1
97.10170	3.8
98.97586	0.9
99.04459	10.1
101.02358	4.4
103.03938	8.4
103.07535	0.8
105.07006	1.4
107.04963	1.3
107.08597	1.0
109.02882	10.8
109.10159	7.1
111.04446	1.2
115.03942	5.3
116.34354	0.7
117.05499	2.8
123.11710	3.0
127.03922	23.7
129.05493	4.1
135.11696	1.3
136.16710	0.8
137.13278	1.3
145.04959	14.3
146.89975	0.8
149.02313	1.6
151.14708	0.7
155.06947	1.2
159.06505	2.2
163.06023	3.8
171.06557	1.0
183.06537	9.7
184.04362	1.8
193.04918	1.0
201.07590	7.5
219.08594	1.7
220.32370	0.9
221.22530	1.3
239.23708	18.8
257.24741	2.2
308.04492	1.0
313.27377	100.0
314.27841	1.1
341.26883	2.8
347.17184	1.1
347.67419	2.4
348.17419	3.1
348.67496	2.6
349.16736	4.0
355.28470	4.7
368.68857	1.1
373.41980	0.8
383.27820	2.2
385.29440	2.3
397.29550	2.1
421.29285	1.7
439.30457	3.7
457.31561	14.0
475.32257	2.7
596.10492	2.9
596.60724	1.6
611.12970	0.9
637.26239	1.4
637.37781	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	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22523	6.6
69.42947	0.7
70.25193	0.6
71.00213	0.7
78.13269	0.6
89.60960	0.7
97.90612	0.6
109.06580	0.8
157.38971	0.7
209.10747	0.9
221.10762	0.9
223.08675	0.8
223.12354	1.7
224.13208	1.3
225.13875	0.9
237.13875	1.4
300.30731	0.7
311.14117	0.8
338.13043	0.7
343.93903	0.7
405.20932	1.2
417.16595	0.9
418.17935	1.1
419.18811	1.3
420.23251	1.0
431.18414	1.1
432.19397	1.4
433.20349	1.7
435.94229	0.8
446.17593	0.9
447.22272	1.4
448.22574	1.0
459.22388	3.2
461.19794	2.5
473.19980	0.9
474.20810	1.0
475.20895	3.4
476.22104	8.7
489.23111	1.5
521.22156	1.2
533.22491	0.7
535.24524	0.8
545.25836	1.4
547.23401	2.4
549.25317	1.0
562.25903	8.9
563.26501	4.1
577.28027	5.1
579.27057	0.9
605.27460	1.0
622.27875	2.5
637.30255	100.0
638.30560	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	637.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
53.64842	2.1
55.01878	14.5
55.05512	25.1
56.96560	3.5
57.03441	9.8
58.80980	1.7
59.04978	2.4
61.02923	2.2
64.93983	1.8
65.03940	2.2
67.05186	2.8
67.05509	36.8
69.03434	23.0
69.07074	10.6
70.15076	3.8
70.15462	6.0
71.01354	2.6
71.04986	10.6
73.02907	2.7
79.05496	37.4
81.03420	100.0
81.07059	45.1
82.03730	1.8
83.01345	4.0
83.04977	24.9
83.08620	23.4
85.02505	1.8
85.02911	19.5
85.06531	4.6
91.05482	38.6
93.07043	41.4
95.04980	27.1
95.08605	18.0
97.02377	2.1
97.02895	21.2
97.06525	10.3
97.10156	10.4
99.04436	7.7
103.05401	2.4
105.03378	3.5
105.07032	27.5
107.04990	16.4
107.08595	27.7
107.49187	2.1
109.02890	22.5
109.06525	10.9
109.10166	13.1
110.10485	2.5
111.04467	16.8
111.08081	11.4
115.03934	2.4
115.05452	3.4
117.07034	8.9
119.04955	2.8
119.08574	25.2
121.06477	5.0
121.10135	17.2
123.04449	4.7
123.08054	7.0
123.11675	5.1
125.02388	2.4
125.05936	3.6
125.09632	7.4
127.03922	15.5
129.06984	10.7
131.04903	5.7
131.08594	12.3
133.06462	4.8
133.10161	13.4
135.04385	2.5
135.08032	2.5
135.11697	15.9
137.05971	3.2
137.09604	3.1
143.08549	3.4
145.06462	2.9
145.10121	15.6
147.04390	9.2
147.08003	5.6
147.11697	12.9
149.06027	2.5
149.09607	6.5
149.13277	3.2
153.12726	12.0
155.08560	2.9
157.10104	9.2
159.07991	2.8
159.11703	2.6
161.05965	2.6
163.03822	2.8
163.11192	23.0
165.12784	3.1
173.04520	3.6
173.09615	6.7
175.11174	8.6
177.12740	2.7
177.24335	1.9
181.12164	7.8
187.11185	2.5
191.10582	8.9
193.12270	30.2
209.11688	5.6
211.13271	39.0
227.12726	15.1
229.14235	3.4
258.71225	2.2
265.14322	5.1
267.09076	5.4
267.15854	10.0
273.14789	3.8
283.15451	15.3
285.10049	6.1
285.16852	3.4
289.14243	2.4
294.47885	2.2
301.14108	4.1
313.21768	2.0
337.16336	4.8
353.15854	4.4
355.17288	6.4
356.14697	3.1
375.18192	2.6
383.21954	5.4
391.17166	2.4
409.18713	4.1
411.20023	4.4
439.26352	2.4
440.27209	7.1
445.20370	2.5
457.25726	6.1
475.26837	16.2
493.28006	19.2
601.29694	3.0
601.43274	2.1
619.31152	12.4
637.32056	90.0
662.12054	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97680	0.3
65.49334	0.3
69.07059	0.3
69.47192	1.9
69.47606	0.5
75.04350	0.3
109.10205	0.4
137.44342	0.3
143.70969	0.2
182.95580	0.3
221.10771	0.3
279.77969	0.3
331.90472	0.3
388.17160	0.3
401.17764	0.8
402.18643	0.8
403.19479	1.4
404.20081	0.7
405.20975	0.6
414.19208	0.4
415.19803	1.7
416.20181	0.8
417.16394	0.7
417.21603	1.8
419.22641	1.4
420.23376	0.5
428.16068	0.4
429.16687	0.5
429.21579	0.6
430.17490	1.9
431.17981	2.9
432.18500	0.5
432.23199	1.3
433.20224	1.1
435.22086	0.6
443.18323	2.2
444.18924	2.5
445.20099	8.8
446.21375	2.3
447.22275	1.3
457.20380	1.0
458.21030	8.6
459.21732	6.1
459.27222	0.4
460.22928	5.9
461.19437	3.6
462.20764	0.6
465.35815	1.2
471.21811	1.1
472.22467	0.4
473.23526	0.8
475.21320	1.7
476.22122	1.5
477.22897	2.7
486.24750	0.5
489.23486	0.7
490.23865	0.5
491.24466	1.6
503.21274	0.4
504.24963	1.0
505.21799	1.3
517.22565	1.1
518.23077	5.6
519.23730	0.5
530.23297	0.4
531.23999	1.1
533.25739	3.4
535.23273	1.8
545.25525	2.4
546.26190	2.2
547.26563	0.6
549.25159	0.9
560.24054	0.5
562.26062	0.7
563.26324	0.6
573.24878	1.2
577.28558	2.7
590.25183	0.5
592.26593	1.0
605.27618	14.5
606.28625	0.8
637.30237	100.0
638.30823	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Chloramultilide D
Peak:m/z	Relative Intensity
55.05519	1.0
67.05505	1.0
67.89731	0.5
69.07060	0.9
71.17340	0.9
71.17670	0.7
81.07029	1.1
86.83391	0.6
95.08621	0.7
109.10109	0.6
124.42146	0.5
202.77576	0.5
249.10204	0.7
255.00441	0.5
309.12329	0.6
363.16251	0.9
377.17950	1.4
378.18726	0.8
386.15475	0.8
387.16571	0.7
388.17902	1.0
389.17996	0.8
390.18695	1.0
391.19199	2.2
392.19983	1.6
393.20694	2.4
399.16132	2.3
400.16983	1.4
401.17590	3.5
405.16467	0.8
405.20929	1.7
406.21552	0.8
407.22540	5.0
413.17734	1.9
414.18335	2.0
415.19357	6.1
416.19620	0.8
417.21301	0.9
419.18344	0.8
419.23007	0.8
421.20230	3.9
427.19629	1.2
428.20187	2.2
429.21292	5.3
430.21667	1.0
431.18842	0.9
433.20432	1.1
435.21576	4.1
436.22824	1.1
441.17657	0.9
442.17807	1.3
443.18372	2.2
443.22842	1.9
444.18567	2.7
445.20447	2.6
447.18307	2.5
455.19034	0.8
456.19391	1.0
457.20715	3.4
458.21121	2.1
459.17636	1.0
461.19547	1.5
463.21176	0.9
471.22583	3.7
472.23254	2.8
473.19547	3.0
474.20660	1.4
475.16916	0.7
475.21832	1.0
485.19815	2.3
486.20355	4.2
487.21252	2.1
489.19116	1.8
489.24329	1.1
490.19498	2.9
491.21057	0.8
499.21490	7.0
500.22083	2.6
501.23465	0.9
502.20013	1.6
503.24521	1.9
513.19275	4.3
514.20197	1.4
516.21509	1.6
517.22430	11.4
519.20251	1.2
521.25629	1.4
527.20905	2.5
528.21216	1.2
529.22534	1.7
531.24426	9.0
543.24188	0.7
545.22028	0.7
549.24951	5.5
559.23431	50.9
560.23505	0.7
577.24506	2.2
587.22937	9.7
591.26257	3.9
605.23718	6.1
609.27234	0.9
619.25507	57.5
620.25543	1.0
637.26575	100.0
638.26764	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31073	0.7
71.41466	0.9
130.74327	0.7
196.47565	0.6
349.41846	0.8
391.19193	1.9
392.20108	1.2
399.16153	1.1
400.16528	1.1
401.17676	1.8
402.18961	0.7
403.19611	1.2
404.20605	1.2
405.20911	3.9
406.21567	5.0
407.22357	0.8
413.17725	1.3
414.18558	2.0
415.19360	3.0
416.20612	0.9
417.20987	0.9
419.22705	1.2
420.23047	4.9
421.23840	8.0
427.19479	1.4
428.20190	2.3
429.20850	11.0
430.21759	2.2
431.23392	1.2
433.19833	0.9
433.24582	1.2
434.25110	1.4
442.21695	1.2
443.22610	7.8
444.23145	4.2
445.20349	3.6
446.21078	1.1
447.17923	2.0
456.19678	1.4
457.19092	0.9
457.23990	3.0
458.24918	5.4
459.21622	7.1
460.22842	4.1
461.19363	6.9
462.20932	1.1
470.21402	1.4
472.22635	5.1
473.19189	1.7
473.24478	1.2
475.20917	3.3
476.22235	5.7
477.26898	0.8
485.23563	10.3
486.24475	2.7
487.21619	2.0
488.22308	4.9
489.22824	0.9
493.22534	0.9
499.21869	1.0
500.21893	1.5
502.24179	1.0
503.24484	17.1
505.21729	0.9
507.27911	0.8
513.22998	3.6
514.23602	1.4
517.25958	6.1
529.26172	1.7
535.27185	21.0
545.25500	64.4
546.25916	1.5
563.26440	5.5
573.24969	15.8
577.28156	2.0
578.28656	2.5
605.27588	57.3
606.27002	1.1
637.30243	100.0
638.30206	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12357	0.2
53.03938	0.3
55.01864	0.3
55.05511	1.3
56.96561	0.4
57.03437	0.2
60.98700	0.2
65.03938	0.2
67.05510	1.7
69.03421	0.8
69.07059	0.7
69.96482	0.7
74.43500	0.2
79.05497	1.1
81.03422	1.3
81.07059	2.8
83.04990	0.4
83.08620	0.6
85.02904	1.2
85.06546	0.3
91.05475	1.7
92.53974	0.2
93.07040	1.3
95.04949	1.0
95.08605	1.7
97.02916	0.9
97.06525	0.6
97.10169	0.8
98.97603	0.3
99.04411	0.2
99.08061	0.2
103.05457	0.4
105.03391	1.0
105.07033	1.3
107.04964	1.1
107.08609	1.4
109.02877	0.7
109.06542	0.3
109.10158	0.8
111.04420	0.3
111.08102	0.4
117.06992	0.2
119.04926	0.4
119.08569	1.0
121.06545	0.4
121.10141	0.9
123.04427	0.6
123.08093	0.3
123.11733	0.6
125.09632	0.5
127.03922	0.7
131.04938	0.6
131.08583	0.5
133.06491	0.2
133.10161	0.8
135.11719	0.7
137.05975	0.5
139.03854	0.3
143.10680	0.3
145.06558	0.2
145.10115	0.7
147.04376	1.1
147.11713	0.5
149.09663	0.3
149.13272	0.5
151.07545	0.6
151.11157	0.3
153.12724	0.3
157.10120	0.3
159.11659	0.4
161.09645	0.3
161.13322	0.3
163.03947	0.3
163.11186	0.4
165.09116	0.4
165.12779	0.2
167.07071	1.0
173.06015	0.4
173.09625	0.3
173.13263	0.3
173.98895	0.2
175.11211	0.3
177.05415	0.3
189.05354	0.3
191.10701	1.1
204.03963	0.4
209.08113	0.6
267.08780	0.3
271.05994	4.4
271.08789	0.3
285.10352	0.2
305.25107	0.2
353.15875	0.3
395.11154	0.8
410.13556	1.6
423.26648	0.2
425.12125	2.6
431.28189	0.2
434.55038	0.2
440.14441	5.1
441.14966	0.3
447.38708	0.2
475.27100	1.0
481.17157	0.4
500.11301	0.2
589.20172	0.4
601.30200	0.3
637.22559	100.0
638.22742	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.08570	0.6
55.50396	0.6
56.96568	0.7
58.53014	0.5
63.56454	0.5
65.04353	0.6
67.05512	1.1
69.07056	0.7
71.55268	1.0
77.56105	0.5
79.05492	0.8
84.96040	0.8
91.05473	1.0
93.07018	0.8
95.08636	0.8
98.97587	0.7
103.49355	0.6
117.07049	0.6
194.07472	0.6
282.98080	1.1
283.38370	0.6
314.64420	0.7
389.17865	2.1
401.17859	1.6
402.18701	0.9
403.19360	2.0
404.19934	0.8
405.21222	0.8
415.15378	0.7
416.20374	0.9
417.16925	1.9
417.21344	1.5
418.21817	0.8
419.22427	2.0
429.16785	1.0
431.18073	2.7
443.18903	0.9
445.20218	3.8
446.21219	2.3
447.21918	2.5
449.20294	0.8
457.16162	0.7
459.21683	1.7
461.16223	1.9
463.21667	3.0
475.17444	1.7
476.18567	1.4
477.19421	1.8
489.19266	2.5
490.19977	7.6
491.20532	9.3
503.20584	3.1
504.21161	0.9
517.22510	1.9
533.25568	6.5
535.20197	0.9
545.22131	1.1
549.24573	2.1
559.23505	0.7
577.24451	25.1
593.27612	1.0
596.24847	4.2
636.41241	1.5
637.26593	100.0
637.41321	3.0
638.26917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44224	0.4
60.86265	0.3
63.17280	0.3
66.07947	0.4
69.95521	0.4
70.65307	1.1
75.11560	0.3
77.06578	0.4
91.62158	0.3
101.07359	0.4
101.08047	0.4
175.89801	0.4
196.10043	0.4
201.13475	0.4
209.10786	0.5
221.10733	0.6
233.10732	0.4
237.10182	0.4
247.12375	0.5
272.12064	0.4
374.16730	0.5
377.17682	0.8
378.18494	0.7
385.14856	0.7
386.15430	0.9
387.16211	1.1
388.17563	0.6
390.18655	0.5
391.19022	1.2
392.20050	1.0
393.20825	2.2
398.16232	0.6
399.16238	2.2
400.16995	3.0
401.17676	2.9
402.18561	0.8
403.19400	0.7
405.20792	0.9
406.21515	0.7
407.22342	3.1
411.16486	0.6
412.17877	0.7
413.17590	2.4
414.18729	3.9
415.19403	7.1
416.19907	1.3
417.21310	0.9
419.18277	0.8
421.19876	1.8
425.17783	0.9
426.19467	0.4
427.19937	1.7
428.20624	3.3
429.21268	7.1
430.21552	1.7
435.21860	2.1
436.22437	0.6
437.17673	0.5
439.19162	0.9
441.16937	1.8
442.17862	1.6
443.17957	2.4
443.22415	4.8
444.18823	3.7
445.20258	1.6
447.17987	0.9
456.19501	1.5
457.20471	5.3
458.21201	3.6
459.17603	0.6
459.22696	0.6
461.19601	1.0
462.20901	0.6
469.16504	1.1
470.17374	0.5
471.22284	6.0
472.23126	4.6
473.19565	4.2
474.20746	1.0
475.17154	0.6
476.18622	0.5
484.18781	0.8
485.19992	2.4
486.20456	5.9
487.21432	2.3
488.22043	1.0
489.23550	0.9
490.19867	2.2
491.20526	0.8
499.21326	9.7
500.22885	2.1
501.22827	0.5
503.24844	3.5
513.19513	1.2
514.20380	0.7
516.21466	1.0
517.22211	3.2
521.25702	0.6
527.20929	2.2
528.21600	0.7
531.23950	11.1
541.21320	0.5
543.23645	1.5
544.20862	0.5
545.22156	0.5
549.25043	1.1
559.23431	78.2
560.23608	2.0
587.22882	13.0
593.21069	0.4
605.23901	0.8
619.25519	100.0
620.25385	2.1
637.26654	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	636.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01860	1.7
55.05513	13.8
55.47514	0.9
56.81579	0.9
56.96556	1.1
57.03197	0.9
57.03439	12.8
57.07055	1.1
59.05007	3.7
61.02925	5.0
65.03930	1.8
67.05507	72.1
69.03433	5.8
69.07066	6.7
69.48032	1.3
69.48445	4.4
71.04990	4.2
72.08139	1.3
73.02911	1.7
74.09628	0.8
79.05058	1.2
79.05494	13.9
81.03419	36.5
81.06586	1.5
81.07056	29.1
82.07349	1.3
83.04983	11.6
83.08147	1.3
83.08620	18.6
85.02906	20.4
85.06539	3.9
87.04440	0.9
91.03944	2.7
91.05485	20.8
92.05804	1.0
93.06477	1.3
93.07043	16.5
94.07347	0.9
95.04961	15.7
95.08615	12.5
96.08924	1.2
96.28907	0.8
96.77599	0.8
97.02889	5.9
97.06512	3.6
97.10174	4.7
98.10477	0.8
99.04455	1.4
99.08081	1.5
105.03413	1.0
105.06390	1.3
105.07035	14.4
107.04959	4.5
107.08583	7.8
108.91445	0.8
109.02862	2.4
109.06512	2.5
109.10159	63.7
111.04429	1.3
111.08087	10.5
113.05973	2.8
117.06989	1.6
119.04933	1.3
119.08584	15.3
120.01250	0.8
120.08875	1.1
121.06516	2.0
121.10162	8.5
123.08070	1.9
123.11688	3.0
125.09626	2.1
125.58749	0.8
127.03918	2.3
129.07011	7.1
131.08592	7.4
133.06473	1.7
133.10138	8.8
134.31021	0.9
135.11673	2.1
137.09608	4.9
139.11179	0.7
141.07048	0.8
142.07823	1.7
143.08441	0.8
145.05055	0.8
145.06314	0.9
145.10120	2.1
147.04405	4.6
147.08020	3.0
147.11684	9.2
149.09607	3.7
149.13220	1.2
155.10643	5.1
157.10156	8.9
159.11737	1.3
161.09561	1.2
163.11179	1.0
165.12738	2.4
173.11742	16.5
173.13170	1.6
175.11191	10.1
175.14975	1.0
181.13715	0.8
193.12242	26.8
211.13303	36.0
229.14362	56.5
267.15915	13.2
271.05984	2.6
285.16968	28.5
287.05536	2.1
403.24838	1.4
421.25845	18.6
439.26913	100.0
440.27234	1.2
448.27817	1.9
466.28674	1.4
583.30524	1.6
636.35168	1.1
648.97205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01874	1.6
55.05515	8.7
56.96566	0.6
57.03440	9.8
57.07070	0.8
59.05011	3.3
61.02928	4.2
65.03950	1.6
65.57527	0.5
67.05507	63.4
67.83206	0.4
69.03427	4.2
69.07060	4.9
70.15818	2.0
71.05001	4.6
72.08161	0.8
73.02923	0.6
79.05497	10.8
81.03422	32.4
81.06586	1.1
81.07062	18.8
83.04981	7.4
83.08622	14.1
85.02910	13.0
85.06555	3.4
87.04467	0.6
91.03965	1.7
91.05482	17.9
93.07049	10.1
95.04967	13.9
95.08611	8.8
97.02885	5.0
97.06529	2.4
97.10158	2.6
99.04436	0.7
99.08099	1.1
101.06026	0.6
103.03936	0.6
105.03406	1.4
105.07037	10.3
107.04942	3.2
107.08596	5.8
109.02882	0.9
109.06519	2.8
109.10161	57.4
111.04436	1.7
111.08090	7.8
113.06008	1.2
115.05435	0.6
117.07064	0.9
119.04974	0.9
119.08591	13.3
121.06509	1.1
121.10155	4.7
123.04413	0.7
123.08070	1.3
123.11729	1.5
124.03942	0.7
125.09632	1.1
127.03902	1.4
127.07558	0.7
129.07018	5.6
131.04976	0.9
131.08575	6.0
133.06534	1.4
133.10141	5.6
135.11720	1.5
137.09624	3.7
142.07797	1.3
145.05002	0.6
145.10110	1.2
147.04442	2.2
147.08092	1.9
147.11676	8.5
149.09615	4.0
151.11211	0.6
155.10654	3.5
157.10129	7.5
159.11743	0.6
161.05942	0.6
163.11151	1.0
165.12794	2.0
173.11748	16.0
175.11168	8.7
193.12253	25.8
203.07162	0.5
211.13301	35.9
229.14360	57.4
237.55196	0.5
267.09091	1.2
267.15915	12.3
271.06058	2.5
272.06375	1.0
275.23694	0.6
285.10236	1.4
285.16959	29.8
297.70383	0.5
303.23123	1.5
373.18582	0.5
403.24966	1.2
421.25873	15.8
439.26917	100.0
440.27271	1.4
583.30957	0.9
636.34564	2.5
637.31592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.1
53.03945	8.0
55.01867	5.2
55.05513	55.6
57.03428	6.4
57.07069	8.7
59.04984	3.5
65.03928	4.0
67.05508	35.2
69.03429	22.1
69.07068	51.4
69.22481	22.3
71.04993	8.8
79.05486	33.2
80.64342	2.5
81.03415	39.8
81.07061	100.0
83.04984	11.6
83.08639	14.4
84.51747	2.7
85.02901	10.3
85.06546	7.4
89.27196	2.2
91.05479	27.0
93.07044	64.4
95.04969	29.2
95.08002	2.6
95.08611	76.5
97.02898	14.4
97.06544	14.9
97.10177	80.4
98.20652	2.9
99.04453	10.0
99.08086	5.7
99.29883	2.3
105.03394	45.9
105.07035	47.8
106.03707	2.9
107.04945	21.4
107.08604	49.8
109.02882	40.5
109.06522	17.1
109.10158	56.4
111.04404	6.4
111.08096	11.6
111.11714	5.3
112.12357	2.2
115.05476	2.6
117.06993	7.5
119.08584	42.8
121.06499	9.7
121.10152	43.8
123.04426	7.4
123.08073	9.9
123.11715	42.4
123.87163	2.9
125.05986	4.7
125.09653	23.2
127.03938	22.9
128.06261	3.3
129.07008	6.5
131.04933	5.3
131.08575	19.7
133.06468	2.7
133.10144	25.2
135.08044	6.8
135.11694	30.8
137.05971	6.2
137.09584	9.5
137.10519	2.3
137.13261	6.6
139.11186	16.3
141.09103	4.5
142.07767	3.6
143.08510	9.1
143.10664	16.0
144.09442	2.6
145.04951	2.8
145.06467	4.1
145.10144	23.5
147.04434	13.6
147.08061	7.6
147.11687	31.5
149.09634	7.5
149.13260	17.5
151.07541	8.5
151.11179	8.0
151.14851	3.9
153.12744	6.5
155.08591	3.0
155.10661	2.6
157.10103	12.3
157.12192	3.2
159.08073	6.4
159.11688	27.2
161.09666	7.5
161.13237	14.0
163.07559	4.5
163.11166	12.5
163.14796	6.6
165.09106	9.4
165.12772	8.6
167.10730	3.0
167.14281	4.1
169.08810	2.7
169.10152	3.9
171.08089	3.0
171.10139	4.2
171.11652	6.2
171.13838	2.4
173.09642	6.6
173.13266	9.7
175.11174	7.3
175.14839	8.1
177.12724	7.6
177.16388	4.0
179.10681	2.7
179.14299	2.4
181.12254	4.6
183.11717	5.6
185.09584	2.8
185.11780	2.9
185.13281	4.3
187.11188	4.8
187.13300	4.5
187.14825	6.4
189.11198	4.0
189.12787	4.8
189.16428	4.1
191.10727	4.1
191.14197	2.6
197.13350	2.9
199.14827	5.0
201.12834	2.7
201.16371	3.2
205.15916	2.8
213.12738	3.6
217.12210	2.8
231.13828	4.1
245.15402	3.5
251.16585	2.9
267.08728	6.1
273.22144	2.6
275.23706	5.9
285.22061	4.0
291.23203	7.5
293.24756	6.5
301.21652	3.2
303.23206	41.8
309.24292	3.6
319.22748	5.0
321.24216	21.5
383.25894	6.7
387.25430	2.8
393.24231	3.6
399.25140	4.9
405.25900	3.5
411.25305	13.6
417.26343	5.2
423.26935	2.9
427.24869	2.5
429.26373	33.0
435.27362	9.3
447.21008	3.3
447.27426	60.9
453.28323	9.8
465.28500	77.4
483.29633	26.0
501.30771	4.5
579.24646	2.8
635.30084	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04066	2.9
51.71760	2.5
53.03938	8.7
55.01860	6.5
55.05272	4.7
55.05516	60.3
56.96556	5.2
57.03422	7.0
57.07076	5.2
58.11675	2.6
61.02924	4.4
67.05504	38.6
69.03437	24.6
69.07070	46.7
69.38847	7.1
69.39262	15.9
70.48936	2.6
71.01325	2.8
71.04986	11.0
72.08134	3.0
74.09737	4.1
79.05492	25.4
79.23580	3.0
80.28906	2.8
81.03425	37.7
81.07060	79.3
83.04984	10.0
83.08637	16.7
84.96032	2.7
85.02917	13.4
85.06538	12.7
91.05486	24.1
93.07046	42.8
95.04960	23.7
95.08608	63.2
97.02885	9.7
97.06535	14.6
97.10172	100.0
99.04464	8.1
99.08098	6.3
105.03410	13.8
105.07040	41.7
107.04961	16.4
107.08599	43.0
109.02876	33.5
109.06507	12.8
109.10157	46.4
111.04414	6.9
111.08084	11.6
111.11747	6.5
117.07024	8.9
119.04961	5.3
119.08585	30.3
121.02892	4.9
121.06532	7.9
121.10162	33.7
123.04422	5.9
123.08024	8.1
123.11705	40.5
125.09634	20.0
127.03928	20.8
129.07016	5.8
131.04913	3.4
131.08574	9.2
133.06490	4.9
133.10139	23.2
135.04524	3.9
135.08078	9.0
135.11693	20.0
137.06042	6.4
137.09592	9.3
137.13274	5.9
139.11174	17.0
143.08588	8.6
143.10678	19.2
145.10095	18.4
147.04424	10.6
147.08015	8.2
147.11693	23.6
149.09642	4.2
149.13306	13.8
151.07527	5.1
151.11179	7.5
153.12619	3.0
155.08549	6.8
157.10161	7.0
157.12196	4.7
159.08087	6.6
159.11678	16.6
161.09592	7.5
161.13261	12.5
163.07451	3.7
163.11185	9.6
163.14717	2.9
165.09103	11.7
165.12778	10.1
169.10132	3.1
171.10243	4.8
171.11714	8.3
173.09552	4.9
173.11850	3.8
173.13263	10.1
175.05762	2.6
175.11185	10.8
175.14825	5.6
176.88510	3.1
177.05518	3.1
177.09131	4.4
177.12756	6.8
183.11720	4.2
185.13208	6.1
187.14766	6.6
189.11195	6.0
189.12730	4.3
191.14307	4.1
197.01253	3.4
197.13165	3.4
201.12721	3.3
203.10687	4.7
203.12640	3.8
213.12698	5.1
215.14272	3.5
217.15959	3.9
221.15245	3.0
227.14409	4.0
231.13832	3.7
233.15182	3.2
235.60529	3.0
257.22668	3.2
265.18057	3.0
267.08997	10.2
267.15952	3.8
275.23672	4.4
285.10220	11.9
285.22220	4.7
291.23013	4.4
301.21674	7.0
303.23166	25.3
311.75638	3.2
319.22473	3.5
321.24356	21.4
339.25241	5.1
345.24356	3.4
356.17593	3.1
365.24704	3.2
401.27176	2.7
405.26331	3.3
411.25275	10.7
417.26233	6.8
429.20956	4.3
429.26346	42.5
435.27322	10.6
439.26816	6.1
447.27444	62.1
453.28467	11.2
465.28476	94.1
483.29385	30.0
537.13452	3.0
569.67279	2.8
635.34088	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	635.2867
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
53.72066	0.6
53.85176	0.5
56.37280	0.5
58.41578	0.5
62.44201	0.5
67.05499	0.9
69.63641	3.2
70.62421	0.6
81.07072	0.7
103.84812	0.6
133.10033	0.6
138.58385	0.5
162.80788	0.6
292.80750	0.6
389.17593	1.0
401.17694	1.1
402.18326	1.0
403.19122	3.1
404.19894	2.0
405.20816	1.3
415.15106	1.0
415.19885	0.8
416.20480	1.1
417.16776	2.0
417.21732	4.0
418.21548	2.3
419.22336	4.1
429.16830	1.2
430.17496	3.4
431.18091	7.5
431.23630	1.1
432.18692	1.3
432.23563	2.0
433.24277	4.3
434.24811	1.1
443.18359	1.2
444.19620	2.5
445.20010	12.7
446.20724	2.8
447.21570	3.2
457.20456	0.9
458.21313	1.4
459.21860	8.2
460.22668	10.5
461.23361	7.0
473.23590	2.5
487.26263	0.7
491.24646	0.7
492.25516	0.7
505.22717	3.1
517.22699	2.0
518.23230	1.1
519.23407	4.6
531.24005	2.6
532.24896	1.0
546.26434	3.6
547.27063	17.9
548.06934	0.7
575.26575	2.5
577.24872	2.9
585.24249	0.8
591.25824	3.3
605.27960	0.9
606.28424	14.9
606.38245	0.9
607.29102	24.5
617.27502	1.0
635.28687	100.0
636.29169	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	635.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	15.0
55.01859	9.2
55.05513	28.2
55.50949	2.3
56.21609	2.3
57.03445	14.0
62.80199	2.1
65.03915	4.5
67.05181	3.6
67.05511	61.7
69.03436	20.5
69.07066	14.8
69.88213	12.9
71.04978	9.8
71.86497	2.4
73.02911	2.4
79.05499	74.9
81.03425	93.2
81.07063	54.7
82.70068	2.2
83.04975	19.5
83.08621	19.6
85.02908	17.0
85.06525	3.5
91.05491	69.7
93.07053	64.8
95.04978	31.7
95.08614	29.1
97.02902	16.7
97.06519	9.2
97.10169	8.5
98.97591	2.6
99.04446	7.5
103.03970	2.7
103.05487	4.0
105.04524	4.6
105.07031	55.0
107.04964	17.6
107.08602	24.1
109.02881	17.4
109.06502	11.1
109.10141	5.9
111.04439	12.3
111.08068	8.5
115.05451	5.0
117.07037	16.3
119.08604	36.0
121.06474	5.9
121.10125	12.3
123.04455	5.6
123.08076	7.2
123.11700	6.9
125.09626	4.1
127.03896	11.1
128.06235	4.8
129.07024	25.7
131.04922	5.7
131.08578	18.4
133.06496	4.7
133.10136	16.7
135.11681	5.8
143.08553	9.9
145.06471	5.3
145.10104	10.3
147.04405	3.9
147.08084	5.5
147.11697	34.3
149.05971	2.8
149.09651	5.1
153.12685	3.3
155.08672	3.5
157.06480	2.5
157.10159	8.1
159.11665	5.8
161.09613	2.8
161.13263	11.2
163.11197	5.9
163.89876	2.9
167.08527	2.7
169.10103	2.7
171.11696	18.0
172.67105	2.9
173.04448	10.0
173.05843	3.1
173.09518	2.7
175.11212	9.5
177.12816	2.8
185.13283	4.1
189.11232	3.4
189.12767	7.7
193.12271	29.7
207.13818	21.4
208.17445	2.8
211.13281	34.7
227.12770	6.7
267.08737	3.3
267.15915	10.9
269.12384	3.0
281.17493	25.5
283.01801	2.9
285.10153	3.3
285.17249	3.1
287.16574	4.5
315.15753	3.6
319.02271	2.5
326.23013	2.8
337.16312	5.5
351.17584	3.7
355.17374	8.6
355.65973	4.4
389.19504	3.6
411.20108	5.9
473.29016	18.4
491.30313	13.1
599.31799	3.2
617.33075	8.4
635.34656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
56.96568	12.8
57.03424	1.0
67.05490	3.7
69.03428	1.4
69.07084	1.4
69.19537	6.1
69.19965	5.2
71.95286	1.4
71.98006	1.0
79.05502	3.9
81.03426	2.8
81.07061	4.7
84.96046	1.4
88.76903	1.0
91.05499	3.3
93.07056	4.2
95.04979	1.9
95.08633	3.1
98.97570	1.2
102.92628	3.2
105.07036	2.1
107.08603	1.8
109.02890	2.3
109.10132	2.2
110.97585	3.0
116.13762	1.2
118.92114	4.8
119.08595	2.9
121.10162	1.3
124.99076	1.4
128.98639	3.0
131.00174	1.1
131.08646	1.5
133.10114	2.7
136.93121	45.4
143.00206	2.9
145.10162	1.3
146.99680	2.5
154.94174	77.2
159.11659	1.1
163.11203	1.0
172.95245	92.6
173.01326	1.1
177.95787	7.0
178.94243	1.7
180.95660	1.5
182.99689	2.9
190.96292	30.1
192.95796	2.9
195.96825	10.1
196.95285	3.2
200.94800	1.2
201.00731	2.8
210.75278	1.0
210.96834	17.4
212.94720	2.2
212.98418	2.5
213.97977	2.9
214.96269	2.8
221.03017	1.0
222.96870	1.2
228.97862	29.0
229.00105	1.5
233.98529	2.0
238.96251	2.0
240.97887	1.4
246.98770	6.0
251.99506	2.5
262.96326	2.6
280.97314	7.0
298.98523	21.2
308.87561	1.2
315.16351	1.6
316.99435	21.8
317.17871	53.5
321.99844	2.7
333.17377	1.7
335.19022	15.4
340.01050	2.4
343.61710	1.1
358.20572	8.6
373.02097	2.2
391.21469	1.8
397.14655	4.9
453.17163	70.9
457.10568	3.2
471.18234	100.0
472.19247	1.7
489.19275	8.3
494.19815	22.2
541.18579	2.3
551.29370	1.2
615.22162	2.5
633.23645	72.2
633.35718	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	635.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61461	0.3
60.63404	0.3
67.05523	0.3
67.11122	0.3
68.49326	0.3
71.06995	0.5
71.07329	0.4
72.08145	0.4
72.82964	0.3
74.79375	0.2
88.01830	0.3
93.07063	0.3
131.92174	0.3
169.21799	0.3
202.39517	0.3
209.10851	0.4
221.10760	0.4
223.12199	0.3
224.13184	0.3
225.10222	0.4
233.10797	0.3
235.12451	0.5
237.13885	0.3
247.12405	0.5
277.13379	0.3
312.15048	0.4
388.17200	0.4
389.17798	0.9
390.18689	0.4
401.17905	0.9
402.18631	0.9
403.19333	2.4
404.20599	0.7
405.21112	1.4
415.19449	0.9
416.20200	0.8
417.16296	0.6
417.21320	3.5
418.22006	1.4
419.22464	1.2
429.16708	0.6
429.21609	0.5
430.17191	1.6
431.17990	5.0
431.23639	0.8
432.19058	2.3
433.24319	2.4
443.18246	0.4
444.19528	1.2
445.19989	6.9
446.20889	1.9
447.21948	0.6
459.17810	1.7
459.23288	1.9
460.22781	2.9
461.23706	3.4
471.22311	0.5
472.22232	0.3
473.19553	0.9
473.23740	0.9
474.20276	0.6
475.21472	1.4
477.23160	0.4
487.21350	1.0
488.21899	3.3
489.22836	5.1
501.22989	1.0
502.24088	0.4
503.20792	0.7
505.22284	0.8
515.24677	0.8
517.22473	0.5
519.20142	0.4
519.26685	0.6
531.36578	0.7
532.24921	0.7
533.22040	0.6
543.24152	0.6
547.27594	6.3
556.31146	0.3
575.26563	20.4
576.27014	0.5
591.22845	0.3
603.26404	0.9
607.29114	1.4
635.28674	100.0
636.28967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
56.96566	14.0
57.98975	0.4
67.05509	1.9
69.03413	0.7
69.07066	0.9
71.95259	2.4
72.96049	0.6
74.97595	0.6
79.05476	1.2
81.03399	0.4
81.07072	1.9
83.08583	0.5
84.96029	1.1
91.05464	1.3
93.07026	1.5
95.04957	0.5
95.08582	1.3
97.06448	0.3
97.96797	1.0
98.97582	1.2
105.00124	0.5
105.07016	0.8
107.08597	1.0
109.10175	0.8
110.97570	3.4
111.08122	0.4
112.99123	0.5
116.98621	0.4
119.08569	0.8
121.10138	1.2
123.01169	0.6
128.98616	4.7
133.10115	0.9
137.02766	0.8
143.00134	0.5
146.99651	2.8
153.02345	0.4
159.11635	0.5
161.01239	1.2
171.03325	1.1
185.04849	0.6
189.04318	0.9
203.05927	1.0
205.07491	0.6
223.08276	0.4
249.07912	0.5
251.09538	0.5
262.82574	0.4
263.09576	1.3
269.10687	0.4
277.11151	2.6
277.14117	0.3
278.11795	0.5
281.10638	0.5
291.12854	0.7
315.16074	0.7
316.78641	0.4
317.17868	43.5
318.18262	0.5
333.05765	0.5
333.17337	2.1
335.18930	100.0
336.19348	1.1
353.19983	18.1
358.20541	20.3
359.20724	0.5
376.21515	3.3
396.12552	0.5
399.23117	0.8
532.88800	0.4
572.31232	0.5
595.40283	7.4
618.41357	0.5
631.33392	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2727
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
50.71599	0.3
62.64470	0.3
80.46887	0.3
80.80418	0.3
84.26656	0.3
85.70602	0.3
89.06041	0.4
92.95293	0.3
98.20812	0.8
102.76668	0.3
107.61109	0.3
115.50899	0.3
127.27843	0.3
127.95879	0.3
133.08629	0.3
140.20621	0.3
182.07921	0.3
264.80417	0.3
265.92731	0.3
343.19983	0.3
405.14148	0.3
527.20978	0.3
570.73444	0.3
629.27356	100.0
630.27765	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32617	0.9
53.03939	1.3
55.01873	2.2
55.05513	2.6
57.03433	1.2
67.05494	4.0
69.03413	3.1
69.07080	5.3
70.29278	2.8
70.29625	1.0
71.04993	4.4
77.89904	0.9
79.05489	5.3
79.48814	1.0
81.07062	17.6
83.04984	5.3
83.08627	2.6
85.02910	6.9
85.06525	3.4
91.05464	6.1
93.06482	1.5
93.07051	21.2
94.06553	1.2
95.04975	5.6
95.08606	22.9
96.08123	1.2
97.02888	1.7
97.06534	14.1
98.97522	1.1
99.04467	12.4
105.07024	12.5
107.04936	3.0
107.08602	11.5
109.06535	13.6
109.10154	3.5
111.08080	8.7
113.06015	2.6
119.05016	1.4
119.08580	5.9
121.05665	2.2
121.06509	39.5
121.10138	1.6
123.04415	1.2
123.08072	3.3
123.11704	3.6
125.05994	7.3
127.07571	3.5
129.06929	1.3
131.08618	1.6
133.10138	9.6
135.04431	1.7
135.08047	6.5
136.07565	1.8
137.05948	1.8
137.09595	1.7
139.07553	9.7
141.05475	1.6
143.07028	3.9
143.08580	2.5
145.04973	1.4
145.10138	2.9
147.08023	2.0
147.11676	23.0
151.07484	1.4
151.11156	2.9
152.07068	11.5
153.07382	3.9
157.08615	6.9
157.10133	9.3
159.06548	7.6
161.06004	1.5
161.13258	6.4
165.12805	6.5
169.12247	10.6
171.11734	7.8
173.09601	1.6
175.11197	17.2
181.10060	2.2
189.12773	14.9
193.12257	19.0
199.11194	15.4
207.13847	7.8
211.13303	12.6
217.12260	47.6
224.72868	1.2
229.14333	5.5
235.13306	60.4
253.14363	100.0
271.15414	34.1
271.17642	0.7
289.16470	56.4
298.12857	1.5
299.13321	2.4
303.05103	1.9
316.13898	1.2
317.14160	1.5
327.49890	1.1
338.86145	1.1
377.01758	3.1
398.90448	1.0
450.19211	1.3
467.20111	1.3
468.20767	6.7
505.21091	1.2
649.11145	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96583	0.8
57.07079	5.0
57.99878	0.7
58.06600	1.6
58.18092	0.7
63.00726	0.7
65.03942	1.5
67.05492	0.9
70.06599	15.8
70.40479	2.8
81.07066	1.1
85.02924	0.8
88.07636	18.9
93.07073	1.0
102.09200	13.1
105.03391	1.7
110.66914	0.7
116.95170	0.7
119.89008	0.7
123.08015	0.8
126.45028	0.6
139.03958	0.8
149.02354	37.0
149.03401	2.1
158.35011	0.8
175.03934	1.1
177.05533	1.0
184.20706	0.8
193.04982	43.5
199.40941	0.8
219.06535	1.2
225.05434	0.7
228.23244	40.7
237.07593	9.3
269.04474	1.0
297.04120	2.4
313.07260	2.4
336.46744	0.8
341.06610	7.9
359.07700	5.5
385.09192	15.0
429.11865	24.8
589.06152	1.2
607.07623	3.6
630.32782	100.0
631.33362	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46583	0.9
55.01855	0.8
55.05515	1.1
57.90768	0.7
66.80866	0.8
67.05508	1.6
79.05500	1.7
81.07066	3.4
86.64072	0.8
91.05459	0.9
93.07053	1.5
94.75709	0.8
95.08607	1.4
97.06664	0.8
97.07377	0.7
107.08607	0.9
119.08600	1.1
121.10212	1.1
197.66862	0.8
340.16367	0.8
411.14636	2.3
424.15427	1.7
425.16223	6.4
426.16968	2.9
427.17828	3.0
438.17328	0.9
439.18082	8.9
440.18704	6.7
441.19446	2.3
442.19980	1.2
452.14459	4.4
453.15536	30.1
454.20123	4.7
455.20883	40.4
456.20883	1.4
466.16086	1.7
467.17123	33.4
468.17731	8.1
481.18698	4.6
482.19351	23.3
483.20193	1.1
485.18063	1.1
494.18100	1.3
495.20294	1.1
496.17880	1.1
508.19565	1.1
510.20984	1.0
513.21198	1.1
524.21826	3.3
525.22754	7.5
528.23804	3.2
541.25024	4.9
542.25641	1.7
553.22131	68.0
554.21857	2.3
569.23999	100.0
570.24414	3.4
597.22168	1.6
600.21918	1.9
601.26294	4.4
611.45667	1.3
629.25989	84.9
630.26086	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2249
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05547	0.7
70.80787	1.3
83.67193	0.5
101.07943	0.5
106.99260	0.6
163.70447	0.5
248.02013	0.5
396.12350	1.7
397.12985	2.2
398.13751	1.0
399.14703	1.0
400.15308	0.6
409.13071	0.7
410.13663	3.7
411.14624	7.0
412.15280	5.7
413.16309	4.1
423.14569	1.4
424.11050	0.9
424.15616	2.3
425.16315	18.8
426.16989	10.7
427.17685	3.8
428.18610	4.9
437.16556	1.2
438.12387	3.6
439.13647	24.5
440.19116	8.0
441.19327	44.4
442.19815	1.5
448.49228	0.5
452.14505	4.3
453.15469	27.4
454.15952	7.2
456.18149	1.1
457.15164	0.9
465.15701	0.9
466.16846	1.6
467.17206	32.9
468.17987	23.1
469.18887	11.3
471.16882	1.6
472.17578	0.8
480.17651	0.6
481.14703	11.5
482.15842	1.9
483.16693	0.7
484.22073	3.8
485.17123	2.4
486.19064	0.9
494.18094	1.1
495.21045	1.3
496.17172	8.4
497.17688	0.7
497.22528	0.7
498.19183	1.8
499.20224	2.8
500.20694	5.5
508.19156	0.9
509.18573	1.2
510.18668	0.7
512.21088	2.8
513.21838	7.5
514.22064	0.8
522.16626	0.7
523.19910	2.0
525.20880	0.9
526.18463	0.7
528.20251	0.9
541.20886	46.8
542.21246	1.0
553.20758	1.4
559.21637	0.6
569.20361	100.0
570.20581	2.6
572.18677	0.9
573.23840	3.3
597.19806	33.4
598.20068	0.9
600.22382	1.9
601.22980	15.7
611.22192	0.8
615.20502	0.6
629.22394	87.4
630.22620	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14479	0.2
50.17910	0.2
51.00208	0.2
53.03939	0.3
55.05494	0.3
56.96564	0.3
57.01940	0.2
57.03443	0.3
57.49899	0.2
65.03941	1.5
67.05494	0.4
69.03438	1.3
69.07078	0.4
69.47760	1.2
71.04966	0.2
75.73602	0.2
79.05481	0.5
81.03438	1.0
81.07052	0.6
83.04984	0.2
85.02916	1.3
88.35436	0.2
91.05485	12.1
93.03423	0.2
93.07027	0.3
95.04956	0.2
95.08628	0.3
97.02893	0.6
97.66473	0.2
98.97619	0.3
103.05471	0.2
105.07036	0.3
107.04962	2.8
107.08560	0.4
109.02893	0.8
111.04449	0.2
119.04948	25.9
119.08603	0.4
121.02853	0.5
123.04436	0.7
127.03945	0.7
135.04498	0.3
137.05978	1.1
139.03912	1.6
145.06453	0.2
147.04416	100.0
148.04770	0.6
149.02339	1.2
151.03935	0.3
153.01823	2.4
161.06126	0.2
161.09651	0.2
163.03905	0.6
163.07585	0.2
165.05450	1.0
167.03439	0.3
167.07082	0.4
177.05469	0.4
179.07100	0.3
181.04910	0.4
191.06906	0.2
195.02905	1.1
205.04817	0.4
213.10258	0.3
215.07071	0.2
219.02922	0.4
229.04965	0.3
237.02795	0.2
239.74352	0.2
245.12801	0.7
247.06073	0.8
255.11226	0.5
257.04346	0.4
261.03992	0.3
262.76102	0.2
271.06091	0.6
275.05362	1.0
283.10815	0.3
287.05441	0.4
291.08694	1.2
299.05588	0.4
301.11829	0.9
303.05075	0.7
309.09641	1.0
317.06638	0.2
321.06042	1.6
327.05096	0.4
345.06094	0.3
361.15054	0.3
363.07193	0.5
389.14856	0.4
407.16153	0.9
435.15347	1.7
444.15295	0.5
449.21674	0.5
451.22943	0.6
467.12286	0.4
467.18140	3.6
521.97925	0.2
597.20618	0.2
629.21313	0.8
629.27856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12897	0.1
56.96570	13.6
56.96838	0.7
69.64418	1.1
71.95266	2.2
72.96049	0.9
74.97569	0.6
84.96043	1.4
93.07015	0.2
97.96234	0.2
97.96800	1.8
97.99158	0.2
98.21494	0.2
98.97537	0.8
99.98344	0.2
105.00164	0.9
107.08531	0.2
110.97573	6.2
112.99085	0.6
115.97799	0.7
116.98594	0.5
117.50146	0.2
119.01703	0.4
123.01176	0.3
124.99099	0.4
125.98631	0.2
128.98611	6.4
131.00104	0.3
133.98756	0.2
137.02695	0.7
141.02188	0.2
143.00156	1.3
143.03828	0.2
146.99652	2.7
151.00636	0.3
151.04268	0.4
152.00143	0.6
153.02249	0.2
155.03688	0.3
157.01768	0.3
161.01205	1.0
161.04784	0.3
165.00719	0.2
165.05867	0.3
167.03853	0.3
169.01724	0.3
169.05325	0.3
170.01198	0.4
171.03316	1.2
175.02747	0.8
179.00195	0.2
179.02173	0.2
183.03288	0.3
185.04872	0.8
189.04346	0.9
190.05112	0.5
197.08572	0.2
199.06349	0.5
201.07985	0.2
203.04063	0.3
203.05913	1.1
204.06531	0.2
205.05461	0.2
205.07471	0.5
207.06979	0.2
208.06291	0.3
209.04912	0.2
209.08507	0.2
211.06349	0.3
215.05853	0.2
217.07448	0.4
219.08865	0.2
221.04887	0.2
223.02638	0.2
223.06351	0.2
225.07957	0.6
227.09508	0.9
231.08887	0.3
235.06406	0.3
237.07922	0.2
241.11093	1.4
243.09013	0.3
245.08437	0.7
245.10715	0.6
249.07904	0.3
252.10341	0.5
255.12813	0.2
259.12170	0.9
261.08020	0.2
263.09564	2.5
264.10269	0.4
264.12747	0.2
265.11203	0.8
270.11407	0.2
273.11374	0.2
277.11288	0.9
281.10718	0.3
283.12003	0.3
285.11743	0.7
286.11307	0.3
289.11069	0.6
291.12494	0.2
303.12650	1.8
313.14752	0.7
315.16315	49.0
316.16684	0.5
317.14163	0.5
321.13724	0.4
331.15829	2.3
333.17371	100.0
334.17532	0.9
347.18927	0.2
349.16846	0.3
351.18433	16.0
354.17508	0.2
356.18988	11.5
357.19455	0.3
374.20081	4.4
397.21985	0.3
457.05450	0.2
591.37732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2816
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.19530	0.7
55.01866	1.2
64.88759	0.8
67.05496	2.4
71.54105	1.1
77.76290	0.7
79.05508	1.1
81.07065	1.8
83.04970	0.9
85.02914	0.9
91.05496	1.3
91.32549	0.8
93.07043	1.9
95.08610	1.5
105.07021	0.9
105.51904	0.9
133.10043	1.2
136.07648	1.1
174.09137	4.1
177.12680	0.8
185.07126	0.9
187.08675	1.1
187.12302	3.7
188.10739	1.8
188.12306	0.8
196.07616	0.9
197.07013	0.8
199.08641	0.8
211.08714	1.8
215.11700	1.7
225.10268	2.9
227.11905	2.5
235.08687	1.1
239.11856	1.3
241.13451	2.2
243.11279	19.3
243.13635	1.2
249.10266	1.6
251.11786	1.6
252.08960	1.3
253.09769	1.3
267.11420	5.9
269.12848	1.4
277.09631	2.5
285.12570	1.9
291.11145	1.0
295.10831	2.8
301.15500	3.1
309.12268	1.7
316.10785	1.5
325.15598	6.4
326.12994	1.3
327.13367	5.5
328.10837	1.3
328.14474	1.8
329.11652	1.5
330.12527	2.1
341.11758	1.3
342.12531	2.6
343.13165	2.9
344.13934	2.9
345.14645	1.1
346.15573	1.7
348.13620	2.6
355.13202	1.2
356.13989	2.0
357.14801	1.6
358.15491	2.6
360.17068	1.3
366.18222	1.1
370.11624	0.9
370.15836	1.6
372.17300	3.8
384.17401	1.1
386.14703	1.3
398.15158	1.2
400.16794	1.9
418.17810	2.1
421.16904	1.1
423.18460	1.0
432.19312	4.8
435.18695	1.2
437.19989	1.0
444.19125	1.3
445.20111	1.3
447.22504	1.8
450.20944	1.3
451.17062	1.0
460.18500	1.2
462.24841	1.9
463.21329	3.5
465.18942	12.0
477.18784	1.5
478.20273	1.2
479.20456	5.5
480.21655	3.4
481.22299	3.3
489.22226	1.3
490.21039	1.0
491.20895	1.4
492.21582	2.6
493.22607	2.8
504.21014	1.4
507.23984	3.7
508.21033	1.0
517.22723	1.6
520.20959	1.2
535.23438	5.9
537.20978	1.0
541.24341	0.9
549.24939	8.7
553.24225	1.5
567.26074	49.4
577.24512	1.4
595.25488	34.2
627.28094	100.0
628.28632	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	627.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.3
56.96536	0.7
67.05467	0.4
69.03410	0.4
69.07048	0.5
71.54323	0.4
79.05457	0.6
81.03389	0.5
81.07039	1.0
83.08608	0.3
84.96002	0.6
85.02879	0.5
91.05495	1.2
93.07015	0.5
95.04971	0.4
95.08611	1.0
97.02860	0.3
99.04393	0.2
102.04675	0.4
103.05429	0.4
105.03391	1.6
105.06992	0.8
107.04929	0.6
107.08572	0.6
109.02846	0.3
109.10096	0.6
110.03626	0.4
111.08020	0.2
119.04911	0.9
119.08549	0.6
121.04369	0.2
121.10136	0.5
123.04477	0.2
123.11697	0.4
124.05196	0.4
127.03893	0.5
128.98592	0.3
130.04095	0.7
131.04883	0.5
133.06447	0.3
135.04388	0.4
136.05165	0.7
137.05948	0.9
139.03903	0.2
139.11203	0.3
143.00215	0.3
145.02818	0.7
145.10101	0.3
146.03612	1.9
147.04427	1.9
148.05179	2.7
149.13213	0.4
151.07614	0.3
153.01804	2.7
154.44528	0.2
159.11717	0.2
161.05975	1.6
161.09515	0.2
162.06743	0.7
163.03860	0.8
167.06987	0.3
170.99658	0.5
177.05507	1.3
179.00081	0.8
179.07079	0.3
181.04941	0.4
185.13332	0.2
197.01244	2.5
203.03378	1.3
215.02223	1.0
229.04987	2.2
241.04848	0.6
242.05730	5.8
253.04955	2.0
255.06494	0.3
257.04440	33.9
258.05240	9.8
263.02219	0.3
265.03897	0.3
267.08615	0.3
269.04391	0.8
270.05280	1.6
271.06030	0.9
283.06009	0.5
285.03952	5.9
286.04712	22.2
287.05481	10.3
295.06119	0.3
297.03931	3.6
299.05499	1.5
300.06094	0.4
301.07245	0.3
305.03278	0.4
311.05331	0.2
321.02753	0.8
323.04504	0.7
327.05005	1.4
329.06708	0.2
339.10684	0.2
341.06561	1.5
342.91727	0.2
373.07025	0.7
375.08755	0.5
386.07800	0.3
387.08612	0.6
389.06555	0.2
391.07965	0.3
403.08102	0.9
411.07257	0.6
415.08069	0.5
415.28537	0.4
418.16263	0.5
429.08701	1.1
431.07455	0.3
432.08493	1.7
433.08939	0.2
433.29431	0.4
435.10770	4.0
447.10736	18.9
448.11340	0.3
451.30557	0.4
465.11810	100.0
466.12225	1.2
515.26965	0.2
578.59869	0.2
627.17212	1.9
627.32861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.03960	1.0
55.01863	1.2
55.05503	4.7
57.03427	1.4
57.07074	1.2
64.83781	0.9
67.05505	10.6
67.37260	0.8
69.07069	3.6
69.31701	3.5
69.32124	4.1
79.05490	9.3
81.07055	11.3
83.04949	1.1
83.08606	2.6
91.05502	8.2
93.07042	7.9
95.04948	1.4
95.08607	7.9
97.06527	2.3
97.10189	2.8
98.21584	1.3
103.25533	0.9
105.07011	5.9
107.08601	6.6
109.06512	1.4
109.10154	3.1
111.08050	1.4
117.07034	2.0
119.08575	5.3
121.10149	3.0
123.08067	1.2
123.11717	1.4
125.09615	1.7
131.08577	3.7
133.10159	2.5
135.11699	3.1
143.08586	2.3
145.10114	4.8
147.07970	0.9
147.11705	3.2
149.09584	1.4
157.10159	2.2
159.11685	3.3
169.10301	1.5
171.11703	2.2
183.11667	1.1
185.13295	1.8
221.14290	0.9
227.17950	0.9
249.13869	0.9
275.20190	3.7
282.42410	0.9
335.25967	2.2
365.18060	1.2
367.19308	2.1
379.19284	2.2
381.21066	1.2
395.18707	2.3
406.21918	1.2
407.22211	1.5
409.20493	1.9
410.21912	1.2
420.19528	2.0
421.20203	1.5
422.20950	1.1
423.22159	1.4
425.23419	1.6
432.19702	1.1
433.20026	1.4
435.22049	2.7
436.22742	1.3
437.23849	4.8
438.20450	2.4
441.52158	0.9
447.21970	3.1
449.23331	4.7
451.21506	1.8
453.22791	11.6
454.23566	2.2
461.23721	1.3
463.25238	2.1
465.23007	1.9
466.23413	1.2
467.24002	1.7
469.26096	3.1
475.21420	6.1
479.24615	1.3
481.22501	1.3
483.23996	1.3
489.22879	1.3
490.23523	1.1
491.24283	1.1
495.26575	1.1
497.25491	5.8
501.22794	1.5
503.20758	1.5
507.23953	3.2
511.27176	1.5
512.27832	4.8
521.25488	1.4
522.26172	4.4
523.27283	8.3
525.25354	4.8
529.38800	3.1
531.23853	1.6
539.26385	2.3
540.27313	25.6
549.24750	4.4
551.26263	1.6
567.25854	7.5
591.25555	4.2
595.25336	1.6
609.27112	6.2
609.45068	7.1
627.28125	100.0
627.45789	8.9
628.28375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.156
Annotation	Myricetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03944	0.2
53.72863	0.2
55.01874	0.4
55.05505	0.2
57.03435	2.0
61.02917	0.6
67.64075	0.2
68.99792	0.7
69.03430	1.4
69.24000	1.2
69.24403	0.3
71.01349	0.2
71.04997	11.1
72.17831	0.2
73.02910	0.3
75.04493	0.3
76.39291	0.2
81.03403	0.6
83.04967	0.5
85.02907	15.5
87.04471	0.4
91.03957	0.4
93.03381	0.2
97.02898	1.2
99.04463	0.2
109.02891	0.9
111.00797	2.1
111.04433	0.5
115.40105	0.2
127.03920	1.1
129.05479	3.3
137.02332	1.5
145.04967	0.8
147.06578	0.9
151.03955	0.3
153.01833	8.5
153.05385	0.2
165.01843	2.7
166.02596	0.2
177.05525	0.3
179.03403	1.0
183.02971	1.1
189.05472	0.6
193.01237	0.2
195.02931	0.6
199.03908	0.2
203.03503	0.2
207.02939	0.4
217.04971	2.6
221.04333	0.3
227.03532	0.3
229.04907	0.5
235.02307	0.3
235.06030	0.3
244.03824	0.2
245.04459	3.8
249.03693	0.2
255.02872	0.4
263.05466	0.7
263.60229	0.2
272.03223	0.2
273.03931	3.3
287.05579	0.4
288.05698	0.3
289.06052	0.3
290.04205	1.1
301.03555	0.9
303.04993	8.4
319.04483	100.0
320.04828	0.7
361.05450	0.4
465.10303	1.3
481.09769	0.7
517.87384	0.2
529.38257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24883	0.2
55.05512	0.3
67.05496	0.6
69.07086	0.4
69.69778	1.3
79.05492	0.5
81.07059	0.7
85.29185	0.2
90.09795	0.2
91.05489	0.5
93.07044	0.5
95.08600	0.5
105.07051	0.4
109.10161	0.2
119.08617	0.4
121.10201	0.2
131.08603	0.3
145.10075	0.3
146.69980	0.2
159.11787	0.2
291.32516	0.2
375.16028	0.3
379.19165	0.3
389.17615	0.3
390.18118	0.3
391.19669	0.5
392.06531	0.2
392.19937	0.6
393.21176	0.4
403.19363	0.5
404.20175	0.6
405.16275	0.4
405.21332	1.2
406.21674	0.9
407.22800	0.4
417.21106	0.4
418.17526	1.7
419.18597	1.3
419.22675	1.0
420.23633	2.7
421.23944	0.7
423.21838	0.3
431.18488	0.3
432.19202	1.7
433.19958	4.9
434.21164	1.5
435.22372	1.0
436.22778	0.4
437.23462	1.4
445.20248	0.6
446.20905	1.0
447.21707	4.4
448.22690	2.3
449.19406	3.2
450.16412	0.5
451.25363	2.3
452.25876	0.8
459.22260	0.4
460.22507	0.4
461.23514	0.5
463.20999	3.8
464.22046	2.8
465.22787	3.4
467.24576	0.3
477.22787	2.9
478.23697	7.3
479.24561	8.9
480.24625	0.3
491.24677	2.3
492.25040	0.7
493.26303	0.3
495.24316	0.6
505.26505	1.4
506.27258	0.6
509.25299	0.3
510.26340	0.8
519.24084	0.7
521.25476	0.3
523.22980	2.2
533.25763	0.4
534.26660	1.0
535.26672	0.8
537.25348	1.9
550.25824	0.3
551.26636	0.6
565.28278	27.4
566.28644	0.8
593.28204	1.0
594.28473	0.8
596.26257	0.7
597.31042	0.9
625.30225	100.0
626.30688	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10030	2.0
55.01866	2.9
55.05528	11.4
57.03444	4.2
65.87707	2.1
67.05508	29.7
69.07084	12.8
71.04991	4.6
71.54742	3.0
77.60709	2.0
79.05499	21.7
81.03420	5.5
81.07067	29.1
83.04978	3.7
83.08628	6.6
91.05487	29.9
93.07044	27.8
95.04974	5.3
95.08622	19.5
97.06534	5.5
97.10172	4.5
105.07047	30.9
107.04951	4.4
107.08592	15.0
107.64886	2.7
109.06523	5.4
109.10167	10.0
117.07013	15.9
119.08590	19.5
121.06505	3.6
121.10182	11.3
123.11703	2.4
129.06985	9.1
131.08585	27.4
133.10168	11.2
135.11752	3.6
141.06961	4.3
143.08574	12.9
145.06522	2.5
145.10153	16.4
147.08020	3.4
147.11714	4.6
149.09627	2.6
149.13322	2.9
155.08594	3.4
157.10129	10.3
159.11703	6.3
169.10112	5.8
171.11705	8.3
173.13205	2.6
181.10106	3.6
183.11734	2.9
185.13300	2.6
195.11833	3.7
197.13254	3.7
199.14771	2.9
223.14783	2.6
343.26505	3.4
353.24683	9.4
364.40356	2.6
371.25751	13.2
389.26868	14.0
445.29529	100.0
463.30743	45.0
607.43140	3.8
625.32208	14.8
625.44891	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	627.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01875	0.4
56.96568	0.2
57.03426	0.7
61.02935	1.3
65.62931	0.2
68.99792	0.4
69.03432	2.4
69.66151	0.8
69.66558	0.4
70.51515	0.2
71.05001	0.3
71.85274	0.2
73.02903	0.4
81.03428	1.4
83.01359	0.2
85.02911	7.2
87.04474	0.3
88.27483	0.2
93.03407	0.2
93.07045	0.3
93.71933	0.1
95.04944	0.4
97.02897	2.4
98.21490	0.3
98.97607	1.1
99.04483	0.4
104.74991	0.2
105.07048	0.3
109.02869	0.9
109.06507	0.2
110.97528	0.2
111.00830	0.8
116.98603	0.2
120.08076	0.2
121.02871	1.1
121.06501	0.2
121.55695	0.1
123.04428	0.3
127.03920	1.6
133.06448	0.2
135.04402	0.2
135.08125	0.2
137.02342	2.5
138.09114	0.4
145.04950	1.3
145.06149	0.2
149.02295	0.3
149.05969	0.2
153.01834	3.1
155.61162	0.2
158.99652	0.2
161.06006	0.6
163.03914	0.6
165.01859	1.8
166.02599	0.3
167.07043	0.2
173.05927	0.2
177.05568	0.3
183.02951	0.8
187.03961	0.3
191.03284	0.2
195.82700	0.2
201.05531	1.1
219.06595	0.3
221.07802	0.2
229.04994	3.7
247.06068	0.7
253.13583	0.2
257.04474	2.7
274.04895	0.9
285.03931	1.3
291.95303	0.2
303.05002	100.0
304.05371	1.1
331.75012	0.2
417.13785	0.3
424.18579	2.3
424.68427	0.4
426.13596	0.3
431.10370	0.2
441.15585	0.3
465.10318	9.3
465.17346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1555
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03930	0.2
55.05512	0.1
63.02362	0.1
67.01862	0.7
67.05506	0.1
68.99784	0.6
69.03429	0.3
69.07056	0.1
71.05003	0.1
71.57012	0.1
78.04706	0.2
79.05479	0.2
81.03423	1.5
81.07049	0.2
85.02905	0.4
89.03915	2.2
91.05486	0.3
93.07047	0.2
95.04967	0.2
95.08629	0.1
97.10165	0.2
98.97583	0.1
99.04426	0.1
105.07007	0.1
107.04959	0.1
107.08568	0.2
109.02876	0.6
109.10137	0.1
111.00819	0.2
111.04491	0.1
114.00738	0.1
117.03386	6.1
119.04917	0.1
122.52444	0.1
127.03908	0.2
129.01807	0.2
134.03612	0.5
135.04422	2.1
137.02390	0.7
145.02850	14.9
147.04442	0.2
149.02264	0.1
149.05991	1.8
153.01836	6.3
158.05952	0.1
161.02339	1.1
162.03127	0.1
163.03926	0.2
171.02914	1.1
171.04401	0.1
177.05475	36.7
178.05852	0.2
179.03409	0.4
181.04945	0.1
185.05988	0.1
186.05464	0.5
189.05450	0.1
195.06529	0.3
201.05550	0.2
203.03362	0.2
213.05472	0.1
218.05751	0.1
219.06490	0.3
231.06662	0.1
241.04939	0.9
245.04433	0.3
263.05554	0.2
269.04416	0.4
286.04684	0.2
287.05505	100.0
288.05801	0.9
301.07053	0.3
321.09717	2.4
329.06573	0.1
339.10803	1.6
390.03165	0.1
416.14542	0.1
465.28598	0.1
625.15259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1768
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03937	0.2
55.01867	0.3
55.05513	0.2
57.03438	1.9
59.05006	0.1
61.02934	0.5
68.96132	0.1
69.03436	1.3
70.73186	0.2
70.73531	0.2
71.04995	9.9
73.02919	0.4
75.04480	0.4
81.03413	0.6
83.04990	0.6
85.02908	14.5
86.43955	0.1
87.04480	0.5
90.68322	0.1
91.03934	0.2
92.02640	0.4
92.57105	0.1
93.03407	0.6
97.02901	1.2
99.04458	0.2
99.97456	0.1
107.04984	0.2
109.02880	0.5
111.04446	0.4
121.02866	0.7
126.03169	0.2
127.03912	0.7
129.05481	3.2
139.03894	0.8
145.05005	0.7
147.06538	0.8
151.03908	0.5
151.90965	0.1
153.01836	4.5
164.66055	0.1
165.01842	0.4
177.05527	0.2
183.02994	0.1
201.05536	0.5
203.03384	0.2
217.04993	0.4
218.05739	0.3
228.04195	1.0
229.04962	2.3
229.07045	0.2
231.02927	0.2
245.04509	0.7
246.05270	1.1
256.03647	0.3
257.04483	1.8
260.03156	0.3
261.07547	0.2
271.06110	0.3
273.03912	1.1
274.04715	3.5
284.03113	0.3
285.03952	3.7
287.02090	0.2
288.06247	0.1
302.04214	10.1
303.04630	0.2
317.06555	100.0
318.06808	1.1
329.06409	0.2
359.07578	0.2
418.93134	0.1
479.11835	0.4
625.22461	0.2
625.45081	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	625.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93530	0.4
55.01883	0.4
55.05509	1.0
57.07058	0.5
67.05517	2.9
69.07061	1.0
69.97763	0.9
69.98167	1.3
71.08634	0.4
79.05508	2.3
81.03435	0.4
81.07066	2.4
83.04989	0.8
83.08614	0.6
85.06521	0.8
86.76960	0.3
91.05488	1.8
93.06541	0.3
93.07045	2.3
95.04979	0.9
95.08588	2.2
97.10159	0.4
105.07034	1.6
105.64714	0.4
107.04956	0.6
107.08612	1.3
109.06529	0.8
109.10168	0.8
117.07027	0.6
119.08611	1.9
121.10183	0.7
131.08591	1.1
133.10147	0.8
135.08081	0.9
135.11723	0.5
143.08572	0.4
145.10144	1.2
157.10094	0.5
161.09677	0.5
171.11671	0.6
187.60529	0.4
192.66472	0.4
211.15079	0.4
273.18488	1.9
291.19601	2.1
335.25842	0.5
347.22061	0.5
377.17667	0.5
379.19125	0.7
391.19409	1.5
392.20166	0.8
393.20920	1.1
404.20343	0.6
405.17108	1.7
405.21048	1.6
406.17798	0.7
407.22614	4.9
418.17471	0.5
419.18018	3.0
420.19113	1.9
421.20468	2.3
431.18564	1.0
433.19983	5.1
434.20941	3.3
435.21924	7.1
436.22913	0.4
445.20224	0.9
446.21063	0.6
447.21915	2.4
448.23251	0.5
449.19589	2.4
451.25024	1.4
452.25800	0.6
460.22244	0.7
461.23395	1.8
463.20822	2.3
464.22247	1.1
465.23083	1.8
477.22595	2.1
478.23514	4.8
479.24808	4.6
491.24323	1.2
493.22525	0.6
505.25757	0.6
507.24698	0.4
521.25525	10.6
523.23553	1.6
527.37292	1.1
537.25812	0.9
538.24908	0.4
547.27014	1.7
565.28137	19.5
566.28162	0.6
581.27283	3.0
597.30823	0.6
607.29883	1.0
607.43237	0.9
625.30231	100.0
625.44678	2.9
626.30591	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88105	1.4
53.03946	9.8
55.01884	7.1
55.05268	2.2
55.05514	29.3
56.96535	1.6
57.03447	11.8
61.02925	1.8
65.03938	4.8
67.05511	50.1
69.03438	18.6
69.06731	1.5
69.07072	17.9
69.38842	4.7
69.39272	5.3
71.01361	2.0
71.05006	8.7
71.49532	1.2
73.02900	3.2
77.03956	1.3
79.05499	43.1
81.03423	100.0
81.07062	66.3
83.04986	20.2
83.08627	22.0
85.02914	23.1
85.06518	3.1
91.05486	48.4
93.07050	48.7
95.04976	25.4
95.08612	22.9
97.02899	21.8
97.06541	12.7
97.10172	7.3
98.07166	1.4
99.04430	6.3
99.08099	3.5
101.02364	1.5
103.05494	2.7
105.07030	30.3
107.04967	9.1
107.08607	20.8
108.01517	1.4
109.02889	19.9
109.06548	7.3
109.10154	7.0
111.04444	12.4
111.08082	10.7
113.05986	1.8
115.05447	1.8
117.07038	14.2
119.04933	1.7
119.08581	22.3
121.06538	6.8
121.10156	17.3
123.04462	4.2
123.08063	4.6
123.11703	4.5
124.73389	1.4
125.09623	5.1
127.03937	9.5
128.06219	2.1
129.05522	2.7
129.07019	12.7
131.04927	3.1
131.08577	20.6
133.06532	7.2
133.10138	13.9
135.08035	4.5
135.11707	7.4
137.05937	1.3
137.09644	2.4
141.06961	3.1
142.07799	2.3
143.08574	5.2
145.06494	5.4
145.10123	7.3
147.04358	1.6
147.08022	5.4
147.11694	17.0
149.06009	2.3
149.09637	5.6
149.13275	12.5
153.12718	1.3
155.08600	2.6
157.06467	1.7
157.10138	13.2
159.08104	1.9
159.11752	7.9
161.09612	1.8
163.11247	4.9
165.12775	5.7
169.10139	2.4
171.11646	3.0
173.04462	4.9
173.05902	2.1
173.09666	2.2
173.13297	1.4
175.07613	1.6
175.11168	12.7
177.12779	4.0
181.10106	2.4
181.12280	3.4
183.11676	2.2
189.11208	2.8
189.12732	1.7
191.10712	2.5
193.12253	28.0
195.12173	1.4
195.13820	8.3
197.13266	1.5
199.06064	1.5
199.11258	2.1
199.14807	1.5
203.14317	1.2
209.13409	1.6
211.13281	38.8
213.14835	1.7
227.12816	4.6
229.14359	2.4
235.13387	3.4
249.14908	3.0
259.13446	2.0
261.14996	1.6
265.14499	1.6
267.15912	15.3
269.17523	13.6
273.14957	4.7
275.16602	3.6
277.14456	1.6
283.15570	1.5
285.17212	7.5
301.14206	2.3
303.16000	3.7
309.17221	1.8
321.16888	4.0
337.16351	2.5
338.92752	1.4
339.17905	6.6
341.24683	2.2
351.23410	2.2
355.17633	4.2
369.24500	4.4
377.19739	3.7
387.25150	3.2
395.20490	7.1
411.20233	5.3
413.21539	2.1
417.26550	2.6
443.27930	7.7
461.29050	34.4
479.30011	18.7
503.30179	1.9
511.06757	1.4
526.24500	1.4
527.30115	2.3
545.31390	2.3
569.31073	4.1
587.31995	5.2
605.33124	15.8
623.34259	96.7
624.34674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25260	0.4
55.05486	0.7
56.96565	24.6
57.50409	0.3
58.25861	0.3
67.05482	1.0
69.07062	0.3
70.33815	1.3
71.95267	3.7
72.96021	0.8
74.97602	0.7
79.05495	15.5
81.03439	0.5
81.07027	1.2
84.96037	1.8
91.05492	2.6
93.07058	0.6
95.04920	0.7
95.08565	0.7
97.96779	1.2
98.97591	2.8
103.00694	1.3
105.00126	1.2
105.07021	2.2
107.08601	2.9
110.97574	4.5
112.99174	0.5
113.59797	0.4
115.00684	1.5
115.97843	0.5
116.98588	1.5
119.08525	0.4
121.01742	0.4
123.01205	0.7
124.99105	0.5
127.00671	0.6
128.98615	5.0
129.02246	0.9
131.00143	0.8
131.08559	0.4
133.01686	0.8
133.10101	0.6
134.99663	0.4
137.02736	1.0
139.00684	0.8
141.02217	1.2
143.00119	1.1
143.03752	0.4
145.01712	0.4
146.99637	2.5
147.03230	0.6
149.01224	0.5
149.02332	1.0
151.00636	0.6
153.02174	1.1
155.03755	2.0
157.01738	0.7
159.03325	0.8
161.01271	0.9
161.13237	0.4
165.02147	0.9
167.03789	0.9
169.01797	0.9
169.05359	0.7
171.03293	3.5
173.04875	4.3
175.02789	1.0
179.02295	0.6
181.01709	0.5
181.05315	0.9
183.03300	0.9
183.06889	0.8
184.04027	1.2
185.01190	0.7
185.04840	3.1
187.02768	0.9
189.04300	2.2
191.05864	2.1
193.05278	0.5
194.04967	0.6
195.03313	0.8
195.06966	0.7
196.06490	0.7
197.04922	0.7
197.08549	1.3
199.02788	1.0
199.06413	4.9
200.03572	0.6
200.20486	0.4
201.04364	0.7
201.08018	2.6
202.05084	0.9
203.05930	4.1
205.05446	0.8
205.07460	0.6
207.03275	1.9
209.04909	0.6
213.04370	0.5
213.07957	0.6
215.09468	0.9
217.07472	3.7
219.09010	1.3
222.08000	0.5
223.02817	0.8
223.06479	0.8
223.08414	0.5
225.04372	4.3
225.07941	2.2
227.05904	1.7
227.09464	0.4
229.07466	3.0
231.09048	0.5
235.06505	0.5
237.04314	0.7
237.07922	0.9
239.05893	0.5
241.07458	0.7
243.05330	0.6
243.09047	13.4
245.06902	0.5
247.08426	1.9
251.09689	0.6
252.09085	0.5
253.07483	1.6
255.09030	4.3
261.10095	6.6
265.11343	0.5
266.10605	2.1
267.09036	0.6
268.09875	3.0
269.10602	0.5
269.60577	0.4
270.98627	1.1
271.08282	0.5
273.10144	0.7
280.10049	0.6
281.10529	2.9
283.11972	0.6
284.11768	0.7
286.10883	1.3
299.11591	1.5
301.11176	0.5
304.12189	0.5
305.10721	0.6
307.15598	0.6
313.14636	2.2
319.12216	1.0
329.14398	1.9
331.15796	100.0
332.16223	0.6
343.81403	0.4
347.15231	1.3
349.16870	77.0
350.17285	0.6
354.17407	1.0
367.18002	4.3
370.17145	0.4
372.18481	23.3
373.18976	0.8
390.19269	0.8
477.27820	1.0
623.24957	8.5
623.36096	94.9
624.36670	1.6
651.50690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.50961	0.2
61.02919	0.2
65.03920	0.2
65.06592	0.1
67.01873	0.3
68.35747	0.1
68.99798	0.3
69.03432	1.0
70.06596	0.2
70.91422	0.4
81.03408	0.2
85.02916	1.5
85.06545	0.2
87.04462	0.5
91.05483	4.2
92.05800	0.5
97.02888	0.6
98.97582	0.6
99.04429	0.2
105.07044	0.2
107.04952	0.3
109.02901	0.2
115.03927	0.6
116.98668	0.2
127.03915	0.6
133.04970	0.5
135.04440	0.9
137.02341	0.4
143.00156	0.2
145.04977	0.5
153.01839	2.7
154.97917	0.4
161.02423	0.3
171.02861	0.2
172.98958	0.3
177.00804	0.2
204.62042	0.2
217.54794	0.2
219.01750	0.4
237.02818	0.2
241.04930	0.3
269.04407	0.3
287.05511	100.0
288.05872	0.7
299.05807	0.3
300.05981	0.2
301.07068	0.4
325.03876	0.2
327.07565	0.5
423.13528	0.3
423.63940	0.5
424.17230	1.2
427.12753	0.5
441.10522	0.2
443.10474	0.6
444.10287	0.3
445.10226	0.4
449.10822	12.4
457.07806	0.2
463.08710	9.5
625.13971	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1402
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
55.28750	0.1
67.01839	0.2
68.99776	0.1
69.03421	0.2
69.77913	0.5
85.02889	0.2
95.59748	0.1
97.02866	0.1
97.68028	0.1
98.21487	0.1
108.04654	0.1
111.02931	0.1
124.15981	0.1
135.04437	0.9
137.02309	0.3
153.01822	2.7
161.02327	0.2
171.02919	0.2
179.03433	0.1
189.05525	0.1
241.04895	0.3
259.06009	0.1
269.04294	0.2
286.04745	0.4
287.05496	100.0
288.05832	0.8
301.07071	0.6
361.07022	0.1
370.18185	0.1
449.10809	32.0
450.10910	0.4
463.08304	0.6
625.13995	9.4
626.14081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	10.5
54.91491	2.1
55.01870	6.1
55.05514	20.7
57.03439	10.5
61.02930	2.5
65.03934	4.0
66.41793	1.6
67.05510	48.9
69.03436	20.4
69.07075	15.2
71.04626	1.5
71.04998	8.6
79.05499	42.6
81.03425	99.1
81.06587	3.0
81.07062	61.2
83.04993	20.0
83.08629	21.9
85.02920	18.7
85.06547	3.6
91.05483	40.2
91.06021	3.2
93.07051	41.6
95.04980	24.9
95.08619	21.7
97.02902	16.5
97.06521	9.5
97.10146	7.1
99.04471	7.4
99.08082	2.2
100.56269	1.8
101.02345	2.1
105.07035	29.5
107.04954	10.1
107.08607	24.2
109.02872	18.2
109.06545	6.1
109.10181	6.2
110.92850	1.4
111.04443	12.6
111.08082	9.3
113.06029	2.2
115.05462	2.1
117.07027	13.5
119.04955	3.3
119.08591	20.2
121.06535	6.9
121.10139	17.5
123.04449	3.5
123.08109	4.3
123.11732	5.8
125.05927	1.5
125.09647	6.5
127.03907	10.5
128.06302	1.7
129.05496	1.6
129.07013	13.2
131.04962	2.7
131.08578	18.2
133.06511	4.8
133.10143	12.7
135.08086	2.4
135.11717	5.8
135.14977	1.5
137.09627	3.4
142.07767	2.1
143.08560	4.4
145.06424	2.6
145.10159	5.2
147.04514	1.6
147.08037	3.3
147.11710	17.2
149.06020	2.5
149.09621	8.5
149.13272	8.3
153.06993	1.5
153.09157	1.8
155.08543	3.5
157.06552	1.8
157.10130	9.5
159.11746	7.9
161.09641	2.8
163.11176	3.4
165.12811	6.7
169.10124	3.8
171.08136	3.4
173.04474	3.9
173.09518	1.8
175.11168	11.5
177.12772	5.9
181.10074	2.4
183.11591	2.0
185.13268	2.1
191.10730	2.1
193.12245	30.5
195.13820	9.4
197.13341	2.2
209.13512	1.7
211.11414	1.9
211.13301	47.1
211.15256	2.6
213.14795	2.5
221.13383	1.6
227.12840	7.0
229.14304	2.3
235.13222	1.6
235.16951	1.8
249.14934	2.0
267.16006	18.2
269.17471	14.2
273.14990	2.3
275.16354	2.7
283.15686	2.7
285.17191	7.8
301.14462	2.4
303.15897	2.3
321.17130	2.8
337.16696	2.3
339.18005	8.8
355.17664	4.9
369.24454	2.8
377.19626	2.1
387.25351	2.6
393.19131	1.9
395.20676	7.3
411.20248	3.6
413.21506	1.9
435.27328	2.6
443.28012	10.7
461.22714	2.2
461.28986	29.0
479.30054	18.5
495.29483	1.9
503.30060	4.1
527.30066	2.4
545.31677	2.4
569.31012	3.4
587.32214	5.3
605.33228	12.4
623.34344	100.0
624.34668	2.6
624.81781	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05504	0.5
67.05526	0.6
71.14725	0.3
79.05486	0.7
81.07062	0.9
81.89490	0.2
88.54527	0.2
91.05472	0.8
93.07053	1.1
95.04999	0.4
95.08615	0.5
98.41236	0.2
105.07012	0.4
106.06573	0.3
107.08620	0.6
115.17410	0.2
119.08589	0.6
120.08099	0.3
121.10159	0.3
123.46642	0.2
137.67590	0.2
159.11722	0.3
173.09634	0.3
204.06541	0.3
209.10721	0.5
210.11502	0.3
211.08607	0.3
221.10780	0.4
237.10233	0.6
249.10309	0.4
275.20227	0.3
277.10046	0.3
283.14584	0.3
328.14429	0.3
340.14539	0.3
377.17523	0.7
384.00610	0.2
388.17270	0.3
389.17859	0.8
389.56488	0.3
390.18527	0.4
391.19138	2.2
392.19714	0.2
393.20944	0.5
402.18582	0.4
403.15109	0.6
403.19461	0.9
404.15833	0.5
404.20181	0.7
405.16339	0.5
405.21301	2.1
406.21539	1.0
407.22305	0.8
416.20285	0.5
417.15982	1.2
417.21802	1.3
418.17245	1.3
419.18549	2.2
419.22525	2.1
420.19250	0.4
421.24155	2.2
428.16000	0.4
429.17133	0.9
430.17804	0.4
431.18304	0.9
431.22620	1.2
432.19351	1.5
433.20148	3.4
434.21213	1.1
435.21884	1.5
443.18646	0.6
444.19843	0.5
445.20364	2.6
446.21161	1.6
447.17166	0.8
447.22800	2.9
448.23129	1.6
449.23489	4.3
450.24060	0.6
457.20291	0.4
458.21185	0.9
459.22043	2.0
460.22638	0.5
461.18799	2.3
462.20676	0.7
463.21075	1.9
475.20563	1.9
476.21945	5.2
477.22971	4.2
486.24252	0.3
489.23169	2.0
490.23730	0.6
493.22250	0.3
493.37292	0.3
503.24088	0.9
504.25348	0.4
505.22211	0.5
507.24664	0.4
517.22742	0.3
519.24097	1.2
521.22272	1.2
522.26080	0.3
523.25604	0.3
532.24530	0.4
533.25604	3.1
535.27417	4.3
545.25183	1.7
548.23962	0.4
549.25208	0.3
563.26501	19.7
564.26923	0.5
574.01715	0.3
591.26056	0.7
593.27399	0.6
595.28967	0.7
605.27771	2.7
606.28192	0.7
623.28638	100.0
624.28888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01872	6.8
55.05269	1.8
55.05515	23.0
56.44982	1.1
56.96600	1.2
57.03444	11.0
61.02925	3.0
65.03933	2.6
67.05506	54.7
69.03430	17.4
69.07067	15.9
70.59184	3.8
71.01361	1.8
71.04978	6.7
73.02903	2.9
78.63960	1.1
79.05497	43.3
81.03420	87.7
81.07056	66.6
83.04979	22.5
83.08615	20.7
85.02908	18.3
85.06543	4.5
91.05480	39.9
93.07043	48.6
95.04960	21.7
95.08604	20.7
97.02892	16.1
97.06535	12.0
97.10175	7.7
99.04467	6.9
99.08123	2.0
105.04557	1.7
105.07030	24.2
105.07687	1.9
107.04941	7.7
107.08598	25.5
109.02884	17.2
109.06542	4.8
109.10185	7.7
111.04446	14.1
111.08082	12.0
115.05482	1.9
117.07016	11.3
119.08578	17.0
121.06509	5.2
121.10147	17.7
123.04443	3.2
123.08102	2.5
123.11716	4.0
125.09638	6.1
127.03930	7.4
128.06236	2.0
128.10222	1.2
129.06999	8.9
131.04936	2.0
131.08571	18.5
133.06499	3.9
133.10121	10.9
135.08054	3.6
135.11703	10.4
137.09657	2.1
139.11340	1.1
142.07826	1.3
143.08589	3.3
145.06497	3.3
145.10139	5.0
146.44263	1.3
147.04443	1.7
147.08066	5.4
147.11671	12.0
149.05962	1.4
149.09631	3.8
149.13246	14.9
151.11241	1.6
153.12776	2.7
154.77054	1.3
155.08554	3.0
157.10130	9.0
159.11674	8.3
163.11220	5.4
165.12796	5.7
169.10147	2.4
171.08020	1.9
171.11711	2.1
173.04486	2.2
175.11189	9.6
177.12790	4.9
181.10193	1.3
181.12248	5.0
189.11234	2.3
189.12846	1.6
191.10707	3.7
193.12254	24.7
195.13823	8.5
211.13283	44.0
217.15944	1.7
227.12828	5.8
249.14857	2.7
251.16487	2.5
257.15268	1.4
261.14896	1.8
267.15952	6.4
269.17477	12.1
285.17151	2.7
293.10410	1.5
301.14249	3.0
303.15842	1.6
337.16507	4.3
339.18195	4.0
351.23169	1.8
355.17526	8.8
369.24417	4.7
375.18100	1.7
387.25290	3.0
393.19006	2.4
395.20795	4.9
405.26196	1.7
411.20355	5.4
435.27371	2.1
443.28046	6.9
461.28903	27.2
479.30051	14.5
495.29373	1.3
503.29767	2.8
527.30316	1.7
545.30713	2.7
569.31354	2.9
575.31897	1.6
587.31989	1.8
605.33368	9.3
623.34296	100.0
624.34937	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
54.46121	1.3
55.01870	5.6
55.05518	16.0
56.96564	2.0
57.03439	5.7
57.40300	1.1
61.02933	22.7
65.03934	2.0
67.05508	45.9
69.03436	11.4
69.06730	1.5
69.07073	16.3
69.18516	12.0
69.39207	1.3
71.04994	3.8
73.02918	7.3
75.92887	1.5
76.88255	1.5
77.16943	1.1
79.05504	30.7
81.03423	17.0
81.07064	45.1
81.07533	3.0
83.04987	6.6
83.08624	12.3
84.91351	1.1
85.02911	19.3
85.06553	2.6
88.15952	1.1
91.03972	9.1
91.05487	39.4
93.07052	30.0
95.04960	10.5
95.08612	24.3
97.02899	14.4
97.06530	5.8
97.10187	5.9
98.97623	1.6
99.04469	2.7
99.08066	1.5
100.11260	1.3
103.05474	3.2
105.07039	35.7
107.04946	8.7
107.08590	14.9
109.02895	5.3
109.06510	6.4
109.10157	10.7
111.04460	3.1
111.08100	5.4
115.05453	4.0
116.06256	1.5
117.07030	24.8
119.08595	20.4
119.09383	2.2
121.06496	6.4
121.10139	10.6
123.04427	3.0
123.08089	5.5
123.11720	3.0
125.09657	3.0
127.03926	5.6
128.06219	6.8
129.07010	30.3
129.07922	2.3
130.07773	1.6
131.04953	2.9
131.08574	32.9
133.06502	5.0
133.10150	13.5
135.08078	5.4
135.11688	6.6
137.09676	3.4
139.11176	2.3
141.06995	12.2
142.07787	3.0
143.08577	20.1
145.05002	1.5
145.06505	6.3
145.10133	15.9
147.04446	1.8
147.08069	5.4
147.11702	6.3
149.09639	5.2
149.13268	4.1
151.11221	2.7
153.06981	2.2
154.07814	1.9
155.08560	19.9
156.09302	1.5
157.06512	3.7
157.10146	15.7
159.08087	4.5
159.11708	9.9
161.09674	2.9
161.13263	2.3
163.11230	4.5
165.07071	2.5
165.09077	1.6
165.12723	1.4
166.07845	1.7
167.08572	8.9
169.10139	13.8
171.08058	3.4
171.11707	9.6
173.09587	3.0
173.13260	2.7
174.44679	1.4
175.11220	3.7
175.14775	1.8
177.12759	4.2
179.08582	4.4
181.10101	10.8
183.11674	9.2
185.09686	2.9
185.13281	6.5
187.11211	2.0
187.14799	2.7
191.10663	1.5
192.09425	1.2
193.10188	3.6
193.12297	4.1
195.11723	11.2
195.13574	2.4
197.13292	8.8
199.11421	1.9
199.14867	3.0
201.12868	1.7
203.14355	2.1
205.12138	1.2
207.11749	4.3
209.13287	7.8
211.11261	2.8
211.13298	5.0
211.14885	3.8
212.62579	1.5
213.12769	2.9
213.16330	1.9
215.14333	7.2
217.12302	2.6
217.15926	2.4
219.11751	1.7
221.13399	7.1
221.15187	1.3
223.14919	6.0
225.16298	2.4
227.14484	2.2
231.13860	2.4
233.13326	2.1
235.14774	4.2
239.14357	5.4
241.15991	2.3
243.13762	2.0
245.15489	1.4
249.16467	2.3
253.15919	4.4
257.15405	5.2
267.09149	1.4
267.17499	1.5
271.16907	3.9
275.16379	2.0
285.09970	1.4
289.18109	1.7
323.23642	5.6
333.22144	13.9
341.24719	7.2
351.23239	40.1
369.24277	28.5
387.25339	16.6
425.26733	6.3
433.29202	2.5
443.27982	100.0
444.28134	2.1
447.27014	1.7
461.29010	73.4
479.30167	3.0
485.28720	2.0
587.31958	1.9
605.32947	4.0
623.34009	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15120	0.5
55.05496	1.1
63.75328	0.6
67.05496	1.4
69.07061	1.0
79.05486	1.6
81.07066	1.9
83.08646	0.6
85.25316	0.6
91.05478	1.9
93.07056	1.3
95.08614	1.4
105.07008	1.0
107.08581	0.6
112.78360	0.5
119.08591	1.8
121.06511	1.0
133.10139	0.8
159.08051	0.7
187.13179	0.7
364.17896	0.6
383.37177	0.7
389.17606	0.7
391.19409	1.5
405.20908	2.3
406.21548	2.4
407.22549	1.6
417.17102	1.1
418.17862	2.0
419.18002	4.2
420.23523	4.2
421.23944	2.5
432.19678	1.8
433.20178	8.7
434.20917	2.5
445.20279	0.9
446.21097	1.1
447.21982	5.0
448.22775	5.7
449.23477	3.6
461.19855	0.7
462.20432	1.3
463.21326	2.1
465.23093	0.6
466.78690	0.7
475.21234	0.9
476.21994	5.8
477.23065	6.2
489.22644	1.4
503.24384	1.3
519.23718	1.0
521.21936	1.3
534.26501	2.9
535.27710	4.9
563.26532	24.4
563.35284	1.4
594.28174	2.0
595.29254	1.2
623.28674	100.0
624.28882	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
67.05508	0.8
69.07088	0.4
76.90526	0.2
79.05493	0.8
81.03454	0.3
81.07064	0.7
83.08611	0.2
91.05488	0.7
93.07059	0.9
95.08601	0.6
97.06539	0.2
105.07027	0.6
107.08601	0.2
109.10175	0.3
116.69662	0.2
117.07040	0.2
119.08594	0.4
128.53871	0.2
129.07021	0.4
131.08612	0.4
133.10159	0.4
145.10057	0.3
208.10022	0.2
209.13327	0.2
235.12268	0.3
241.00003	0.2
245.10989	0.2
275.20032	0.3
302.76364	0.2
324.15045	0.2
375.16299	0.4
376.17319	0.3
377.48624	0.2
387.16412	0.3
388.16913	0.4
389.17502	1.4
390.18530	0.7
391.19312	0.5
399.16058	0.2
400.16763	0.2
401.17889	0.9
402.18567	0.6
403.19357	1.8
404.20255	0.9
405.20883	1.2
415.19266	0.8
416.20584	1.0
417.17044	1.6
417.20987	1.9
418.21747	0.7
419.22467	5.5
420.23444	0.3
428.16019	0.3
429.16306	1.0
429.21997	0.4
430.17636	0.6
430.22153	0.6
431.18671	2.9
431.22818	2.3
432.18982	1.9
433.20059	2.6
434.21371	0.3
435.21915	0.6
442.17905	0.3
443.18481	3.4
444.19278	1.2
445.20203	9.5
446.21024	4.7
446.26587	0.3
447.22220	5.3
448.18417	0.4
449.23801	1.8
450.24368	0.4
457.20197	1.5
458.21118	1.0
459.22119	3.5
460.22485	0.7
461.19125	1.3
462.20325	1.5
463.21353	2.2
471.22150	0.2
473.23749	0.9
475.20865	1.6
476.22028	5.2
477.22919	6.3
478.23383	0.5
488.22018	0.2
489.23077	1.6
490.23715	0.5
491.20267	0.3
491.25034	0.3
503.25229	1.2
505.22464	0.9
505.26797	0.3
508.24844	0.5
513.23260	0.3
517.22650	0.3
518.22748	0.3
519.24078	0.3
521.21222	1.0
522.26416	0.2
531.24054	0.4
532.24396	0.4
533.25513	15.5
535.23981	0.8
545.25519	1.2
548.23877	0.2
549.25031	0.3
561.25775	0.3
563.26593	18.8
564.27258	0.4
565.28265	0.3
590.25226	0.4
591.26379	0.5
592.26526	0.5
593.27551	4.1
594.24371	0.4
595.29120	0.4
605.27448	1.4
623.28674	100.0
624.28888	1.8
641.17700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69289	0.6
70.69650	0.4
76.44228	0.3
102.43169	0.2
105.07089	0.3
220.58307	0.3
223.12497	0.4
371.43314	0.3
387.16779	0.3
389.17639	0.7
390.18622	0.6
391.19281	0.8
392.20010	0.3
401.17905	0.4
402.18704	0.6
403.19388	1.7
404.20132	0.9
405.21176	1.6
406.21533	0.3
407.22476	1.3
414.18533	0.4
415.19263	1.0
416.20300	0.6
417.17007	1.3
417.20993	1.5
418.17767	1.0
418.22534	0.3
419.17798	0.4
419.22739	3.9
420.23120	1.0
421.23892	0.3
429.21051	1.0
430.17099	1.3
430.22772	0.5
431.17902	2.7
432.19037	0.8
432.23584	0.8
433.20197	6.4
434.20786	0.6
435.21921	0.7
443.17740	1.5
444.18851	1.8
445.19885	4.5
446.21191	2.7
447.21979	4.7
448.22507	1.2
457.20367	0.6
458.21017	6.3
458.26746	0.5
459.21759	6.0
460.22919	4.2
461.19516	0.7
462.20444	0.4
463.21240	1.9
471.22037	0.5
472.22986	0.4
473.23502	1.1
475.21338	1.0
476.21909	1.1
477.23093	1.9
485.24057	0.4
486.23880	0.5
487.25198	0.6
489.18887	0.6
490.23874	0.4
491.24533	0.4
499.20554	0.3
503.25113	0.4
504.25092	0.8
505.22552	0.9
517.22986	1.2
518.22992	4.6
519.23853	0.9
521.21210	1.3
531.23517	0.9
532.24603	0.7
533.25507	8.7
535.26477	1.6
545.25586	2.9
546.26306	1.0
563.26563	6.7
564.26910	0.3
573.25073	1.5
577.28345	0.5
590.25763	0.5
591.25665	0.4
605.27606	12.2
606.28168	0.4
623.28668	100.0
624.28937	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05508	1.6
58.13181	0.6
62.91118	0.5
67.05502	2.7
69.07071	1.0
71.54514	0.5
79.05489	1.9
81.03412	1.9
81.07048	2.6
83.04964	0.9
83.08617	1.1
86.29763	0.5
91.05517	2.7
91.05992	0.6
93.07054	1.9
95.04980	0.8
95.08605	2.2
97.10156	0.5
105.07032	1.8
106.19627	0.5
107.04945	0.7
107.08612	1.7
109.10171	1.0
117.07027	1.0
119.08608	1.9
125.09606	0.5
127.59200	0.5
129.06990	0.6
131.08618	1.3
133.10149	1.2
135.11687	0.6
143.08546	0.7
145.06514	1.0
145.10126	1.0
147.04417	0.5
147.11810	0.6
155.08664	0.7
157.10208	0.8
199.14867	0.7
209.10745	1.2
223.12375	1.1
224.09474	0.6
224.13126	1.3
225.13968	0.6
237.14014	1.0
271.16772	0.7
311.13840	0.6
338.93933	0.5
389.17319	0.7
402.18365	0.9
403.19376	2.1
403.65005	0.6
405.20810	1.2
407.63226	0.5
415.19772	0.6
417.16452	0.8
417.20874	1.6
418.17148	0.9
418.21857	1.4
419.22525	1.6
430.17664	1.4
431.18256	4.6
432.19604	1.4
433.20374	1.7
435.21973	2.1
443.18964	1.8
444.19644	1.2
445.20187	4.4
446.20782	2.7
447.22067	2.5
449.23575	2.3
450.90601	0.6
459.21805	1.8
461.19244	2.7
462.20578	2.1
463.21359	2.3
475.21573	1.9
476.22073	5.7
477.22864	6.9
489.23346	2.7
490.23904	0.7
498.13629	0.5
503.24481	1.4
505.22250	0.6
517.22137	0.6
519.24091	1.1
521.21490	1.1
533.25891	2.4
535.27301	0.8
548.24420	0.9
548.77386	0.5
563.26532	29.8
564.26959	1.1
574.56342	0.6
591.26208	2.4
595.28253	0.7
605.24664	1.6
605.41058	0.6
623.28668	100.0
623.43750	3.7
624.29102	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
67.05496	0.6
69.33149	1.6
69.33576	0.3
69.56853	0.2
73.37588	0.2
79.05489	0.5
81.07053	0.7
85.79981	0.2
91.05485	0.6
93.07029	0.3
94.59076	0.2
95.04983	0.2
95.08620	0.5
98.21452	0.4
105.07030	0.2
107.08569	0.3
117.07063	0.3
117.35671	0.2
119.08579	0.5
125.09589	0.3
133.10085	0.2
135.08131	0.2
145.06514	0.4
145.10143	0.3
209.10661	0.4
221.10748	0.3
271.16949	0.5
289.18060	0.2
298.18613	0.2
300.14935	0.2
322.14133	0.2
326.13162	0.2
373.15106	0.2
375.16089	0.6
376.17078	0.2
387.16180	0.3
388.17102	0.4
389.17673	3.2
390.18439	1.2
391.19226	2.8
401.17957	0.5
402.18411	0.7
403.19449	3.3
404.19995	1.2
405.20798	8.4
406.21405	1.1
415.19415	0.6
416.20090	0.8
417.16324	5.5
417.21246	2.0
418.17453	2.8
418.22556	0.4
419.18274	3.2
419.23718	0.2
421.20505	0.3
429.20850	0.3
430.17639	0.3
431.18332	6.4
432.19385	6.2
432.24649	0.4
433.20206	8.5
434.20874	0.7
435.22086	0.5
443.18555	0.4
444.19775	0.3
445.20590	3.1
446.21130	1.0
447.22617	0.4
449.23773	1.5
457.20874	0.3
458.21506	0.3
459.22070	1.6
460.23001	0.5
461.19339	2.5
462.20523	0.8
463.21173	1.6
464.22046	0.7
469.19473	0.3
473.20212	0.3
475.20728	1.9
476.22049	3.9
477.23544	4.3
478.23563	0.7
487.21204	0.9
489.23355	1.4
491.25357	1.2
493.22467	0.3
503.24435	0.8
504.21967	0.5
505.22543	0.4
508.24698	0.5
519.23926	24.2
520.24432	0.6
521.21716	1.0
531.24036	0.3
535.26764	0.8
545.25494	0.6
547.23322	1.0
551.26727	0.5
563.26550	15.5
564.27051	0.3
579.26038	5.4
591.25824	0.5
595.28876	0.3
608.26489	0.2
623.28638	100.0
624.28821	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
52.47701	0.6
55.05505	2.1
57.07108	0.7
67.05501	2.9
69.07040	0.7
70.85664	0.7
71.14752	0.7
79.05503	1.7
81.07070	1.6
83.08642	0.7
91.05470	1.3
93.07054	1.0
95.08636	1.8
104.21129	0.6
105.07061	0.7
106.23988	0.6
107.08604	1.1
109.10151	1.1
117.07033	2.5
119.08552	1.0
131.08604	0.7
145.06531	1.8
271.17056	3.0
335.26239	0.9
389.17969	0.7
391.19547	0.8
400.78873	0.8
404.20795	0.8
413.17807	1.1
414.18481	0.9
415.19257	2.9
416.20197	1.1
417.21487	0.9
419.17780	1.0
419.22382	2.6
427.19406	1.0
429.20847	8.3
430.21896	1.3
431.18814	2.0
433.24158	1.6
434.20917	1.4
443.22583	5.1
444.23157	2.9
445.19589	1.1
445.24698	1.2
447.21915	2.9
448.22412	1.1
449.23480	3.1
456.19470	1.3
457.19278	1.3
457.24738	1.6
458.25180	4.1
459.22150	4.4
460.23050	3.3
461.23380	3.8
462.20544	2.8
471.22107	1.7
472.22659	4.7
473.23865	3.4
474.24756	1.0
475.21332	1.7
476.21683	4.2
477.22809	4.9
485.23492	6.5
486.24265	1.9
487.25226	6.6
489.23062	1.5
503.24329	3.6
504.25333	1.3
517.26349	4.0
519.24304	1.1
520.25140	1.8
531.24030	8.7
545.25519	55.2
546.26056	3.4
563.26520	29.7
591.25989	2.6
605.27637	15.9
623.28632	100.0
624.29218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17181	0.6
72.68231	0.3
73.83396	0.3
87.91348	0.3
200.91576	0.4
209.10893	0.3
237.13931	0.4
239.15611	0.3
247.12347	0.4
324.14600	0.3
377.17691	0.6
378.18658	0.6
379.19305	0.4
388.18082	0.4
389.18466	0.6
390.18503	0.6
391.19208	2.0
392.19855	1.6
393.20831	1.0
400.17026	0.4
403.19971	0.5
404.20157	0.6
405.16577	0.3
405.20941	2.6
406.21594	2.4
407.22321	7.6
407.27396	0.4
413.17844	0.6
414.18530	1.1
415.19330	1.7
416.20087	0.6
419.22470	1.2
420.23465	1.4
421.23904	6.9
422.24576	2.0
427.19373	0.8
428.20190	1.2
429.20920	3.5
430.21790	0.6
431.18628	0.7
433.15726	0.5
433.24054	1.2
442.21820	0.7
443.22729	2.3
444.23291	1.8
445.20331	1.6
447.22537	0.9
452.22122	0.6
457.24127	1.1
458.24982	2.5
459.22119	2.7
460.23007	1.5
461.18912	3.4
462.20618	1.4
463.21347	1.1
470.21246	0.6
471.22449	0.5
472.22665	2.2
473.19290	0.7
474.20294	0.4
475.21170	5.1
476.21542	2.2
477.22525	2.6
484.19098	0.5
485.23755	4.1
486.20090	1.0
486.24637	1.1
487.21371	1.2
488.22098	1.1
489.22781	2.5
499.21259	5.1
500.22198	1.1
502.23798	0.6
503.24551	7.7
504.21600	0.5
505.22342	0.8
507.23550	0.5
508.28482	0.5
513.23035	2.0
514.23981	0.8
515.24432	0.9
517.20709	0.5
517.26056	1.5
518.23572	0.6
521.26172	0.7
529.26007	0.8
531.24451	0.7
535.27075	6.0
545.25494	24.0
558.22687	0.5
563.26501	0.9
564.27527	1.7
573.24963	6.6
577.27777	1.6
591.26221	2.2
605.17828	0.5
605.27600	15.4
623.28662	100.0
624.28900	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66329	0.2
61.49109	0.2
67.05460	0.4
67.31846	0.2
75.41536	0.2
79.05444	0.2
81.06998	0.3
87.91563	0.2
93.07001	0.3
95.08572	0.2
98.21483	0.3
119.08532	0.3
153.55167	0.2
209.10568	0.2
221.10564	0.2
223.12216	0.3
224.13052	0.2
233.10883	0.2
235.12277	0.2
236.13078	0.3
237.13756	0.2
249.13943	0.4
251.15393	0.3
273.06055	0.2
299.96359	0.3
374.16492	0.3
385.15265	0.3
386.56732	0.2
388.17838	0.2
389.18201	0.3
390.18918	0.3
391.19009	0.6
392.19257	0.2
399.16260	0.3
400.16739	0.3
401.17841	0.4
402.19083	0.4
403.19333	0.6
404.15839	0.3
404.20746	0.6
405.16452	0.3
405.21133	0.5
406.21417	0.2
412.17490	0.3
413.17941	0.9
414.18658	1.0
415.19333	2.4
416.20340	1.0
417.16489	0.4
417.21005	0.8
418.21921	0.4
419.18292	0.9
419.22287	1.3
420.23093	0.2
421.20251	0.3
427.19443	1.3
428.20016	1.2
429.20844	7.2
430.22028	1.3
431.17905	1.4
432.19354	0.6
433.19394	0.4
433.24985	1.4
434.20959	0.8
435.21597	0.6
442.21762	0.7
443.22403	4.7
444.23773	2.9
445.19470	0.6
445.23999	1.2
446.21219	0.4
447.17084	0.6
447.22739	1.9
448.22061	0.4
449.23560	1.5
455.18570	0.6
456.19467	0.8
457.19638	0.9
457.24020	1.6
458.25128	2.9
459.21677	4.4
460.22803	2.4
461.19061	1.2
461.23526	2.1
462.20386	1.8
463.21310	0.7
470.21078	0.9
470.75232	0.2
471.21814	1.0
472.22647	3.8
473.23779	2.8
474.19168	0.9
475.20599	1.3
476.21921	1.8
477.23010	3.3
485.23380	6.4
486.24100	1.7
487.25220	3.6
488.22144	0.5
489.22635	1.7
490.23358	0.3
491.20746	0.3
502.23846	0.5
503.24704	2.7
504.25143	0.4
513.22876	0.6
516.21667	0.3
517.26282	3.8
519.24207	0.9
520.24670	0.8
521.21204	1.2
531.23956	5.1
532.24799	0.4
535.25562	0.8
545.25500	49.8
546.25928	1.3
548.24048	0.6
563.26410	12.1
564.27386	0.4
573.24951	0.4
577.27960	0.8
591.26129	0.7
595.28394	0.3
605.27490	4.5
623.28595	100.0
624.28900	2.2
629.25232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
56.79116	0.2
69.32929	0.3
70.81611	0.2
70.81763	0.3
70.82115	0.4
79.05478	0.3
98.20828	0.3
156.67766	0.2
196.64597	0.3
197.67140	0.2
200.82382	0.3
208.96480	0.2
229.33952	0.3
261.14087	0.3
312.52637	0.3
350.16318	0.3
361.14835	0.3
375.16394	0.3
376.17075	0.4
377.17850	0.3
380.01889	0.3
389.18253	0.3
390.18524	1.0
391.19266	1.0
401.17944	0.4
402.18875	0.4
404.16116	0.4
404.20804	0.4
405.16333	0.4
405.20834	3.0
406.21463	0.3
415.19467	0.8
416.19995	0.5
417.21100	0.4
418.18033	0.8
419.18661	1.0
419.23154	0.7
420.23190	1.1
421.20285	0.4
428.20380	0.3
429.21024	2.2
430.21707	0.6
431.23065	0.4
432.15985	0.5
433.19937	3.3
434.20547	0.4
435.22235	0.5
443.22446	1.0
444.23468	1.3
445.23944	0.9
446.17310	0.5
447.17908	8.3
448.22830	2.5
449.23590	2.0
452.22247	0.6
457.24271	0.4
458.24780	0.7
459.21466	2.5
460.22733	1.2
461.19409	6.5
462.20554	0.9
463.21338	1.1
465.23038	0.3
470.21146	0.3
472.22556	1.3
473.23608	1.6
474.24158	0.4
475.21423	1.1
476.22113	19.9
477.22833	2.9
479.20901	1.1
485.23584	2.4
486.24265	0.6
487.25272	2.0
489.19510	0.9
491.20776	0.3
503.24762	1.5
508.24698	0.6
517.25879	1.0
518.23315	0.5
519.23621	1.2
521.22180	0.8
531.24030	3.3
532.25061	0.3
535.23523	0.4
545.25537	13.3
546.26385	0.3
547.26898	0.7
549.25067	0.3
563.26483	7.3
577.28326	0.4
591.26117	1.3
605.27826	2.1
623.28674	100.0
624.29242	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31475	0.4
67.04080	0.4
69.70860	2.9
74.23226	0.4
81.45761	0.4
95.97758	0.5
98.20779	0.9
103.66836	0.4
108.36235	0.4
142.53044	0.5
147.04001	0.4
223.12358	0.6
298.13138	0.5
329.21939	0.4
334.13062	0.6
376.16858	0.7
377.17657	1.5
378.18866	0.6
388.17978	0.9
389.18231	1.0
390.18619	1.3
391.19199	2.7
392.19901	2.7
393.20679	1.3
399.16019	0.9
400.17117	0.7
401.17474	2.4
402.18570	0.4
403.19376	1.4
404.20535	0.7
405.20782	4.4
406.21481	3.4
407.22363	10.3
413.17648	1.2
414.18616	2.0
415.19257	3.9
416.20367	0.8
417.20898	1.2
418.22150	0.7
419.22357	1.9
420.22977	1.7
421.23914	10.3
422.24716	2.5
427.19208	1.7
428.20020	2.9
429.20804	8.6
430.21756	1.9
433.20074	1.8
433.24695	1.0
441.21658	0.6
442.21597	1.3
443.22525	6.6
444.23636	3.9
445.20288	2.0
447.17462	0.9
449.23132	0.7
452.22437	0.6
455.18359	0.7
456.19565	1.3
457.23810	2.6
458.19797	0.6
458.24911	5.4
459.21912	6.5
460.22516	1.3
461.19141	3.9
462.20529	1.6
463.21161	0.9
470.21024	1.4
471.21930	1.3
472.22656	5.8
473.23184	2.0
474.20728	0.8
475.21198	5.9
476.21707	3.9
477.22650	3.6
484.18344	0.7
485.23541	11.1
486.20264	2.6
486.24475	2.1
488.22073	1.2
489.22855	2.6
493.26190	0.7
498.20566	0.7
499.21237	3.2
500.21921	2.2
501.22839	0.6
502.23718	0.8
503.24567	6.9
507.23917	1.4
508.28503	1.0
513.23022	3.4
514.23578	1.2
515.24292	1.2
517.26398	6.3
521.25836	0.7
529.26166	1.7
531.23737	0.8
535.27246	4.4
545.25500	70.0
546.25806	1.3
563.26398	0.7
564.27533	1.0
573.25043	16.7
574.25250	0.6
591.26123	0.9
605.27606	80.4
606.27954	1.7
623.28650	100.0
624.29169	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03934	2.1
55.01866	2.4
55.05514	9.6
56.96561	1.5
57.03429	3.0
57.07075	2.5
58.21953	1.0
67.05507	12.4
69.03425	6.3
69.07066	12.8
71.05001	2.2
71.18288	0.9
71.56880	1.3
79.05505	10.1
81.03425	10.8
81.07061	29.5
83.04987	2.7
83.08623	6.4
85.02895	4.1
85.06549	2.9
87.04488	1.1
91.05482	13.4
93.07055	17.8
94.09837	1.1
95.04971	5.6
95.08616	27.1
97.02882	6.1
97.06522	4.0
97.10174	5.4
99.04436	2.9
99.08080	3.1
103.05479	1.7
105.03394	1.7
105.04537	1.0
105.07038	10.5
107.04947	2.5
107.08604	17.0
109.02886	5.8
109.06525	2.6
109.10166	17.3
111.04433	2.9
111.08109	5.9
111.11742	2.3
117.07006	2.5
119.04943	5.5
119.08578	11.4
121.02882	1.7
121.06461	1.7
121.10150	12.6
121.47702	1.0
123.04410	3.0
123.08064	1.5
123.11719	10.4
125.09647	3.2
125.78691	1.0
127.03916	4.6
128.06219	1.5
129.06987	2.9
131.04936	2.0
131.08582	4.3
133.06493	1.9
133.10126	9.0
135.08034	3.0
135.11693	7.9
137.05963	2.3
137.09589	1.7
137.13249	3.7
139.11162	3.2
143.08612	2.2
145.06490	1.5
145.10138	5.2
147.04417	12.5
147.08054	1.9
147.11668	4.7
149.09615	3.2
149.13281	7.1
151.11160	2.1
151.14775	2.0
153.01828	4.7
153.12740	1.5
155.08556	1.3
157.10214	2.4
159.08125	1.1
159.11688	5.8
161.13266	5.3
163.11160	2.3
163.14836	5.4
165.09068	1.9
171.11684	2.4
173.09584	1.9
173.13248	3.0
175.14783	2.6
177.16451	1.9
185.09572	1.2
185.13239	1.5
187.14801	2.2
189.16379	2.2
191.17986	2.2
193.15913	1.7
195.11743	1.6
199.14731	1.5
215.14435	1.8
215.17967	1.3
222.37314	1.0
227.12633	1.4
229.19659	1.3
269.98770	1.0
271.06027	100.0
272.06363	3.8
277.25241	1.2
287.23615	1.5
289.25146	4.8
305.24609	1.8
307.26395	2.3
313.06851	2.9
319.26111	1.1
323.26163	1.3
379.22061	1.1
385.27435	1.8
397.27225	3.8
403.28384	2.1
413.26926	1.4
415.28412	9.4
421.29428	2.2
433.29523	16.1
439.30621	1.4
441.26358	2.9
449.28952	1.2
451.30560	14.3
459.27234	4.7
469.31451	2.5
621.32483	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	623.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.4
55.05513	5.8
56.34877	1.1
65.03925	1.4
65.49518	1.0
67.05509	11.5
69.07064	5.2
79.05152	1.0
79.05495	10.6
81.03421	8.3
81.07056	9.1
83.04955	1.1
83.08583	2.9
91.05476	9.5
93.07045	9.3
95.04937	3.3
95.08609	6.6
97.10148	2.4
98.20805	2.3
105.07039	7.5
107.04939	1.9
107.08569	4.7
109.10141	3.3
115.05428	1.2
117.06961	3.6
119.08553	4.4
121.06500	1.2
121.10114	2.4
123.08008	1.8
125.09593	2.7
129.06952	2.5
131.08540	2.8
133.10100	2.8
135.11732	1.3
141.06978	2.2
143.08521	2.2
144.44632	1.0
145.06464	2.6
145.10062	4.3
147.11696	2.6
148.14943	1.3
149.09645	1.2
155.08522	2.7
157.10091	3.2
159.11719	1.9
160.05219	1.1
169.10152	3.3
171.11693	1.2
173.05994	2.1
181.10133	1.3
183.08067	1.1
183.11713	1.9
189.11234	1.9
195.11684	1.5
197.13339	1.6
223.14998	1.2
225.01627	1.1
227.12680	1.3
271.13373	1.3
271.16809	2.2
275.20032	1.7
291.19485	1.5
324.43768	1.1
335.25693	1.7
377.17609	2.5
379.30414	1.3
389.17957	1.2
390.18933	1.5
391.19296	4.9
392.19839	2.2
393.20721	2.4
399.15875	1.6
400.16852	2.9
401.17932	2.5
402.18600	2.1
403.19244	2.2
405.16376	1.6
405.20978	2.3
407.22128	3.9
413.17514	3.2
415.19550	5.9
416.20285	1.8
417.20966	2.0
419.18472	3.3
419.23132	1.5
420.19128	1.3
421.20248	2.8
427.19287	2.4
428.19812	2.5
429.20563	3.8
430.21503	3.0
431.18250	1.7
435.21866	2.4
443.22729	2.7
444.19626	3.6
447.17453	4.9
449.19461	2.4
457.20355	1.5
458.21127	2.0
460.18219	1.2
461.19684	4.1
462.20334	3.3
463.21069	3.2
465.23187	1.2
471.22299	6.8
473.19318	2.2
475.20938	3.5
477.23199	1.4
485.19641	2.1
486.20428	3.5
489.22415	5.3
490.19751	3.1
491.20737	3.8
499.21289	14.8
501.23434	5.1
503.20837	4.5
507.23453	4.0
513.18512	1.4
517.22272	11.4
525.35583	2.1
527.20874	2.8
529.22241	8.7
535.23401	5.9
545.21832	45.4
547.26587	2.7
549.24335	1.9
550.25446	2.9
555.20074	1.3
563.22620	7.1
564.23895	2.2
573.21289	9.2
579.30334	2.0
591.25720	1.4
605.23865	80.9
605.40363	3.5
623.24951	100.0
623.42639	18.0
624.25018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03949	9.2
55.01873	6.9
55.05513	18.3
57.03430	7.1
57.07088	0.9
65.03931	2.4
66.24362	0.7
67.05506	33.7
69.03420	12.8
69.07067	8.9
71.01377	1.3
71.04987	6.4
73.02927	1.0
77.03903	0.9
79.05492	34.5
81.03418	100.0
81.06582	2.0
81.07057	33.1
83.04979	15.9
83.08618	18.0
85.02907	19.2
85.06540	3.9
91.05483	36.9
93.07046	22.5
95.04971	34.1
95.05563	1.7
95.08613	14.7
97.02896	13.9
97.06532	4.5
97.10167	8.3
98.21513	2.4
99.04458	4.5
99.08098	2.1
103.05515	1.7
105.03400	1.8
105.04542	1.3
105.07036	30.3
107.04955	13.7
107.08602	13.9
108.58315	0.9
109.02878	20.1
109.06513	6.8
109.07140	0.9
109.10169	7.4
111.04442	10.7
111.08091	9.9
113.05973	1.4
115.05477	3.1
117.07015	8.8
119.04959	2.9
119.08581	21.8
121.02900	1.8
121.06519	6.7
121.10132	10.6
123.04411	5.1
123.08088	3.1
123.11715	3.4
125.02370	3.3
125.06013	1.9
125.09624	4.4
127.03918	10.0
128.06224	1.8
129.05544	1.3
129.07007	12.7
131.04947	3.3
131.08571	16.8
133.06520	5.9
133.10135	13.2
135.04372	1.2
135.08078	3.2
135.11708	5.4
137.06010	2.5
137.09656	2.5
141.07004	2.3
142.07822	3.2
143.08600	4.1
145.05426	0.7
145.06494	5.9
145.10141	7.7
147.04460	4.4
147.08046	6.1
147.11691	17.8
149.06023	4.2
149.09619	7.0
149.13248	1.7
151.07536	1.2
151.11226	1.0
153.09166	1.0
153.12766	3.4
155.08591	2.9
155.13058	0.9
157.06538	2.4
157.10112	12.7
159.04474	1.0
159.08136	2.0
159.11700	1.5
161.06026	2.8
161.09653	1.9
161.13350	1.4
163.07541	1.1
163.11191	6.4
165.09186	2.6
165.12755	4.4
167.08621	1.5
169.06586	1.4
169.10117	1.6
171.08116	1.8
171.11722	2.1
171.57700	0.8
173.04494	4.2
173.05954	1.8
173.09662	2.5
175.07654	1.2
175.11176	12.7
177.05551	1.6
177.12743	1.1
181.10342	1.2
181.12309	3.1
183.08122	1.1
183.11745	1.4
185.09718	1.8
185.13441	2.0
187.07587	1.1
187.11292	1.2
187.14908	1.1
189.05450	2.0
189.11281	2.1
189.12848	1.7
191.10593	4.2
193.12247	32.6
195.11751	1.3
197.09682	1.9
199.11229	1.1
203.14294	1.6
205.12167	1.6
207.13789	1.3
209.11716	1.0
211.11320	1.4
211.13275	37.3
213.12811	1.0
215.10945	0.8
217.12180	1.3
221.11748	0.9
223.13255	1.4
227.12848	3.4
229.12303	1.6
229.14398	1.1
231.13905	1.1
235.13359	2.5
237.12888	1.4
247.13428	2.0
249.14931	3.8
255.13734	1.7
257.04465	1.0
257.15414	1.9
259.13522	2.6
261.14978	1.2
265.14337	1.6
267.15991	11.3
272.95261	1.1
273.14862	7.0
277.14441	1.9
283.13223	2.7
285.17050	8.3
289.14377	2.3
291.16058	2.2
301.14322	10.7
303.15927	1.2
319.15421	7.4
337.16635	3.5
339.23047	0.9
351.17932	0.9
355.17636	3.4
357.16824	1.1
357.24249	0.9
367.22659	2.1
375.18179	4.2
385.23782	3.2
393.18982	5.4
403.24658	1.3
411.20294	3.6
441.27100	1.1
459.27615	7.2
477.28601	6.7
495.29675	5.0
525.28424	1.6
529.27563	1.1
539.30164	1.2
543.30194	1.1
557.31268	1.4
567.29785	3.2
573.30658	2.6
585.30609	9.9
603.31775	12.5
613.54865	1.0
621.32764	70.9
622.33252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03949	9.2
55.01873	6.9
55.05513	18.3
57.03430	7.1
57.07088	0.9
65.03931	2.4
66.24362	0.7
67.05506	33.7
69.03420	12.8
69.07067	8.9
71.01377	1.3
71.04987	6.4
73.02927	1.0
77.03903	0.9
79.05492	34.5
81.03418	100.0
81.06582	2.0
81.07057	33.1
83.04979	15.9
83.08618	18.0
85.02907	19.2
85.06540	3.9
91.05483	36.9
93.07046	22.5
95.04971	34.1
95.05563	1.7
95.08613	14.7
97.02896	13.9
97.06532	4.5
97.10167	8.3
98.21513	2.4
99.04458	4.5
99.08098	2.1
103.05515	1.7
105.03400	1.8
105.04542	1.3
105.07036	30.3
107.04955	13.7
107.08602	13.9
108.58315	0.9
109.02878	20.1
109.06513	6.8
109.07140	0.9
109.10169	7.4
111.04442	10.7
111.08091	9.9
113.05973	1.4
115.05477	3.1
117.07015	8.8
119.04959	2.9
119.08581	21.8
121.02900	1.8
121.06519	6.7
121.10132	10.6
123.04411	5.1
123.08088	3.1
123.11715	3.4
125.02370	3.3
125.06013	1.9
125.09624	4.4
127.03918	10.0
128.06224	1.8
129.05544	1.3
129.07007	12.7
131.04947	3.3
131.08571	16.8
133.06520	5.9
133.10135	13.2
135.04372	1.2
135.08078	3.2
135.11708	5.4
137.06010	2.5
137.09656	2.5
141.07004	2.3
142.07822	3.2
143.08600	4.1
145.05426	0.7
145.06494	5.9
145.10141	7.7
147.04460	4.4
147.08046	6.1
147.11691	17.8
149.06023	4.2
149.09619	7.0
149.13248	1.7
151.07536	1.2
151.11226	1.0
153.09166	1.0
153.12766	3.4
155.08591	2.9
155.13058	0.9
157.06538	2.4
157.10112	12.7
159.04474	1.0
159.08136	2.0
159.11700	1.5
161.06026	2.8
161.09653	1.9
161.13350	1.4
163.07541	1.1
163.11191	6.4
165.09186	2.6
165.12755	4.4
167.08621	1.5
169.06586	1.4
169.10117	1.6
171.08116	1.8
171.11722	2.1
171.57700	0.8
173.04494	4.2
173.05954	1.8
173.09662	2.5
175.07654	1.2
175.11176	12.7
177.05551	1.6
177.12743	1.1
181.10342	1.2
181.12309	3.1
183.08122	1.1
183.11745	1.4
185.09718	1.8
185.13441	2.0
187.07587	1.1
187.11292	1.2
187.14908	1.1
189.05450	2.0
189.11281	2.1
189.12848	1.7
191.10593	4.2
193.12247	32.6
195.11751	1.3
197.09682	1.9
199.11229	1.1
203.14294	1.6
205.12167	1.6
207.13789	1.3
209.11716	1.0
211.11320	1.4
211.13275	37.3
213.12811	1.0
215.10945	0.8
217.12180	1.3
221.11748	0.9
223.13255	1.4
227.12848	3.4
229.12303	1.6
229.14398	1.1
231.13905	1.1
235.13359	2.5
237.12888	1.4
247.13428	2.0
249.14931	3.8
255.13734	1.7
257.04465	1.0
257.15414	1.9
259.13522	2.6
261.14978	1.2
265.14337	1.6
267.15991	11.3
272.95261	1.1
273.14862	7.0
277.14441	1.9
283.13223	2.7
285.17050	8.3
289.14377	2.3
291.16058	2.2
301.14322	10.7
303.15927	1.2
319.15421	7.4
337.16635	3.5
339.23047	0.9
351.17932	0.9
355.17636	3.4
357.16824	1.1
357.24249	0.9
367.22659	2.1
375.18179	4.2
385.23782	3.2
393.18982	5.4
403.24658	1.3
411.20294	3.6
441.27100	1.1
459.27615	7.2
477.28601	6.7
495.29675	5.0
525.28424	1.6
529.27563	1.1
539.30164	1.2
543.30194	1.1
557.31268	1.4
567.29785	3.2
573.30658	2.6
585.30609	9.9
603.31775	12.5
613.54865	1.0
621.32764	70.9
622.33252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2713
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.07069	1.5
67.05499	1.7
71.55289	1.0
81.07055	0.8
87.04474	4.5
88.04829	1.1
91.05465	0.8
95.08601	0.9
105.07088	0.8
119.08574	1.5
133.03481	1.1
145.03557	0.9
145.76277	0.8
155.23682	0.8
182.42561	0.8
185.03088	1.0
333.24911	1.2
334.25119	1.6
383.28549	0.8
388.16962	0.9
389.17627	3.2
390.18576	1.5
402.18481	2.0
403.19266	5.3
404.20026	2.3
405.20764	2.5
417.16248	4.0
417.21768	1.5
418.22040	1.5
419.22427	7.6
431.18109	6.3
432.19366	2.7
433.20163	1.9
445.20166	6.5
446.21164	4.8
447.21710	11.2
459.22006	3.3
461.19135	1.2
473.19077	1.3
474.20526	10.4
475.21323	14.0
487.21295	3.7
488.22336	1.6
501.22968	1.8
533.25549	10.9
561.25012	62.6
562.25494	1.0
562.62323	1.0
580.26721	4.3
589.23853	1.8
593.27533	2.5
598.28363	1.9
621.27081	100.0
621.43042	2.8
622.27191	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	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.05488	0.4
71.15835	0.8
81.07050	0.5
95.08646	0.4
97.06565	0.3
116.69527	0.3
121.10164	0.3
233.10757	0.4
310.13367	0.4
375.16422	0.9
376.17596	0.5
386.16479	0.4
387.16177	0.8
388.16919	1.0
389.17780	2.6
390.18753	1.0
391.19431	1.0
399.16284	0.3
401.17715	1.3
402.18640	1.0
403.19366	3.7
404.19958	2.8
405.20844	1.2
414.18674	0.4
415.19452	0.8
416.20209	0.9
417.17007	1.9
417.20978	2.4
418.21606	1.3
419.22379	5.1
420.23254	0.7
427.19507	0.5
429.20920	0.9
430.17328	0.6
430.22232	0.6
431.18689	3.2
431.22855	2.1
432.19449	1.0
432.24072	0.5
433.20505	0.9
441.20984	0.5
445.20758	4.5
446.21042	2.7
447.21884	6.1
455.22467	0.3
459.18378	2.9
460.18866	1.0
461.19659	1.7
473.19617	1.5
473.24219	0.9
474.20520	8.1
475.21307	13.7
487.21643	2.7
488.22000	0.8
491.24533	0.6
501.22980	2.8
505.26324	1.5
517.21838	0.4
518.23236	0.6
519.20398	0.5
529.22528	0.8
533.25592	8.2
546.22638	0.9
561.25000	34.5
562.25256	0.7
565.27936	0.4
589.24310	1.8
593.27661	0.9
621.27094	100.0
622.27295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.2
55.01870	5.3
55.05518	17.5
56.96563	3.0
57.03448	7.6
65.03951	1.5
67.05507	29.1
67.65810	1.1
69.03082	1.8
69.03423	19.2
69.07070	6.6
69.36705	2.8
69.37114	5.5
71.01364	1.9
71.04993	5.0
79.05061	2.2
79.05495	28.9
81.03421	100.0
81.07059	30.6
83.04983	16.0
83.08625	18.6
85.02909	20.5
85.06558	2.2
87.14693	1.2
91.05486	36.4
93.07048	20.1
95.04974	29.4
95.08609	11.1
97.02905	16.3
97.06540	4.3
97.10162	8.2
98.20829	2.8
98.97645	1.2
99.04460	4.9
99.08157	1.5
103.05514	1.6
105.03397	51.8
105.04526	2.9
105.07040	25.5
107.04961	26.1
107.08594	12.7
109.02892	24.4
109.06513	5.2
109.10163	5.1
111.04449	8.2
111.08089	9.0
112.99140	1.6
113.06030	2.8
115.05470	3.1
117.07047	7.0
119.04951	2.8
119.08579	18.2
121.06520	7.0
121.10136	7.4
123.04443	5.8
123.08061	3.4
123.11693	1.8
125.02360	2.9
125.06004	1.3
125.09660	5.5
127.03919	11.1
128.06258	3.1
129.07021	12.9
131.00180	2.1
131.04913	3.5
131.08575	13.4
133.06511	6.5
133.10162	9.8
135.08060	1.7
135.11693	4.2
137.06009	2.5
137.09624	2.3
142.07863	2.8
143.08640	3.1
145.06503	5.2
145.10185	5.8
147.04434	3.3
147.08061	5.5
147.11688	13.5
149.05986	2.6
149.09616	6.3
153.12831	1.9
155.08594	1.8
157.06522	2.1
157.10130	11.7
158.99736	1.2
159.08035	1.9
159.11732	2.5
161.05989	3.4
161.09654	2.1
161.13141	1.1
163.11153	6.5
165.12785	3.9
171.08083	1.9
171.11703	2.1
173.04492	5.3
173.06026	3.0
173.09666	1.8
175.11200	13.3
181.12250	2.8
185.04823	1.7
185.13393	1.3
187.11208	1.5
187.14804	1.1
189.05531	3.3
189.11224	1.8
189.12871	1.7
191.10699	1.5
193.10460	2.0
193.12241	31.7
195.11844	1.2
205.12346	1.3
211.11380	1.7
211.13283	40.2
213.12665	2.0
223.13326	1.2
227.12804	4.4
229.14526	1.4
231.06584	2.8
235.13382	1.9
237.12883	1.6
249.07933	4.6
249.14877	3.4
255.13983	2.3
259.13248	1.4
267.08987	29.0
267.15839	9.0
273.14877	9.1
277.14395	2.3
283.13062	1.8
285.10117	24.6
285.17032	9.0
286.10562	1.3
289.14368	1.9
290.10751	1.6
291.15945	1.2
301.14197	10.7
303.15820	1.6
307.15369	1.2
308.11948	1.2
309.10178	2.3
309.17142	1.7
319.15451	5.2
323.11661	2.3
337.16638	4.0
355.17508	3.6
357.15872	4.0
367.22659	2.5
375.17990	6.6
385.23837	2.5
393.19183	6.5
411.20193	1.7
431.27197	1.1
459.27277	9.1
467.15936	1.9
477.28546	5.2
485.16824	11.3
495.29648	5.5
529.27423	1.5
557.31049	2.3
567.29706	3.5
573.30273	2.5
585.30798	9.2
603.31616	13.4
621.32776	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
63.06862	0.3
67.05511	0.4
69.61671	1.6
93.63606	0.3
98.21442	0.7
107.08557	0.4
119.54368	0.3
138.09021	0.3
152.89391	0.4
219.09262	0.3
221.90266	0.3
235.44325	0.3
375.16089	0.8
388.17023	0.8
389.17603	2.6
390.18509	1.0
391.19351	0.7
401.17795	0.8
402.18582	1.0
403.19394	4.5
404.20071	2.4
405.20642	2.6
414.18430	0.4
415.19720	0.5
416.15735	0.7
417.16135	3.6
417.21106	2.4
418.17404	0.7
418.22189	0.7
419.22421	6.0
430.17233	0.5
430.22345	0.8
431.17886	4.9
431.23230	1.2
432.19318	2.4
433.20132	2.8
443.18610	0.7
444.19562	0.9
445.20044	5.5
446.20956	4.8
447.21771	7.9
459.17407	0.8
459.22061	1.9
461.19763	1.2
463.21472	0.6
466.30936	0.4
469.90982	0.4
473.18881	0.7
473.24643	0.6
474.20313	5.8
475.21356	7.7
477.23022	0.4
487.21634	2.6
488.22015	0.7
491.21048	1.1
492.25742	0.4
501.22836	2.0
505.26093	1.1
518.23462	0.4
533.25525	14.2
561.24988	22.4
589.24158	0.8
593.27618	3.7
621.27069	100.0
622.27246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.03434	1.2
57.07065	1.0
66.56330	0.3
67.05502	3.2
69.07058	1.9
69.21514	1.8
69.21943	1.0
71.08637	0.4
79.05495	1.3
81.03413	0.4
81.07064	3.9
83.08625	1.5
87.04465	1.2
91.05486	0.9
93.07056	1.5
95.08612	2.4
95.97836	0.3
97.06577	0.3
97.10186	0.9
98.92793	0.3
98.98457	0.5
105.07035	0.8
107.08605	0.9
109.10186	1.4
111.08091	0.4
119.08578	0.9
119.36005	0.3
121.10152	0.8
123.11712	0.5
133.10149	0.8
135.11642	0.4
145.12175	0.3
147.11717	0.4
155.01018	0.7
171.89478	0.3
211.13338	1.4
233.11497	0.6
268.88068	0.3
283.15158	13.7
311.25916	0.4
337.27515	1.1
339.17780	3.2
429.73822	0.3
444.89471	0.3
453.56195	0.3
619.41803	100.0
620.42297	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
54.66295	1.2
55.01873	2.2
55.05505	3.6
57.03440	1.3
67.05499	4.6
68.87128	0.9
69.03429	5.6
69.07055	4.7
71.04978	1.2
72.03326	0.8
74.09697	1.8
77.37155	0.9
78.04710	1.2
79.05499	8.3
81.03418	8.4
81.07051	13.8
82.07394	2.1
83.05005	1.7
83.08617	2.1
84.22325	1.0
85.02901	3.8
85.06542	2.4
91.05485	7.1
93.07053	7.5
95.04960	4.5
95.08614	8.1
97.02894	5.4
97.06512	1.8
97.10141	3.2
99.04462	2.1
103.05440	1.2
105.03430	7.4
105.07019	5.4
106.07390	1.7
107.04954	52.0
107.08607	6.3
108.08936	1.1
109.02889	5.0
109.06535	1.7
109.10142	4.7
111.08100	1.8
112.08472	1.0
115.05537	1.1
116.07121	2.1
116.26260	0.9
117.07023	1.9
119.04975	1.6
119.08583	3.1
121.06493	7.2
121.10188	4.7
122.03703	1.2
123.04400	2.0
123.08024	1.5
123.11697	4.3
127.03934	5.8
131.04961	3.8
131.08553	1.3
133.06464	1.4
133.10144	2.0
135.08061	4.3
135.11681	2.2
137.05984	60.0
139.11172	1.3
145.04958	1.5
145.06451	2.8
145.10132	2.2
147.04402	3.0
147.11697	2.2
149.06001	8.6
149.13278	2.9
151.07547	48.9
157.10039	1.9
161.05974	1.4
161.13161	1.0
163.07538	16.6
164.04652	3.4
165.09090	2.2
167.07051	2.4
170.44032	1.0
173.06004	4.6
173.09532	1.1
176.04713	2.7
177.05405	1.8
179.07039	100.0
183.08052	3.4
187.05988	3.7
187.07561	1.7
191.07030	96.6
193.08618	29.1
203.07069	2.5
205.08679	1.3
209.06088	2.3
209.08087	37.0
215.07085	4.8
241.08705	1.0
243.10170	9.4
245.08131	1.5
251.09082	5.5
271.05826	2.1
285.11221	22.1
297.11432	2.2
301.32556	1.2
306.25021	1.8
309.11224	3.5
315.12219	1.5
323.11179	2.0
327.12177	7.6
329.10059	1.0
335.11292	2.7
351.12320	4.3
353.12320	4.6
369.13647	1.6
375.12216	2.8
393.13281	9.2
411.14331	9.4
429.15671	6.2
432.28183	2.0
450.29355	1.8
620.27417	20.6
625.75525	1.2
635.35620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.58543	0.3
55.26703	0.3
64.20897	0.3
69.73523	1.5
98.20770	0.3
191.45021	0.3
220.10167	0.3
334.96176	0.4
336.14731	0.4
373.14334	0.4
374.15036	0.4
375.16116	0.5
387.16199	0.7
388.16916	0.7
389.17566	2.4
390.18546	0.9
391.18991	0.7
401.13281	0.4
401.17972	0.5
402.18887	0.7
403.15137	0.4
403.19357	3.5
404.19937	1.3
405.20981	1.7
415.19489	0.5
416.16296	1.2
417.16205	3.3
417.21085	2.1
418.21756	0.9
419.22418	6.5
421.09555	0.4
429.16983	0.7
430.17566	0.7
431.18109	5.6
432.19156	2.3
433.20148	1.8
443.18515	0.4
444.19424	0.5
445.20105	4.7
446.21033	4.8
447.21869	6.1
459.17172	0.6
459.21872	1.8
460.22873	0.5
461.19849	1.4
463.21277	0.4
473.19138	0.8
473.24179	0.9
474.20447	4.1
475.21243	5.3
477.22675	0.4
487.21323	2.8
488.22150	0.5
491.20215	0.8
501.22903	1.1
505.25970	0.6
518.22876	0.6
529.22144	0.4
533.25500	11.8
561.25000	17.4
562.25177	0.5
589.24731	1.0
593.27802	3.0
621.27075	100.0
622.27600	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	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01966	0.2
56.04546	0.3
56.86259	0.3
71.07265	0.6
71.52858	0.3
110.52056	0.3
117.54881	0.2
132.39937	0.3
151.47148	0.3
168.79623	0.3
178.56689	0.3
184.74295	0.3
221.10561	0.3
246.89050	0.3
275.31058	0.3
298.13354	0.3
312.14859	0.3
324.14905	0.5
373.14532	0.4
374.15323	0.6
375.16058	1.0
387.16220	0.7
388.16870	1.1
389.13989	0.3
389.17688	3.4
390.18411	1.1
391.19141	0.6
399.16190	0.3
401.17770	0.6
402.14154	0.7
402.19183	1.3
403.19382	5.9
404.19989	2.7
405.20956	1.6
415.14655	0.5
415.20035	1.4
416.15625	0.6
416.20404	0.8
417.16843	3.4
417.20901	3.6
418.16937	0.6
418.21628	1.1
419.22406	7.6
420.22971	0.5
429.16385	0.4
429.21329	0.6
430.17166	1.4
431.18100	7.6
431.23550	0.7
432.19049	2.4
433.20023	1.9
441.17026	0.4
443.18283	0.7
444.19839	0.7
445.20120	7.2
446.21042	5.6
447.21823	10.2
457.20313	0.4
459.17685	1.7
459.22137	1.9
460.18875	1.2
461.19757	1.3
463.21280	0.4
473.19550	1.8
474.20425	10.6
475.21320	15.6
487.21353	3.9
488.22192	1.3
491.20715	0.9
501.22845	2.3
502.23691	0.4
503.20981	0.7
505.26367	1.7
506.23282	0.5
517.22375	0.4
518.22821	0.4
519.24103	0.5
520.24390	0.4
529.22302	0.4
533.25549	11.7
546.22644	1.0
561.24982	70.3
562.25330	1.9
589.24268	1.8
593.27771	2.5
621.27100	100.0
622.27362	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.05513	32.8
57.03432	4.3
57.07083	7.1
67.05502	43.9
69.03434	14.8
69.07069	42.4
71.04994	8.3
71.08636	5.3
71.55111	3.0
71.55531	3.7
79.05489	30.5
81.03427	39.5
81.07060	100.0
83.04967	6.1
83.08630	22.4
85.02905	12.7
85.06553	4.5
91.05478	25.3
92.53886	3.5
93.07045	75.4
95.04974	18.8
95.08605	80.5
97.02890	7.8
97.06524	17.9
97.10184	27.4
99.04443	7.6
99.08102	5.7
100.11253	17.4
105.03405	11.5
105.07027	49.6
105.07687	5.5
107.04960	6.4
107.08591	60.8
107.12047	2.9
109.02908	20.2
109.06535	10.6
109.10162	62.3
111.04424	9.2
111.08095	9.5
112.70104	3.7
117.07024	8.1
117.45341	2.7
119.04994	3.6
119.08604	45.3
121.02894	3.2
121.06548	5.3
121.10157	45.8
123.04423	9.9
123.08107	6.3
123.11707	31.6
125.05991	3.3
125.09647	13.4
127.03903	18.9
129.07039	4.2
131.04950	6.5
131.08577	13.6
133.10138	42.5
135.08046	10.2
135.11703	32.6
137.09616	8.3
137.13271	12.9
139.03923	4.1
139.11212	6.2
143.08568	9.5
143.10606	5.2
145.10118	21.9
147.04419	11.9
147.08032	4.5
147.11699	30.1
149.09590	7.9
149.13264	44.1
151.11179	7.1
153.12700	5.2
157.10152	12.3
159.08038	4.7
159.11710	23.0
161.09671	4.7
161.13251	24.7
163.11272	7.1
163.14812	11.0
165.09120	7.9
165.12791	10.6
167.07101	3.7
167.14235	4.2
171.10262	3.2
171.11664	9.2
173.13264	10.9
175.07684	4.8
175.14848	13.0
177.16371	9.0
179.14322	3.4
182.15427	6.0
183.11728	4.0
185.13339	4.2
187.14876	8.2
189.12726	4.9
189.16417	10.0
197.09590	3.2
199.14931	3.8
209.16553	3.3
210.14926	5.2
213.16420	4.7
215.14308	4.3
259.24426	3.7
266.24704	12.3
275.23581	6.5
277.25320	10.9
285.10068	5.3
287.23691	18.3
291.23199	5.5
293.24713	8.7
303.23117	6.9
305.24786	48.7
309.09836	3.7
323.25873	9.7
329.24698	4.3
367.26477	4.1
375.29901	5.1
385.27277	7.7
395.25626	9.3
401.27185	4.4
413.26895	10.7
419.27765	5.2
429.26794	4.5
431.27881	29.9
437.29141	6.4
447.27432	8.8
449.29071	61.5
465.28235	5.8
467.30078	24.6
492.41779	6.1
598.16089	3.7
601.47192	4.3
619.32385	17.1
619.47888	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38588	0.6
55.05499	1.0
56.96301	0.7
56.96564	10.7
57.03434	0.9
57.05862	0.7
62.22916	0.5
67.05488	2.4
69.03422	0.6
69.07058	1.5
76.57507	0.5
79.05498	2.6
81.03413	1.4
81.05051	0.5
81.07038	3.1
82.07332	0.8
83.04961	1.2
83.08620	1.0
84.96037	9.7
85.02879	1.1
87.39295	0.6
91.05492	2.9
93.07023	2.5
95.04987	1.0
95.08582	2.0
97.06483	0.9
98.84734	0.6
98.97583	8.7
102.97058	0.8
105.07014	2.4
107.08598	2.0
109.10152	1.0
110.97562	2.0
111.08070	0.7
112.99125	1.0
116.98630	3.4
119.08553	1.4
121.10120	2.0
124.99140	3.5
128.98589	2.8
131.00211	1.0
131.08540	0.6
133.10107	1.5
134.99706	0.9
136.99055	0.8
140.00230	0.6
140.98560	1.6
143.00174	6.9
144.98065	3.3
145.10040	0.9
146.99629	0.7
147.11765	0.7
149.01193	2.0
149.09616	0.7
155.00162	1.9
158.99657	1.8
161.01234	5.9
162.99133	2.6
166.01779	1.4
167.02219	0.7
172.94199	0.6
173.01233	1.2
179.02396	0.7
180.94730	1.2
182.99658	3.4
190.95299	0.6
197.13217	0.9
198.95805	2.1
201.00728	4.6
219.01796	1.5
224.97504	0.9
228.96814	1.3
240.96919	3.4
242.98474	1.2
246.95784	1.4
246.98183	0.9
251.12514	1.4
254.98438	0.7
264.81393	0.6
264.96826	5.6
282.97934	8.7
296.99420	1.1
300.98978	5.3
305.99463	1.6
307.15091	1.2
317.17859	12.0
317.71332	0.6
324.00525	0.8
333.20331	5.2
335.18875	4.6
357.01727	1.0
358.20508	1.3
375.02673	1.3
389.22974	4.9
391.21658	0.8
451.60788	0.6
459.76505	0.6
512.70306	0.7
552.28754	0.7
599.21411	0.8
617.22772	55.4
617.36322	100.0
618.23157	3.8
618.36481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38588	0.6
55.05499	1.0
56.96301	0.7
56.96564	10.7
57.03434	0.9
57.05862	0.7
62.22916	0.5
67.05488	2.4
69.03422	0.6
69.07058	1.5
76.57507	0.5
79.05498	2.6
81.03413	1.4
81.05051	0.5
81.07038	3.1
82.07332	0.8
83.04961	1.2
83.08620	1.0
84.96037	9.7
85.02879	1.1
87.39295	0.6
91.05492	2.9
93.07023	2.5
95.04987	1.0
95.08582	2.0
97.06483	0.9
98.84734	0.6
98.97583	8.7
102.97058	0.8
105.07014	2.4
107.08598	2.0
109.10152	1.0
110.97562	2.0
111.08070	0.7
112.99125	1.0
116.98630	3.4
119.08553	1.4
121.10120	2.0
124.99140	3.5
128.98589	2.8
131.00211	1.0
131.08540	0.6
133.10107	1.5
134.99706	0.9
136.99055	0.8
140.00230	0.6
140.98560	1.6
143.00174	6.9
144.98065	3.3
145.10040	0.9
146.99629	0.7
147.11765	0.7
149.01193	2.0
149.09616	0.7
155.00162	1.9
158.99657	1.8
161.01234	5.9
162.99133	2.6
166.01779	1.4
167.02219	0.7
172.94199	0.6
173.01233	1.2
179.02396	0.7
180.94730	1.2
182.99658	3.4
190.95299	0.6
197.13217	0.9
198.95805	2.1
201.00728	4.6
219.01796	1.5
224.97504	0.9
228.96814	1.3
240.96919	3.4
242.98474	1.2
246.95784	1.4
246.98183	0.9
251.12514	1.4
254.98438	0.7
264.81393	0.6
264.96826	5.6
282.97934	8.7
296.99420	1.1
300.98978	5.3
305.99463	1.6
307.15091	1.2
317.17859	12.0
317.71332	0.6
324.00525	0.8
333.20331	5.2
335.18875	4.6
357.01727	1.0
358.20508	1.3
375.02673	1.3
389.22974	4.9
391.21658	0.8
451.60788	0.6
459.76505	0.6
512.70306	0.7
552.28754	0.7
599.21411	0.8
617.22772	55.4
617.36322	100.0
618.23157	3.8
618.36481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.03431	0.8
67.05515	3.3
68.20599	0.2
69.05944	0.2
69.07063	1.0
71.39077	0.5
79.05502	1.9
81.07059	3.5
83.08620	0.4
84.41287	0.2
85.06584	0.2
87.04475	0.4
91.05486	1.1
93.07048	1.9
94.04613	0.2
95.08598	2.6
97.06566	0.3
105.07056	0.8
107.08607	1.2
109.10176	0.9
119.08596	0.7
121.10165	1.1
123.11707	0.3
125.09692	0.3
131.08560	0.6
133.10136	0.5
135.11641	0.3
137.09636	0.3
148.87881	0.3
159.11882	0.2
162.94566	0.3
165.09198	0.3
175.14857	0.3
233.11597	0.4
283.15182	14.2
335.25897	0.9
339.17728	2.9
430.72809	0.3
617.40277	100.0
618.40643	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87927	0.3
52.89510	0.3
53.33660	0.3
55.05513	0.4
56.96571	19.0
67.05498	1.1
69.07071	0.4
69.70939	1.6
71.95280	0.9
72.96054	0.3
74.26385	0.3
74.97620	0.6
75.67243	0.3
79.05493	0.9
81.03443	0.7
81.07056	0.5
83.08636	0.3
84.96040	17.9
85.77262	0.3
91.05497	0.8
93.07050	0.8
95.08607	0.7
95.58086	0.3
97.06519	0.3
97.96861	0.5
98.97591	15.4
102.97089	1.3
104.10736	0.7
105.07031	0.6
107.08597	0.7
109.06553	0.4
109.10172	0.4
110.97579	3.2
112.99160	1.6
113.78214	0.3
116.98626	5.3
119.08574	0.8
121.10208	0.4
124.99126	6.5
126.97060	0.8
128.98622	4.0
131.00146	1.9
131.08598	0.5
133.10152	0.4
134.99698	1.3
136.99138	1.0
139.00661	0.7
140.00209	0.8
140.98579	3.5
143.00174	12.6
144.98090	6.2
145.10170	0.3
146.99687	1.6
149.01224	2.7
152.00229	0.7
154.93217	0.5
155.00177	2.7
157.01761	1.0
158.01305	0.4
158.99686	2.7
161.01239	9.4
161.09546	0.4
162.93681	0.4
162.99158	4.5
164.98660	1.1
166.01822	1.5
167.02310	0.5
170.01237	0.3
172.94328	1.2
173.01274	2.9
177.00693	0.7
179.02342	0.9
180.94824	2.7
181.00247	0.4
182.01353	0.5
182.99673	6.2
184.02902	1.2
185.01221	0.4
185.04893	0.3
186.00732	0.6
190.95383	0.7
191.02275	0.7
196.02904	0.3
198.95821	4.0
201.00728	9.4
203.02350	0.7
203.14409	0.5
206.01170	0.4
207.56058	0.3
210.95894	0.4
212.97392	0.4
216.96976	0.7
217.03850	0.5
219.01817	1.7
221.15436	0.7
222.95877	1.4
224.02399	1.6
224.97437	1.4
227.95346	0.3
228.96890	1.9
240.96924	3.6
242.98495	1.8
246.95810	2.8
246.98085	0.7
247.99167	0.4
254.98564	0.8
258.97919	0.6
260.99677	0.4
263.98587	0.6
264.96930	9.7
264.99619	0.6
266.00232	0.4
269.00162	0.3
282.97961	16.2
287.98557	1.4
296.99649	1.3
300.99014	8.9
305.99585	2.5
317.17905	26.1
319.19391	0.4
321.09827	0.3
324.00912	0.7
335.18948	8.1
336.19214	0.3
357.01782	1.4
358.20505	2.8
375.02765	1.1
391.21750	1.4
519.29822	0.4
557.21088	0.8
599.21796	1.6
617.23059	100.0
617.35706	3.2
618.23505	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.5
51.02359	1.2
53.03946	4.5
55.01848	1.2
55.05485	1.2
61.96410	0.4
63.20472	0.4
65.03918	1.5
67.05476	1.6
68.01424	0.4
69.03432	3.2
69.07056	0.4
71.54396	0.5
72.04505	1.0
72.08127	0.6
77.03919	1.3
78.48906	0.4
79.05487	3.7
81.03423	5.4
81.07063	2.3
83.04958	1.5
83.08611	0.4
85.02890	0.7
88.07620	1.7
88.11266	0.7
89.07169	1.9
91.05479	4.4
93.03368	0.5
93.07036	1.0
95.04968	10.0
95.08620	1.2
97.02882	1.7
97.10157	1.3
99.04456	1.0
103.05456	0.5
105.03394	100.0
105.04549	2.9
105.07050	1.4
106.03748	0.5
107.04958	55.8
107.08598	1.0
109.02880	3.0
109.06522	0.6
109.10155	0.9
111.04436	3.3
117.06990	0.5
119.04952	7.6
119.08585	0.8
121.02871	4.4
121.06537	1.2
121.10160	1.2
123.04481	1.3
123.11750	0.6
127.03941	3.5
128.06238	0.6
129.07059	1.2
131.04942	1.8
131.08591	0.5
133.06540	1.2
133.10127	0.4
135.04465	1.7
135.11601	0.6
137.06015	1.1
139.03954	2.0
142.07857	0.5
145.06514	1.2
145.10150	0.6
147.04407	2.1
147.08130	0.7
149.05988	0.5
149.13344	0.5
152.06302	0.7
155.08557	0.5
157.05084	0.5
157.06549	1.2
157.10184	0.9
161.06035	0.5
163.04012	0.7
165.07014	1.0
167.08630	1.8
169.06569	0.7
170.07394	0.7
171.08113	0.7
173.06020	0.7
173.59280	0.5
175.07593	0.6
183.08099	1.0
185.06078	0.5
185.09743	1.8
195.08017	1.9
201.05746	0.5
203.07111	0.6
211.07680	0.6
213.09106	24.8
215.07104	0.5
219.06700	0.5
225.09230	0.5
231.06712	1.8
237.09370	0.7
247.06157	0.8
249.07581	5.5
265.07339	1.1
267.08994	0.7
276.90836	0.4
278.57449	0.5
279.10403	1.0
303.23257	0.5
321.11679	0.5
369.10269	1.5
377.09052	1.2
379.10321	0.5
387.11353	1.1
405.11832	6.5
447.27838	0.8
465.28860	1.0
586.29889	0.4
617.29492	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	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21964	1.1
53.03944	2.2
55.05515	15.1
57.03429	4.1
57.07066	5.4
61.14590	1.0
62.34399	1.1
65.03944	1.4
67.05508	37.3
69.07069	21.1
70.65733	1.3
70.66100	3.2
71.04987	1.7
71.08644	2.6
73.25280	1.1
79.05498	21.7
81.06586	2.6
81.07066	47.1
83.04966	1.4
83.08630	10.7
85.06548	1.8
86.29324	1.1
87.04465	1.5
89.06064	2.1
91.05492	16.7
93.07053	32.0
95.05001	1.9
95.08619	37.5
97.06554	3.0
97.10162	5.3
99.08141	1.3
105.04527	1.1
105.07036	19.2
107.08595	18.3
109.10167	20.5
111.08082	2.4
117.07027	6.5
119.08591	19.8
121.10161	16.5
123.11697	9.1
129.07011	2.5
131.08580	10.8
133.10155	14.1
135.11720	13.9
137.13277	3.5
143.08577	2.2
145.10129	12.6
147.11742	9.8
149.13295	4.9
153.12764	1.3
157.10165	4.6
159.11694	7.9
161.13307	6.0
163.14850	4.7
169.10112	1.6
171.11679	3.1
173.13297	5.1
175.14879	3.2
177.16371	2.2
179.14299	1.2
181.11247	1.2
185.13354	1.6
187.02902	1.4
187.14882	3.0
189.16409	1.4
199.14967	2.3
201.16394	2.3
205.19565	1.2
215.17953	2.4
217.19545	2.3
240.04990	1.2
241.19592	1.7
243.21114	1.6
247.24164	1.5
259.20691	4.1
261.22128	8.6
317.24832	2.2
333.24588	2.3
335.25858	10.4
337.27390	12.3
339.28854	3.4
454.35864	1.2
503.37643	1.3
523.45245	4.1
541.46161	2.9
597.48505	11.9
615.49854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.28930	0.3
56.96568	18.9
67.05503	0.7
69.62458	0.3
69.75771	1.9
71.95257	0.8
72.96033	0.4
74.97633	0.5
75.92010	0.3
79.05505	0.4
81.07044	1.0
84.64934	0.3
84.96037	17.0
85.02927	0.4
87.46021	0.4
91.05443	0.5
93.07049	0.3
97.99184	0.4
98.97585	16.1
102.97054	0.9
104.10769	0.6
105.07054	0.8
107.08594	0.5
110.97573	3.8
112.99142	1.3
115.00648	0.3
116.98640	5.4
119.08578	0.6
121.10181	0.4
123.08040	0.5
124.99123	7.2
126.97072	0.4
128.98604	4.4
131.00179	2.0
134.99687	0.9
136.99107	0.7
139.00650	0.6
140.00192	0.9
140.98601	3.9
143.00174	11.8
144.98102	6.6
145.25594	0.4
146.99677	1.9
149.01247	1.8
154.93188	0.5
155.00175	2.9
157.01749	1.1
158.99648	2.6
161.01239	7.1
162.99147	3.6
164.98578	0.7
166.01796	0.9
167.02307	0.5
170.99698	0.5
172.94299	0.8
173.01239	2.4
179.02309	0.6
180.94818	2.9
182.99660	7.2
184.02832	1.2
185.01251	0.4
186.00797	0.4
190.95380	0.6
191.02222	0.6
198.95859	3.1
201.00691	8.3
203.02321	0.7
203.06023	0.4
206.96239	0.4
210.95905	0.4
212.97382	0.5
216.96999	0.5
217.03915	0.6
219.01733	1.7
221.15417	0.7
222.95889	1.2
224.02332	0.9
224.97412	1.8
227.09444	0.5
228.94957	0.4
228.96957	1.5
239.28932	0.4
240.96892	3.4
242.98419	2.2
246.95856	2.2
246.98071	1.2
254.98618	1.0
258.97955	0.8
264.96899	9.3
264.99597	0.6
269.97418	0.5
282.94818	0.7
282.97955	13.6
287.98523	1.0
296.99591	0.8
300.99042	8.2
305.99554	1.2
317.17892	24.4
324.00558	0.6
333.17545	0.5
335.18933	7.6
357.01666	1.1
358.20691	2.7
375.03079	0.7
391.21628	2.0
557.21027	0.5
599.22009	1.6
605.41083	0.4
617.23029	100.0
617.35834	3.5
618.23291	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
57.03426	0.8
67.05506	3.4
69.03424	0.6
69.07054	1.5
71.04978	0.6
71.54878	0.8
78.02020	0.6
79.05518	2.5
81.03416	1.4
81.07066	3.7
83.04987	0.8
83.08617	0.9
85.02883	1.2
91.05473	1.7
93.07042	2.9
93.63609	0.5
94.83844	0.5
95.04989	1.5
95.08607	2.4
97.02955	0.6
97.06502	0.8
97.10153	1.0
105.07044	3.2
107.08578	1.5
109.10162	1.4
117.06982	0.7
119.08575	1.9
121.10181	1.3
123.08045	0.8
129.07016	0.6
131.08565	1.1
133.10158	1.5
135.08040	0.6
135.11703	1.0
139.73721	0.5
145.10147	1.1
147.08011	0.9
147.11708	0.9
147.37065	0.5
157.10240	0.5
159.11769	0.5
161.09628	0.5
180.26443	0.5
249.11047	3.5
251.12543	0.8
259.20520	0.6
305.13635	1.1
307.15198	1.2
319.21170	1.4
331.18842	3.7
387.21271	2.8
498.11929	0.6
536.54718	0.6
615.35016	100.0
616.35675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27610	0.2
55.05505	0.3
56.88262	0.2
67.05506	0.5
79.05502	0.3
81.07061	0.5
82.09771	0.2
83.08617	0.3
89.06044	1.1
93.07044	0.5
95.08599	0.4
98.20689	0.5
100.97655	0.2
105.07027	0.5
109.10129	0.3
109.10959	0.2
119.08603	0.4
132.16692	0.3
133.08614	0.5
147.11711	0.3
175.23801	0.3
236.92151	0.3
415.25946	0.3
431.09470	0.2
480.15912	0.2
495.18100	0.4
509.19562	1.0
510.20349	9.9
511.20554	0.3
523.20953	0.5
524.21924	4.1
538.23450	0.8
539.24188	100.0
540.24615	2.2
583.23450	0.7
615.25793	2.4
615.38031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01876	2.2
55.05510	0.5
56.96586	0.4
58.40141	0.3
60.06552	0.3
61.02922	0.4
65.03944	0.8
67.05511	1.4
69.03426	1.4
69.07076	0.8
70.06583	0.3
71.05015	0.4
71.54961	0.5
77.03950	0.3
79.05497	2.3
81.03428	1.2
81.07056	1.8
83.05022	0.4
83.08633	0.5
85.02896	1.4
85.06558	0.4
91.05491	3.5
93.07042	3.7
95.04973	1.0
95.08627	1.3
96.04486	0.4
97.02918	1.0
97.06562	0.5
97.10163	0.6
98.97624	0.3
99.04468	0.4
103.05473	5.3
105.03369	1.4
105.04523	0.3
105.07034	2.1
107.04955	1.9
107.08618	1.4
108.81511	0.3
109.02914	0.9
109.06525	0.5
109.10167	1.4
111.04438	0.4
111.08105	0.5
115.05475	0.6
117.07045	0.5
118.04156	1.4
119.04949	2.4
119.05531	0.2
119.08592	1.4
121.06548	1.0
121.10152	3.7
123.04434	1.5
123.11751	0.3
125.16563	0.3
127.03943	0.9
129.07062	0.6
130.04221	0.6
131.04933	5.4
131.08589	0.5
132.05748	0.3
133.02850	0.9
133.06522	1.0
133.10170	0.7
135.04448	0.6
135.08099	0.5
135.11807	0.3
137.05975	2.4
137.09634	0.4
139.03912	0.7
145.06500	0.5
145.10216	0.4
147.04425	6.8
147.05527	0.5
147.11699	0.4
148.05203	2.9
149.02380	0.4
149.05998	0.8
149.09642	1.1
151.03946	0.4
151.07666	0.3
153.01837	4.2
153.05518	0.3
156.51344	0.3
159.08099	0.6
161.06052	1.4
163.03964	0.4
163.07552	4.7
163.11177	0.4
165.01924	1.2
167.07043	2.3
167.10724	0.7
167.14375	0.3
173.06032	0.6
175.07600	0.5
176.04735	1.0
177.02037	0.3
177.05504	2.1
179.07062	0.5
181.04982	4.1
183.02884	0.4
187.07507	0.4
189.09122	0.3
191.07034	25.8
192.07620	0.5
193.08685	0.4
195.02956	0.7
205.08492	0.4
209.08159	2.4
217.08546	0.3
221.08119	3.5
225.07591	0.4
231.06581	0.4
235.13246	0.4
249.11247	0.7
265.10907	0.5
271.06082	0.7
277.12997	0.3
287.05594	0.7
289.16815	0.4
293.13864	0.4
299.05667	0.5
305.06815	0.4
317.06638	0.8
323.34106	0.3
327.10550	0.5
330.15106	0.3
379.23477	0.4
389.15982	1.4
418.16574	1.9
435.14792	0.4
453.15173	0.4
541.29828	0.8
567.31812	0.8
615.33521	100.0
616.33795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83136	0.3
55.05502	0.4
57.07077	5.5
58.06605	1.9
65.03921	0.7
68.05016	0.4
69.24560	0.3
70.06595	16.0
71.08627	2.4
71.56979	0.5
73.64104	0.4
74.06079	0.4
79.05510	0.4
81.07042	0.3
85.10157	1.0
88.07633	18.4
90.66344	0.4
93.06994	0.5
95.08585	0.5
102.09188	14.8
105.03375	0.7
107.08582	0.4
131.04916	0.5
147.04364	0.6
149.02350	37.7
175.03883	0.8
193.04968	48.7
212.23767	0.5
219.06526	1.3
225.05502	1.1
256.26364	39.1
269.04477	1.3
297.03946	2.8
313.07065	2.8
341.06534	10.4
345.25705	0.3
353.26782	0.4
359.07605	6.1
385.09183	44.8
386.09518	0.6
396.31888	0.3
510.86014	0.3
596.32184	0.6
614.33246	100.0
615.33990	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48606	3.9
53.03942	11.7
55.01878	6.8
55.05515	36.6
57.03420	12.4
57.07059	5.2
58.37835	4.6
62.89191	4.4
65.03950	3.9
67.05508	86.6
68.03396	3.9
69.03452	4.3
69.07071	24.5
69.27829	21.8
69.28252	14.7
71.04976	12.7
71.08644	22.6
77.03974	4.5
79.05498	76.1
79.05925	3.1
81.03416	62.9
81.07060	100.0
83.04983	29.7
83.08631	32.1
85.02915	31.0
85.06558	6.2
91.05482	74.2
93.07053	67.4
95.04971	42.3
95.08608	43.1
97.06528	14.4
97.10172	13.2
99.08110	23.8
105.07034	49.2
107.04951	12.8
107.08608	25.0
109.06508	7.6
109.10165	13.2
111.08088	14.4
117.07016	10.4
119.08590	36.2
121.10156	29.5
123.08074	4.7
125.09664	10.2
129.06999	18.9
131.08574	26.6
133.10162	29.0
135.08029	5.4
135.11740	11.0
145.10112	9.8
147.11691	21.9
149.05962	10.2
149.09653	8.2
149.13249	13.2
151.11212	27.0
157.10141	22.2
159.11740	9.1
161.13272	6.3
163.11200	17.0
175.11208	20.6
179.14256	5.3
186.27742	4.1
193.04895	5.6
193.12259	61.4
193.67497	4.1
195.13939	4.3
211.13290	69.9
227.12740	18.4
259.20532	7.6
267.15924	32.9
269.17450	20.7
277.21707	23.2
285.16959	61.2
300.28909	5.5
341.10010	9.0
351.25290	36.5
383.24136	7.8
461.29221	20.6
479.23590	5.7
479.30087	98.3
543.36597	13.8
561.37891	21.6
591.28320	10.2
614.36871	30.7
642.81006	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	614.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
53.63791	1.2
55.01853	1.2
55.05514	22.2
57.03442	14.4
57.07058	4.5
59.69960	1.4
65.03925	3.5
67.05506	53.6
69.06734	1.7
69.07072	24.0
71.05003	2.5
77.31245	1.3
79.05495	21.3
81.03419	71.3
81.07059	54.6
83.04973	4.2
83.08618	20.0
85.06544	1.7
89.06017	1.8
91.05480	24.6
93.07052	20.6
95.04966	21.0
95.08606	39.2
97.02905	2.0
97.06517	5.4
97.10186	8.2
103.39462	1.3
105.07049	15.3
107.04935	4.6
107.08595	11.3
109.06514	5.1
109.10159	13.3
111.08099	7.0
113.79134	1.4
115.05443	3.0
117.07018	2.7
119.08579	14.7
121.06494	2.8
121.10144	10.2
123.08083	2.8
123.11717	6.7
125.09586	3.1
129.06999	7.0
131.08591	7.0
133.06454	1.4
133.08640	1.7
133.10129	9.0
135.08025	1.3
135.11723	3.5
137.09615	2.8
137.13234	4.1
142.07695	1.2
143.08539	2.4
145.10155	2.9
147.08032	2.6
147.11678	11.2
149.09607	4.2
149.13220	2.8
157.10120	7.3
161.13240	3.6
163.14827	1.9
165.16327	1.6
171.11803	1.6
175.11201	7.8
175.14830	2.5
185.13550	1.3
193.12219	19.1
204.74014	1.3
227.12813	2.2
237.14954	1.6
245.22551	4.8
249.14957	2.3
263.23669	4.3
267.15918	100.0
303.26825	2.5
337.27362	91.2
421.25922	1.6
437.34024	2.6
455.35345	6.1
473.36331	2.3
529.38904	76.3
530.39288	2.1
547.39954	34.2
561.41504	2.4
572.69202	1.4
614.48199	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03950	2.0
55.01873	1.2
55.05518	14.9
57.03439	3.4
57.07088	3.6
58.74534	0.6
65.03950	2.0
67.05509	45.5
69.07075	14.2
69.07457	0.9
70.79832	1.5
71.04988	1.8
79.05496	25.5
81.07064	50.7
83.04986	1.5
83.08629	8.1
85.06541	1.5
85.10195	0.9
91.05492	20.3
93.07052	32.2
95.04996	2.2
95.08614	41.3
97.06551	2.7
97.10169	4.5
98.20811	0.7
99.08103	1.6
101.11981	0.7
103.05429	0.9
105.07038	22.4
106.50264	0.7
107.08598	20.4
109.06575	1.0
109.10166	20.8
111.08093	1.6
111.11728	1.2
115.55283	0.7
117.07045	7.5
119.08584	20.2
121.10149	17.5
121.11013	0.9
123.08125	1.1
123.11738	7.0
125.09627	1.6
128.06305	0.8
129.07018	4.1
131.08586	16.1
131.09537	1.2
133.10144	17.9
133.11092	1.3
135.11710	11.8
137.13275	2.6
141.07024	1.0
143.08571	5.1
145.10127	14.9
147.11702	10.5
149.09703	0.8
149.13281	8.6
150.44778	0.7
153.12724	0.8
155.08548	2.1
157.10126	5.8
159.11716	11.7
161.13255	9.3
163.14847	3.2
165.16367	1.0
169.10162	2.5
171.11723	5.6
173.13295	9.1
175.14842	5.7
177.16360	1.5
179.14383	1.1
181.10255	0.9
183.11761	2.5
185.13277	4.5
187.14807	6.5
189.12737	0.7
189.16409	2.6
191.17952	1.3
197.13196	1.7
199.14827	3.9
201.16455	2.4
203.18027	1.8
211.14824	0.8
213.16454	2.4
215.17975	2.0
217.19637	1.3
225.16370	1.2
227.18030	1.2
229.19551	1.3
233.19052	1.0
241.19614	2.3
243.21181	1.9
245.22752	1.1
259.20691	5.9
259.24210	0.9
261.22220	7.3
263.23782	0.8
273.22504	0.8
277.21625	1.5
285.22192	0.9
287.23700	1.6
299.23840	1.9
309.24673	0.8
313.25394	1.9
315.23184	0.9
317.24844	1.1
323.26199	0.8
333.24182	4.7
335.25812	12.6
337.27347	6.9
355.29861	1.1
361.27200	1.0
475.33850	0.7
477.35764	1.0
489.35788	1.8
503.36948	1.3
505.38739	1.1
517.38763	1.0
521.43787	4.0
529.38910	1.7
531.40875	1.0
539.44574	3.9
543.40704	1.9
590.04700	0.9
595.47192	10.1
613.48303	100.0
614.48041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.43188	0.7
53.03942	1.3
55.01876	0.9
55.05268	1.0
55.05515	14.4
57.03445	4.7
57.07073	3.3
65.03945	2.1
67.05508	42.4
69.07071	14.9
71.04996	2.2
71.08653	1.1
77.03940	0.7
79.05495	23.4
79.48503	0.6
81.07060	45.1
83.04990	1.2
83.08620	7.0
91.05487	19.1
93.07049	28.3
95.04962	1.7
95.08610	37.0
97.06526	2.7
97.10184	3.8
98.20718	1.4
99.08117	0.8
105.07037	19.6
107.08602	16.6
109.06544	0.9
109.10164	19.1
111.08076	1.2
111.11745	1.4
117.07016	8.5
119.08591	18.1
121.10147	14.9
123.08064	0.9
123.11697	8.6
129.07005	3.2
131.08583	15.5
133.10138	14.9
135.08084	0.7
135.11700	11.9
137.09546	0.7
137.13297	2.8
139.11200	1.0
141.06941	1.2
143.08572	5.6
144.31137	0.7
145.10136	13.9
145.11288	0.7
147.11697	12.6
149.09668	1.2
149.13290	6.7
151.14848	1.0
155.08607	1.9
156.09343	1.0
157.10095	4.5
159.11700	12.3
161.13249	8.9
163.14847	4.1
165.12827	0.9
169.10191	1.8
171.11644	5.9
173.13280	9.3
175.14804	3.8
177.16452	1.4
183.11734	1.9
185.13301	4.7
187.14857	5.8
189.16411	1.8
191.18040	1.0
195.11809	1.3
197.13350	1.5
199.13237	0.7
199.14870	2.8
201.16391	3.0
203.17967	1.6
209.13318	1.3
211.14877	1.1
213.16437	2.0
215.18013	0.8
217.19548	2.2
229.19498	1.2
231.21123	1.2
239.18182	1.0
241.19650	2.9
243.21082	1.7
247.20630	1.1
257.18848	0.8
259.20602	7.5
261.18292	0.8
261.19165	0.7
261.22131	8.1
263.23740	1.3
273.22308	0.8
279.23215	0.8
287.23825	1.4
295.22601	0.6
299.23764	1.7
301.25165	1.0
307.22772	0.7
313.25287	0.8
315.23175	1.1
317.24768	1.5
333.24301	5.1
335.25818	14.3
337.27530	8.0
347.26065	0.8
349.27527	0.8
355.30246	1.1
375.29108	0.8
415.32315	0.9
475.34332	0.9
489.35721	1.0
503.37119	1.6
505.38846	0.9
517.39301	1.5
521.43457	4.6
529.39117	1.3
531.41370	1.0
539.44690	3.3
543.40607	1.2
573.62640	0.7
595.47150	10.7
613.48279	100.0
614.48779	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.2
56.96566	36.1
67.05497	5.4
69.26086	5.2
69.26511	5.9
71.95245	3.7
79.05481	3.0
81.03378	1.4
81.07042	4.1
83.04977	1.5
84.96020	4.3
91.05453	3.5
93.07043	3.5
95.04982	1.6
95.08602	2.7
98.97587	84.8
105.06976	2.5
107.08571	1.6
109.10099	1.1
110.97592	6.4
112.99139	36.5
116.98624	33.6
119.08588	1.6
124.99129	2.6
128.98604	5.6
131.00174	45.6
131.08600	1.6
133.10132	1.2
134.99663	7.6
140.00159	6.5
140.98611	3.9
143.00163	9.0
146.99651	3.3
149.01225	22.4
152.00214	1.4
152.98608	1.5
154.01721	5.6
157.01724	1.7
158.01170	1.3
158.99660	42.5
161.01241	8.7
167.02272	3.0
170.99640	4.7
172.02846	3.1
173.01219	8.0
176.99184	2.1
177.00716	35.4
182.01263	1.3
185.01233	4.0
186.81151	1.4
189.00714	3.9
191.02348	6.5
195.01808	1.8
199.02776	9.8
200.02324	5.8
203.02278	4.9
209.01231	4.4
215.02281	3.0
217.03828	4.9
219.01738	7.1
227.02199	2.3
233.03314	1.9
237.02788	4.9
240.05534	1.4
275.04395	18.6
293.05450	53.1
294.29462	1.5
309.04956	1.4
311.06451	9.6
316.07077	9.6
317.17874	100.0
334.08118	3.2
335.18976	28.7
358.20575	13.5
359.19040	1.6
377.20013	10.4
391.21472	2.1
497.24121	6.6
553.26843	79.6
554.27332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
53.91967	0.3
55.01852	0.4
62.19292	0.3
65.03946	1.8
67.01878	0.3
67.05487	1.3
69.03405	0.8
70.87789	0.7
70.88143	0.4
76.66024	0.3
78.04340	0.3
78.04729	2.4
79.05492	2.0
81.03414	1.0
81.07038	0.6
82.04193	1.0
85.02921	1.6
91.05488	4.3
93.03395	1.1
94.04178	0.5
95.04964	1.3
97.02923	0.3
97.06523	1.1
103.05470	2.9
105.03355	0.8
105.04502	0.5
105.06999	0.9
106.04204	1.8
107.04959	1.9
108.02094	0.3
109.02877	0.3
109.06492	0.4
109.10129	0.4
110.03655	1.1
111.04420	1.0
115.05456	5.4
116.06227	0.4
117.07019	9.2
118.04192	0.3
119.04935	4.4
119.08560	0.6
121.06468	0.4
122.03649	1.0
123.04436	8.2
124.05214	2.6
125.05999	0.9
127.05440	1.7
130.04163	0.3
131.04913	1.5
133.02850	0.6
133.06474	0.7
134.03569	0.3
135.04417	0.6
137.02405	0.3
137.05989	6.9
138.03120	0.8
139.07588	0.5
140.04684	0.4
142.02568	1.2
143.04886	0.7
144.05659	0.4
145.06493	13.7
147.04419	5.4
147.08052	0.6
148.05113	0.4
151.03912	4.2
151.07516	0.8
152.04665	2.4
153.05493	3.1
155.04845	0.5
155.06033	5.8
155.07147	0.4
158.03589	0.4
159.04301	0.3
161.05981	0.7
163.03894	1.4
163.07532	0.6
165.05458	0.9
167.07045	100.0
168.07359	0.4
171.06554	1.1
173.05994	24.1
175.07526	1.0
177.05478	0.7
179.06973	1.5
181.04962	35.3
188.04730	0.4
189.05504	0.6
190.06215	0.6
191.07043	2.2
201.05583	0.7
203.07014	1.0
205.08612	6.1
207.06500	0.5
219.06396	0.4
219.08237	0.4
231.06490	1.0
233.08101	4.6
234.06726	0.5
235.07558	0.6
235.09657	4.9
249.05357	0.4
264.07935	0.3
265.08630	0.4
283.09741	0.6
287.05536	0.5
293.08035	0.9
297.11258	0.5
310.08334	0.9
325.10660	1.0
353.10181	0.3
357.13333	3.0
385.12845	18.8
386.13544	0.4
387.14380	6.1
411.14462	0.3
415.13458	0.4
417.10049	0.7
417.15439	11.2
560.12842	0.4
583.21661	3.3
613.22729	54.7
614.23181	0.8
618.04541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.03414	0.7
60.26546	0.6
67.05506	3.4
69.07049	1.6
71.08649	0.9
71.42821	1.0
79.05505	2.9
81.03402	1.3
81.07055	3.0
83.04983	1.0
83.08628	1.0
85.02904	0.7
91.05476	2.3
92.05801	0.5
93.07047	1.9
95.08607	2.7
105.07038	1.7
107.08577	1.3
109.06521	1.9
109.10143	0.9
111.08107	0.7
117.07018	0.7
118.36590	0.7
119.08597	1.1
121.10165	1.3
131.08519	1.4
133.10112	0.8
135.11716	0.6
147.11681	0.6
159.01103	0.6
211.13295	1.1
249.10976	1.7
261.04474	0.6
285.16946	0.8
293.21188	1.8
294.21426	2.0
319.45251	0.8
336.42563	0.7
340.26404	0.7
366.15039	1.0
367.19247	1.0
379.15237	0.9
381.17072	2.0
393.16992	0.9
394.17697	0.8
395.18680	2.8
396.19620	3.0
397.20468	0.8
409.16571	2.1
409.20981	0.9
411.21936	1.8
412.46344	0.7
421.16312	0.9
422.16913	0.7
423.18100	2.7
424.18576	3.8
437.15601	2.0
437.20471	1.3
438.20529	1.9
439.21307	4.7
451.17130	5.2
452.18546	2.6
465.19067	2.2
466.19928	3.4
467.20554	3.2
479.20816	3.4
482.23560	0.9
483.23834	1.4
493.22183	1.9
497.25684	1.6
510.22571	1.9
521.21973	1.2
525.25043	10.0
538.22052	2.3
539.22925	1.1
553.24487	16.8
578.38312	0.8
581.23566	1.1
613.26337	100.0
613.33594	6.0
614.26624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54371	1.5
53.92535	1.4
55.05497	1.9
56.96297	2.5
56.96564	31.4
61.90887	1.2
67.05497	4.4
69.07059	2.1
71.95257	2.4
79.05469	5.7
81.03417	2.6
81.07052	7.2
82.07355	1.5
83.08607	1.7
84.96033	4.8
91.05451	2.4
93.07040	4.1
95.04944	2.1
95.08617	4.2
97.06567	1.9
98.97586	85.7
100.79613	1.4
105.07008	4.7
107.08587	2.7
110.97568	5.0
112.98406	2.2
112.99136	34.1
116.97826	2.3
116.98621	34.6
117.07019	1.9
119.08564	1.9
121.10134	2.8
124.99113	2.9
128.98596	6.4
131.00175	41.3
131.08569	2.1
133.10117	1.7
134.99689	6.8
140.00194	7.6
140.98586	2.0
143.00148	7.8
145.10237	1.5
146.34796	1.3
146.99664	2.3
149.00134	1.7
149.01230	25.6
151.11128	1.5
154.01724	5.7
157.01730	2.2
158.99648	34.5
161.01155	7.7
162.99178	1.6
167.02246	3.2
170.99701	4.1
172.02791	3.0
172.38768	1.4
173.01219	4.5
175.02760	2.8
175.11075	1.5
177.00722	37.1
185.01222	2.1
185.04942	1.5
189.00710	4.8
191.02277	5.7
193.12260	2.6
195.01782	2.4
199.02818	8.7
200.02313	6.0
201.00647	1.7
203.02177	6.4
209.01253	3.6
214.03831	2.5
215.02281	1.7
217.03828	6.1
217.66017	1.5
219.01776	9.9
226.03763	1.3
227.02274	1.6
233.03357	2.6
237.02805	5.6
240.05392	1.6
253.14285	1.3
269.17303	1.5
272.09210	1.6
275.04398	15.4
293.05438	50.5
311.06506	8.5
316.06931	7.8
317.17889	92.6
334.07977	2.8
335.18924	27.9
350.24063	1.6
358.20575	17.1
359.18674	1.7
377.20044	9.3
391.21454	3.5
480.30331	3.2
497.24088	6.2
553.26862	100.0
560.36090	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2282
Annotation	C11830
Peak:m/z	Relative Intensity
53.03930	0.9
55.01866	0.6
57.63453	0.2
61.87972	0.2
65.03942	2.4
66.04720	0.3
67.05495	0.8
67.39700	0.3
69.03413	0.7
70.92952	0.2
71.07864	0.3
71.08198	0.6
78.04713	2.8
79.05495	1.9
81.03411	0.7
81.07030	0.6
82.04170	0.8
82.31630	0.3
84.71339	0.3
85.02900	1.5
91.05486	3.8
93.03395	1.2
93.07012	0.4
94.04163	0.6
95.04978	1.7
96.05750	0.4
97.02901	0.3
103.05459	2.1
105.03395	0.6
105.07032	0.8
106.04173	1.8
107.04987	1.6
108.02078	0.6
109.02896	0.3
110.03669	1.4
111.04423	0.7
115.05456	5.5
115.31261	0.2
115.32969	0.3
117.07018	9.0
118.04135	0.3
119.04941	4.1
119.08599	0.4
122.03645	1.1
123.04428	7.8
123.11868	0.3
124.05200	2.3
125.05998	1.3
127.05452	1.4
129.07025	0.3
130.04178	0.4
131.04912	0.9
133.06490	0.6
134.03651	0.5
135.04402	0.7
137.05983	9.1
138.03111	0.8
139.03955	0.4
142.02605	1.1
143.04926	0.8
144.05687	0.5
145.06490	13.9
147.04416	4.8
147.08095	0.7
148.05193	0.3
151.03914	2.2
151.07567	0.6
152.04668	2.6
153.05466	2.5
155.04858	0.5
155.06044	6.3
160.05174	0.5
161.06020	0.7
165.05484	0.6
167.07037	100.0
168.07373	0.3
171.04379	0.5
171.06548	1.2
172.05267	0.5
173.05986	25.0
175.07518	1.0
177.05368	0.4
179.07014	1.4
181.04958	31.3
189.05530	0.4
190.06255	0.3
191.07042	0.4
201.05501	0.6
203.07016	1.1
205.08626	5.0
205.10519	0.2
207.06375	0.3
209.60472	0.3
213.05632	0.3
219.06438	0.3
231.06540	0.8
233.05891	0.5
233.08084	4.5
233.10344	0.5
235.07521	0.3
235.09648	4.9
250.06389	0.3
265.08566	0.4
271.06009	4.3
287.05524	0.4
293.08063	0.5
295.09753	0.3
297.11295	0.8
310.08505	0.3
325.10709	0.5
326.11679	0.4
342.10764	0.4
353.10178	0.4
355.11899	0.4
357.13272	3.3
381.13422	0.5
385.12808	18.0
387.14392	8.0
417.15411	12.8
515.16290	0.4
583.21783	3.5
613.22784	56.1
614.23242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.2
55.01867	6.2
55.05515	46.5
56.05030	3.3
57.03441	20.1
60.35823	3.3
65.03928	5.5
67.05505	88.2
69.03419	9.2
69.07079	40.6
69.37743	28.5
71.04975	9.5
73.40099	3.0
79.05494	83.4
81.02982	5.6
81.03421	69.3
81.06588	5.6
81.07062	100.0
83.04612	2.7
83.04993	27.0
83.08627	32.3
85.02904	32.5
85.06528	4.6
88.29881	4.0
91.05478	89.2
91.06021	6.4
93.07049	67.6
95.04971	45.4
95.08616	38.8
97.06549	20.3
97.10175	16.2
99.08088	4.2
105.07034	65.0
105.93194	3.1
107.04945	16.3
107.08601	44.8
109.06511	9.5
109.10208	15.7
111.04448	4.0
111.08058	15.4
115.05392	4.3
117.07001	18.1
119.08578	47.8
121.06520	5.7
121.10127	33.2
123.08076	8.3
123.11729	6.5
125.09613	10.5
129.07034	22.4
129.61771	3.1
131.08566	36.3
133.06508	4.1
133.10133	39.3
135.08035	6.4
135.11682	14.8
142.07771	7.1
145.10130	20.0
147.08090	4.7
147.11699	37.2
149.09689	22.6
149.13245	8.1
151.11292	3.6
157.10123	21.8
159.11702	18.1
161.13298	4.5
163.11179	12.0
165.12697	4.8
169.10149	4.3
173.13261	8.2
175.11212	21.2
177.12717	3.9
179.14313	4.2
183.11755	6.0
185.13200	5.0
189.11194	6.2
191.06947	4.2
193.12257	62.0
195.13850	7.3
211.13287	81.1
227.12775	14.7
239.17966	4.2
247.20589	3.8
254.63887	3.3
255.15871	14.3
257.19061	12.1
267.15942	28.3
269.17511	15.7
275.20050	49.1
285.16959	61.1
285.19928	2.8
300.18576	6.2
310.66522	4.2
317.19501	9.3
318.19797	11.7
331.22552	5.7
349.23746	35.0
383.10989	3.6
447.27164	5.6
461.28876	14.5
465.28387	16.2
479.30005	57.3
496.33313	3.8
541.34912	10.2
559.36053	30.4
577.37299	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01640	2.0
50.58256	1.7
51.02354	1.9
53.03938	7.6
55.01850	1.6
55.05516	17.6
55.13764	1.7
56.05584	1.6
57.03436	21.4
57.07069	2.8
59.42628	1.7
65.03936	2.9
67.05509	64.1
69.06800	1.6
69.07076	17.1
71.04993	2.6
79.05494	49.0
81.03423	85.9
81.07061	62.3
83.04961	5.1
83.08622	23.5
85.06534	2.2
91.05486	35.4
93.06489	3.0
93.07048	45.8
95.04974	28.9
95.08608	45.2
97.06525	5.5
97.10172	5.2
99.08117	1.8
105.07039	24.2
105.64941	1.6
107.04944	5.7
107.08608	24.1
109.06512	4.3
109.10159	22.5
111.08077	5.9
117.06992	8.5
119.08591	26.7
121.06504	3.4
121.10144	23.2
123.08116	2.3
123.11691	8.4
123.28938	1.7
125.09647	3.6
129.07014	10.9
131.08577	16.0
133.06482	4.5
133.10139	13.1
135.11705	12.1
137.09618	2.8
141.06927	2.0
143.08575	2.6
145.10133	11.8
147.08052	2.8
147.11668	13.7
148.59662	1.9
149.09605	6.0
149.13274	9.2
151.11279	1.9
157.10143	12.9
159.11719	8.4
161.13264	5.8
163.14806	5.6
165.12706	2.9
171.11749	4.5
173.13257	6.9
175.11192	7.4
175.14845	3.6
183.11650	2.1
187.14798	3.9
189.11264	2.1
193.12288	18.0
213.16348	2.0
227.12773	5.7
243.21118	3.6
261.22174	17.6
267.15933	100.0
301.25198	4.4
335.25821	89.3
336.26471	2.1
435.32614	3.6
453.33466	5.9
471.34540	6.4
509.36139	3.0
527.37396	58.7
545.38446	27.4
559.39404	2.6
612.27692	6.0
612.47015	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03942	2.4
55.01870	1.8
55.05517	13.2
55.79389	0.7
57.03435	4.6
57.07068	3.2
65.03940	2.2
67.05509	38.2
69.07069	13.8
69.62910	1.4
69.63318	3.2
71.05005	1.8
71.08624	1.2
73.94251	0.6
79.05496	26.7
81.03436	0.8
81.07061	41.3
83.05004	2.4
83.08631	6.8
85.06536	1.7
89.06063	1.1
91.04901	1.5
91.05475	25.7
93.07047	35.3
95.04983	3.2
95.08608	35.0
96.08945	1.1
97.06541	3.0
97.10162	2.9
99.08099	1.6
105.04542	1.3
105.07039	27.5
107.08599	18.9
109.06503	1.4
109.10154	13.9
111.08081	1.7
115.05456	1.7
117.07023	8.7
119.08591	23.5
121.06526	0.8
121.10149	17.2
123.08084	0.7
123.11681	4.6
128.06229	1.7
129.05568	0.7
129.07016	7.9
130.07751	1.6
131.08569	18.5
132.09041	0.6
133.08621	1.0
133.10139	16.7
134.26451	0.7
134.71573	0.7
135.07973	0.9
135.11708	10.1
137.09601	1.0
137.13252	2.0
141.07036	2.2
142.07817	2.0
143.08548	9.4
143.72795	0.7
145.10136	16.7
147.11691	13.9
147.12766	0.9
149.09578	1.3
149.13261	5.6
155.08540	4.2
156.09370	0.8
157.10143	10.4
159.11697	12.6
161.13251	10.6
163.14870	2.9
167.08594	1.9
167.14384	0.8
169.10144	5.4
171.11707	9.1
173.13258	9.0
175.14807	4.9
177.12694	1.1
177.16469	1.3
181.10188	2.4
183.11705	5.0
185.13286	7.9
187.13364	0.9
187.14864	6.0
189.16359	1.7
191.14281	0.8
193.10185	1.1
195.11699	1.9
197.13335	4.4
199.14795	5.8
201.16417	2.8
203.18178	0.9
207.11835	0.8
209.13362	1.9
211.14896	3.1
213.16440	2.4
215.17975	2.2
217.19589	1.1
223.14850	1.2
225.16473	2.2
227.17989	1.5
229.19551	1.2
231.21143	2.1
235.17065	0.7
237.16431	1.1
239.18011	1.9
241.19594	9.0
243.21159	2.0
247.83887	0.8
251.17926	0.7
255.21260	0.9
257.19110	3.2
259.20538	14.7
261.22150	4.4
262.29868	0.9
265.19385	0.8
267.15884	1.3
269.22870	1.0
275.20139	0.9
285.22281	1.3
297.22089	1.3
299.23743	0.9
311.23761	1.3
315.23260	1.8
317.25043	1.0
333.24237	12.4
335.25797	18.8
337.27737	1.7
381.31668	0.9
467.34763	0.9
501.35471	1.1
519.41901	5.3
527.37708	1.4
529.39124	1.2
537.43353	3.9
541.39258	1.6
593.45844	8.0
611.46716	100.0
612.47278	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	15.4
55.01871	6.4
55.05515	33.5
57.03445	28.9
57.07064	5.1
65.03935	4.1
67.05182	6.1
67.05511	90.1
67.62060	4.1
69.03436	10.1
69.07065	36.8
71.04966	11.1
71.36224	5.3
71.36572	5.2
73.04800	3.7
77.14038	3.9
79.05492	80.2
81.03424	72.3
81.06590	5.9
81.07061	100.0
81.67328	4.6
83.04990	26.3
83.08626	42.0
85.02902	27.6
85.06538	8.7
91.05484	83.6
93.07039	71.6
95.04982	40.0
95.08617	39.8
97.06525	16.4
97.10172	11.6
105.07028	68.8
107.04951	15.8
107.08609	38.4
109.06540	14.8
109.10175	20.9
111.08075	20.2
113.06010	5.4
115.05445	7.0
117.07037	15.5
119.08590	47.6
121.06538	6.7
121.10118	23.3
123.08070	4.8
123.11726	4.2
129.06998	19.9
131.08562	33.8
133.06511	7.6
133.10136	32.8
135.08078	5.4
135.11703	20.7
137.09648	7.8
142.07884	4.0
145.10091	19.9
146.12039	4.6
147.08058	7.5
147.11711	30.3
149.09604	16.2
149.13240	13.0
155.08531	5.8
157.10156	23.7
159.11693	14.3
163.11189	6.7
173.13390	5.6
173.43719	3.8
175.11186	17.7
177.12790	6.3
179.14340	5.6
180.78409	3.8
193.12245	59.2
195.13768	4.7
211.13310	90.9
227.12894	5.5
230.11562	4.4
253.68893	4.5
255.15829	24.5
257.18866	7.2
264.28757	4.4
267.15942	31.1
269.17487	35.1
275.20071	32.4
285.16965	73.4
313.21271	4.4
349.23532	24.2
360.72040	5.0
367.24719	7.6
401.32538	4.4
447.27280	12.2
461.28915	24.8
465.28778	19.6
479.30103	90.9
541.35168	5.0
559.36029	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01871	1.4
55.05266	1.1
55.05516	16.3
57.03442	6.1
57.07075	3.2
63.07849	0.6
65.03946	2.7
67.05508	44.8
69.03436	0.8
69.07072	15.5
69.19621	3.7
69.20048	2.8
71.04983	2.2
71.08615	1.5
73.91216	0.7
79.05499	32.4
81.07062	45.1
83.04984	1.7
83.08626	8.9
85.06547	2.5
86.39804	0.6
91.04906	1.3
91.05482	31.1
93.07049	39.1
95.04984	3.0
95.08611	38.2
97.06537	3.1
97.10176	3.0
99.08080	0.9
103.05458	1.5
105.04499	1.1
105.07037	36.4
107.08600	22.4
109.06512	1.6
109.10165	16.0
111.08112	1.7
115.05439	1.4
117.07027	13.6
119.08585	26.4
121.10149	20.0
123.08089	1.2
123.11707	5.6
128.06241	1.7
129.07022	9.5
130.07774	1.1
131.08574	23.0
131.88353	0.6
133.10136	21.9
133.11096	1.3
135.11699	12.6
137.09668	0.9
137.13290	1.3
139.11154	0.8
141.07016	2.6
142.07814	2.0
143.08571	12.8
144.09357	0.8
145.10130	21.3
147.11697	19.3
149.09625	1.1
149.13249	7.2
155.08548	5.6
156.09424	0.9
157.10141	12.1
158.10941	0.7
159.11703	17.4
161.13277	13.9
163.14836	3.1
165.12814	0.9
167.08595	1.2
169.10139	6.7
171.11699	11.7
172.12477	0.9
173.13268	14.8
175.14816	5.5
177.12869	0.9
177.16426	1.4
181.10210	2.2
183.11708	7.6
185.13277	11.6
187.11180	0.7
187.14816	6.4
189.16463	1.6
191.14381	0.8
193.10194	0.8
195.11719	2.3
197.13257	4.6
199.14827	7.4
201.16406	2.9
203.14294	0.9
203.17941	1.3
207.11749	1.5
209.13304	2.0
211.14832	4.4
213.13023	0.9
213.16451	4.0
215.17931	3.2
217.15941	1.1
223.14771	1.9
225.16457	2.5
227.18040	2.0
229.19547	1.4
231.21097	2.6
237.16406	1.6
239.18083	3.2
241.19566	9.9
243.21155	1.7
251.18034	0.8
253.19582	1.5
257.19086	4.6
257.22675	0.9
259.20609	20.2
261.22165	3.8
265.19617	1.0
271.20392	0.9
273.22086	0.9
275.20178	1.2
277.21854	1.0
283.20508	0.7
297.22171	1.7
299.23822	1.3
311.23749	0.7
313.25320	1.0
315.23111	1.8
327.23352	0.7
331.22620	0.8
333.24216	11.9
335.25812	17.8
337.27380	1.7
339.26724	1.1
351.26871	1.0
353.28146	1.8
355.25961	0.7
367.29959	1.0
381.31848	1.2
396.99945	0.7
411.33130	0.9
423.32874	1.1
463.34863	0.9
475.34344	0.8
476.22238	0.8
487.34531	1.0
489.35721	1.0
501.35593	1.6
503.37555	1.3
508.80661	0.9
519.41956	6.0
527.37488	1.3
537.43170	3.0
541.39020	1.8
555.66785	0.8
593.45599	8.3
611.46722	100.0
612.46930	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2863
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
50.71142	0.2
52.10806	0.2
52.51227	0.2
57.24933	0.2
66.22626	0.2
67.05514	0.6
69.07085	0.2
70.17237	0.9
73.04766	0.2
81.07065	0.6
91.05499	0.3
98.20779	0.2
105.07068	0.2
109.10189	0.2
121.10110	0.2
136.93132	0.5
154.94168	1.7
155.04976	0.2
172.95227	1.5
183.09200	0.3
190.96492	0.3
195.96910	0.3
210.96834	0.6
228.97917	0.9
274.11435	0.2
287.14221	0.4
300.15195	0.2
303.05109	0.3
314.16571	0.2
316.99429	0.2
373.02090	0.2
377.17834	0.4
379.19284	0.7
387.15796	0.2
388.16470	0.3
390.18527	0.4
391.19434	1.2
392.20282	0.7
393.20956	0.6
403.19092	0.5
404.20325	0.3
405.17120	1.6
405.20972	1.2
406.17929	0.7
406.22403	0.4
407.17844	0.4
407.22668	3.4
409.20444	0.4
417.21313	0.4
418.17267	1.1
419.17972	3.0
419.23050	0.9
420.19052	1.3
420.24405	0.3
421.20297	2.5
421.24805	0.2
422.21378	0.6
423.21811	1.2
431.18738	0.7
432.19238	0.4
433.20181	7.4
434.21124	2.8
435.17859	2.7
435.22086	3.4
436.18976	0.9
437.23544	3.7
438.24234	0.7
445.20135	0.3
446.21072	1.4
447.21954	2.2
448.22488	0.9
449.19333	4.3
450.20377	2.0
451.21078	2.6
453.22830	0.4
461.24026	0.4
463.21066	3.0
464.22021	6.6
465.22879	6.3
477.23050	2.8
478.23444	0.8
479.20306	0.3
479.25369	0.3
481.22507	0.4
489.22659	0.2
491.25406	0.9
492.25775	0.3
493.22476	0.7
493.26892	0.3
495.24408	0.3
496.24808	0.7
505.21649	0.3
509.21417	2.2
519.24121	0.5
520.25024	0.2
521.25513	5.7
522.22662	0.4
523.23773	1.0
523.26282	0.8
533.25360	0.7
536.24371	0.5
537.25055	0.3
551.26532	25.5
552.27075	0.3
579.25641	0.6
580.26288	0.5
581.27478	1.2
583.29395	0.4
593.27631	1.1
594.28027	0.2
596.26477	0.2
611.28650	100.0
612.28973	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61429	0.4
55.05511	2.3
56.96534	0.9
58.99863	2.9
59.38738	0.5
64.76675	0.4
67.05499	2.8
69.07031	1.3
77.00907	9.5
79.05499	4.8
81.07066	3.4
83.08602	0.8
90.79867	0.4
90.80965	0.4
91.05478	3.0
93.07033	4.6
95.01945	5.9
95.08620	2.5
97.02921	0.5
97.10118	0.8
100.02452	1.1
105.07030	2.7
107.08552	2.0
109.10118	0.9
113.00816	0.8
117.06952	1.3
119.08561	3.0
121.10166	2.4
129.06956	0.6
131.01062	0.7
131.01909	8.8
131.08525	1.7
133.03384	0.8
133.10086	1.5
135.11638	1.6
143.08473	0.6
145.03452	0.5
145.10150	2.2
147.04381	0.8
147.11641	1.3
149.02995	3.2
153.03923	0.5
154.03397	0.9
155.05472	1.1
157.10114	0.6
159.05035	1.1
159.11740	1.1
161.13174	0.6
171.05072	0.6
171.11632	0.7
173.06555	1.8
173.13234	0.8
185.06624	0.8
187.08128	1.9
189.11261	0.5
191.07629	1.1
193.10672	0.5
195.08658	0.6
197.10168	1.2
198.07335	0.5
199.08049	0.7
201.07904	0.6
201.09668	2.0
201.11272	0.5
205.07132	0.8
205.09065	1.1
205.10788	1.0
209.10146	1.5
210.63023	0.6
211.11813	0.6
213.09657	0.8
215.09305	1.1
215.11223	6.0
219.08733	0.7
219.10602	0.9
223.11827	1.0
225.09663	0.8
227.11218	1.1
229.10777	0.9
229.12817	2.8
231.12300	1.0
233.10181	0.6
233.14005	0.8
238.12898	0.6
241.12617	0.5
243.14360	1.3
245.10362	0.7
247.11804	3.6
247.13945	0.8
248.12329	0.5
249.13345	1.4
254.13770	0.7
259.15652	0.5
261.13306	2.9
269.17609	0.9
270.13443	0.7
275.14941	1.8
279.18027	0.6
289.16507	1.0
295.15158	0.6
297.17020	5.6
299.18558	85.8
300.18756	1.3
301.16748	1.0
301.20108	2.6
303.04871	0.5
313.16605	2.8
315.18109	21.3
316.16595	0.7
317.19620	100.0
318.19904	1.2
319.21130	4.0
325.16486	0.7
325.20135	0.9
329.19559	0.8
331.21259	1.0
333.17261	1.5
334.17758	1.5
335.16943	1.1
335.20740	22.3
338.19617	3.0
340.21231	21.4
341.20099	0.6
342.22748	1.1
343.21237	1.1
355.21243	1.0
357.22937	1.1
358.22327	2.5
365.23343	0.8
367.20959	0.7
369.22977	0.8
371.24329	0.8
381.22809	0.9
383.24210	1.2
391.24670	0.8
395.24307	0.8
397.26376	0.5
409.25632	1.3
423.27985	0.6
437.29114	1.0
505.31531	1.6
519.33246	0.7
557.38757	0.7
575.39301	8.7
593.40442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
51.75285	0.2
56.48011	0.1
57.07508	0.2
67.01841	0.3
70.06561	0.2
71.04997	0.2
72.22681	0.1
79.11376	0.1
82.89999	0.2
85.02884	0.4
93.07014	0.2
94.29331	0.1
97.02894	0.2
98.97598	0.2
107.04949	0.4
109.10108	0.1
116.24223	0.2
135.04411	0.9
137.02332	0.2
151.03856	0.2
153.01831	2.8
161.02325	0.3
165.09071	0.3
241.04880	0.2
247.25815	0.2
269.04614	0.2
287.05505	100.0
288.05792	0.8
303.05020	0.5
449.10822	41.3
450.11066	0.4
475.15216	0.2
504.19934	0.2
507.73306	0.2
523.90436	0.2
611.15448	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	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03429	4.5
61.02922	4.3
67.05473	2.2
69.03427	3.9
69.07059	1.8
70.48634	3.3
70.49033	4.2
73.02894	2.2
74.06139	1.5
79.05463	2.8
81.03410	5.0
83.04973	2.4
85.02919	11.7
87.04429	2.2
91.05489	3.0
95.04985	1.7
95.08595	2.0
97.02899	5.2
98.97603	9.0
102.08832	1.4
103.03950	2.9
105.07020	2.8
107.04943	2.5
107.08593	2.5
109.02885	3.2
109.06519	6.9
110.97581	2.0
119.08520	1.7
120.75205	2.0
123.04440	1.4
123.08064	3.2
127.03943	3.5
135.04436	6.4
137.02347	25.8
139.03922	2.6
147.04407	1.5
151.03984	1.7
159.04437	2.3
161.02380	3.4
161.13280	1.9
163.03935	2.1
172.03299	1.6
173.02370	1.8
175.03918	3.3
177.01886	3.7
179.03430	4.9
187.03975	2.7
187.07748	1.5
189.01831	8.6
189.12842	2.0
191.03372	4.8
193.08646	2.4
195.02866	5.2
203.03424	10.6
207.02872	7.8
207.13806	10.0
207.33086	1.5
209.11964	1.7
213.05362	1.8
217.04982	4.1
219.03044	3.1
229.04913	3.4
240.66173	2.1
247.06009	1.7
255.02946	2.8
257.04486	1.9
265.07541	1.8
267.06708	2.1
283.05795	3.0
284.06808	4.5
285.04028	3.1
287.05582	17.0
287.68564	1.7
295.06018	5.6
297.07458	4.9
298.04807	2.0
299.05429	7.1
307.05942	2.3
309.07608	5.1
310.04755	16.9
311.05515	69.8
312.06122	8.0
313.06989	7.8
318.12274	1.7
323.05521	47.7
323.11469	2.6
324.06219	16.3
325.07056	13.3
329.06509	4.4
333.07480	2.7
335.05505	5.3
336.06274	3.7
337.03729	2.5
337.07114	25.0
338.07837	9.6
339.04852	2.4
339.08621	4.6
341.06573	92.2
349.07034	9.4
351.08569	14.8
352.05701	3.1
353.06583	60.1
361.07257	2.1
363.08627	10.3
365.06561	28.3
367.08133	22.8
371.07654	19.6
373.07114	2.0
377.06467	15.6
377.10504	1.8
379.08118	6.9
381.09534	12.0
383.07513	3.1
389.06464	6.9
391.08063	10.0
395.07632	53.4
401.06503	3.6
405.09631	2.9
407.02710	2.9
407.07651	30.1
407.21378	1.9
419.07452	18.7
419.12277	1.9
425.03189	2.4
425.08701	36.2
427.12186	1.8
431.07822	2.8
437.08685	26.2
443.09741	34.4
449.09729	5.9
455.09760	27.1
461.09537	5.4
473.10840	100.0
479.09949	4.5
491.11981	20.5
497.10699	24.6
503.10333	2.5
509.10342	3.2
515.11792	21.1
521.10754	6.6
527.11908	28.3
539.11859	23.2
545.12885	10.5
557.12952	27.0
575.13995	26.3
593.15137	13.4
611.15857	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	611.1393
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
53.00319	1.1
55.01865	1.0
57.93387	0.9
58.50564	0.7
60.39361	0.8
67.05514	1.0
68.99789	7.2
69.03429	1.0
69.68089	4.2
69.68517	1.4
79.05507	1.4
81.03419	2.2
85.02898	3.0
85.46992	0.8
93.03416	1.0
95.04967	0.9
97.02885	1.2
98.20853	1.3
98.97588	3.1
105.03354	1.4
107.04961	9.5
108.53559	0.9
109.02882	4.2
111.00819	5.2
111.04411	1.6
119.04920	1.0
120.08083	2.6
121.02849	1.7
121.08418	0.9
123.04416	9.9
127.03921	83.6
131.04993	1.3
133.02853	3.2
135.04417	3.8
139.03908	100.0
147.04417	5.6
149.02359	2.4
151.03909	26.6
153.01816	1.9
153.05548	1.4
155.03442	2.0
159.04425	1.4
161.05968	2.2
163.03938	10.9
165.05511	2.8
166.08649	1.7
167.03366	6.2
169.04913	1.0
171.04416	1.5
175.03905	11.7
177.05489	6.0
179.03397	34.2
181.05014	4.3
185.06001	1.9
189.05554	4.2
191.03391	12.7
193.04985	4.1
199.03966	2.6
201.05589	2.2
203.03404	19.7
205.05006	2.5
213.05505	3.8
214.42990	1.0
217.04979	3.0
219.01863	2.2
219.06508	1.1
227.03590	1.1
229.05031	8.3
231.06555	3.1
233.04468	6.9
237.02917	1.9
241.05020	1.9
245.04478	11.8
247.06073	1.4
251.05592	2.1
253.04956	1.3
257.04468	16.6
258.05087	1.1
259.06018	3.6
263.05545	17.6
269.04459	4.0
271.05981	2.5
275.05536	22.2
277.06909	0.9
287.05505	39.5
289.06989	2.6
299.05518	15.3
301.07275	1.2
305.06488	12.6
307.08170	10.7
311.05606	1.3
317.06595	22.2
319.07855	1.6
341.06863	1.2
407.07819	1.1
425.08667	23.3
437.08951	1.1
443.09775	18.6
611.18500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03947	0.4
55.01873	0.3
57.03440	1.8
60.16684	0.3
61.02918	0.7
68.99792	0.3
69.03414	1.2
71.04999	10.6
71.17814	0.6
75.04455	0.5
76.24451	0.3
79.77735	0.2
80.59241	0.3
81.03401	0.5
83.04974	0.4
85.02911	13.8
93.03442	0.5
97.02888	1.5
99.04462	0.3
109.02860	0.7
111.00798	0.9
121.02849	0.9
127.03925	0.9
129.05496	2.9
137.02345	2.5
145.04968	1.0
147.06540	0.9
153.01834	2.3
161.05916	0.3
163.04022	0.4
165.01826	1.4
166.02696	0.3
169.04379	0.3
183.02859	0.6
187.03891	0.3
201.05492	1.2
216.11858	0.3
229.04947	3.9
247.06013	0.4
257.04428	1.9
274.04803	0.4
285.03967	0.9
287.05579	0.4
303.05008	100.0
304.05338	1.2
423.40482	0.3
465.10345	0.6
512.94611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01860	7.7
55.05511	27.7
57.03449	10.7
57.24975	2.1
64.89610	2.4
65.64097	2.0
67.05509	36.0
69.03436	9.0
69.07072	23.8
69.59604	6.4
69.60020	8.3
71.04998	6.3
79.05495	37.4
81.03419	42.0
81.07063	41.2
83.04978	14.7
83.08621	23.8
85.02922	15.7
87.64838	2.3
88.32616	2.4
91.05476	42.8
93.07048	34.6
95.04982	20.6
95.08618	21.4
97.02901	13.3
97.06538	5.8
97.10149	15.0
98.20744	3.3
105.07033	30.0
107.04981	11.0
107.08611	23.7
109.06487	6.0
109.10159	8.3
111.04476	3.7
111.08127	5.6
117.07026	9.8
119.08600	23.7
121.06488	5.9
121.10179	14.4
123.08102	5.5
123.11720	2.5
125.09618	8.9
129.07001	10.0
131.08568	14.9
133.06516	4.7
133.10129	13.9
135.08101	5.7
135.11703	15.4
137.09650	2.7
143.08582	5.5
145.10098	16.3
147.08066	5.7
147.11703	13.2
149.09680	5.7
157.10139	10.3
159.11676	4.5
161.09647	2.8
163.11197	10.3
165.12758	3.3
171.11693	2.9
173.13295	2.3
175.11182	7.9
177.12846	2.6
181.12152	2.2
189.11263	4.0
193.12245	29.2
199.15056	2.4
211.13307	43.0
223.13264	14.3
227.12775	20.3
249.14876	3.3
267.15909	24.0
269.17679	3.9
273.18527	11.4
275.20062	3.3
283.15387	13.1
285.16989	37.8
291.19556	100.0
349.24142	3.4
355.07056	3.7
365.23212	35.7
404.78793	2.5
463.26505	4.6
475.93704	2.3
477.28497	13.5
557.34790	18.7
575.35706	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	610.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.01839	1.4
55.05513	4.4
56.96547	1.2
57.03434	1.2
67.05499	4.6
69.03432	2.7
69.07070	3.8
69.53186	1.2
71.04991	3.4
71.55038	1.8
73.06551	2.4
79.05499	5.7
81.03418	5.0
81.07056	10.8
83.04983	1.9
83.08613	1.9
84.23060	1.1
85.02916	3.4
85.06532	1.3
89.03934	1.7
91.05470	6.1
93.07053	8.5
95.04981	3.4
95.08636	7.9
96.12031	1.2
96.65075	1.2
97.02914	2.5
97.06512	2.0
97.10180	3.2
100.21825	1.4
105.07056	9.8
106.73856	1.2
107.04953	1.5
107.08606	7.9
109.02885	2.3
109.06564	1.8
109.10160	6.3
117.03391	9.0
118.05392	1.3
119.04891	1.9
119.08593	4.3
120.08882	1.2
121.10165	6.8
123.04404	1.6
123.08049	1.3
123.11692	3.4
125.09619	3.1
127.03942	2.9
127.11167	2.0
133.10144	8.8
135.11728	3.1
137.06046	1.3
139.10147	1.4
143.10704	6.0
145.02864	33.7
145.10164	1.7
147.04448	6.2
147.11700	3.0
149.06004	3.8
149.13278	4.7
159.11720	3.1
161.13260	1.7
163.11163	1.5
167.14307	8.6
173.13303	1.9
177.05486	100.0
195.06528	1.9
199.14754	1.3
201.16556	1.8
203.10585	1.4
219.17433	4.2
321.09613	1.6
339.10803	10.9
449.29074	2.1
465.28491	2.5
610.22949	2.1
610.32703	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03938	1.2
55.01876	1.7
55.05266	1.1
55.05513	12.9
57.03430	3.2
57.07079	2.1
65.03944	1.7
67.05506	30.6
69.03440	0.7
69.07066	13.7
70.10720	2.1
70.11139	1.3
71.04996	1.0
77.03935	1.0
78.68315	0.7
79.05495	21.3
81.03397	0.8
81.07060	28.6
83.04988	1.7
83.08626	6.1
85.06581	1.4
91.05478	19.8
93.07043	23.1
95.04968	1.5
95.08612	23.1
97.06543	2.4
97.10172	3.5
99.08089	1.3
101.10769	0.8
101.80067	0.8
105.07030	18.9
105.07694	1.5
107.08602	14.3
107.50123	0.8
109.06528	1.2
109.10143	9.5
110.80219	0.7
111.08096	1.6
115.05484	1.2
115.74659	0.9
117.07014	10.1
119.08577	15.8
121.06530	1.1
121.10136	9.6
123.08073	0.8
123.11703	2.5
128.06215	1.9
129.07002	10.5
130.07782	1.0
131.08572	15.0
133.10130	12.0
135.11679	5.9
141.07016	5.8
142.07761	1.9
143.08562	11.7
145.10132	15.6
147.11688	6.2
149.09563	1.3
149.13266	3.2
153.06981	1.3
155.08517	8.7
156.09392	1.9
157.10141	12.4
159.11711	10.7
161.13268	3.3
163.11148	1.1
163.14822	0.8
165.06985	1.2
167.08586	5.4
168.09329	1.6
169.10138	13.5
170.10959	1.0
171.11688	9.8
173.13257	7.3
175.14891	1.9
179.08525	0.9
181.10097	6.1
183.11693	12.4
185.13271	6.4
187.14807	4.1
193.10233	2.2
195.11697	6.8
197.13280	9.3
199.14822	4.6
201.16443	2.2
207.11772	2.5
209.13283	6.2
211.14757	5.1
213.16426	3.5
215.17972	1.1
221.13264	1.2
223.14844	5.0
225.16441	3.5
227.18040	2.2
229.19505	1.0
233.13234	0.8
235.14882	2.1
237.16409	3.6
239.18060	3.9
241.19670	1.1
244.36621	0.8
249.16396	1.5
251.18048	2.3
257.19092	3.7
275.20084	6.0
297.22107	1.2
299.23877	0.8
305.49805	1.0
309.21930	1.3
315.23215	1.2
323.23691	1.4
331.22849	1.1
335.26044	1.3
337.25156	1.2
339.23050	0.9
349.25375	1.7
351.26801	1.6
355.26266	0.9
365.28659	1.7
377.28702	1.0
379.30161	1.0
393.32050	1.0
421.30502	1.0
447.32657	1.4
472.93988	0.9
517.40558	7.4
535.41235	4.5
539.37714	1.6
540.38165	1.2
549.25018	3.4
591.44153	10.2
609.27148	9.2
609.45184	100.0
610.27411	1.1
610.45441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73417	0.5
51.00489	0.4
51.80900	0.5
63.36677	0.5
64.38882	0.5
66.87771	0.5
68.99813	0.6
69.03411	0.6
71.54530	0.6
76.75394	0.5
84.34222	0.5
85.02905	1.6
86.09712	0.7
95.04984	1.0
98.97592	1.3
107.04979	1.2
109.02881	0.7
111.00840	0.7
123.04428	1.5
127.03924	3.8
135.04424	1.0
135.08052	0.6
139.03908	4.4
147.04375	0.7
151.03903	2.9
155.03369	1.0
161.05968	0.5
163.03946	3.2
177.05498	0.6
179.03447	3.4
179.04774	0.5
193.04987	0.7
203.03516	0.6
207.94901	0.5
221.07887	0.7
245.04419	1.7
246.20358	0.5
249.15784	9.4
254.23926	0.6
263.05591	1.7
271.06134	0.9
287.05563	3.5
305.06625	0.8
383.13153	100.0
423.07101	1.2
425.08710	1.0
441.08087	1.1
465.07666	0.6
609.20886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.19221	0.6
53.03944	1.8
55.01865	1.9
55.05507	10.7
57.03444	3.3
57.07090	1.2
57.93021	0.6
65.03949	1.2
67.05506	17.3
69.07070	8.4
69.26115	4.1
69.26517	2.1
71.05001	1.5
76.01078	0.7
79.05501	11.0
81.07058	22.9
83.04991	1.8
83.08621	5.5
85.06575	1.2
91.05481	13.2
93.07041	12.8
95.04976	1.7
95.08608	18.2
97.06554	1.4
97.10180	3.2
105.07030	14.5
107.08596	10.6
108.02530	0.7
109.06508	0.7
109.10168	6.9
115.05447	1.8
117.07021	6.8
119.08584	13.0
121.10149	6.6
123.08039	0.8
123.11716	1.9
125.09624	1.5
128.06261	1.9
129.07007	8.9
131.08583	13.0
133.10132	8.2
135.11694	4.5
141.07004	4.2
142.07822	2.3
143.08568	10.6
145.10135	11.6
147.11674	6.0
149.09612	0.9
149.13266	2.3
154.07817	0.9
155.08565	10.7
156.09412	0.9
157.10158	11.0
159.11682	7.2
161.13304	3.1
163.14833	1.0
165.07001	1.2
167.08534	3.4
167.61063	0.8
168.09377	2.0
169.10121	14.6
171.11688	11.2
171.12988	1.2
173.13303	5.7
175.14790	1.9
179.08597	1.5
181.10101	7.1
182.10886	1.1
183.11690	10.2
185.13248	7.4
187.14851	3.2
189.16461	0.7
193.10184	2.5
195.11685	8.4
197.13275	8.8
199.14815	5.6
201.16415	2.3
205.10052	0.8
207.11755	3.0
209.13286	7.3
210.14127	0.8
211.14836	6.8
213.16417	3.0
219.11774	1.2
221.13306	2.5
223.14810	4.6
225.16301	4.9
227.18073	1.7
233.13335	1.2
235.14874	1.9
236.15367	0.8
237.16458	3.2
239.18059	2.6
241.17799	0.8
247.15009	0.8
249.16371	0.9
251.18018	2.2
253.15767	0.9
257.19055	2.4
265.19675	1.7
275.20227	1.9
279.21228	1.7
297.22305	0.8
307.20706	1.1
307.24429	0.8
309.22159	0.7
311.23434	1.0
321.22052	0.9
323.23782	1.3
335.23706	1.5
337.25241	1.2
339.87186	0.8
349.25494	1.0
351.27017	2.1
355.07458	0.9
365.24304	0.9
365.28659	1.7
367.26559	1.0
377.28235	1.1
393.31577	0.9
405.31793	1.1
409.31161	0.9
429.31671	0.7
432.18784	1.0
447.20978	0.9
447.32767	1.2
448.22031	1.0
499.39291	1.6
517.40405	10.8
519.23761	0.8
521.24231	1.4
521.36389	1.0
535.41541	5.6
539.37158	1.3
549.24689	1.3
555.42188	0.9
573.43201	1.8
591.43994	14.2
609.26544	12.5
609.45172	100.0
610.26599	1.0
610.45477	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05515	0.7
67.05508	1.4
69.07063	0.6
71.26974	0.3
72.13889	0.2
79.05499	1.2
81.07065	1.1
91.05497	1.0
93.07056	1.2
95.08609	0.9
97.10216	0.2
105.07012	1.3
107.08580	0.6
109.10197	0.6
117.07049	0.5
118.06566	0.2
119.08598	0.7
121.10162	0.4
129.06995	0.2
131.08586	0.7
133.10106	0.5
141.06993	0.3
145.10100	0.8
147.11713	0.3
149.09618	0.2
157.10182	0.3
171.11682	0.3
172.07559	0.3
177.59497	0.2
223.12291	0.3
224.13048	0.3
231.36516	0.3
239.15158	0.2
250.14694	0.2
254.78110	0.2
257.19119	0.5
275.20102	0.8
331.22980	0.4
335.26047	0.2
389.18091	0.3
390.19101	0.3
391.19342	0.7
401.17676	0.5
402.18723	0.4
403.19376	0.4
404.16107	0.3
404.20822	0.3
405.20828	1.0
414.18698	0.3
415.19400	1.0
415.24194	0.3
416.20120	0.7
417.21335	0.5
418.21811	0.4
419.18555	0.9
419.22665	0.8
421.20157	0.3
428.20172	0.5
429.20819	2.9
430.21863	1.0
431.17816	1.2
431.23553	0.3
432.18918	0.4
433.19501	0.7
433.23987	2.0
434.21198	0.6
435.21786	0.4
443.22388	1.3
444.23859	1.6
445.19867	0.8
445.24365	0.9
447.17709	1.0
447.23166	1.2
448.23001	0.4
449.23492	0.8
457.19489	0.5
457.24945	0.4
458.24762	0.9
459.21432	4.1
460.22678	2.6
461.19070	1.3
461.23535	2.8
462.19745	2.0
463.21506	0.6
468.37671	0.4
471.21735	0.4
472.22623	1.9
473.23373	0.8
474.24997	0.4
475.20789	0.8
475.25333	0.8
476.22098	2.3
477.22858	2.3
485.23380	1.4
486.24503	0.3
487.25195	3.1
488.22299	0.2
489.22845	1.9
490.23724	0.4
491.20398	0.3
492.25323	0.4
493.22400	0.3
493.26407	0.3
503.25119	2.0
505.19064	0.4
505.26080	0.6
507.23978	0.6
516.21625	0.3
517.22260	0.4
517.40216	0.3
518.22980	0.5
519.23859	2.0
521.21545	3.4
531.23932	22.8
532.24963	1.2
535.22974	0.3
549.24963	12.6
563.26569	0.9
580.23010	0.5
581.27521	0.5
591.26038	2.9
591.44446	0.4
608.43188	0.2
609.27063	100.0
609.44208	2.8
610.27240	1.3
632.71899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05505	1.2
57.03430	0.4
67.05518	2.5
67.05818	0.5
69.07076	1.3
69.76978	1.9
69.77379	0.9
79.05490	1.9
81.07053	2.7
91.05471	1.4
93.07076	2.1
93.42431	0.4
94.06523	0.5
95.08617	1.7
97.06559	0.5
98.25206	0.4
105.07018	1.5
107.08582	1.0
109.10177	0.9
117.07034	0.7
119.08596	1.1
121.10167	0.5
130.70079	0.4
131.08568	0.9
133.10158	0.7
135.11687	0.6
143.08542	0.6
145.10135	1.2
147.11655	0.4
149.13203	0.5
149.27402	0.4
157.10121	0.9
169.10193	0.5
183.09172	0.5
197.13336	0.6
202.69952	0.4
231.50986	0.4
257.19131	0.7
275.20148	0.6
330.80569	0.4
389.17694	1.3
391.19189	1.3
392.20245	0.7
401.17807	1.2
402.18475	0.8
403.19275	1.8
404.20358	0.7
405.21118	2.4
407.22299	1.8
415.19534	1.1
417.16898	1.5
417.20932	1.7
418.17664	0.6
419.17566	0.7
419.22943	2.7
420.18628	0.6
420.23569	0.5
429.16418	0.7
429.21375	0.6
430.17987	1.5
431.17880	2.8
432.18915	1.0
432.24060	0.6
433.20236	6.3
434.20712	1.1
435.22177	0.6
443.18869	1.6
444.19104	2.1
445.19760	3.6
446.21304	2.6
447.21985	4.5
448.22696	1.0
458.21097	6.1
459.21790	4.4
460.22906	3.4
461.19363	0.5
462.25040	0.6
463.20828	2.2
473.23459	0.7
474.21246	0.6
475.21265	1.6
476.22290	1.2
477.22736	1.4
489.23071	0.6
490.24081	0.8
502.23621	0.5
503.21310	0.7
517.22241	0.8
517.40625	0.6
518.23260	3.8
519.24023	10.5
521.22552	1.4
521.25043	1.6
531.23865	1.8
532.24860	0.7
549.25098	5.5
563.26263	0.6
573.24731	0.5
591.26025	12.3
609.27075	100.0
609.44647	5.1
610.27753	1.2
639.75598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
67.05508	2.2
68.43533	0.3
69.07064	0.7
79.05499	1.8
81.07062	2.2
83.08642	0.4
91.05485	1.7
93.07046	2.0
95.08617	1.3
103.88074	0.4
105.07039	1.2
107.08631	0.4
109.10159	0.6
117.07050	0.5
119.08606	1.0
121.10159	0.5
131.08594	0.8
133.10130	0.5
143.08537	0.5
145.10115	0.6
147.11726	0.6
159.11685	0.6
173.31580	0.3
174.99011	0.3
221.05501	0.4
251.15477	0.4
275.20126	0.9
310.73779	0.4
376.17163	0.6
377.17804	0.5
389.18472	0.7
390.18719	0.7
391.19266	1.6
392.20096	1.3
393.20966	0.5
399.16257	0.4
400.16965	0.5
401.17969	0.5
403.19485	0.7
404.20447	0.6
405.16782	0.3
405.20975	3.2
406.21539	1.7
407.22470	2.4
413.17819	0.6
414.18088	0.6
415.19168	1.2
417.21237	0.5
418.22131	0.5
419.22607	1.1
421.23917	3.1
421.33200	0.4
422.24405	0.5
427.19315	0.4
428.20020	0.6
429.21051	2.0
430.22070	0.8
431.18234	0.8
431.23193	0.6
432.19418	1.1
433.20142	1.8
435.21912	0.4
442.21664	0.4
443.22522	0.8
444.23456	0.7
445.20297	1.5
447.17239	2.1
448.18842	0.7
449.23654	0.7
452.22253	0.7
457.24570	1.7
459.22067	1.9
460.23047	1.0
461.19031	4.3
462.20074	1.8
463.21539	1.4
471.17505	0.5
472.22717	0.7
473.18994	0.4
474.20746	1.2
475.21133	6.7
476.21887	6.2
477.22446	3.7
478.23761	0.7
479.24588	0.5
485.23636	5.2
486.20319	2.2
487.25192	0.7
488.22272	0.8
489.22919	4.5
491.24109	0.5
493.21588	0.5
494.27158	1.0
497.23386	0.5
499.21216	3.1
500.22015	0.9
503.24570	6.3
504.21625	0.5
504.25391	0.6
505.22314	0.5
507.24072	0.7
513.22272	0.8
515.24554	5.5
517.22211	1.9
521.26129	2.6
531.23975	9.3
533.25507	0.5
535.23175	0.7
549.24933	2.1
550.25836	3.8
559.23309	4.3
563.26392	1.1
577.24316	2.1
591.25958	11.3
609.27069	100.0
609.44788	4.8
610.27460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60220	0.3
67.05495	0.5
69.03423	0.3
69.07047	0.5
71.54262	0.3
79.05502	0.6
81.03429	0.6
81.07053	0.8
85.02891	0.3
91.05497	0.6
93.07053	0.7
95.05006	0.3
95.08616	0.9
97.02937	0.3
97.06564	0.3
97.10201	0.3
98.97586	0.4
105.07009	0.5
106.54550	0.2
107.04978	0.7
107.08594	0.7
109.02902	0.5
109.10223	0.4
119.08616	0.5
121.10175	0.4
123.04495	0.3
127.03933	0.9
131.08588	0.3
133.10153	0.3
137.05963	0.5
137.77853	0.2
139.03880	0.7
145.02779	0.3
147.04485	0.9
151.03954	0.3
159.04192	16.3
160.76906	0.2
173.13205	0.2
176.04472	0.3
176.72110	0.2
177.05452	0.6
177.91867	0.2
179.03438	0.4
189.05305	0.5
204.03986	0.8
205.04713	2.4
245.07974	1.5
271.06058	0.8
271.09280	0.2
284.69678	0.3
287.05588	0.7
343.11722	0.4
367.11765	0.7
369.13287	0.3
370.31708	0.3
377.74460	0.3
379.11621	0.9
383.14774	0.6
397.12592	5.1
398.61508	0.3
411.14124	0.4
412.14960	6.9
413.15744	0.7
534.08160	0.3
609.23083	100.0
610.23120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05499	0.6
57.40408	0.3
67.05497	1.6
69.07076	0.6
69.16737	1.4
69.17160	2.3
78.54440	0.3
79.05488	1.9
81.07058	2.0
81.35902	0.4
83.08578	0.4
85.15242	0.4
91.05478	1.6
93.07036	1.8
95.08601	1.6
97.06503	0.4
105.07033	1.4
107.08618	1.5
109.10172	0.8
117.07035	0.8
119.08610	1.3
121.10183	0.5
131.08572	0.9
133.10139	0.6
145.10150	0.9
147.11734	0.5
157.10118	0.6
159.11688	0.7
161.96068	0.4
163.11296	0.5
199.14810	0.5
237.13963	0.5
248.40594	0.4
257.19037	0.9
275.20068	1.4
364.18097	0.5
375.17288	0.4
376.17087	0.4
377.17514	0.4
388.17892	0.5
389.18652	0.7
390.18570	0.8
391.19159	2.1
392.20065	1.0
393.20755	0.5
401.17770	0.5
402.18936	0.4
403.19809	0.6
404.20734	0.9
405.20950	3.6
406.21658	1.9
407.22287	3.5
413.17685	0.6
414.18759	0.6
415.19290	2.3
416.20221	0.5
417.20700	0.5
419.18201	1.1
419.22968	0.7
420.18750	0.4
421.24069	4.8
422.24634	0.9
429.21072	2.6
430.22089	1.0
431.18262	0.8
432.19498	0.7
433.20175	1.4
433.24796	0.8
434.25232	0.4
435.21838	1.1
443.22745	0.7
444.23166	1.5
445.20233	0.9
447.17422	1.8
449.23892	0.8
452.22235	0.5
457.24518	2.4
459.21530	2.2
460.23044	1.1
461.19287	5.9
462.20367	2.6
463.21390	1.7
470.21179	1.1
471.17752	0.6
472.22867	1.2
473.19553	0.7
474.25131	0.5
475.20825	6.8
476.21893	6.4
477.22446	4.1
478.23633	0.6
479.24493	0.6
482.20663	0.5
485.23599	10.1
486.20135	3.3
487.25311	1.2
488.22305	1.4
489.22888	4.7
494.27054	0.9
497.23550	0.9
499.21402	2.6
500.22333	1.6
501.23093	0.4
502.23602	1.1
503.24554	5.6
504.25720	0.6
507.23917	0.6
513.22998	1.3
515.24487	8.6
517.22192	1.1
518.22906	0.5
521.26086	3.0
531.23926	15.5
535.23407	0.8
541.22321	0.8
548.23834	0.8
549.24908	3.7
550.25720	4.6
559.15619	0.3
559.23492	6.8
563.26733	0.6
577.24500	0.9
591.12128	0.5
591.26025	28.1
609.27106	100.0
609.44910	5.7
610.27698	1.4
634.74487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06002	0.9
51.02361	1.6
53.03942	6.2
55.01873	2.1
55.05495	4.6
55.07470	1.0
57.03436	6.5
64.84251	1.1
67.05513	6.6
68.05817	1.1
69.03422	11.8
69.07043	2.0
69.33493	8.8
71.04980	2.9
71.67452	1.0
75.04477	7.8
77.03903	1.7
79.05070	1.7
79.05492	25.1
81.03416	14.3
81.07052	11.8
85.02907	9.3
85.06563	1.1
87.04433	1.6
87.25514	1.1
89.09879	1.3
91.05479	23.5
93.07042	100.0
95.04987	6.8
95.08611	13.3
97.02888	8.2
97.06533	5.4
99.04453	2.2
103.05450	2.2
105.04498	2.7
105.07032	17.7
107.04954	73.7
107.08599	22.8
108.52660	1.2
109.02881	7.8
109.06525	2.5
109.10165	9.2
111.04443	2.6
111.08051	7.9
117.07005	3.3
119.04931	4.0
119.08583	14.7
121.06489	12.8
121.10143	98.5
123.04425	1.9
123.08100	7.6
123.11678	2.2
125.09624	1.5
127.03920	6.4
128.06200	1.3
129.06967	3.1
131.04926	8.7
131.08562	11.1
133.06488	14.4
133.10135	9.9
135.08003	2.3
135.11749	1.4
137.05989	2.3
137.09602	3.5
139.03871	1.2
139.11194	3.4
143.08553	1.7
144.05647	2.5
145.04922	1.9
145.06464	7.1
147.04402	8.6
147.08043	9.6
149.05960	2.1
149.09621	27.3
151.11140	1.2
157.06482	5.6
159.08055	24.8
161.05992	2.1
161.09630	5.5
163.07623	1.3
163.11185	1.1
167.10678	19.3
171.08041	7.9
173.05943	1.7
173.09644	4.2
175.07660	1.5
175.11223	1.1
179.08643	1.2
179.10692	1.5
181.10222	1.1
183.08055	1.7
185.09581	2.2
197.09641	6.3
199.11159	11.8
209.09578	1.7
215.07013	2.8
223.11308	1.3
225.12737	6.2
227.14313	35.7
234.49783	1.2
237.12811	5.5
251.14406	1.4
255.13808	37.6
267.09058	2.4
269.15292	1.5
273.14832	4.6
279.13864	1.8
285.09897	1.3
293.13843	3.6
297.14758	1.4
309.09720	1.8
311.14890	14.7
321.14996	1.4
329.15741	1.3
335.16202	2.4
353.17383	1.5
363.15979	2.9
381.17059	2.3
399.17899	6.7
404.03043	1.2
405.48734	1.2
417.18912	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83943	1.1
53.03949	3.6
55.05517	6.7
57.03438	3.5
61.02940	1.2
65.03943	1.0
67.05512	19.6
69.03436	7.7
69.07073	7.0
71.04999	3.3
71.54845	2.2
77.64925	0.9
79.05504	14.3
81.03431	21.1
81.03873	1.9
81.07066	23.1
83.05000	3.7
83.08642	5.1
85.02929	2.9
85.06551	1.8
91.05474	10.7
93.07052	17.3
93.07640	1.4
95.05000	3.1
95.08615	10.9
97.02911	4.4
97.06564	4.2
97.10192	2.6
99.04492	1.1
101.84353	1.0
105.07055	10.0
105.42641	1.1
107.04980	4.0
107.08615	7.3
109.02912	3.5
109.06535	1.0
109.10204	4.0
111.04462	3.1
111.08079	2.1
117.07063	4.1
119.08602	4.3
121.06531	2.0
121.10178	6.7
123.04419	1.7
123.11753	1.9
126.95080	1.0
127.03931	3.8
131.04979	1.5
131.08600	5.3
133.06590	1.4
133.10158	4.3
135.08093	1.7
135.11728	3.9
136.06314	1.1
137.09613	1.4
145.10158	2.6
147.04439	1.6
147.08212	1.0
147.11752	4.3
149.09715	1.5
149.13269	6.9
150.28366	1.0
157.10091	1.4
159.08160	1.3
159.11755	3.2
161.09682	1.7
165.12834	1.0
173.04553	1.7
173.13309	1.6
175.11293	1.2
177.12790	2.4
195.13904	3.8
261.18250	1.4
269.17615	4.0
303.16061	1.1
316.59399	1.1
321.16913	1.4
339.18149	3.4
367.13806	3.0
369.15179	8.6
395.20807	3.5
445.29706	2.0
455.22906	1.4
463.30908	3.3
545.78320	1.1
547.27240	2.0
589.33960	2.5
607.34717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12855	1.0
53.03947	7.9
55.01887	5.0
55.05513	16.6
57.03439	6.3
57.07071	2.1
57.29911	1.0
58.12097	1.3
63.31766	0.9
65.03930	4.0
65.39107	1.0
67.05508	59.2
69.03436	17.3
69.07074	18.5
71.01373	1.5
71.04990	7.7
73.02898	2.5
79.05496	40.5
80.73795	0.9
81.03421	64.6
81.07060	79.7
83.01309	0.9
83.04983	11.5
83.08624	13.7
85.02908	8.4
85.06540	3.9
91.05485	32.0
93.07045	49.8
93.07640	2.5
95.04971	11.0
95.08060	1.6
95.08607	24.3
97.02892	11.1
97.06545	8.7
97.10187	2.1
99.04459	3.4
99.08103	2.4
105.04535	1.8
105.07032	19.0
107.04951	4.4
107.08607	28.3
109.02883	13.7
109.06509	4.8
109.10161	4.9
111.04443	8.1
111.08094	5.9
113.05966	1.5
115.05502	1.7
117.07017	12.2
119.04928	1.4
119.08591	11.4
121.06510	5.1
121.10150	15.5
123.04369	1.5
123.08095	2.7
123.11729	6.4
125.09601	1.9
127.03941	7.4
129.06964	5.4
130.55026	1.1
131.04921	1.3
131.08569	15.0
133.06502	2.4
133.10135	12.2
135.08052	3.0
135.11703	11.0
137.05994	1.4
139.03912	2.2
143.08563	3.1
145.06479	1.7
145.10098	4.6
147.08031	2.0
147.11691	9.8
149.09631	2.1
149.13254	20.2
155.08551	3.2
157.06441	1.2
157.10098	3.6
159.08083	2.0
159.11691	11.6
159.54117	1.0
161.13281	1.8
165.12726	4.5
169.10118	1.8
171.07938	1.2
171.11626	1.3
173.04500	4.3
173.09589	2.1
173.13229	1.9
177.12779	7.8
181.10188	1.4
183.06519	1.8
183.11700	2.1
193.12180	1.2
195.13821	18.2
201.12801	1.5
207.23404	1.1
213.14885	4.2
219.13782	2.0
220.60736	1.1
229.14351	1.5
233.15417	1.3
257.15112	1.2
259.16956	1.3
261.14917	1.4
267.15848	4.7
269.17517	12.9
275.16507	2.0
285.14642	2.2
287.16498	1.5
297.17099	1.5
303.15796	3.3
305.17587	1.2
321.17023	5.4
339.18027	10.1
353.24850	1.7
371.25888	1.1
377.19638	3.8
395.20682	13.1
445.29285	8.4
461.23361	1.2
463.30612	11.8
479.29733	1.6
533.31055	1.6
547.26855	2.9
553.31396	1.3
571.32330	3.1
589.33795	6.0
607.35309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
59.13817	0.4
62.77826	0.3
69.25909	2.7
98.20781	0.6
194.51794	0.3
225.13873	0.4
388.16937	0.5
389.17548	1.0
401.17728	0.8
402.18210	0.5
403.19345	2.3
404.19827	0.7
405.20633	1.5
415.19467	0.6
416.20078	0.7
417.21295	3.1
418.21359	1.1
419.22211	2.2
430.17630	0.9
431.18301	6.7
432.18436	1.7
433.24100	8.0
434.24698	0.9
444.23651	0.5
445.19739	6.5
446.20767	3.9
447.21698	3.4
459.21643	4.3
460.22592	9.5
461.23422	11.6
473.23608	3.6
474.23938	0.8
477.23053	0.6
487.25165	1.5
491.25168	0.4
504.25177	0.4
505.21884	2.1
506.26724	0.5
515.24329	0.6
519.24432	1.0
519.27051	1.1
532.24927	0.9
533.25781	0.4
547.27063	43.7
548.27802	0.8
575.26691	0.7
579.30029	0.9
607.29169	100.0
608.29584	1.9
625.00220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
65.35050	0.3
67.05508	1.0
69.03426	0.4
69.07066	0.4
69.21159	1.8
69.21582	1.3
78.47765	0.3
79.05493	0.7
81.03418	1.2
81.07063	1.6
82.64133	0.3
83.08614	0.4
91.05488	0.9
93.07043	1.1
95.04993	0.3
95.08609	0.8
95.21671	0.3
96.91971	0.3
97.02889	0.5
97.06548	0.3
105.03432	0.6
105.07047	0.5
107.08589	0.6
107.27518	0.3
108.93066	0.3
109.10183	0.6
121.10151	0.4
132.19339	0.3
261.18390	0.8
304.62723	0.3
309.13126	0.5
318.54996	0.3
351.13855	0.4
369.15228	21.9
607.34613	100.0
608.35229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05513	1.0
67.05512	4.0
68.27678	0.4
69.07065	0.8
71.04971	0.4
71.55064	0.7
77.51065	0.5
79.05495	2.8
79.21796	0.5
81.03419	2.3
81.07075	3.7
83.08598	0.7
85.02917	0.9
91.05478	1.7
93.07046	2.1
95.04947	0.5
95.08611	1.4
97.02878	0.5
105.07019	1.5
107.08578	1.4
109.02880	0.7
109.10084	0.6
119.08573	0.9
121.10158	0.9
131.08556	0.7
133.10159	0.8
135.11649	0.5
147.11699	0.7
149.13263	1.3
157.10060	0.4
159.11662	1.3
177.12817	0.5
195.13861	0.9
218.98515	0.5
230.69484	0.5
251.69635	0.5
254.42307	0.4
256.56906	0.4
296.14594	0.5
297.95132	0.5
339.18179	0.5
353.49796	0.5
359.33881	0.5
375.16205	0.7
387.16278	0.6
388.16708	1.2
389.17499	2.1
390.18665	1.3
391.19315	0.8
402.18591	1.0
403.14749	0.7
403.19495	3.7
404.20111	1.4
405.20877	3.2
417.16196	3.9
417.21072	2.1
418.17264	0.9
418.22293	1.0
419.22421	5.1
420.23248	0.5
430.17535	0.9
431.18387	8.5
432.18979	3.1
433.19861	3.8
443.18777	1.1
445.20120	5.4
445.29401	0.5
446.21066	8.3
447.21786	8.1
459.21661	2.3
460.23111	1.4
461.19830	1.7
463.30817	0.7
473.24051	0.8
474.20587	5.6
475.21255	4.8
477.23300	0.7
487.21048	1.1
490.23877	0.8
491.20810	1.9
501.22806	1.4
519.24066	15.6
533.26355	0.6
547.23065	12.8
551.26233	0.6
579.26025	6.6
607.25488	100.0
608.25928	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
51.47860	0.2
68.73689	0.2
69.19482	2.5
70.83339	0.2
71.18229	0.2
75.40768	0.3
98.21601	0.4
175.93449	0.3
267.25470	0.3
283.26617	0.3
387.16168	0.4
388.16791	0.7
389.17673	0.7
401.17636	0.5
402.18207	0.6
403.19244	1.9
404.19907	0.9
405.20758	1.6
415.19839	0.5
416.20233	0.5
417.16345	0.7
417.21484	2.8
418.21643	1.9
419.22455	2.6
429.21573	0.4
430.17578	0.5
430.22644	0.4
431.18378	7.5
432.18790	1.4
433.15237	0.3
433.24097	7.3
434.24780	1.0
443.18787	0.5
444.19153	0.6
445.19818	7.1
446.20752	4.1
447.21744	3.3
457.20288	0.4
459.21494	4.6
460.22531	10.4
461.23367	10.0
473.23703	3.0
474.24344	0.8
477.22903	0.6
487.25037	1.8
488.25708	0.4
489.23077	0.4
491.25229	0.4
492.24942	0.8
503.20917	0.3
505.21793	2.7
506.26712	0.8
515.24030	0.5
518.23218	0.4
519.24475	1.3
519.27136	1.5
520.24213	0.4
532.24817	0.6
533.25696	0.6
547.27063	28.1
548.27478	0.9
575.26434	1.0
578.25220	0.5
579.29401	0.5
592.26282	0.3
607.29144	100.0
608.29468	1.3
610.28809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.84121	0.4
67.05455	0.7
69.06994	0.5
70.89510	0.9
79.05430	0.6
81.07025	1.0
83.34180	0.4
91.05401	1.2
91.48343	0.4
93.06983	0.5
95.08532	0.6
96.80748	0.4
105.06979	0.9
119.08385	0.4
123.05479	0.6
131.83296	0.5
133.10086	0.9
144.06448	0.5
152.09781	0.4
219.17456	0.5
223.20328	0.4
263.11908	0.5
375.16074	1.0
387.16043	0.5
388.16833	1.2
389.17636	3.6
390.18417	1.1
391.18976	0.7
400.09174	0.4
401.17694	0.6
402.14178	0.8
402.18774	0.8
403.14493	0.6
403.19504	4.7
404.20264	1.9
405.20776	2.6
415.14981	0.5
416.15762	0.6
416.20657	0.9
417.16028	3.8
417.20972	3.1
418.21826	0.9
419.22488	7.2
421.83981	0.5
430.17429	0.6
431.18323	8.6
432.19080	2.3
433.20160	2.8
443.18750	1.2
445.20245	7.3
446.21027	6.7
447.21783	10.2
448.22464	0.5
449.20282	0.5
459.17996	2.1
459.22778	1.0
460.18683	0.9
461.19638	1.4
462.24768	0.5
463.24893	1.4
473.19049	0.9
474.20514	10.5
475.21289	10.9
476.22147	0.6
478.23657	0.5
487.21094	2.6
488.21628	0.7
490.23935	1.8
491.20224	1.0
491.25058	0.6
501.22784	1.6
505.22400	0.6
519.24084	11.6
520.23871	0.4
532.21484	0.7
547.23419	60.3
548.23846	1.3
561.24872	1.0
579.26227	4.1
589.24432	0.6
607.25513	100.0
608.26001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41981	0.3
66.71194	0.3
69.92899	1.4
76.56734	0.3
84.77942	0.3
85.02908	0.3
98.97574	0.9
99.19826	0.3
127.03948	0.5
139.03899	0.6
219.01845	0.3
225.97946	0.3
237.02716	0.6
315.10504	100.0
316.10770	0.5
331.06903	0.5
382.55060	0.4
472.78888	0.3
511.14676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
64.00842	0.3
70.78349	0.8
71.16108	0.3
90.14452	0.3
119.19059	0.3
121.67879	0.3
209.10675	0.3
271.92133	0.3
284.18304	0.3
374.15280	0.5
375.16129	0.6
387.16327	0.4
388.16483	0.7
389.17673	2.1
390.18326	1.2
391.19022	0.7
401.17773	0.8
402.14240	0.5
402.18811	0.7
403.14838	0.5
403.19540	3.8
404.20105	1.0
405.20734	3.2
415.19348	0.6
416.16321	1.1
417.16116	3.3
417.21094	2.2
417.57565	0.3
418.17798	1.0
418.22281	0.6
419.22586	5.4
420.23151	1.0
429.17123	0.4
430.18088	0.9
431.18250	6.4
432.19131	2.7
433.19983	3.7
443.18796	0.4
445.20224	5.1
446.21036	6.9
447.21783	8.0
448.23392	0.4
449.19925	0.4
459.17838	0.9
459.22324	1.0
460.18845	0.9
461.19620	2.0
463.20605	0.5
473.19174	0.7
473.24402	0.4
474.20316	4.2
475.21146	3.7
477.22836	0.5
478.23602	0.8
487.21234	1.7
488.22015	0.4
490.23303	0.5
491.20383	2.3
501.22891	0.8
504.21283	0.4
505.22293	0.8
506.23111	0.7
518.23254	0.4
519.24078	17.5
520.24103	0.5
529.22327	0.6
531.20105	0.3
547.23364	13.5
550.22284	0.5
551.26465	0.3
579.25989	5.5
607.25513	100.0
608.25836	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	605.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
57.03441	0.3
67.05501	1.0
70.14251	1.2
71.05006	0.6
79.05494	0.6
81.03450	0.5
81.07065	0.8
91.05479	0.6
93.07060	0.5
95.04991	0.5
95.08640	0.6
105.03392	0.3
105.07030	0.8
107.04951	0.4
107.08586	0.5
108.25897	0.3
109.10191	0.3
131.04930	0.4
141.05246	0.7
149.05960	0.3
169.04720	3.6
195.23236	0.2
207.09959	1.1
249.11052	0.5
259.16809	0.8
277.17773	0.6
307.15176	0.3
335.14713	0.6
351.14050	0.6
360.38123	0.3
367.13565	0.6
369.15219	13.7
393.03061	0.3
483.31863	0.3
487.76541	0.4
535.28918	4.4
587.32135	0.4
605.32996	100.0
606.33258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47126	0.4
53.03955	0.4
55.01877	0.4
55.05519	2.0
56.96580	0.4
67.05496	1.8
69.03430	1.1
69.07067	1.4
71.04990	0.8
71.55186	0.4
79.05499	1.4
81.03446	1.9
81.07067	3.4
83.04969	0.7
85.02907	0.8
86.60023	0.3
91.05495	1.8
93.07050	2.9
95.04971	0.7
95.08614	2.5
97.02897	0.6
97.06530	0.7
97.10155	2.2
99.04481	0.4
105.03420	1.2
105.07056	1.8
107.04935	2.1
107.08594	1.7
109.02907	1.6
109.06515	0.5
109.10171	2.2
111.04434	0.4
117.06986	0.4
119.04940	0.7
119.08593	1.8
121.02842	0.4
121.06515	0.5
121.10184	1.6
123.08085	0.4
123.11710	1.0
125.09702	0.4
127.03904	1.0
131.08598	0.4
133.10141	1.5
135.08032	0.5
135.11697	1.0
137.06070	0.5
137.09706	0.3
139.11172	0.5
143.08525	0.5
145.02853	0.5
145.10178	1.2
146.06042	0.8
147.04405	3.1
147.11722	0.8
149.09691	0.4
149.13264	0.6
151.07484	0.4
157.10179	0.4
159.11745	0.7
161.09654	0.4
161.13197	0.4
163.03888	0.5
163.11177	0.7
167.07082	0.4
174.05559	0.5
176.70915	0.3
177.05447	1.0
187.14850	0.3
189.09035	0.4
191.07095	0.4
191.10825	0.4
193.04994	0.6
235.12958	0.3
299.09137	2.0
303.23444	0.9
306.68976	0.3
319.22800	0.4
335.29532	0.3
395.11105	3.6
410.13412	8.2
411.14221	0.4
447.27652	0.5
463.27084	0.9
465.28775	0.6
481.28165	0.5
607.21497	100.0
608.21741	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
67.05509	0.9
69.03421	0.3
69.07056	0.6
71.05006	0.3
71.57057	0.3
79.05490	0.6
81.03410	0.7
81.07050	1.2
83.08638	0.4
85.02929	0.4
91.05473	0.9
93.07053	0.8
95.04987	0.5
95.08616	0.8
97.06514	0.3
97.10180	0.3
99.04486	0.2
105.03392	0.3
105.07050	0.8
107.04962	0.4
107.08602	0.9
109.02880	0.4
109.10181	0.5
117.07026	0.2
119.08568	0.5
121.02698	0.2
121.06494	0.3
121.10159	0.5
131.08633	0.3
133.10155	0.3
135.11703	0.4
141.05260	0.4
145.10135	0.4
147.04402	0.3
149.02193	0.3
169.04729	3.1
207.09967	1.1
214.18024	0.6
215.18535	0.4
249.11037	0.3
259.16626	2.0
261.18378	0.4
269.28091	0.3
277.17688	1.3
289.03668	0.2
301.14435	0.3
307.15137	0.3
323.14682	0.3
335.14813	0.7
351.14279	0.7
367.13721	1.0
369.15204	11.4
399.19958	0.2
407.19070	0.3
463.22983	0.8
535.28802	4.8
605.32977	100.0
606.33051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38780	0.5
53.18164	0.5
55.41309	0.6
62.77172	0.5
67.05512	1.2
69.07076	0.7
70.67990	0.5
70.84142	0.5
71.15759	0.8
81.07054	1.6
81.50369	0.5
83.08598	0.7
90.07851	0.5
91.05508	0.6
93.07030	0.8
94.99346	0.5
95.08602	0.7
105.07043	0.6
165.35132	0.5
167.10281	0.5
232.82733	0.6
239.78906	0.5
275.19925	0.9
300.89932	0.5
310.68362	0.6
313.27304	0.6
401.17123	0.8
411.43872	0.5
414.18610	1.3
415.19275	4.3
416.20209	1.9
417.21161	0.7
427.19574	0.9
428.20047	1.7
429.20975	7.4
430.21481	4.7
443.22574	4.2
444.23511	6.6
445.24100	3.6
448.26190	0.7
457.19452	0.7
457.24533	1.1
458.24710	2.4
459.21371	1.7
459.25739	2.6
471.21503	1.2
472.22644	3.3
473.23480	5.6
474.24344	1.3
485.23764	3.2
486.24533	1.5
487.24979	21.8
488.25418	1.7
499.22180	0.8
503.24600	1.7
513.22980	0.9
517.26971	2.5
545.25494	18.7
546.26300	4.7
573.24988	1.9
577.28479	0.8
605.27612	100.0
606.28003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27234	0.3
53.03948	0.8
54.10136	0.3
55.05500	1.4
56.96560	0.4
57.03430	0.3
57.26947	0.3
58.08284	0.3
65.63355	0.3
67.05504	2.2
69.03413	0.5
69.07075	0.8
69.18766	1.9
69.19186	1.2
71.04970	0.5
73.97479	0.3
79.05503	1.7
81.03427	1.6
81.07061	3.2
83.04996	0.4
83.08619	0.8
85.02909	0.7
85.06566	0.5
91.05481	2.2
93.07037	2.5
95.04980	0.9
95.08612	1.7
97.02939	0.8
97.10186	0.8
105.03394	0.5
105.07036	1.4
107.04961	1.3
107.08601	1.3
109.02888	0.7
109.06485	0.5
109.10163	1.1
111.04436	0.4
117.07026	0.5
119.08607	0.9
119.15678	0.4
121.06513	0.6
121.10152	1.2
123.08110	0.7
123.11764	0.4
127.03880	0.4
131.08592	0.8
133.10175	0.7
135.11699	0.7
137.09613	0.4
144.93628	0.3
145.10106	0.6
147.04408	0.6
147.11649	0.4
149.13277	0.5
157.10123	0.5
163.07512	0.4
168.81839	0.3
169.04613	0.4
177.12776	0.5
195.13751	0.3
202.30823	0.3
219.01776	0.4
259.16757	0.8
261.18289	4.1
262.63159	0.4
273.14926	0.7
277.17813	0.7
301.14365	0.6
367.13666	12.8
369.15244	7.6
443.28232	0.4
569.30817	0.5
587.32245	1.0
605.32990	100.0
606.33392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04697	3.0
53.03947	8.1
55.01872	6.7
55.05515	40.6
57.03439	7.1
57.07082	3.7
57.80091	2.8
64.28356	2.8
65.03947	8.0
67.05509	100.0
69.03431	7.8
69.07073	29.2
71.04982	4.7
79.05501	60.5
81.03420	13.0
81.07060	79.4
83.04980	10.6
83.08624	24.9
85.06544	7.8
91.05486	60.2
93.07050	56.8
95.04974	16.3
95.08607	43.1
97.06541	8.3
97.10181	22.3
105.03400	3.7
105.07037	59.8
107.04984	10.0
107.08604	57.4
109.06512	7.7
109.10164	47.7
111.08025	3.0
115.05522	3.1
117.07030	23.9
119.08588	50.8
121.06522	7.0
121.10149	31.1
123.08044	4.9
123.11716	8.9
125.09683	16.2
129.07007	11.6
131.08614	25.6
133.06451	4.2
133.10121	38.4
135.08080	9.0
135.11726	13.1
137.09651	6.1
141.06958	3.9
143.08571	10.8
145.06558	3.4
145.10132	25.3
147.08034	6.1
147.11713	17.7
149.09639	9.8
149.13271	6.7
151.11163	4.0
155.08598	3.8
155.10657	7.6
157.10153	9.1
159.11699	17.3
161.13268	9.7
163.11177	7.7
169.10193	8.6
171.11716	7.6
173.11749	34.7
173.13290	14.8
175.11140	4.0
175.14806	4.1
179.14359	3.4
183.11713	7.3
185.13171	5.3
189.11240	20.8
189.16360	5.1
197.13214	7.7
203.12704	4.5
211.13153	4.7
239.18033	8.5
257.18988	10.9
257.23456	3.6
275.20081	67.0
277.21722	4.5
287.19803	3.7
293.21112	9.2
301.14407	9.1
345.27966	12.0
497.82474	3.5
543.29419	5.5
585.30688	10.4
603.31396	10.7
608.90643	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	603.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27873	2.3
53.03934	7.5
55.01875	21.2
55.05276	4.2
55.05517	56.3
57.03437	4.7
59.05010	2.9
65.03932	6.8
67.05508	100.0
69.03416	7.8
69.07070	59.2
71.04994	9.9
79.05071	4.6
79.05500	66.7
81.03440	12.3
81.06590	4.3
81.07060	79.1
83.04995	12.1
83.08632	28.7
85.06554	5.0
86.95133	2.4
91.05485	66.5
93.07046	64.7
95.05006	14.7
95.08613	64.6
97.06540	25.7
97.10168	40.1
99.08051	2.4
105.04527	2.5
105.06398	4.6
105.07040	63.4
107.04964	12.6
107.08597	54.1
109.06519	7.8
109.10155	40.4
111.08062	9.4
115.05453	3.5
117.07005	21.3
119.05016	2.6
119.06016	2.6
119.08582	42.9
121.06479	9.4
121.10160	28.7
123.04430	3.4
123.08076	5.4
123.11709	5.4
125.09638	30.5
129.07010	16.4
131.04909	2.6
131.08563	40.0
133.06485	3.3
133.10144	44.3
135.08040	8.4
135.11737	13.2
137.09624	11.0
139.11203	7.1
141.06975	4.6
143.08543	18.7
144.09418	3.0
145.06500	3.3
145.10146	33.4
147.08064	6.0
147.11684	25.3
149.09636	13.6
149.13307	5.0
151.11183	4.7
153.09135	3.7
155.08545	8.7
157.10094	15.7
159.08026	3.9
159.11691	26.3
161.09636	5.6
161.13269	12.3
163.11172	8.7
165.09166	4.0
169.10124	14.5
171.10364	3.1
171.11700	11.5
173.11732	12.6
173.13258	19.5
175.11142	5.8
177.12816	3.7
178.33189	2.6
183.11684	9.0
185.09598	3.1
185.13251	10.6
187.11156	3.6
187.14786	4.4
189.11218	28.8
189.12747	4.8
191.10768	3.8
194.63878	2.8
195.11748	4.2
197.13292	9.0
199.14755	6.3
201.12650	3.2
201.16435	2.7
203.14362	3.3
207.13629	2.8
209.13235	5.8
211.13293	7.0
211.14972	4.7
213.16331	5.4
217.15813	2.7
229.19466	6.1
237.11211	5.1
239.17859	7.7
247.20551	3.2
249.14915	2.8
257.19095	11.8
263.20071	3.0
269.19061	3.0
275.20068	99.4
277.21698	4.4
285.22031	2.9
287.19754	2.7
289.21515	4.5
291.19598	24.1
293.21198	15.1
301.21692	7.5
303.22919	2.7
315.23279	4.5
319.22592	10.2
331.15790	3.0
363.26031	3.2
377.24066	3.1
381.27924	4.7
383.29364	4.7
395.29410	9.9
397.31088	5.9
399.29089	12.1
413.30377	8.1
431.31659	3.1
441.30289	3.5
455.31458	9.3
457.32925	5.4
473.32431	9.8
531.38177	4.6
549.39374	6.3
567.40552	25.7
585.41119	16.2
603.32288	3.2
603.42828	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	603.3161
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03954	10.5
55.01874	12.1
55.05275	2.6
55.05512	35.1
55.21105	2.0
57.03439	15.9
67.05184	2.7
67.05507	36.2
69.03431	8.6
69.07062	12.8
70.96182	4.7
71.01344	2.1
71.04967	6.3
74.06057	7.4
74.09724	32.2
74.49962	1.6
75.10025	7.6
79.05069	2.8
79.05495	45.1
81.03420	65.8
81.07062	44.4
83.04987	15.8
83.08621	18.4
85.02911	25.6
85.06528	2.3
91.05482	44.7
93.03383	1.8
93.07050	28.8
93.65243	1.8
95.01321	4.3
95.04973	52.1
95.08624	21.4
96.05717	2.0
97.02867	7.1
97.06516	6.5
97.10173	13.5
97.51902	1.9
99.04446	4.2
99.08109	2.2
101.06030	2.3
103.05449	5.7
105.03376	8.2
105.04504	2.2
105.06411	2.7
105.07038	36.7
106.49058	2.4
107.04961	20.8
107.08582	17.5
109.02884	17.1
109.06487	8.0
109.10160	8.8
111.04454	12.2
111.08078	10.4
113.05988	4.1
115.05454	9.5
117.07021	21.3
119.04961	9.7
119.08586	26.3
121.02862	7.1
121.06506	12.3
121.10153	15.9
123.04415	8.4
123.08026	3.9
123.11655	3.6
125.02352	3.0
125.09624	13.1
125.16321	1.8
127.03913	3.9
128.06200	4.4
129.05470	2.3
129.07019	21.8
131.04941	15.9
131.08574	18.5
133.06485	16.9
133.10121	11.1
135.04361	3.9
135.08046	6.2
135.11682	6.3
137.02303	4.1
137.05962	4.4
137.09619	3.9
139.03867	1.9
141.07004	5.1
142.07758	3.9
143.08551	8.5
144.05672	3.1
145.06482	15.5
145.10150	13.2
147.04416	13.9
147.08046	9.1
147.11713	9.9
149.05974	7.3
149.09608	9.5
151.07414	1.9
153.07004	4.0
153.09067	2.3
153.12660	3.0
155.08559	5.4
157.06458	7.7
157.10156	11.9
159.04398	3.1
159.08055	8.3
159.11694	3.0
160.05222	4.7
161.05984	21.2
161.09590	2.9
163.11180	13.9
165.05499	2.0
165.06967	4.0
165.09091	2.6
165.12766	4.5
167.08606	3.8
169.06439	5.1
169.10069	2.4
170.07378	2.4
171.04419	2.6
171.08061	8.6
171.11661	3.3
173.05974	25.1
173.09625	6.9
174.06735	8.8
175.03970	4.3
175.07561	3.5
175.11221	9.3
177.05513	2.2
181.06493	2.9
181.10071	2.4
181.12241	3.0
183.08080	4.9
185.05981	6.0
185.09555	4.1
186.06676	4.6
187.07567	13.9
187.11282	3.4
189.05476	28.9
189.09116	3.7
189.11223	4.9
191.06985	2.4
191.10597	5.5
193.12245	29.6
195.11702	2.5
197.09668	3.9
199.07500	3.7
199.15036	1.8
200.61821	1.9
201.05435	2.0
201.09076	3.6
203.07028	4.8
203.10661	2.5
205.12254	2.2
209.13359	2.2
211.11330	3.2
211.13264	36.2
213.09041	2.9
215.10747	1.8
227.12761	7.4
227.14682	2.2
237.12695	2.8
245.15486	2.0
247.13275	3.0
255.13805	8.8
257.15332	6.2
261.14832	2.6
265.12363	2.1
267.16025	11.2
271.13281	2.9
273.14862	25.0
283.13098	15.7
285.14691	9.7
285.17456	15.8
289.14325	6.6
299.16418	2.1
301.14310	91.9
301.99026	13.8
303.15881	7.0
311.16696	2.0
313.14252	2.3
315.15881	3.1
319.15363	16.3
323.16272	3.5
341.17468	5.6
343.15765	2.5
357.16904	5.5
375.18045	26.0
385.23492	2.2
389.20441	2.5
393.19049	8.2
447.25214	2.6
451.25461	2.1
459.27554	3.2
465.26251	2.0
477.28745	3.4
487.27121	2.0
493.25464	5.3
511.26889	7.2
529.27515	2.4
539.30402	2.8
543.29340	4.2
557.31506	2.7
567.29541	12.9
573.30829	22.9
585.30585	88.7
603.31323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.6
53.03939	5.4
55.01862	1.7
55.05505	6.3
57.03438	3.7
57.13078	1.4
57.62587	1.4
60.46265	1.5
61.02922	1.6
67.05508	8.7
67.27142	1.4
68.97633	1.2
69.03431	6.8
69.07059	6.0
70.51434	5.5
71.04977	7.0
75.04486	9.7
79.05492	28.3
79.74145	1.2
80.47917	1.3
81.03426	7.6
81.07058	45.1
83.05020	2.8
83.08607	3.0
85.02896	8.9
90.28085	1.6
91.05476	18.7
93.07046	100.0
95.04982	7.1
95.08608	16.2
95.60204	1.4
96.32415	1.5
97.02880	5.8
97.06511	3.1
97.10133	2.1
99.08102	1.8
105.07037	20.3
107.04948	9.6
107.08592	39.8
109.02893	3.2
109.10161	14.8
111.08099	7.5
112.13576	1.9
117.06956	2.3
119.08582	43.9
121.06513	2.6
121.10143	93.0
123.08109	2.7
123.11708	7.9
125.09616	4.1
127.03929	4.8
127.11189	10.5
131.08578	4.7
133.10124	17.7
135.11691	40.7
139.03922	2.1
139.11186	7.8
143.10643	8.1
145.10136	4.5
147.04385	3.6
147.11691	11.3
149.09622	15.5
149.13284	3.7
151.11206	2.9
153.12729	2.2
161.13264	6.1
163.11171	1.7
167.07121	1.8
167.10678	38.5
191.10727	2.5
203.17943	25.0
221.19020	52.2
243.98529	1.6
263.75003	1.3
293.13712	3.9
311.14859	31.8
311.18262	2.0
329.15265	1.5
385.27362	1.6
602.24017	8.7
630.84607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87220	1.6
53.03930	3.3
55.05500	7.9
56.30410	1.6
57.03426	6.3
59.81467	1.5
67.05513	9.3
69.03422	7.2
69.07061	5.1
69.24162	17.5
71.04998	9.6
75.04480	9.9
79.05497	23.5
81.03413	8.5
81.07055	40.8
83.04939	2.2
83.08614	2.5
85.02900	8.3
85.06537	2.0
91.05481	15.6
93.07044	100.0
95.04963	6.6
95.08623	15.6
97.02893	4.4
97.06534	3.5
97.10177	3.4
98.20787	2.9
98.97540	2.2
103.05449	1.9
105.03401	15.7
105.04522	2.3
105.07026	22.5
107.08593	32.3
109.02876	3.3
109.06554	2.5
109.10155	12.7
111.08057	6.9
119.08588	34.5
121.10150	81.9
123.08070	2.6
123.11713	8.5
125.09601	3.2
127.03915	4.5
127.11176	11.6
131.08575	6.7
133.10127	12.9
135.11696	33.2
139.11165	6.6
143.10658	9.7
145.05040	2.2
145.10107	6.0
147.04391	2.9
147.11665	13.8
149.09637	14.0
149.13242	5.8
153.12761	3.2
157.10159	2.5
159.11771	2.6
161.13269	5.1
167.10681	28.9
187.11090	2.1
188.80077	2.1
203.17989	22.2
212.16504	3.4
221.19043	33.1
231.56340	1.9
272.18738	2.8
275.12790	2.9
291.08554	3.1
293.13773	5.1
309.09698	4.2
311.14880	25.2
329.16019	2.0
329.21310	1.7
358.96274	1.7
379.17096	1.8
432.06024	1.8
449.89774	2.1
602.24048	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.5
52.64482	1.8
53.03927	7.5
55.01876	11.6
55.05269	2.6
55.05516	36.7
56.96578	2.4
57.03445	12.1
57.07062	2.1
59.04985	2.0
67.05180	3.0
67.05506	40.1
68.99800	1.9
69.03413	8.4
69.07069	11.8
71.04981	7.0
73.09766	1.8
79.05498	49.3
81.03425	48.0
81.06593	2.7
81.07060	43.4
83.04980	15.7
83.08627	25.3
84.65077	1.7
85.02908	25.7
91.05487	41.9
93.07047	32.6
95.04975	50.6
95.08610	19.0
97.02904	4.9
97.06523	7.4
97.10176	21.0
98.97580	1.9
99.04433	3.9
101.06019	5.9
103.05452	6.6
105.03379	7.2
105.07037	28.7
107.04945	16.9
107.08604	20.6
109.02890	13.4
109.06522	7.3
109.10145	15.6
111.04426	10.6
111.08064	7.4
115.05470	11.3
117.07031	17.7
119.04910	6.4
119.08597	26.7
121.02869	7.0
121.06506	13.5
121.10146	12.5
123.04411	6.3
123.08068	6.2
123.11674	6.4
125.05974	2.7
125.09634	18.6
127.03935	6.0
128.06218	4.7
129.07016	18.5
131.04913	16.8
131.08594	21.7
133.06509	13.8
133.10129	10.1
135.04425	3.9
135.08086	9.1
135.11711	9.5
137.02345	2.9
137.06006	3.2
137.09596	3.3
139.03883	2.6
141.06996	5.4
142.07733	2.0
143.04939	2.7
143.08519	9.4
145.06502	22.1
145.10126	11.2
147.04451	13.9
147.08022	9.5
147.11710	10.2
149.06021	9.4
149.09595	8.3
149.13260	2.4
151.03926	3.5
153.09071	2.5
153.12704	3.9
155.08548	7.5
157.06493	7.3
157.10143	10.6
159.04453	3.9
159.08075	11.6
159.11673	4.9
160.05168	4.9
161.06007	21.0
161.09552	8.9
161.13324	2.9
163.07512	4.6
163.11182	12.3
165.05537	2.1
165.06984	3.2
165.09100	6.1
167.08598	3.2
169.06500	3.3
169.10110	4.3
171.04402	3.6
171.08022	9.3
171.11636	3.0
173.05972	26.0
173.09662	6.1
174.06714	5.1
174.71767	2.2
175.07607	8.9
175.11249	9.2
177.05399	2.7
177.49268	1.8
179.08531	4.3
181.06496	3.1
181.10080	2.8
181.12096	1.9
183.08014	6.9
183.11745	2.8
185.06003	4.1
185.09613	5.1
186.06708	4.2
187.07588	20.7
187.11151	2.0
189.05444	23.7
189.09048	4.1
189.11246	5.8
191.10600	3.3
193.12250	17.1
195.08099	4.7
195.11627	3.3
197.09583	3.2
199.07527	5.4
201.05397	4.0
201.09090	3.2
203.07062	3.0
207.11694	2.3
211.07620	3.4
211.11287	3.9
211.13290	26.4
213.09134	4.0
213.12708	3.3
215.07024	3.7
221.09618	2.1
225.09181	2.5
227.12744	8.4
229.54149	2.3
237.12666	2.5
239.10649	2.3
239.14122	2.1
241.12308	4.5
253.79375	2.2
255.13809	8.6
257.15305	4.1
259.13165	3.2
267.08994	5.9
267.15775	4.7
269.12506	2.6
271.06100	3.0
271.13242	3.8
273.14838	23.1
283.13150	10.7
285.09943	4.7
285.14236	11.1
285.17050	12.2
287.05682	2.6
289.14377	8.2
295.16653	2.8
297.14792	5.2
299.16412	3.6
301.14316	68.0
303.15848	7.4
311.16522	2.6
313.18173	2.7
315.15823	7.9
319.15390	9.0
323.16492	5.8
325.14331	4.1
337.16672	2.7
339.15689	3.0
341.17639	14.0
343.15500	18.4
361.16586	3.3
365.08340	3.8
375.18140	18.4
393.19080	4.6
417.18781	3.6
447.25424	2.6
457.24414	2.9
469.25128	2.1
475.24557	4.3
493.25812	8.1
511.26776	13.7
525.28333	2.9
529.27972	2.9
539.29730	6.4
543.29492	25.2
549.28430	4.5
555.29236	5.8
567.29395	29.8
573.30603	18.1
585.30658	100.0
603.31104	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.05508	23.3
57.07064	13.0
58.80377	2.1
65.03951	5.4
67.05177	3.1
67.05508	37.7
69.03423	13.4
69.07073	21.3
71.04992	3.0
71.54633	2.4
77.03931	3.5
79.05495	36.6
79.72800	2.1
81.03431	4.9
81.07062	46.7
83.04980	21.6
83.08624	19.1
85.06546	8.6
87.04459	8.1
89.06032	9.4
90.06354	2.1
91.05481	58.7
91.06021	4.1
93.06482	5.1
93.07047	76.3
95.04994	21.0
95.08609	47.4
97.06518	13.2
103.05456	7.6
105.04543	3.6
105.07038	96.0
106.07350	2.8
107.08601	81.5
108.08878	2.7
109.06536	16.6
109.10164	34.0
111.08097	4.6
111.11738	4.1
113.05987	2.9
113.09649	5.6
115.05455	7.6
117.07028	22.7
119.08588	100.0
121.06499	9.5
121.10152	96.8
121.11039	3.6
123.08086	15.8
123.11714	14.0
125.05990	4.0
125.09625	15.0
128.06224	14.5
129.07005	26.4
130.07837	10.8
131.08571	42.0
133.06512	5.8
133.08574	5.4
133.10130	63.7
135.08080	15.2
135.11688	21.5
137.09665	11.9
139.11209	7.3
141.06998	8.6
142.07784	24.2
142.48132	2.2
143.08572	44.3
144.09370	12.7
144.19521	2.6
145.06425	3.4
145.10126	73.2
147.08054	12.7
147.11697	25.0
149.09618	23.3
149.13287	4.5
151.07512	6.5
151.11215	2.5
153.06937	5.3
153.80357	2.6
154.07719	3.6
155.08571	21.5
155.10631	6.0
156.09334	20.3
157.10139	55.8
158.10786	8.6
159.08089	16.7
159.11700	42.9
160.12154	2.6
161.09612	16.9
161.13263	10.5
163.11176	9.6
163.14809	3.4
165.07019	7.6
165.09155	12.1
165.12817	2.9
166.07713	3.7
167.08635	13.2
167.10678	67.9
168.09319	7.8
169.10114	27.4
170.10863	8.5
171.11700	32.7
172.12329	3.0
173.09645	6.7
173.13286	22.3
175.11209	9.1
175.14810	16.0
177.12679	4.1
179.08562	10.3
180.09323	5.7
181.10130	16.5
181.12228	7.6
182.10890	8.3
183.11700	30.7
184.12338	3.8
185.09647	4.8
185.13257	21.3
187.11131	6.1
187.14844	12.5
189.12737	7.8
189.16302	2.8
191.08528	4.7
191.14345	6.3
193.10144	17.0
193.11757	2.8
194.10918	8.7
195.11740	20.2
196.12473	8.3
197.13266	25.4
198.13889	2.3
199.11163	6.7
199.14830	12.0
201.12743	6.6
201.16373	7.0
203.14296	6.9
205.10065	2.6
205.15894	4.0
206.10916	6.1
207.11737	14.3
207.13425	3.1
208.12419	7.7
209.13333	26.6
209.15210	4.0
210.13849	3.7
211.11130	2.8
211.14815	16.6
213.12799	5.3
213.16380	5.9
215.14331	7.6
217.10124	2.1
217.15924	5.2
219.11703	5.5
220.12460	5.0
221.13211	15.9
221.15393	29.1
222.13945	5.0
223.14740	13.7
224.15492	2.9
225.12885	3.9
225.16284	12.0
227.14357	5.0
231.11688	5.3
231.17326	2.5
232.12477	3.2
233.13229	6.3
233.15361	35.2
234.13934	3.8
234.16064	3.4
235.14861	9.0
237.12769	2.7
237.16391	6.5
238.16966	2.7
239.14359	2.9
239.17937	5.3
241.15826	3.5
241.19495	3.3
244.12376	3.1
245.13223	7.9
247.14790	7.8
247.16985	3.4
249.16377	7.2
251.17958	7.0
253.16107	2.5
255.17297	5.5
257.13293	4.6
257.19135	4.4
261.16327	6.5
263.17953	5.7
265.19608	8.1
267.17200	2.7
269.19019	5.7
270.98563	4.2
273.16180	4.8
273.18753	5.6
275.17789	4.7
277.19473	4.3
281.18961	5.9
283.20483	7.8
285.18573	4.8
287.20068	7.2
299.20187	4.7
301.21991	2.9
307.20554	3.2
311.19888	3.4
319.24301	2.9
325.21585	2.7
333.22101	3.2
335.40335	3.0
349.25122	3.7
361.25235	3.9
365.25366	3.1
367.25806	3.3
375.26788	2.9
416.25931	3.1
491.35342	3.1
509.36316	2.5
558.16919	2.5
565.40277	6.5
583.41449	13.3
601.26050	52.7
601.36774	24.4
601.42957	8.9
602.26245	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	601.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.3
55.05513	23.0
56.89038	3.7
57.07064	10.5
65.03915	7.4
67.05511	39.5
69.03423	15.7
69.07072	28.1
70.61475	12.7
71.04993	4.6
79.05499	45.3
81.03407	10.8
81.07061	50.5
83.04974	14.8
83.08617	18.7
85.06558	7.0
85.10172	5.8
87.04475	7.0
89.06001	14.5
91.05492	55.5
93.07043	79.1
95.04968	24.3
95.08615	37.4
97.06522	15.3
99.08080	6.7
103.05459	5.8
105.04489	6.4
105.07031	83.6
107.04907	4.6
107.08595	71.2
109.06538	12.9
109.10179	38.7
111.08054	5.2
113.09639	6.2
115.05450	9.2
117.07018	16.0
119.08584	100.0
121.06492	8.5
121.10147	76.5
123.08054	12.5
123.11687	11.1
125.09640	18.9
128.06213	9.5
129.07008	14.3
130.07722	5.4
131.08553	41.6
133.08588	8.1
133.10150	52.8
135.08072	13.0
135.11700	19.0
137.09599	9.1
139.11220	7.0
141.06982	8.7
142.07773	24.3
143.08597	44.6
144.09325	7.3
145.10147	70.1
147.08067	11.0
147.11678	25.0
149.09615	20.1
149.13292	7.7
153.06929	5.8
155.08539	15.4
156.09300	17.7
157.10126	62.5
158.10849	5.8
159.08069	17.4
159.11667	36.1
161.09607	18.2
161.13338	10.2
162.32449	4.5
163.11147	6.8
165.06978	6.8
165.09077	6.8
167.08569	11.5
167.10669	62.3
168.09323	5.1
169.10110	25.6
170.10872	7.7
171.11665	32.0
173.13290	19.7
175.14803	15.2
179.08553	9.1
181.10121	17.3
181.12332	5.0
182.10861	10.0
183.11667	27.8
185.13226	16.3
186.14012	6.0
187.11198	4.8
187.14893	13.1
189.12679	6.9
191.14345	5.9
193.10063	10.5
194.10899	8.3
195.11742	23.7
196.12410	8.9
197.13248	19.6
198.13742	5.2
199.14847	11.6
201.12761	9.0
201.16295	7.0
203.14409	7.0
207.11734	10.3
207.13695	6.5
208.12378	5.3
209.13269	21.4
211.14824	19.3
215.14275	8.5
219.11833	5.8
221.13251	14.9
221.15419	18.7
223.14766	13.9
231.11740	5.7
233.13359	6.5
233.15347	28.2
235.14742	8.8
237.16347	6.3
243.17690	4.9
245.13181	9.1
249.16397	6.6
251.17877	6.4
258.03293	4.7
259.14816	6.5
263.17920	5.1
265.19626	6.0
269.18954	13.1
270.98703	5.7
289.19617	4.5
297.22055	5.5
404.90057	5.0
470.93582	4.9
522.22473	5.5
583.41168	14.8
601.26068	57.7
601.36633	25.9
601.41687	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	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.7
53.03945	6.6
55.01870	3.0
55.05508	18.7
57.07072	12.2
59.04991	5.0
62.52307	2.9
65.03950	6.4
67.05505	36.4
69.03431	15.1
69.07070	25.0
69.26179	10.7
69.26606	13.0
79.05500	36.4
81.03419	4.4
81.07063	48.5
82.26884	2.8
83.04980	21.8
83.08620	9.8
85.06545	6.2
85.10162	2.2
87.04465	4.7
89.06052	2.9
91.05483	56.8
93.07044	84.5
95.04974	27.9
95.08615	47.0
97.06509	13.8
97.10163	5.3
98.20798	5.9
99.08115	2.9
105.04544	2.7
105.07035	100.0
107.04968	3.4
107.08598	71.0
109.06519	14.0
109.10159	30.9
111.04454	2.4
111.08083	5.6
115.05456	5.2
116.06248	3.2
117.07027	21.6
119.08578	91.1
120.08876	2.8
121.06509	12.1
121.10146	82.6
123.08069	21.7
123.11736	7.7
125.06005	7.9
125.09641	13.1
128.06226	12.8
129.07013	22.3
130.07745	8.9
130.91315	2.5
131.08560	41.7
133.06454	6.5
133.10135	61.1
134.10431	2.6
134.97253	2.4
135.08072	18.5
135.11723	20.6
137.09604	13.2
137.13202	2.7
139.11166	4.7
141.07010	10.0
142.07785	21.4
143.08551	46.2
144.09343	9.6
145.10133	72.2
146.10458	3.2
147.08067	23.2
147.11700	23.4
149.09654	19.8
149.13289	5.8
151.07555	12.0
151.11078	3.4
153.07011	3.6
154.07800	4.0
155.08586	19.3
156.09373	16.7
157.10143	61.3
158.10574	7.8
159.08090	16.4
159.11700	38.9
161.09637	20.1
161.13248	11.3
163.11171	17.8
165.06996	6.4
165.09105	46.3
166.07825	3.9
167.08571	9.6
167.10680	47.4
168.09344	7.3
169.10127	31.3
170.10852	10.9
171.11722	35.4
172.12155	5.4
173.09621	7.7
173.13309	26.2
175.11220	11.7
175.14777	14.5
176.11732	3.2
177.12750	3.9
179.08585	10.9
180.09355	5.0
181.10146	15.6
181.12189	16.4
182.10883	7.0
183.11696	30.6
184.08861	2.8
184.12376	6.5
185.09558	4.2
185.13254	24.6
186.13675	2.9
187.11203	5.9
187.14845	8.1
189.12761	11.4
191.14308	7.6
193.10136	10.0
193.12016	4.6
193.15921	2.7
194.10938	10.3
195.11726	21.2
196.12370	7.7
197.13255	22.6
199.11194	3.7
199.14848	15.1
200.15126	2.6
201.12755	7.8
201.16377	4.7
203.14282	16.3
204.14714	3.2
206.10947	5.4
207.11671	13.6
207.13750	6.9
208.12340	5.6
208.14185	2.9
209.13269	24.8
209.15186	4.7
210.13879	2.8
211.11218	4.3
211.14771	15.3
213.12747	7.1
213.16464	7.4
217.15822	7.0
218.10860	2.9
219.11729	5.6
220.12386	3.9
221.13272	12.9
221.15344	84.5
222.15706	6.8
223.14833	13.9
224.11748	2.8
225.12929	3.5
225.16429	10.5
226.78267	3.0
227.14343	5.2
227.17569	2.7
232.12466	4.0
233.13263	5.2
233.15346	24.2
234.13850	3.4
234.15907	3.9
235.14847	12.6
237.14604	3.3
237.16624	4.7
239.14352	3.8
239.17938	5.5
241.15887	3.5
245.13292	7.9
246.13989	4.4
247.14677	3.8
247.16978	3.1
249.11000	5.8
249.16466	6.3
251.18211	5.3
253.15874	4.3
255.17418	5.1
257.18970	4.5
261.16455	9.2
263.18115	4.4
265.15582	3.2
265.19547	7.5
267.17371	4.1
269.19138	3.8
270.19376	2.8
273.18713	4.1
275.17743	4.5
277.19446	3.5
279.20801	3.1
281.19012	5.5
283.20630	10.2
285.18555	3.5
286.19214	3.0
287.20096	5.8
289.19598	3.4
295.20425	4.7
299.20206	5.0
300.20868	3.6
301.21826	6.2
303.19653	7.7
304.19852	8.9
304.34531	2.6
311.20053	3.8
312.20648	3.5
313.21802	2.8
325.21539	5.6
349.25363	6.8
352.24051	12.7
353.24384	18.4
357.25854	3.0
361.25211	3.6
365.24719	4.5
366.24908	4.1
367.26447	8.0
375.26538	3.2
379.26120	3.7
491.35162	3.8
503.34821	8.8
509.35245	3.8
521.35883	13.7
565.40356	8.2
583.34015	4.2
583.41278	13.2
601.36688	25.7
601.42926	20.1
611.28711	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86761	2.1
51.02361	2.9
53.03938	6.1
55.05513	23.5
57.07066	9.2
59.04990	2.5
59.52147	2.1
65.03931	6.2
67.05505	35.8
69.03433	16.7
69.07073	22.9
69.24622	17.4
71.04996	3.2
72.65694	2.2
77.03922	2.7
79.05496	37.1
81.07057	51.7
83.04985	23.6
83.08614	16.6
83.63333	2.2
85.02933	2.3
85.06520	4.5
87.04472	4.6
91.05482	68.8
93.07047	84.2
95.04975	28.3
95.08609	42.5
97.06544	15.0
97.10213	3.0
103.05455	5.8
104.03197	2.0
105.04544	3.4
105.07031	95.3
107.04931	3.2
107.08592	84.8
109.06537	13.3
109.10155	38.4
111.08065	6.7
111.11713	2.9
113.09669	4.3
115.05459	5.9
116.06232	2.5
117.07018	20.3
119.04849	2.4
119.06133	2.6
119.08583	100.0
120.08881	3.6
121.06506	10.8
121.10144	95.0
122.10539	2.8
123.08087	11.9
123.11712	10.4
125.05988	2.8
125.09644	18.4
128.06203	14.0
129.07011	20.9
130.07744	9.9
131.08583	45.2
132.09317	3.0
133.06493	6.8
133.07549	3.1
133.10139	63.0
134.10443	2.6
135.08063	19.8
135.11696	23.2
137.09613	11.0
139.11182	5.1
141.06985	12.1
142.07782	26.1
143.08569	41.5
144.09341	10.5
145.06438	3.7
145.10126	88.4
146.07281	2.4
146.10451	3.7
147.08017	13.1
147.11707	25.8
149.09637	23.5
149.13289	4.2
151.07532	6.2
151.11197	3.0
153.07025	4.2
154.07814	4.2
155.08549	21.8
155.10651	4.8
156.09357	23.2
157.10133	67.1
158.10825	9.0
159.08064	19.7
159.11702	48.9
161.09639	15.9
161.13188	10.0
163.11215	11.7
165.07002	7.4
165.09117	10.2
166.07710	4.2
167.08511	8.2
167.10681	77.0
167.14325	2.5
168.09290	6.9
169.10147	25.0
170.10880	9.1
171.07996	3.0
171.11697	36.1
172.12346	3.4
173.09615	6.8
173.13275	25.5
174.10350	2.3
175.11208	9.8
175.14836	14.6
177.12761	2.5
178.07732	4.3
178.75049	2.3
179.08575	11.4
180.09306	7.8
181.10115	20.0
181.12206	7.3
182.10899	9.7
183.11705	31.7
184.12485	5.6
185.09639	6.1
185.13306	20.2
187.11250	4.4
187.14809	15.6
189.12741	6.3
189.16393	2.5
191.14336	6.9
192.09392	5.0
193.10158	13.1
193.11992	2.3
194.10913	12.4
195.11662	26.8
196.12405	8.8
197.09630	2.6
197.13263	30.7
199.11166	6.0
199.14854	15.5
201.12805	3.6
201.16354	6.3
203.14333	9.0
205.10081	3.1
205.15862	2.7
206.10802	4.6
207.11685	19.5
207.13565	3.7
208.12413	9.1
209.13306	25.9
209.15199	2.8
210.13948	5.8
211.11287	2.4
211.14867	19.3
213.12752	5.7
213.16359	8.0
215.14320	8.8
217.15897	5.5
219.11736	5.6
220.12466	6.2
221.13257	14.7
221.15387	21.0
222.13957	3.7
223.11351	2.6
223.14792	21.4
224.15404	3.3
225.12750	4.9
225.16417	8.7
227.14398	3.7
229.15869	3.4
231.11818	4.6
231.17540	2.7
232.12450	5.0
233.13255	6.3
233.15373	35.6
235.14920	12.4
235.16861	3.9
237.16396	8.0
239.14363	3.0
239.17950	5.0
241.15819	3.7
243.11638	2.6
243.17502	2.9
245.13229	4.6
246.14037	4.0
247.14760	7.0
247.16951	2.8
248.15410	3.5
249.16336	9.2
251.17937	8.6
253.15993	2.4
255.17467	3.7
256.17761	3.2
257.13159	2.4
258.14240	3.1
259.14819	4.7
260.15585	4.5
261.16339	7.7
262.16977	2.6
263.17932	5.6
265.19485	6.8
269.18857	10.4
271.20557	2.9
272.15875	3.1
273.16101	4.1
273.18686	3.2
275.17825	5.7
277.16086	2.0
277.19547	5.7
279.21167	2.1
281.18918	4.3
283.20587	7.7
285.18646	4.6
287.17697	2.9
287.20401	3.3
289.19449	4.0
293.19199	2.2
295.20480	7.8
297.22012	2.6
299.20056	7.8
303.20938	2.2
307.20334	2.7
309.22211	2.9
311.20178	3.6
329.22531	2.3
331.24310	3.5
349.25125	5.3
365.24664	4.3
367.26370	3.8
491.34500	2.5
527.65082	2.4
565.40100	8.1
583.41412	14.3
601.43585	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
55.01880	2.9
55.05315	1.8
55.05515	23.3
57.07081	15.3
59.04988	3.3
65.03944	5.2
67.05509	28.2
69.03436	14.1
69.07071	23.9
69.48540	16.4
69.81930	2.4
70.06589	3.8
71.08604	2.6
77.03940	2.3
79.05494	32.2
81.03413	2.7
81.07057	44.7
83.04995	17.8
83.08633	12.9
85.06529	3.7
87.04455	3.7
91.05485	62.8
91.69099	2.3
93.07043	82.8
95.04978	26.9
95.08612	36.1
97.06511	10.3
98.20781	4.1
103.05447	6.1
105.04527	2.5
105.07035	100.0
106.07304	3.0
107.04958	3.9
107.08602	73.3
108.08880	3.0
109.06537	12.3
109.10152	27.4
111.08102	4.5
111.11690	3.5
115.05451	8.5
116.06276	3.5
116.07074	7.4
117.06999	22.7
119.08582	95.2
120.08890	3.4
121.06530	15.8
121.10151	72.2
123.08090	19.6
123.11698	7.0
125.06003	5.6
125.09623	10.4
128.06210	11.1
129.07013	21.8
130.07768	9.5
131.08582	36.2
133.06500	5.7
133.10130	62.4
135.08057	21.6
135.11742	18.3
137.09599	9.7
139.11241	5.0
141.06955	9.8
142.07805	19.2
143.08566	44.0
144.09247	8.0
145.10127	66.3
146.10490	3.6
147.08040	19.2
147.11649	20.2
149.09630	18.4
149.13283	4.0
151.07515	13.2
151.11218	2.9
153.07005	2.7
154.07784	3.2
155.06117	2.7
155.08553	16.2
155.10612	3.6
156.09377	17.2
157.10141	52.3
158.10786	9.3
159.08049	10.0
159.11696	41.3
160.08775	4.0
161.05978	2.5
161.09615	15.6
161.13252	10.7
163.11195	12.7
163.15012	2.3
165.06963	9.4
165.09126	24.7
167.08511	7.3
167.09198	2.6
167.10663	46.5
168.09366	6.4
169.10121	31.8
170.10956	11.9
171.10277	2.7
171.11697	38.0
172.08888	2.6
172.12325	2.8
173.09583	7.6
173.13275	23.5
175.11154	12.7
175.14799	12.6
176.11488	2.4
179.08557	10.1
180.09393	6.0
181.10095	15.7
181.12231	10.0
182.10846	7.3
183.11693	29.4
184.12334	6.1
185.09601	5.1
185.13243	21.1
187.11179	6.8
187.14807	9.9
189.12711	11.2
190.13350	2.5
191.14293	6.7
192.09377	6.1
193.10126	12.9
193.12054	3.9
194.10844	7.3
195.11719	24.4
195.13556	3.9
196.12381	7.9
197.09598	3.6
197.13229	23.5
198.10188	3.0
198.13737	2.9
199.11136	6.0
199.14806	14.4
201.12727	3.9
201.16353	5.4
203.14288	15.7
204.14583	2.7
205.10252	4.8
206.10812	7.3
207.11699	12.5
207.13634	4.2
208.12411	4.3
208.14383	2.7
209.13347	25.0
209.15213	4.2
210.13918	6.3
211.11176	4.6
211.14804	20.4
213.12669	5.9
215.14291	6.3
217.10158	3.6
217.15799	6.9
219.11644	4.0
220.12495	5.1
221.13225	12.8
221.15324	68.8
222.13850	3.7
222.15735	6.6
223.14856	13.8
224.15321	3.5
225.16391	8.3
226.17041	2.5
227.14232	7.2
229.15877	3.6
231.11526	3.5
232.12547	3.7
233.13208	6.4
233.15352	20.7
235.14740	8.7
236.15390	2.9
237.16382	7.1
238.15147	3.3
239.17828	3.1
243.17487	4.8
245.13332	3.1
246.13857	3.3
247.14812	6.0
247.17062	3.8
249.16277	6.4
251.17940	5.2
253.19339	3.1
255.17346	3.2
257.18954	5.5
259.14749	4.5
261.16245	8.2
263.18143	5.0
265.19482	7.0
267.17374	3.1
269.19022	5.8
271.20206	2.8
275.17886	6.0
277.19427	3.6
279.17474	3.5
281.18994	4.4
283.20526	8.2
287.20178	6.4
289.19470	5.9
291.21106	2.4
295.20569	4.3
299.20071	5.1
303.19324	3.9
304.19955	4.4
311.20154	2.7
312.20813	3.5
313.21225	2.7
331.24158	3.3
349.25085	4.3
352.23892	10.3
353.24301	12.3
361.25272	3.3
365.24747	3.4
367.26230	3.0
431.25665	2.3
473.34137	3.1
491.34848	4.3
503.34674	4.5
509.34958	2.8
521.35724	9.3
565.40204	10.3
583.41632	15.7
601.41876	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	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.4
57.07062	15.5
59.04985	4.7
67.05514	20.9
69.03433	7.1
69.07072	10.9
69.19736	13.3
69.20157	28.4
71.04991	5.0
79.05482	12.3
81.07058	27.8
83.04974	5.7
83.08590	4.6
85.06547	4.9
87.04439	4.0
89.06039	6.8
91.05485	24.7
93.07040	33.2
94.07426	4.3
95.04975	7.6
95.08611	34.8
97.06531	7.6
102.22467	3.8
105.07031	33.3
107.08608	24.2
109.06509	8.0
109.10139	13.7
117.07017	11.8
119.08579	50.2
121.06514	5.0
121.10145	29.6
123.08067	19.8
123.11723	4.2
129.07031	10.0
131.08557	16.9
133.08609	4.5
133.10109	20.4
135.08046	14.1
135.11667	10.9
137.09590	13.5
142.07768	5.1
143.08551	11.5
144.09337	5.7
145.10095	28.7
147.08090	21.7
147.11710	7.4
151.07527	13.5
155.08566	9.2
157.10152	20.9
159.11710	19.1
161.09586	4.4
161.13289	4.3
163.11215	7.4
165.09126	48.9
169.10092	10.2
171.11665	14.6
173.13315	10.2
173.19257	4.3
175.11136	6.7
175.14941	6.8
179.08595	4.0
181.10193	4.8
181.12270	7.9
183.11652	10.4
185.13258	6.2
187.14911	7.1
189.12767	4.2
191.14194	4.3
193.10143	4.2
195.11681	6.0
197.13190	6.3
203.14311	13.7
207.11743	4.7
207.13861	3.8
221.13408	5.7
221.15356	100.0
247.16862	6.3
283.26102	5.1
287.20029	7.0
299.20135	5.4
304.77332	4.1
329.26962	4.6
353.24435	7.2
444.90219	4.4
491.35327	5.8
521.35840	15.9
583.41553	12.2
601.42517	37.6
601.56128	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53593	0.9
51.02378	0.9
51.85681	0.8
53.03935	2.3
55.05267	0.9
55.05499	5.2
57.07078	6.9
59.04999	3.4
62.49166	0.9
62.92630	1.0
64.55173	0.9
67.05507	10.5
69.03429	7.7
69.07070	4.9
69.20208	6.4
69.20632	3.8
71.04979	0.9
75.24387	1.0
76.96416	1.0
79.05496	8.7
81.07061	15.8
83.04987	3.2
83.08621	2.3
85.06557	2.6
89.06039	1.3
91.05482	14.9
93.07049	27.8
95.04975	5.3
95.08616	15.5
97.06539	2.8
103.05480	1.4
105.07033	30.8
106.07359	1.1
107.07896	1.4
107.08603	16.9
108.08964	1.2
109.06540	6.5
109.10171	6.5
117.07035	8.3
119.08581	32.7
121.06505	3.5
121.10139	16.4
123.08066	12.9
123.11726	1.6
125.05980	3.4
125.09550	1.1
128.06232	2.9
129.07036	5.6
130.07799	3.1
131.08582	13.1
132.09270	0.8
133.06520	1.9
133.08635	1.5
133.10141	17.2
134.10483	1.2
135.08057	9.2
135.11702	6.4
137.05914	1.2
137.09630	12.5
139.07545	1.5
140.46106	0.9
141.07018	2.3
142.07791	5.3
142.59962	1.2
143.08568	12.6
144.09323	3.8
145.10133	25.4
147.08051	21.3
147.11714	5.1
147.74945	1.0
148.08481	1.0
149.09564	4.7
150.09950	1.1
151.07542	11.9
151.11191	1.7
155.08585	3.5
156.09317	4.9
157.10141	15.8
158.10829	1.7
159.08081	1.7
159.11703	14.1
161.09645	4.9
161.13210	5.4
163.11150	8.0
164.11688	1.3
165.09119	39.8
166.09445	2.5
167.08594	2.8
167.10692	1.4
168.09384	1.6
169.10127	7.2
170.10922	3.5
171.11705	11.5
172.12318	1.2
173.09567	2.3
173.13284	6.6
175.11224	4.6
175.14859	4.0
177.09134	1.4
179.08623	2.6
181.10191	3.4
181.12270	9.7
182.10902	2.4
183.11732	7.4
184.12315	1.4
185.13298	4.9
187.11206	1.8
187.14827	4.0
189.12782	4.3
190.13556	1.4
191.14310	3.9
192.11197	1.0
193.10153	1.9
193.12256	1.6
194.10921	1.9
195.11809	5.6
195.13690	1.0
196.12459	2.2
197.13220	5.0
198.14008	1.6
199.11227	2.3
199.14839	1.9
200.11884	1.1
201.12854	1.3
201.16505	1.5
203.14308	15.5
204.14758	1.4
207.11742	3.1
207.13844	6.7
208.14508	2.0
209.13313	5.1
209.15134	2.0
210.13812	1.3
211.11195	1.3
211.14841	3.9
212.11876	1.2
213.12865	1.5
213.16350	3.3
214.13376	1.2
215.14462	1.5
219.11801	1.2
219.13821	2.2
220.12558	1.5
220.14523	1.1
221.15373	100.0
222.15742	6.6
223.14853	3.7
225.16354	2.3
233.13329	1.5
233.15421	1.8
234.16040	1.5
235.14717	2.1
235.16844	1.7
239.18062	1.2
240.14563	1.0
247.14821	1.3
247.16949	6.1
248.17404	2.7
249.16373	1.1
251.17847	1.2
265.19550	2.1
269.15729	1.3
274.19327	1.7
281.19238	1.2
285.18625	1.4
286.19366	2.5
287.20020	6.2
288.20374	1.9
297.21997	1.7
299.20071	4.8
300.20770	4.6
301.21735	4.5
304.75903	1.1
311.20145	1.6
312.20865	1.9
313.21503	2.0
319.20901	1.3
325.21677	2.5
326.22186	2.1
327.23007	1.2
340.23926	1.8
341.24469	2.5
352.23929	3.4
353.24533	3.6
367.26401	9.2
375.27066	1.7
393.27890	3.3
425.30606	1.2
426.27386	1.8
427.28210	2.0
428.28726	3.4
440.29279	2.8
441.29514	10.2
455.31174	1.6
491.35150	11.3
509.36124	3.9
520.35181	1.2
521.36096	9.7
565.40442	1.8
583.41418	13.2
601.42499	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	601.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
67.05516	2.6
69.07059	1.2
70.66935	0.6
71.17171	0.6
71.17507	0.5
79.05469	2.2
81.03410	0.8
81.07043	2.3
83.08625	0.8
87.69643	0.5
91.05466	2.3
93.07022	3.4
95.04958	0.8
95.08604	2.4
97.06518	0.9
100.18651	0.5
101.00898	0.6
105.07032	3.0
107.08627	2.9
109.06506	0.6
109.10141	1.6
111.08102	0.6
113.00848	0.5
115.02443	0.5
115.03698	2.7
116.38029	0.5
117.07023	1.1
119.08630	3.0
121.10173	2.5
123.08108	0.5
123.11740	0.7
127.02451	0.6
131.01900	1.7
131.08543	1.4
133.03453	6.3
133.10114	2.1
135.08105	0.6
135.11713	1.0
137.09706	0.5
139.02394	0.8
143.08517	1.2
145.03452	2.0
145.10168	2.6
147.08121	0.6
147.11670	0.7
149.02068	0.7
151.04509	1.2
155.08583	0.8
156.05084	0.8
156.09390	0.8
157.03473	1.6
157.10097	1.6
159.05074	0.6
159.11702	1.5
159.77791	0.5
161.02945	1.7
161.13278	0.7
165.09172	0.8
167.01897	2.0
167.08525	0.6
167.10701	1.1
169.03482	1.2
169.10123	1.5
171.05074	0.9
171.11693	0.8
173.13295	1.0
175.04518	1.6
182.98123	1.0
183.11786	0.9
185.02969	4.0
185.13313	0.9
187.04533	1.9
189.06001	0.7
189.12669	0.6
195.11795	0.6
197.13243	0.7
201.06137	3.3
203.04042	0.9
209.13295	0.7
211.14841	0.7
212.98450	1.0
217.05673	1.2
220.99762	1.1
221.13278	0.5
221.15440	1.6
222.15701	0.8
230.99707	1.5
233.15431	0.7
239.00778	2.3
241.05496	1.0
244.02780	0.5
248.99240	1.8
249.00336	1.8
263.17868	0.7
267.00226	1.9
281.01730	2.3
281.19199	0.5
301.20093	20.8
305.01700	1.3
319.21204	2.6
323.02829	0.9
335.25800	1.1
341.04578	6.2
342.22891	1.7
357.24210	0.7
359.04971	1.1
375.25064	100.0
376.25256	0.6
417.25906	1.0
503.29770	1.0
513.22693	0.6
541.23224	2.5
565.23279	0.8
583.25183	5.7
601.25525	28.0
601.41528	1.6
602.26038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
54.73742	1.7
55.05498	6.0
57.07078	15.0
59.05003	4.3
65.03941	2.7
67.05505	14.7
67.46961	1.6
69.03429	11.5
69.07062	4.8
69.95009	5.4
69.95412	3.5
75.07970	1.7
77.59981	2.2
79.05499	12.9
81.07068	20.8
83.04973	6.9
83.08617	2.4
85.06557	6.3
89.06026	8.2
90.65155	1.8
91.05484	31.7
92.06267	2.9
93.06481	2.7
93.07048	36.5
95.04967	10.1
95.08610	22.9
97.06541	4.7
98.21603	2.0
103.05495	2.1
105.07033	43.8
106.07809	4.0
107.08601	25.3
108.76014	1.8
109.06503	13.6
109.10158	5.2
111.08098	3.2
115.05442	3.2
117.07016	13.4
119.04964	2.7
119.08588	59.7
120.09403	3.7
121.06515	6.8
121.10138	24.2
123.08076	20.7
123.11758	2.6
125.06003	11.2
128.06253	4.2
129.07010	14.2
130.07813	3.5
131.08572	24.3
132.09354	3.7
132.75543	1.8
133.06493	4.3
133.08562	2.6
133.10136	26.4
134.10878	2.8
135.08051	21.2
135.11694	8.8
137.05952	4.0
137.09622	12.9
137.79276	2.0
139.07497	2.8
141.06966	4.3
142.07751	11.7
143.08554	20.2
144.09315	6.0
145.06459	3.0
145.10127	42.4
146.10835	2.0
147.08054	30.5
147.11667	7.8
148.08728	3.0
149.09642	14.7
151.07564	11.8
151.11111	2.2
154.07793	2.7
155.08549	10.2
156.09317	6.7
157.10136	33.4
158.10869	4.4
159.08061	8.3
159.11687	25.4
160.08806	3.4
161.09621	11.6
161.13260	5.5
163.11171	18.7
164.08264	2.0
164.11990	2.5
165.07013	4.0
165.09117	45.6
165.10503	2.2
167.08572	5.2
168.09424	2.4
169.10120	13.2
170.10941	5.3
171.11726	17.3
172.12474	4.5
173.09624	7.1
173.13309	9.3
175.11162	21.2
177.09135	4.5
177.11259	3.0
177.12758	2.5
178.09851	3.0
179.08562	4.6
179.10777	3.0
180.09415	2.2
180.11455	4.0
181.10184	6.2
181.12239	20.3
182.10867	3.9
183.11684	18.7
184.12468	4.1
185.09654	4.5
185.13281	8.5
186.14001	2.2
187.11183	7.4
187.14819	3.5
189.12775	8.3
190.13528	7.7
191.10677	5.8
193.10194	5.6
193.12260	10.8
194.10892	4.5
195.11726	10.1
195.13577	2.1
196.12460	4.0
197.09694	2.5
197.13269	11.1
199.11255	6.8
199.14906	2.8
201.12750	7.6
203.14339	17.2
205.12079	2.2
206.10930	2.1
207.11745	7.6
207.13829	13.5
208.12660	3.3
208.14572	11.6
209.13394	9.2
209.15213	3.2
210.14020	3.6
211.11182	3.5
211.14798	8.0
212.12018	2.1
212.15468	3.2
213.12740	7.6
215.14377	3.8
217.12270	2.9
219.11845	2.6
219.13731	9.8
221.13380	5.3
221.15364	100.0
222.15709	7.2
223.11256	3.0
223.14835	4.4
225.12740	3.6
225.16339	4.1
227.14284	4.2
229.12213	2.3
233.13278	3.3
233.15456	5.3
234.16153	23.8
237.12805	5.5
239.14310	2.8
239.18068	2.2
240.18767	1.8
241.12157	2.0
247.14702	2.0
247.16962	32.8
248.17624	4.0
249.16360	3.5
251.14337	3.6
251.17973	3.5
257.15460	2.3
259.16980	7.2
261.18607	2.7
265.15909	2.5
269.15259	2.0
271.17014	3.2
273.18811	2.2
274.19336	15.9
281.18887	3.1
283.17102	2.4
283.26263	4.9
285.18628	2.7
286.19144	5.0
287.20203	15.1
291.17377	1.8
297.18594	4.0
298.19312	2.3
299.20093	18.6
300.20740	3.3
307.20612	2.8
310.19238	3.2
311.20047	4.7
312.20810	8.5
313.21564	9.3
319.20551	2.2
325.21667	20.2
327.23035	5.0
337.21683	5.1
339.23199	6.8
340.24002	24.8
352.23969	37.0
353.24686	2.3
365.24893	4.5
366.25696	4.5
377.24390	2.7
379.26367	4.1
387.25284	3.9
391.26492	3.5
392.27106	4.1
413.26752	9.7
419.29413	7.7
420.29880	3.2
425.26852	11.0
426.27676	3.8
427.28537	25.2
440.29221	63.1
442.30542	3.5
454.30591	2.2
507.34515	4.6
508.35690	4.5
520.35486	43.4
565.40942	2.5
585.39685	4.3
600.41589	34.4
600.55615	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	601.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05587	1.3
56.96648	0.7
67.05299	1.0
67.05624	2.1
69.03521	1.2
69.07188	1.7
69.32018	5.2
71.05105	1.0
72.08290	2.0
79.05595	1.2
81.03556	2.1
81.07201	4.3
83.05100	1.0
83.08715	0.8
85.03027	1.0
91.05634	2.6
93.07207	3.7
95.05097	1.4
95.08770	2.3
97.03032	0.8
97.06642	0.8
97.10285	1.1
99.04591	1.3
103.05585	0.8
105.03570	3.4
105.06586	0.7
105.07210	2.2
107.04420	0.5
107.05117	1.5
107.08778	2.3
109.03059	1.7
109.10336	2.4
111.08283	0.7
119.05091	0.9
119.08699	1.1
120.08268	0.7
121.10345	2.5
123.04574	1.1
123.11906	1.6
125.09803	0.8
127.04082	1.4
131.05042	1.2
133.10330	1.8
135.11873	2.0
137.06126	0.8
139.11331	0.6
145.10202	1.0
147.04431	5.0
147.11902	1.1
149.13402	0.9
151.11389	0.7
163.11409	0.7
167.07062	4.0
183.06909	0.5
205.12086	1.3
219.10287	0.9
223.13318	2.1
271.06195	0.9
287.05734	1.1
305.24988	1.3
323.25928	0.7
329.05371	1.1
331.07788	0.7
349.08975	20.2
365.08597	1.0
422.80145	0.7
423.06723	0.6
531.22052	94.9
532.22125	1.0
583.28540	0.9
601.13318	3.4
601.26086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09789	1.3
53.03945	3.2
53.83563	1.2
55.05510	8.1
55.48311	1.0
57.03427	4.3
57.07077	2.2
59.05001	1.5
67.05508	10.6
69.03442	6.9
69.07078	7.3
70.51984	3.6
71.04994	23.1
73.06570	1.2
75.04472	5.6
79.05072	2.2
79.05500	24.7
81.03408	5.2
81.07062	28.0
83.04983	2.2
83.08612	2.6
83.85656	1.2
85.02919	6.3
85.06535	3.4
90.70695	1.2
91.04966	1.9
91.05492	20.5
93.07049	100.0
95.04961	5.3
95.08611	32.8
96.29716	1.2
97.02890	4.6
97.06555	3.4
97.10179	2.0
99.04390	1.3
99.08091	4.0
105.07036	33.4
107.04987	1.9
107.08598	36.0
108.34646	1.3
109.02913	2.8
109.06544	2.0
109.10161	10.0
111.04443	2.1
111.08065	5.9
117.07014	3.3
119.08597	16.1
121.10149	89.1
123.08116	2.8
123.11713	6.8
125.09620	17.3
127.03928	3.5
127.07588	1.7
127.11213	3.0
131.04948	2.5
131.08609	6.3
133.07524	1.2
133.10143	44.3
135.11694	3.6
139.11194	7.8
143.10684	31.6
145.10130	9.1
147.04428	2.3
147.11696	14.5
149.09654	15.4
149.12169	2.0
149.13252	16.4
151.11168	2.8
159.11629	6.5
161.13242	3.4
167.10695	34.5
167.14319	52.3
169.12175	1.6
173.13347	2.0
177.93929	1.2
190.39793	1.2
199.07637	1.4
201.16432	8.1
219.17453	26.8
237.18501	4.6
275.12717	2.0
279.11572	1.5
283.15350	2.9
293.13809	4.2
311.14911	26.9
328.17215	1.5
329.15811	2.8
358.98666	1.4
600.34619	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.1
55.05517	13.3
57.07062	22.0
63.21185	10.2
67.05489	33.1
67.78649	10.6
69.07059	24.4
69.96719	20.2
69.97070	56.1
71.08617	18.6
79.05476	12.9
81.07047	47.9
89.06025	78.5
91.05475	46.0
93.07028	54.3
95.08591	51.9
97.06515	25.0
103.14326	12.5
103.42001	10.4
105.07029	53.9
107.08585	31.0
109.10136	24.3
119.08591	56.9
121.10124	36.0
123.08069	22.0
129.07011	15.7
131.08539	34.2
133.08594	38.7
133.10138	34.1
135.08073	22.1
139.11197	15.4
142.07729	13.0
143.08546	34.3
145.06473	19.3
145.10133	62.6
147.08044	35.3
147.11684	23.4
149.09557	12.6
151.07526	19.4
155.08571	14.7
157.10103	53.5
159.11702	35.7
160.08829	51.5
163.11165	19.6
165.09103	49.1
169.10112	22.4
171.11679	17.0
173.13196	20.2
175.11238	17.5
181.10086	12.2
181.12259	33.4
182.10910	14.6
183.11723	17.7
185.13263	19.5
190.13510	12.9
193.12238	17.7
195.11685	13.3
197.13377	13.7
203.14340	24.4
208.14668	15.1
209.13333	14.2
211.14786	21.6
221.13512	17.0
221.15352	100.0
221.70502	12.6
234.16101	20.6
247.16954	19.0
286.19144	16.9
299.19791	16.1
312.20865	13.8
316.31238	13.8
352.24115	26.6
360.70084	14.8
365.24515	17.2
411.30496	13.5
415.25281	15.0
440.29129	42.2
520.35400	32.8
600.41229	68.7
600.55170	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01861	0.9
55.05517	6.7
56.24039	1.0
57.03441	4.7
57.07064	1.7
59.04990	3.2
61.05626	0.9
65.03951	1.4
65.13349	1.1
67.05502	8.6
69.03437	8.2
69.07082	6.8
71.04994	20.8
71.54107	1.3
73.06541	1.9
75.04491	6.6
79.05498	22.8
81.03408	4.3
81.07065	22.5
83.04995	2.1
83.08616	3.9
85.02895	6.8
85.06553	2.0
90.11732	1.1
91.05484	19.4
93.07050	96.2
95.04981	6.0
95.08611	29.7
97.02879	5.3
97.06523	3.8
97.10181	2.5
99.04466	1.8
99.08092	3.2
103.05486	1.4
105.07036	35.0
107.08600	39.1
109.02876	3.0
109.10162	12.8
111.04454	1.5
111.08093	8.5
111.75356	1.4
117.07005	2.4
119.08594	21.0
121.06478	2.2
121.10150	100.0
123.08059	2.5
123.11716	8.0
125.06017	1.3
125.09646	21.8
127.03922	3.2
127.07568	2.8
127.11176	3.0
129.07016	1.2
131.08578	9.4
132.10345	1.0
133.10135	50.8
135.11691	2.8
137.09584	1.1
139.11154	4.9
143.08568	1.7
143.10681	43.9
145.04977	1.8
145.10156	9.3
147.08130	1.4
147.11702	15.6
149.09641	18.3
149.13263	20.6
151.11153	2.6
157.10123	2.0
159.11671	9.5
161.13249	3.7
163.11165	1.5
165.09077	1.4
167.10692	44.9
167.14325	58.3
169.12242	1.2
173.13269	1.5
191.10693	2.1
201.16409	9.2
203.17970	2.1
203.67592	1.1
207.10182	1.4
219.17447	39.2
229.12270	1.3
237.18477	6.3
249.17813	1.2
251.12906	1.2
265.14447	1.7
275.12787	2.0
287.05643	1.2
293.13800	6.6
309.18774	1.1
311.14911	37.7
329.15948	2.9
345.20374	1.0
345.93472	1.0
511.30060	1.3
529.31708	1.7
608.10309	1.3
608.62927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08644	0.2
61.02921	0.3
69.03409	0.7
71.35998	0.3
81.03430	0.3
83.45253	0.2
85.02903	1.9
91.05480	1.1
96.85891	0.2
97.02889	0.6
103.05442	0.2
104.65038	0.2
105.07033	0.5
107.04958	0.9
109.06517	0.2
115.05440	0.5
116.06213	0.4
117.06989	0.4
119.04919	0.3
122.35549	0.2
127.03916	0.2
128.06207	1.2
129.06998	4.1
131.07597	0.4
131.08565	4.9
133.06473	0.7
133.10063	0.3
136.06223	0.4
141.06970	1.0
142.07791	0.5
143.08560	0.8
144.05692	1.9
145.06454	1.1
146.07254	0.7
147.04391	0.6
153.06998	0.7
156.05739	0.2
157.06509	2.2
158.07281	0.4
159.08055	9.2
161.06003	0.6
161.09625	2.4
162.07602	0.3
167.07030	0.6
169.06328	0.3
169.07613	0.8
170.07240	1.2
171.08034	1.9
172.05220	0.7
173.05968	0.9
174.06703	0.6
175.07541	0.6
177.05539	0.3
178.06152	0.3
187.07545	7.2
189.05492	0.5
189.09097	3.0
190.06293	0.4
192.07829	0.3
193.08649	0.3
198.06743	0.6
199.07527	1.1
203.07039	1.3
204.07825	3.8
205.08560	0.7
206.09427	0.4
216.07838	1.3
217.08578	0.6
218.09492	0.4
219.10190	1.9
221.08228	0.3
221.11813	1.4
231.10187	2.7
234.08955	0.5
237.11220	1.0
249.11217	100.0
267.12268	4.7
410.23645	0.2
411.16663	0.4
427.12549	0.3
519.55493	0.2
611.77423	0.2
621.07446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95823	0.4
55.05511	0.7
56.96558	0.4
57.03448	0.6
59.05002	1.0
59.57206	0.3
61.12587	0.4
63.07529	0.5
67.05513	2.3
69.03427	0.7
69.07052	0.9
71.04994	1.3
79.05494	1.7
81.03427	2.5
81.07062	2.9
83.05002	1.1
83.08630	0.8
85.02911	0.5
85.06557	0.4
91.05499	2.1
93.07028	1.8
95.04961	1.0
95.08604	1.2
97.02884	0.4
97.06538	0.7
99.04469	0.4
105.07036	2.0
107.08617	2.0
109.06544	0.4
109.10199	1.1
119.08605	1.1
121.10146	1.7
127.03985	0.5
129.07011	0.4
130.82893	0.4
131.08603	1.2
133.10144	1.6
139.03964	0.4
145.01721	0.4
147.11719	1.0
149.09685	1.5
157.10178	0.6
165.09125	0.4
175.11206	1.0
193.12347	1.0
195.08833	0.3
197.15569	0.4
207.04202	0.3
210.48975	0.4
233.11572	0.7
247.48743	0.4
267.09225	0.6
267.15991	1.4
283.12018	0.9
283.15186	15.8
287.05508	1.1
299.18588	0.4
339.13806	0.5
339.17792	8.3
589.49835	0.4
599.34064	100.0
600.34552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46568	1.4
55.05513	4.7
57.07065	6.3
59.04993	2.5
65.03645	1.2
67.05507	12.9
69.03432	6.8
69.07076	4.7
71.54002	1.3
71.54372	1.5
79.05490	9.7
81.03436	2.1
81.07059	13.6
83.04989	2.1
83.08633	2.6
85.02947	1.7
85.06546	4.1
91.05497	11.8
93.07047	21.0
95.04973	4.9
95.08607	15.7
97.02876	2.1
97.06532	3.2
105.07038	22.2
107.08602	15.0
109.06516	4.3
109.10169	7.7
115.11223	1.2
117.07030	4.1
119.08585	24.1
119.09370	2.0
121.06548	4.4
121.10153	18.9
123.08071	11.0
123.11784	2.1
125.06007	2.3
125.09653	1.3
127.03992	1.8
129.07008	3.3
130.07800	2.4
131.08553	10.7
131.09283	1.1
133.06549	1.6
133.10153	11.7
135.08038	10.1
135.11710	4.6
137.09625	13.1
139.03920	5.2
139.07515	1.6
142.07762	6.1
143.08556	7.6
144.09402	1.7
145.06464	2.4
145.10129	18.3
147.08070	22.8
147.11716	5.5
149.09647	3.8
149.13217	1.3
151.07533	7.6
155.08594	5.8
156.09392	5.3
157.10135	15.8
159.08057	4.4
159.11696	8.7
161.09666	7.7
161.13283	5.5
163.11238	8.5
165.09125	47.6
167.08513	1.5
167.10710	2.4
168.09381	2.5
169.10104	7.3
170.10954	4.2
171.11671	9.8
173.09657	2.9
173.13283	3.6
175.11256	2.6
175.14851	2.6
179.08621	1.8
181.10248	2.6
181.12268	6.6
183.11743	13.1
185.09700	1.4
185.13258	7.6
187.11226	4.1
189.12823	3.6
191.10799	2.0
191.14417	1.3
193.10132	2.8
195.11758	5.8
195.13617	1.4
197.13336	5.7
199.11192	3.2
201.12796	2.1
203.14328	14.1
203.16028	2.0
206.10954	2.0
207.11816	2.8
207.13855	5.9
209.13286	5.1
211.14853	4.8
213.12845	2.9
220.12590	1.9
221.15373	100.0
227.14363	2.2
233.13359	1.9
233.15308	2.7
235.14970	2.5
247.16930	16.7
262.22595	1.6
265.16302	1.7
273.18417	1.4
277.15939	1.2
286.19272	2.1
287.20102	8.7
299.20114	5.9
301.21762	2.2
311.20337	1.7
313.21707	2.5
327.23282	2.6
365.24783	4.7
391.26303	7.6
419.29520	3.7
427.28619	6.0
453.91064	1.5
461.58633	1.5
507.34738	7.3
519.34924	2.0
563.39337	1.5
581.39453	2.7
588.80316	1.4
599.40948	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1525
Annotation	Santarubin C
Peak:m/z	Relative Intensity
51.62495	0.8
53.03942	1.3
55.01870	1.5
55.05505	1.1
57.03439	1.1
67.05494	3.2
69.03424	3.6
69.07061	1.2
70.85372	1.3
70.85704	1.7
79.05480	3.6
81.03414	4.6
81.07072	4.6
85.02895	2.4
89.10667	0.9
91.05477	4.2
93.07046	10.9
95.04951	1.8
95.08607	1.6
97.02852	1.0
97.06527	1.0
97.10162	1.7
105.03410	8.3
105.07028	2.9
107.04971	3.2
107.08580	3.0
109.02896	1.3
109.10136	4.6
117.07039	1.2
119.05016	1.2
119.08599	1.9
121.06485	1.0
121.10134	11.1
123.04425	2.2
123.11678	1.4
127.03916	1.7
131.04900	1.2
131.08586	2.5
135.04433	1.4
137.05983	1.4
141.01877	1.1
147.04414	3.5
147.11668	1.0
149.09624	2.6
151.01651	1.1
153.01828	2.8
163.03874	6.1
163.11201	0.9
165.01825	14.9
167.06976	1.6
179.03302	1.4
181.05058	1.2
183.02890	5.1
189.01903	1.7
195.00584	4.5
207.02835	2.2
209.02232	0.9
225.04169	1.0
227.03229	1.1
267.08823	2.0
271.05927	5.4
289.07224	1.6
301.07098	9.1
301.10327	1.5
325.07147	3.6
367.08453	1.7
409.08972	1.9
437.15842	1.8
445.15015	1.8
567.12604	15.8
581.14063	10.6
599.15265	100.0
599.31525	3.5
624.42603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.8
60.76592	0.6
67.13797	0.7
69.03416	1.4
81.03409	1.3
82.99873	2.1
85.02921	3.4
89.00856	0.7
91.01759	0.7
94.94923	0.7
97.02843	1.3
98.97580	3.8
101.00208	0.9
101.00881	15.2
107.04951	0.7
109.02903	1.4
110.97582	0.8
113.00863	3.7
115.02442	1.6
116.98656	1.7
119.01930	26.7
123.04396	0.8
127.02432	2.7
127.03896	1.6
128.98581	0.8
129.03969	1.0
131.01929	9.6
133.03444	2.4
135.01447	0.6
137.02959	2.4
139.02431	1.4
143.01906	32.9
145.03462	9.0
146.99641	0.6
147.01440	1.1
150.04411	0.6
153.03961	0.7
155.01906	16.5
155.05508	0.8
157.03499	10.5
158.99667	1.4
159.01405	2.9
159.05014	1.2
161.02969	41.7
161.06586	0.9
163.04637	0.8
167.01904	10.0
168.99934	0.8
169.03467	4.6
171.05052	2.3
173.02975	22.0
173.06577	3.6
175.00879	1.8
175.04572	5.5
177.00854	1.2
177.02443	7.1
179.01865	4.4
181.03499	1.4
183.05089	1.6
184.04590	1.8
185.02975	33.9
185.06511	4.0
187.00896	2.2
187.03043	0.8
187.04524	4.6
187.08150	0.9
189.00740	1.0
189.06120	2.1
191.02402	0.8
191.03983	3.8
197.01253	1.2
197.02974	13.3
199.04587	2.2
201.00743	0.9
201.02539	0.8
201.06113	2.5
203.02287	1.2
203.04041	15.2
203.07674	1.5
205.01942	2.7
207.07191	1.5
208.04568	0.9
209.02995	1.1
213.06052	4.0
215.04001	7.8
217.02187	0.8
217.05614	1.8
219.01819	1.2
219.03542	5.5
219.07114	0.8
221.03073	1.0
221.05077	6.2
225.06151	0.8
227.04048	8.6
227.07571	0.8
229.01927	0.7
231.03596	0.9
231.07158	13.2
237.02774	1.1
239.04135	0.9
243.07201	2.3
245.05099	100.0
246.05299	1.1
249.04515	0.8
255.07208	4.0
257.05035	8.1
257.09045	0.8
259.06638	3.0
261.04565	2.9
263.06161	20.5
273.08224	7.5
275.00754	0.6
275.06189	11.1
275.09033	1.3
279.05768	4.9
285.08234	2.7
286.07672	1.0
287.06186	8.3
289.03912	1.7
291.09152	1.5
293.07224	2.8
299.06027	1.1
303.05737	1.4
303.09033	1.4
305.07205	12.8
307.05017	3.8
315.09283	6.2
317.07233	4.1
321.06851	5.5
321.10291	1.1
333.10309	3.6
335.08157	4.8
343.12662	0.6
345.10226	1.2
347.08102	2.6
351.11328	2.5
357.10309	1.4
365.05115	1.3
365.09357	15.0
375.11563	1.0
383.10086	0.6
407.10492	1.2
419.04376	1.0
425.11398	7.1
437.11343	2.2
441.10825	3.5
451.09332	3.4
469.10504	16.6
483.11951	1.4
495.15466	2.1
513.16785	5.3
581.15790	1.2
599.16473	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	599.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01863	1.3
61.64674	0.7
64.80281	0.7
69.03439	0.9
71.54072	1.1
79.05502	2.0
81.03419	0.9
84.41859	0.7
85.02908	3.6
87.96210	0.7
91.05452	0.7
95.04950	1.7
107.04958	100.0
109.02889	1.1
121.02893	1.9
121.06497	1.3
123.04396	1.0
131.04941	1.6
139.03835	0.9
147.04401	1.4
151.03853	1.7
163.03932	2.1
167.06963	0.9
171.04379	1.2
173.06038	1.1
175.03949	3.1
177.05519	1.1
179.03288	1.0
181.04985	1.3
187.03937	1.7
189.05550	1.3
191.03383	1.3
193.05043	2.7
199.03946	0.8
201.05446	1.8
205.04916	6.7
213.05432	1.6
215.03192	0.8
217.05011	3.8
219.06541	2.1
221.04485	1.4
223.05954	1.6
229.05023	2.0
231.06590	1.7
233.28542	0.8
235.06030	4.3
241.04971	1.9
243.06546	1.8
245.08257	0.8
247.05983	4.2
249.11273	1.9
255.06505	0.9
259.05981	7.3
271.06189	3.5
277.07129	1.8
283.06235	1.1
285.07541	1.4
289.07077	2.8
295.05914	1.2
299.09070	1.8
301.06934	4.2
311.09100	1.6
313.07047	3.2
317.10410	0.9
325.07111	2.5
329.10379	3.6
341.10303	4.0
343.08118	1.7
353.10178	6.1
355.08435	1.4
365.10190	4.1
369.56900	0.8
377.10239	1.6
383.11359	6.3
389.10236	1.8
395.11276	10.0
407.11154	5.9
413.12210	3.3
419.11246	5.8
425.12308	3.5
431.13416	10.7
437.12561	0.8
443.13104	3.3
449.12415	6.3
461.13135	4.6
467.13550	4.1
467.19452	0.8
473.12405	0.9
479.13400	3.0
485.14587	3.7
491.13702	1.5
497.14380	6.4
509.14343	2.9
527.15332	1.9
545.16754	2.5
572.67487	0.8
599.19910	3.5
619.74347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19521	0.8
52.77839	0.9
53.28672	0.9
55.01861	1.0
55.05516	11.7
57.03436	6.8
57.07080	1.6
65.03947	0.8
66.73931	0.8
67.05509	26.2
69.03422	1.1
69.07073	16.9
71.04972	1.1
71.55088	1.3
75.89705	0.8
79.05499	9.3
81.03410	4.3
81.06586	1.7
81.07055	28.8
83.04986	1.6
83.08611	6.1
85.02901	1.3
85.06551	1.3
91.05472	7.7
93.07056	11.0
95.08611	23.0
97.06546	1.1
97.10176	3.8
98.98474	10.4
99.04436	1.0
105.07034	3.6
107.08611	5.6
109.02877	3.6
109.10165	8.3
109.16608	0.9
111.08067	1.0
119.08585	3.8
121.10152	5.0
123.08002	0.9
123.11687	3.3
129.07141	0.9
133.10130	2.7
135.11708	2.5
135.21956	1.0
137.13272	1.2
147.11684	2.0
149.13261	1.1
155.01056	3.3
161.13286	1.4
162.03134	0.9
163.14838	1.0
204.65323	0.8
210.69168	0.9
261.03702	2.3
262.22260	1.4
263.23776	2.1
301.20218	1.7
303.78619	1.0
337.27377	100.0
596.60779	1.4
597.11621	1.7
597.40106	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1605
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
58.92161	0.1
63.30048	0.1
65.03944	0.2
67.01857	0.5
68.99777	0.6
69.03411	0.4
69.07022	0.1
69.22422	1.1
79.05495	0.2
81.03400	0.3
81.07047	0.3
85.02896	0.3
91.05482	1.0
93.07018	0.3
95.04953	0.3
95.08593	0.2
98.21463	0.2
103.05430	0.2
105.03398	2.2
105.06986	0.3
107.04945	0.4
107.08590	0.3
109.02857	0.2
111.00823	0.1
119.04947	2.8
119.08531	0.1
120.05274	0.3
121.02879	0.5
121.06490	0.1
123.04414	0.3
125.06039	0.1
127.03873	0.3
129.01871	0.1
131.04904	0.2
133.06479	0.1
135.04466	0.1
137.05972	0.2
145.02847	0.5
147.03235	0.3
147.04408	5.3
148.04741	2.1
149.04977	0.5
151.03961	0.2
153.01830	5.1
153.05391	0.1
154.02191	0.2
155.02272	0.1
161.06000	0.3
163.03906	0.5
165.05394	0.2
167.07080	1.0
171.02867	0.5
175.07570	0.2
187.04034	0.2
187.07549	0.4
191.07062	0.4
203.07013	0.2
209.08281	0.1
221.09804	0.1
225.05498	0.1
229.04968	0.2
237.08949	0.1
243.06496	0.3
249.09392	0.1
251.10730	0.1
265.08743	0.1
271.06009	100.0
272.06299	0.6
287.05511	6.1
288.05838	6.1
289.06046	5.9
307.09500	0.2
309.09772	0.2
339.12210	1.4
341.13892	0.3
351.12180	0.3
353.13672	0.2
413.10745	0.2
570.20190	0.1
579.14807	0.2
597.15009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1609
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.03945	0.3
55.01870	0.3
55.05515	0.2
56.96580	0.3
57.03418	0.2
60.15199	0.2
60.95773	0.2
61.17238	0.2
64.77711	0.2
65.03937	0.9
67.05494	0.5
67.22066	0.1
67.32320	0.2
67.48483	0.2
69.03425	0.8
69.07059	0.3
71.04989	0.3
73.02930	0.3
79.05492	0.5
81.03424	3.4
81.07078	1.3
83.04903	0.3
85.02907	1.7
85.06562	0.3
89.03882	0.2
91.05486	9.8
93.07063	1.0
95.04961	0.6
95.08601	0.8
97.02908	0.7
97.06532	0.4
97.10131	0.2
99.04445	0.5
103.05447	0.5
105.03386	0.5
105.04523	0.2
105.07050	0.9
107.04961	0.7
107.08582	0.8
109.02872	1.3
109.06538	0.2
109.10152	0.6
111.08084	0.3
115.05434	0.3
119.04948	22.6
119.08576	0.4
121.02855	0.2
121.06509	0.5
121.10162	0.4
123.04423	0.5
123.11715	0.3
126.08004	0.2
127.03928	0.7
131.04910	1.0
132.05737	0.2
133.06453	0.3
133.10144	0.2
135.04417	0.5
135.11665	0.3
137.05989	0.5
137.09554	0.3
139.03961	0.2
142.17174	0.2
143.08562	0.2
145.06490	0.4
145.10204	0.2
147.04416	100.0
148.04735	1.0
149.05998	0.4
149.09518	0.2
150.35838	0.2
151.11200	0.2
153.01804	1.7
160.05110	0.2
161.06012	0.8
163.03937	1.2
163.07545	0.3
163.11238	0.3
164.04393	0.2
165.01819	0.3
165.05490	4.8
167.07077	1.3
171.02930	0.4
175.07593	0.2
177.01941	0.2
177.05499	0.4
179.03421	0.3
179.07014	0.3
181.04910	1.0
183.02979	0.2
187.07463	0.2
189.05562	0.2
191.07051	0.8
192.07936	0.4
195.02867	2.9
203.07042	0.2
205.01335	0.3
205.05029	0.3
208.07321	0.6
209.07925	0.2
215.03558	0.2
217.12335	0.3
221.08174	0.7
223.17102	0.2
235.13217	0.4
253.14548	0.3
257.04391	0.3
261.03918	0.4
271.06110	1.2
273.31360	0.2
287.05511	4.8
288.05859	3.9
289.06180	3.6
291.08664	4.0
307.09488	0.2
309.09714	3.1
310.10022	0.2
331.08099	0.9
339.12408	0.3
379.08176	0.3
393.09772	0.2
397.09186	0.4
418.16251	2.0
597.19739	0.5
597.28894	0.8
600.78131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83660	0.2
61.02917	0.4
61.27707	0.2
65.03938	0.6
69.03086	0.3
69.03429	4.1
70.75098	0.6
81.03398	0.2
81.07027	0.2
85.02908	1.2
91.05476	5.2
97.02885	0.7
107.04989	0.3
109.02835	0.5
115.40898	0.2
119.04946	12.3
120.24861	0.2
121.10134	0.3
123.04443	0.2
127.03908	2.8
147.04413	100.0
148.04752	0.5
165.05458	3.0
237.09120	0.6
254.33936	0.3
287.05240	0.2
291.08627	4.1
303.77191	0.2
309.09686	15.7
322.13339	0.2
453.13867	0.2
471.14960	6.7
596.33228	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01850	1.7
55.05512	10.4
57.03437	3.3
57.07078	2.6
65.03942	1.9
67.05507	59.0
67.80148	1.4
69.03439	1.5
69.07069	12.2
70.81996	3.2
70.82323	1.3
71.04991	3.1
72.35493	1.5
75.04452	1.6
79.05068	2.6
79.05496	38.7
81.03408	1.9
81.07063	72.9
83.04989	2.2
83.08613	6.9
85.02884	2.1
85.06536	3.8
91.05484	18.2
92.31222	1.3
93.06483	3.0
93.07049	52.4
95.04991	2.4
95.08613	50.3
96.07747	1.5
97.06526	3.3
97.10146	2.6
99.04440	2.2
99.08084	3.3
104.10746	2.4
105.07039	17.5
107.08592	38.4
109.02883	4.0
109.10159	30.7
110.03650	3.8
111.08085	2.6
113.09640	1.6
117.07009	7.6
119.08593	15.9
121.10144	36.0
123.08064	1.6
123.11725	14.4
127.03905	3.9
131.08559	20.4
133.10138	14.0
135.10713	1.6
135.11705	25.9
137.09628	2.4
137.13237	6.5
139.11201	1.9
145.10141	15.5
147.11697	13.1
149.13266	21.0
151.11218	3.0
151.14828	2.4
159.11688	14.1
161.13271	12.6
162.79245	1.4
163.14835	16.6
165.12764	2.6
173.11946	1.7
173.13289	17.4
175.14868	3.1
177.12802	2.2
177.16344	7.1
179.14389	3.0
187.14806	8.6
191.00031	2.8
201.16420	2.8
205.15829	1.7
215.18098	1.5
233.22675	2.1
243.21098	38.5
255.46471	1.5
261.22159	100.0
262.22406	1.6
263.23767	2.1
279.23270	4.6
335.25836	18.9
353.26883	45.8
369.24213	2.7
451.21411	1.7
505.05920	1.5
561.27087	5.9
616.75592	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.05513	13.8
57.03436	6.7
57.07080	4.0
65.03938	3.8
67.05177	4.2
67.05507	62.4
69.07072	8.2
69.25991	8.7
69.26415	12.4
71.05000	15.7
79.05499	34.1
81.07059	79.5
83.04984	4.0
83.08617	9.2
85.06550	5.0
91.05489	25.2
93.07040	36.7
95.04946	3.4
95.08602	28.1
97.06554	2.9
97.10121	2.8
103.01630	2.1
105.07026	14.8
107.08608	21.0
109.06544	2.3
109.10154	10.6
111.08079	3.8
119.08596	6.5
121.10150	15.1
123.11709	13.9
131.08607	5.0
133.10135	14.9
134.83150	2.1
135.11728	7.4
147.11723	3.3
149.13286	5.4
151.11192	5.1
159.11728	3.8
261.22223	4.4
269.17447	5.0
301.20056	13.5
311.29364	3.2
335.25815	40.1
461.74042	2.2
503.37344	100.0
529.39014	3.9
537.30225	2.3
561.41614	48.2
596.28442	2.9
596.38153	4.9
596.47681	4.8
596.59473	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	597.1609
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
51.02382	0.3
53.03944	0.5
55.01865	0.3
55.05498	0.5
56.76252	0.2
57.03431	0.3
57.07062	0.2
65.03927	1.6
67.01826	0.3
67.05509	1.2
69.03436	1.2
69.07064	0.6
69.87843	0.7
69.88257	0.5
70.36266	0.2
71.04968	0.5
77.03951	0.3
79.05482	1.4
81.03407	2.3
81.07066	1.5
82.34276	0.2
82.83365	0.3
83.04953	0.4
85.02908	1.1
85.06545	0.3
91.05484	12.7
93.07054	2.3
95.04971	0.7
95.08589	1.3
97.02888	0.7
97.06512	0.4
97.10156	0.3
98.20731	0.3
99.04466	0.4
103.05466	1.7
104.05727	0.2
104.72385	0.3
105.03394	2.0
105.07071	1.1
107.04973	1.2
107.08578	0.9
109.02892	1.1
109.10162	0.6
111.04495	0.3
117.03341	0.2
117.07024	0.3
119.04945	25.5
119.08588	0.7
121.02895	0.3
121.06561	0.5
121.10151	1.9
123.04434	0.8
127.03928	0.7
131.04926	4.7
131.08539	0.5
132.05260	0.4
133.10132	0.7
135.04391	0.5
135.11685	0.7
137.05995	1.3
139.03934	0.3
139.11205	0.3
145.02840	0.4
145.10092	0.3
147.04413	100.0
148.04756	0.9
149.09634	1.0
149.13234	0.3
151.03909	0.4
153.01831	3.9
157.10191	0.2
159.11719	0.4
163.03922	2.6
163.07539	0.4
163.11208	0.2
165.01759	0.5
165.05487	1.2
167.07056	1.3
167.26688	0.3
171.02927	0.3
177.01851	0.3
177.05598	0.4
179.03374	0.4
181.04916	0.7
191.07083	0.9
195.02895	4.1
205.01369	0.5
217.19511	0.2
219.02989	0.3
239.95097	0.2
253.21837	0.3
257.04492	0.8
261.03830	0.5
267.08716	0.5
271.06039	0.6
271.22748	0.3
287.02255	0.4
287.05484	6.1
288.05988	0.4
289.07086	4.4
291.08582	1.6
303.05054	0.6
304.05356	0.8
305.05630	0.7
309.09729	0.9
313.07019	0.3
331.08130	1.3
355.08340	0.3
359.12921	0.3
379.08417	0.3
393.09650	0.3
397.08774	0.4
415.21454	0.3
417.22610	0.3
465.12067	0.9
495.23639	0.3
555.61377	0.2
597.19403	0.6
597.31140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03447	0.5
67.01830	0.3
68.99781	0.3
69.03417	0.2
69.98732	0.4
71.04994	3.7
76.30759	0.1
83.04963	0.1
85.02903	4.1
89.03896	0.1
98.97546	0.1
107.04918	0.4
111.04403	0.2
116.01675	0.1
117.03387	0.1
123.04423	0.1
129.05489	0.9
135.03532	0.1
135.04420	1.2
137.02338	0.3
139.03819	0.1
147.06400	0.1
153.01834	3.4
161.02318	0.4
171.02849	0.3
174.23914	0.1
179.03371	0.3
203.03476	0.1
219.06563	0.1
229.34044	0.1
233.08330	0.1
241.04985	0.5
245.04561	0.2
263.05692	0.1
269.04382	0.2
280.97656	0.1
287.05490	100.0
288.05801	0.7
449.10815	16.9
453.83307	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	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42967	0.6
51.72761	0.6
53.03955	1.5
55.05269	0.8
55.05513	8.7
55.57689	0.6
57.03447	7.7
57.07076	0.8
65.03922	1.8
66.76467	0.6
67.05505	28.5
69.03411	0.9
69.06789	0.6
69.07073	6.8
69.80994	2.1
69.81402	1.5
78.22858	0.6
79.05069	1.0
79.05498	15.1
81.03418	3.4
81.07059	26.2
81.52373	0.6
83.04967	1.0
83.08591	2.1
85.02888	1.0
91.05483	7.5
93.07047	17.8
93.07627	1.2
95.04950	0.9
95.08609	19.7
97.06496	1.0
97.10167	0.8
98.20769	0.7
98.98469	10.0
105.07040	4.4
107.08591	9.2
109.02857	3.2
109.06535	0.8
109.10159	8.3
110.96515	0.7
117.07053	1.1
119.08604	3.7
121.10145	6.1
123.11691	2.7
127.03896	0.9
131.08562	2.5
133.10135	2.7
135.11661	3.7
137.13246	0.9
145.10118	2.1
147.11649	1.8
149.13260	1.7
155.01022	2.4
159.11699	1.2
161.13197	1.2
163.14946	0.7
173.02097	0.7
173.13271	0.6
175.14844	0.7
187.14838	1.3
243.21254	0.8
261.03668	3.2
261.22256	2.3
263.31631	0.6
330.91498	0.7
335.07797	1.2
335.25809	100.0
336.26181	0.9
441.83182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22387	1.1
53.02252	1.1
53.03939	3.7
55.01863	1.2
55.05516	6.5
56.96558	1.6
57.03434	1.4
58.18272	0.9
63.65252	0.9
65.03941	1.3
67.05518	6.5
69.03432	4.2
69.07074	6.5
69.25134	2.3
69.25542	6.8
71.04987	2.8
73.17498	0.9
79.05495	6.1
79.05872	0.9
81.03432	9.0
81.07063	22.6
83.04971	1.9
83.08633	2.6
85.02905	3.0
87.06250	1.0
89.03918	4.0
91.05482	5.9
93.07050	10.3
95.04953	5.5
95.08611	12.4
97.02888	2.4
97.06509	1.7
97.10175	3.5
98.97605	1.4
99.04488	1.0
103.05497	1.1
105.03403	32.1
105.07028	7.0
107.04970	2.0
107.08598	12.5
107.12250	0.9
109.02901	7.0
109.06482	1.4
109.10158	9.2
111.04445	1.5
111.08075	2.4
117.03393	13.4
117.07053	1.0
119.08579	9.8
121.06509	1.1
121.10136	5.7
123.04443	4.5
123.11723	5.1
125.09602	1.7
127.03905	6.6
127.11178	2.4
131.04941	3.4
131.08562	2.4
133.10141	5.6
134.03651	1.6
135.11694	12.9
137.05977	1.6
137.09615	1.7
139.03911	2.9
139.11176	2.0
143.10693	2.6
145.02853	37.8
145.10117	2.8
147.04407	5.1
147.08067	2.1
147.11670	5.0
149.06036	6.4
149.13280	3.6
151.03964	1.2
151.11220	1.5
159.11739	1.5
161.13258	2.8
163.03920	1.3
163.11156	2.8
163.14807	1.7
165.09148	1.0
165.12727	1.5
173.13248	1.3
175.14774	1.2
177.05479	100.0
177.12822	1.2
179.08331	1.0
181.04675	7.6
186.05617	1.6
195.06526	2.2
203.18002	4.6
219.01924	1.0
221.18919	5.9
271.06018	3.3
287.05569	4.1
291.08655	1.7
295.26401	0.9
304.23788	1.1
305.24710	1.8
321.09814	3.1
323.25763	1.0
331.07959	5.2
339.10767	9.6
413.27103	1.6
415.28497	1.2
431.28116	2.5
449.29031	2.2
455.12482	1.5
467.30164	2.6
595.08270	2.2
595.17859	39.8
595.28162	3.6
595.31763	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
55.01878	1.9
57.03418	3.9
61.02926	1.9
65.17455	1.4
70.61054	4.0
73.02895	1.7
85.02911	6.8
93.03418	2.2
97.02896	2.2
103.03920	2.5
110.66373	1.5
119.04964	6.6
121.02869	34.6
121.74969	1.7
145.02838	5.1
163.03957	4.2
165.01886	1.5
175.03888	1.7
177.01895	4.3
179.03418	2.9
189.01834	10.1
191.03455	5.0
192.95653	1.7
195.02913	4.6
201.01913	1.8
201.05528	2.9
203.03320	11.7
205.04993	2.8
207.02878	9.5
213.05377	1.8
215.03470	2.1
217.04979	5.8
219.02872	5.9
221.04492	1.9
227.03406	2.5
229.04927	4.8
231.02930	1.8
241.05089	1.6
243.03044	1.8
253.04666	2.2
255.02876	2.7
257.04538	2.9
267.06686	3.0
268.07312	5.1
279.06693	7.0
281.08121	4.4
283.06000	8.1
285.03857	2.1
293.08081	3.4
294.05258	21.7
294.08438	1.8
295.06015	87.0
296.06714	8.4
297.07608	9.8
304.07388	2.1
305.08188	3.3
307.06000	52.7
308.06741	17.4
309.03986	2.2
309.07443	12.8
313.07059	5.5
319.06018	6.8
320.06644	3.3
321.07571	30.5
322.04849	2.3
322.08252	11.2
323.05566	3.9
323.09250	5.4
325.07068	100.0
333.07535	10.8
334.08163	2.1
335.05356	1.7
335.09088	16.4
336.06241	2.6
337.07062	56.8
337.10791	2.6
339.08636	2.6
345.07596	3.8
347.09180	13.0
349.07077	33.2
349.11346	2.2
351.04990	1.3
351.08667	26.0
355.08102	18.4
357.07648	3.6
359.09280	1.5
361.07013	16.3
361.10803	2.3
363.08585	6.2
365.06503	2.6
365.10281	13.2
367.08124	5.0
373.06927	7.1
375.08777	10.8
379.08139	51.8
385.06833	3.5
387.08264	1.9
389.10217	4.1
391.08148	34.0
401.10287	4.3
403.08109	27.9
405.09518	1.8
409.09195	37.9
415.08179	3.0
417.09320	2.9
421.09146	24.7
427.10339	33.8
433.09088	3.6
439.10272	30.7
440.23877	1.7
445.10425	5.6
457.11295	94.5
458.11676	1.8
463.10229	5.8
475.12460	22.5
481.11215	25.6
487.10611	1.9
493.10965	2.5
499.12283	21.6
505.11325	4.3
511.12347	26.7
523.12280	27.1
529.13501	11.1
541.13477	29.0
559.14526	29.3
577.15594	14.1
595.16211	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	595.1662
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01864	0.3
57.03431	1.3
61.02930	0.5
67.16182	0.2
68.99768	0.4
69.03427	1.0
69.87233	1.0
71.01360	0.2
71.04998	8.5
73.02915	0.4
74.36760	0.2
79.05479	0.3
81.03411	0.4
83.04967	0.5
85.02908	13.7
87.04455	0.3
87.67545	0.2
88.53906	0.2
91.03939	0.2
97.02906	1.1
98.21435	0.2
102.05956	0.2
105.29117	0.2
107.05001	0.9
109.02885	0.4
111.00813	0.6
111.04485	0.3
111.23314	0.2
121.02860	1.4
127.03931	1.0
129.05481	2.8
129.06967	0.2
133.02821	0.6
137.02333	0.5
145.05008	1.1
145.06348	0.2
147.04410	0.3
147.06509	0.9
153.01839	2.2
157.06439	0.2
165.01837	1.2
165.07117	0.2
183.02927	0.5
185.05940	0.3
213.05490	1.0
216.32994	0.2
221.52475	0.2
231.06529	0.5
241.04961	0.7
258.05191	0.8
259.06033	0.3
287.05508	100.0
288.05707	0.6
400.41223	0.2
449.10910	0.4
595.21802	1.3
595.30591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
55.01871	2.3
65.03928	1.6
67.05509	1.5
67.38026	0.8
68.99791	8.8
70.24522	2.8
76.87892	0.7
77.03920	1.2
81.03407	2.9
91.05492	1.4
93.03410	1.0
93.62754	0.8
95.04963	2.0
99.04455	1.0
102.00523	0.7
105.03381	2.0
107.04965	1.1
109.02858	2.5
111.00803	6.3
111.04413	2.0
119.04923	2.6
120.16225	0.7
121.02876	2.4
123.03745	0.9
123.04433	39.6
127.03922	91.0
133.02861	1.7
135.04433	2.0
137.02322	1.1
137.06032	1.1
139.03908	100.0
143.04913	1.0
145.06514	0.8
147.04405	12.2
149.02333	2.8
149.05922	1.0
149.78383	0.7
151.03912	31.9
151.05136	1.6
153.01758	1.3
155.03381	1.6
155.04883	0.7
157.06548	1.2
159.04437	2.0
161.05962	2.8
163.03935	9.3
165.05508	9.3
167.03419	7.4
171.04434	3.0
173.05971	1.1
175.03917	17.8
177.05476	7.7
179.01833	1.7
179.03403	33.8
181.04962	2.7
183.04460	1.1
185.05974	2.2
187.03949	1.6
189.05460	4.3
191.03377	18.3
193.04987	6.5
197.05879	1.2
199.04010	1.2
201.05446	5.2
203.03397	25.0
205.05014	3.3
207.06526	1.1
211.04001	0.7
213.05475	7.2
215.03398	1.8
215.07117	0.9
217.04984	6.6
225.03528	0.8
227.03430	1.2
229.04955	7.9
231.06523	5.9
233.04408	10.9
241.04942	4.1
243.06581	1.1
245.04498	14.7
247.06064	2.4
251.05528	2.2
253.05107	1.3
257.04459	25.5
258.05228	0.9
259.06064	3.8
263.05472	14.8
269.04413	6.2
271.05960	4.8
275.05502	39.8
281.04453	1.9
283.06015	0.8
287.05511	60.8
291.08633	14.0
299.05505	22.6
299.08994	1.0
301.07318	0.8
303.08545	3.5
305.06561	11.9
311.05450	2.6
317.06586	24.5
317.10178	1.7
329.06714	1.1
333.09805	1.3
374.20117	0.9
379.07941	0.8
391.08023	1.3
407.07245	0.8
409.09192	13.1
425.08679	25.2
426.08875	0.9
427.10278	5.4
440.73190	0.8
443.09778	11.1
451.10309	2.4
455.09485	1.4
616.04706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1449
Annotation	Kaempferol-3-Glucoside-2''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03949	0.1
61.30786	0.1
64.23284	0.1
65.03938	0.3
67.01868	0.4
68.99802	0.6
69.03433	0.3
79.05475	0.1
81.03416	1.3
84.33695	0.1
85.02895	0.2
89.03905	0.1
89.93303	0.1
91.05479	2.8
97.02887	0.2
102.19504	0.1
105.03419	0.4
107.04991	0.2
109.02871	0.4
111.00843	0.1
111.04471	0.2
117.03375	0.2
119.04944	6.8
123.04459	0.1
127.03930	0.2
129.01875	0.1
135.04416	1.7
137.02341	0.8
142.30179	0.1
147.04413	35.5
148.04858	0.3
153.01839	6.0
161.02344	1.1
165.05457	0.6
167.07034	0.3
171.02866	0.8
179.03441	0.5
181.04987	0.2
203.03360	0.2
213.05540	0.2
219.06476	0.3
241.05008	0.9
245.04448	0.3
263.05542	0.1
269.04468	0.4
271.05933	0.2
287.05502	100.0
288.05704	0.6
291.08646	2.3
309.09766	1.1
329.06442	0.2
333.78659	0.1
405.84644	0.1
416.14682	0.3
443.21881	0.1
449.10831	0.3
595.13977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.1
55.01856	2.3
65.03922	2.0
67.05496	1.2
68.99785	6.2
69.03378	1.2
81.03420	2.1
85.02895	3.8
91.05475	2.5
95.04962	2.5
98.97560	1.3
105.03387	2.6
107.04942	3.9
109.02853	4.6
111.00819	5.2
111.04425	2.0
115.05477	1.3
119.04942	6.5
121.02875	6.7
123.04432	72.3
127.03918	42.1
133.02820	2.6
135.04413	5.0
137.02350	2.4
137.05988	1.7
139.03906	87.0
145.02898	2.3
145.06447	1.3
147.03232	1.4
147.04410	23.6
149.02354	3.2
149.05852	1.6
151.03909	29.8
155.03374	4.3
155.04642	1.0
157.06534	1.4
158.93980	1.2
159.04468	2.2
161.05978	5.5
163.03899	16.1
164.04211	1.4
165.05489	13.5
167.03407	2.6
167.07024	1.7
171.04369	3.4
173.06032	1.6
175.03876	11.4
177.01842	1.3
177.05429	4.7
179.01825	2.0
179.03403	42.4
181.04961	5.4
185.05995	2.0
187.03906	2.5
189.05511	8.1
191.03400	11.2
193.04976	10.8
197.06039	1.8
199.04070	2.3
201.05470	5.1
203.03401	29.6
205.05026	2.7
207.06522	3.5
213.05472	7.6
215.03391	2.6
217.04970	10.2
221.04475	1.6
225.05551	1.6
227.03476	1.3
229.04997	10.6
231.06557	5.4
233.04434	5.7
241.05074	5.7
243.06435	2.3
245.04459	28.0
247.05956	1.9
248.82227	1.3
257.04456	31.3
258.05231	2.7
259.06003	4.6
263.05493	14.0
269.04379	5.1
271.05957	6.6
273.07678	3.2
275.02576	1.9
275.05496	25.7
277.06998	1.3
281.04443	2.8
283.06015	1.8
285.03845	1.5
287.05508	100.0
288.05768	1.5
291.08633	18.7
294.05096	2.6
295.06012	10.0
297.07632	1.4
299.05490	25.6
301.07040	1.9
303.08453	1.3
305.06473	10.4
307.05988	6.6
308.06799	2.5
309.07471	1.8
311.05579	2.1
313.07031	1.2
317.06512	22.6
321.07599	3.2
322.08508	1.6
325.07120	10.9
329.06522	1.8
333.09763	2.2
335.09009	2.2
337.06937	8.0
347.09039	1.2
349.06976	3.7
351.08603	1.2
355.08224	2.0
361.07004	2.3
365.10269	1.5
373.07275	1.5
379.08176	5.6
391.08371	5.2
403.08176	2.5
409.09174	38.7
415.07367	1.3
421.09009	4.5
425.08691	22.3
427.10233	12.4
433.09201	3.3
439.10162	6.2
443.09763	5.1
451.10162	14.6
457.11420	11.3
469.11359	5.2
475.12268	1.9
481.11292	3.3
499.11996	2.4
511.12039	2.9
523.12372	2.2
529.12823	1.0
541.13385	2.5
559.14044	3.3
595.15729	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	595.145
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
53.03935	0.2
55.01876	0.1
55.05516	0.5
57.07063	0.1
61.36734	0.1
65.03939	0.2
67.01865	0.5
67.05511	0.5
67.11301	0.1
68.99474	0.1
68.99787	0.5
69.03436	0.7
69.07081	0.7
70.77721	0.3
71.04980	0.1
79.05482	0.6
81.03426	0.8
81.07057	1.6
83.04979	0.1
83.08599	0.2
85.02924	0.5
85.06523	0.3
89.03907	0.2
91.05474	1.0
93.07040	0.8
95.04966	0.4
95.08602	1.0
97.02895	1.1
97.06520	0.2
97.10152	0.4
99.04440	0.2
100.11227	0.1
105.03387	0.4
105.07031	0.6
107.04966	0.5
107.08584	0.7
109.02848	0.5
109.06504	0.2
109.10160	0.6
111.04459	0.2
111.08061	0.3
117.03352	0.3
118.15617	0.1
119.04942	1.5
119.08566	0.4
121.10142	0.3
123.04404	0.4
123.08060	0.2
123.11694	0.7
125.09643	0.2
127.03911	0.8
129.01816	0.1
131.04922	0.3
133.06525	0.1
133.10141	0.3
135.04431	1.7
135.11711	0.3
137.02338	0.5
137.06007	0.1
137.13266	0.2
139.03900	0.4
139.11131	0.3
145.04926	0.1
145.06444	0.2
145.10124	0.3
147.04411	10.8
147.11687	0.3
148.04826	0.1
149.09625	0.1
149.13257	0.3
151.03897	0.1
151.11182	0.1
153.01831	6.1
153.05408	0.1
159.11699	0.2
161.02301	0.4
161.06055	0.1
161.09637	0.1
161.13255	0.2
163.03888	0.3
163.11157	0.2
163.14862	0.1
165.05519	0.6
165.09137	0.1
167.07042	0.3
171.02888	0.5
173.13223	0.2
175.14807	0.1
177.05452	0.2
179.03406	0.5
181.05008	0.1
189.05408	0.1
203.03368	0.2
213.05441	0.2
231.06462	0.2
241.04926	0.5
251.34161	0.1
259.06122	0.1
263.05444	0.2
269.04434	0.5
271.06097	0.7
287.05490	100.0
288.05804	0.7
291.08655	0.4
303.23108	0.3
305.24823	0.3
309.09677	2.5
321.24179	0.2
323.25653	0.1
339.12250	0.1
371.44989	0.1
447.27383	0.2
449.28708	0.2
465.28488	0.2
467.30121	0.2
483.29758	0.1
491.80310	0.1
595.23749	0.2
595.31372	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	595.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.2
56.96577	3.9
57.03444	1.6
65.03951	1.5
66.27433	1.1
67.05521	1.4
68.99793	9.1
69.03426	6.7
69.30553	1.2
71.04993	1.1
71.54112	1.6
72.42619	1.2
73.02921	2.2
77.03970	1.2
81.03416	5.5
83.01350	1.2
84.96049	1.5
85.02907	15.0
91.05496	1.6
95.04967	2.2
97.02894	6.7
98.97593	13.0
99.04471	1.5
101.10160	1.2
105.03409	1.4
107.04988	3.5
108.79822	1.1
109.02908	4.5
110.97597	1.9
111.00823	6.7
111.04482	1.9
116.98648	3.4
119.01943	3.1
119.04919	2.0
121.02879	3.0
123.04439	42.0
127.03924	98.1
128.98618	3.1
131.01936	2.6
131.04926	2.2
133.02794	2.4
135.04413	10.0
137.02364	1.6
137.05980	8.8
139.03911	100.0
140.00276	1.5
143.00194	1.6
143.01932	4.3
145.03481	2.1
145.05019	4.7
147.04428	12.3
149.02361	4.2
151.03918	30.5
153.01889	1.6
155.01881	3.7
157.01794	1.4
158.99681	3.3
159.04451	1.5
160.51445	1.1
161.01216	1.3
161.02974	2.4
161.06070	3.3
163.03917	15.2
165.05473	6.1
167.02069	2.4
167.03439	7.2
169.03546	1.3
169.05054	1.8
170.99684	3.6
173.03000	5.3
173.06064	2.1
175.02505	1.7
175.03900	11.2
177.00749	3.1
177.05501	5.4
179.01884	2.1
179.03412	30.3
181.05057	2.8
182.99669	1.7
185.01398	1.3
185.03036	3.2
185.06023	2.3
185.30504	1.2
187.04031	2.2
189.05513	6.0
191.03442	18.7
193.04944	6.7
197.03098	1.6
199.00700	1.1
199.04094	2.7
200.04488	2.2
201.00786	3.3
201.05571	4.5
203.03423	24.4
203.07101	1.4
205.05049	2.6
213.05559	4.8
215.03632	1.5
215.07001	1.5
217.05104	4.3
219.01700	6.9
221.05045	7.0
229.04976	10.0
231.06601	4.8
233.04532	9.8
235.02640	1.7
237.02812	5.4
237.09843	1.3
239.80733	1.2
241.05035	3.5
243.06529	1.8
245.04637	19.1
247.06041	11.3
251.05461	2.8
253.08554	2.3
255.06717	1.2
257.04471	23.5
258.05212	2.5
259.06152	4.0
261.02991	3.2
263.05557	16.0
269.04510	5.7
271.05978	7.7
272.06540	2.4
273.08115	4.6
275.05518	37.3
279.03952	3.2
279.89618	1.4
281.07114	4.9
282.99725	1.8
283.06174	3.3
287.05508	68.1
289.07132	4.0
291.08685	9.4
298.11240	1.2
299.05499	19.8
301.00818	3.9
301.07077	3.2
303.08661	3.1
305.06750	11.5
307.08444	1.9
317.06604	20.6
334.11511	1.6
365.09335	1.9
373.04691	1.5
389.03806	6.1
409.09286	13.3
415.05289	2.2
425.08633	21.2
427.10428	6.4
433.08554	1.5
437.08646	1.7
443.09726	9.8
451.09979	3.3
455.09943	1.5
457.12503	1.3
595.18176	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25483	2.5
55.01865	7.2
55.05511	23.8
57.03440	12.7
65.03935	4.0
67.05508	28.6
69.03426	4.3
69.07080	6.8
71.05006	6.5
71.55174	4.4
79.05502	25.1
81.03425	63.8
81.07063	24.9
83.04979	6.3
83.08630	17.2
85.02916	4.0
87.31836	2.7
89.32795	2.4
91.05479	25.3
93.07063	24.0
95.04973	26.2
95.08632	14.9
97.06545	4.8
97.10185	19.4
98.79556	2.5
105.07045	18.8
107.04963	21.8
107.08590	15.0
109.06532	9.8
109.10152	7.4
111.08118	5.8
115.05468	3.6
117.07049	7.7
119.08599	17.4
120.51627	2.5
121.06496	13.6
121.10145	11.0
123.08077	7.3
125.09618	16.1
129.07037	7.7
129.47691	2.5
131.08556	14.5
133.06532	3.1
133.10139	8.5
135.08043	5.2
135.11688	5.1
141.06981	3.2
142.07854	3.9
145.06464	8.0
145.10136	6.0
147.04413	3.5
147.08087	4.2
147.11702	8.4
149.09666	6.2
149.40747	2.9
155.08548	2.9
157.08926	2.4
157.10156	10.0
159.11716	4.6
163.11189	3.9
171.07991	3.1
175.11194	7.4
189.11198	6.5
189.12727	3.0
193.12241	13.5
213.12973	3.1
214.18076	6.8
219.13730	3.3
233.15372	4.5
241.14420	4.0
252.02336	2.6
255.13791	3.2
267.15939	37.6
273.14847	7.6
328.85931	2.8
348.29443	2.4
349.21521	5.1
367.22729	21.8
384.92584	2.8
385.23795	28.7
403.24692	12.8
441.26462	10.0
459.21207	5.5
459.27432	100.0
477.28513	87.8
491.30133	14.8
509.31116	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01870	6.8
55.05518	31.7
56.87780	4.1
56.96576	4.0
57.03428	5.4
57.07079	6.1
67.05509	34.4
69.03421	24.6
69.07072	35.8
69.18539	41.2
71.04987	8.8
73.06534	6.6
76.30885	4.2
79.05502	28.7
81.03421	29.1
81.07060	84.0
81.49657	3.9
83.04953	7.6
83.08613	13.2
85.02900	14.6
85.06546	7.0
91.05470	34.3
93.07044	55.3
95.04956	17.9
95.08618	57.7
97.02882	8.5
97.06529	17.5
97.10170	35.0
98.20632	7.1
99.04460	6.0
99.08068	6.8
103.04757	4.5
103.05468	11.3
105.03345	7.4
105.07034	47.4
107.04955	7.5
107.08584	48.0
109.02880	18.0
109.06490	9.6
109.10168	39.3
111.04411	6.7
111.08070	9.4
117.03397	9.7
117.06989	7.2
119.04874	5.1
119.08573	30.9
121.06490	8.0
121.10128	34.3
122.90763	4.6
123.04408	12.2
123.08079	9.9
123.11720	29.0
125.09633	13.6
127.03900	20.2
130.07814	4.8
131.04918	22.2
131.08556	14.7
133.10161	29.2
135.04379	6.5
135.08054	7.7
135.11723	24.0
137.09634	6.9
137.13239	7.8
139.03922	9.8
139.11194	7.6
143.08571	5.2
143.10698	10.1
145.02898	37.1
145.10126	15.7
147.03329	4.7
147.04384	9.4
147.11653	24.6
149.09599	6.4
149.13326	22.4
151.03963	7.0
151.11188	6.7
153.12740	7.0
154.54968	4.5
157.10089	4.7
159.11665	13.6
161.13264	12.5
163.03882	7.1
163.11168	6.9
163.14871	7.1
165.12808	4.6
173.09589	6.5
173.13144	6.9
175.11122	5.8
175.14861	6.2
177.05479	100.0
179.03282	15.3
193.90756	4.7
263.05457	5.8
275.20160	7.0
287.05524	7.2
291.19733	5.1
303.23065	14.4
305.24658	15.0
321.24225	9.0
339.10703	6.8
349.23920	6.1
413.26474	10.2
429.26480	9.7
431.28052	9.1
437.28894	5.1
447.27393	12.1
449.28998	19.8
465.28214	18.9
467.30121	10.5
483.29062	7.5
575.35925	4.4
587.27014	4.5
593.16156	11.2
593.31793	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	594.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68001	0.2
51.02350	0.8
53.03949	2.9
61.02917	0.4
64.65987	0.3
65.03945	0.2
67.20962	0.2
69.03433	8.6
69.07061	0.3
69.38598	1.1
69.39002	0.6
77.03915	0.6
79.05494	2.6
80.80553	0.2
81.03432	1.3
81.07036	0.5
85.02893	1.1
91.05476	0.7
93.07021	0.4
95.04972	3.2
95.08593	0.3
97.02900	1.8
99.04456	1.0
105.03395	100.0
105.04544	2.5
106.03691	0.5
107.04958	36.9
107.08616	0.3
109.02892	1.2
119.04926	0.5
119.08520	0.3
121.02840	0.2
123.04421	1.0
127.03921	7.4
131.04945	0.5
145.04950	0.6
145.10188	0.3
147.04413	2.8
148.04785	1.0
168.25223	0.2
189.05534	0.3
209.99309	0.3
231.06546	4.1
231.08586	0.4
249.07593	4.2
267.08643	30.4
331.08109	0.4
332.08545	0.4
550.18427	0.7
588.67694	0.3
594.16559	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	592.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73170	1.9
54.61746	1.8
55.05508	6.7
56.05026	3.1
56.96555	3.3
57.03428	2.3
67.05507	14.5
67.86354	2.2
69.03434	3.3
69.07076	4.8
71.05005	2.1
71.54968	2.7
79.05490	14.6
81.03413	2.8
81.07053	15.2
82.06568	3.5
83.04982	2.0
83.08626	4.8
85.02895	3.6
85.06563	1.9
87.04501	2.6
91.05480	6.3
93.07043	25.9
94.06583	16.9
95.04974	4.6
95.08617	26.0
96.08133	5.5
97.06532	5.2
105.07047	11.0
107.07352	3.0
107.08591	2.8
110.09690	8.5
110.85284	2.1
111.08093	13.0
117.06989	2.3
122.09680	34.1
123.08082	28.6
128.10724	35.9
139.03879	3.2
140.10712	100.0
141.09116	12.1
147.11687	2.1
158.11760	6.9
272.25812	6.2
305.46497	2.0
310.62286	1.7
315.16412	3.3
316.16742	2.8
333.17508	4.0
334.17752	3.8
382.33209	10.6
394.33163	19.9
412.34232	87.5
519.64227	2.1
592.36285	2.6
592.49854	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	593.1634
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
51.02381	1.0
52.03044	0.5
53.03948	4.9
55.01860	0.4
55.05493	0.4
69.03431	1.3
71.36468	0.6
71.36796	0.3
77.03929	0.8
79.01614	0.8
79.05488	1.0
81.03422	3.0
81.07068	0.9
85.02927	0.4
91.05489	0.8
93.07057	0.7
95.04980	3.8
95.08646	0.5
97.02883	0.9
99.04520	0.4
103.03941	0.6
105.03400	100.0
105.04552	2.6
106.03710	0.8
107.04989	1.8
107.08583	0.7
109.02878	5.9
117.03354	0.3
119.08569	0.5
123.04438	0.4
127.03939	1.5
130.03902	0.5
133.02623	0.8
133.10182	0.6
135.02193	0.3
135.04184	2.6
144.59940	0.3
149.02176	0.7
160.82150	0.4
169.04996	0.7
177.05484	1.1
179.03188	13.6
190.25983	0.3
201.05244	0.4
209.04134	0.4
211.05865	1.0
241.08366	3.5
257.08023	0.6
291.08698	1.1
309.09967	0.4
317.10327	0.5
331.07904	18.4
437.12164	1.1
439.13870	1.1
455.13333	0.6
549.17480	5.3
593.16327	89.8
594.16357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.76517	0.3
57.63457	0.3
64.03284	0.3
69.73872	0.5
69.74276	1.3
89.60543	0.3
100.00591	0.3
104.49622	0.3
111.89946	0.3
324.15018	0.4
362.51077	0.3
388.17056	0.4
389.17896	1.0
402.18439	1.0
403.19330	3.2
404.20236	1.0
405.20883	1.2
416.20276	0.7
417.16028	0.6
417.21329	3.3
418.21576	1.4
419.22461	3.9
420.22873	0.4
430.17871	1.1
431.18124	7.0
431.23611	0.7
432.18680	1.8
433.24326	5.9
434.24808	1.4
443.18982	0.4
445.19891	9.9
446.20914	4.1
447.21844	4.3
449.22818	0.4
459.21448	2.8
460.22583	8.6
461.23352	7.7
473.23901	1.9
474.07602	0.4
476.25873	0.6
477.22955	0.5
487.24774	0.6
489.26831	0.6
491.24933	0.5
492.25296	1.1
505.22073	4.6
518.23077	0.5
519.24066	0.7
533.25507	22.6
534.25970	0.4
564.23511	0.5
565.27783	0.7
593.27594	100.0
594.27563	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	593.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15116	0.3
69.34164	2.1
69.34578	0.5
125.22588	0.3
246.44963	0.3
388.17087	0.4
389.17676	1.0
401.17685	0.4
402.18457	0.8
403.19278	3.1
404.19962	0.9
405.21075	1.6
416.20361	0.6
417.16678	0.9
417.21442	3.0
418.21985	1.7
419.22452	3.8
429.21161	0.6
430.17203	0.5
430.22287	0.5
431.18118	7.8
431.23611	0.5
432.18381	1.7
432.23718	0.9
433.24213	6.6
434.24500	1.1
445.19968	9.2
446.20633	3.8
447.21823	4.3
449.23489	0.5
459.21576	3.4
460.22598	10.0
461.23358	11.0
463.20978	0.5
473.23566	1.6
474.24228	1.0
476.25665	1.3
477.22733	0.9
487.25140	1.0
491.24603	0.6
492.25604	1.3
505.21863	4.2
515.24487	0.3
518.23187	0.5
519.24353	0.5
528.68756	0.3
533.25525	41.3
534.25836	0.9
564.23535	0.6
565.28149	0.9
593.27625	100.0
594.27972	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	592.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03173	0.2
53.03939	0.4
57.03438	0.2
57.45646	0.2
61.02924	0.2
65.03927	0.3
67.05489	0.7
69.03434	7.5
69.23486	1.9
71.05003	0.3
79.05479	1.0
81.03414	0.3
81.07019	0.2
84.87946	0.2
85.02895	0.7
91.05467	0.3
92.87412	0.2
93.03394	0.7
93.07033	0.2
95.04967	0.6
97.02879	1.1
98.97594	0.2
99.04460	0.3
107.04961	7.2
107.08575	0.3
108.02097	0.7
109.02867	0.5
111.04449	0.7
116.10724	0.2
123.04446	0.8
125.05994	0.6
127.03924	3.8
135.04379	0.3
141.05455	0.6
142.12834	0.2
147.04375	0.6
148.58597	0.2
151.03911	100.0
151.04947	4.6
152.04204	0.3
163.03902	0.5
169.04987	2.2
207.06577	0.2
257.08075	2.4
260.26566	0.2
274.77292	0.2
275.45047	0.2
285.07526	0.3
295.08142	6.7
310.15414	0.3
313.09177	25.4
350.30777	0.2
494.26205	0.3
542.99933	0.2
594.12695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05520	6.7
57.03437	15.4
57.07079	29.0
61.59406	1.2
67.05504	17.1
69.03424	1.9
69.07096	5.9
69.51763	6.5
69.52169	2.9
70.55624	1.2
71.08638	22.2
72.37955	1.2
73.41463	1.4
74.33941	1.2
79.05502	9.3
81.03419	65.9
81.07063	21.1
83.04990	2.2
83.08625	20.8
85.10188	13.3
89.06033	3.0
91.05485	12.9
93.07035	7.9
95.04978	17.9
95.08610	17.1
97.02887	1.9
97.06499	2.5
97.10152	6.4
98.21544	2.2
99.11724	1.2
103.07624	1.7
105.07058	10.3
107.04946	3.5
107.08607	4.0
109.06511	2.1
109.10154	8.4
111.08101	4.4
119.08605	9.3
121.06521	2.5
121.10144	3.9
123.08108	1.5
123.11702	4.1
129.06993	6.0
131.08588	5.9
133.06534	2.4
133.10120	4.2
134.10419	1.5
145.10103	1.8
147.08023	2.6
147.11711	4.6
149.09637	3.0
157.10127	6.9
161.09593	1.4
175.11154	6.8
188.60612	1.1
193.12251	21.7
211.13330	1.9
239.23807	2.8
246.01407	1.4
257.24911	2.0
258.48019	1.2
260.21008	2.6
267.15927	100.0
313.27356	88.3
314.27753	3.4
327.11600	1.4
505.38904	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05523	12.9
56.85333	1.7
57.03435	9.0
57.07081	44.6
65.03931	2.4
67.05509	61.5
69.07075	13.8
71.08634	30.6
71.17526	4.4
79.05492	31.2
81.07063	74.7
83.08627	14.5
85.06525	2.4
85.10198	13.3
91.05489	16.3
93.07058	47.7
95.08612	65.3
97.10178	6.9
105.07034	13.9
107.08603	26.5
109.10165	31.1
111.11710	2.0
116.12397	2.0
117.07025	5.3
119.08601	13.2
121.10152	26.1
123.11723	15.4
128.16092	1.9
131.08606	11.7
133.10114	11.0
135.11699	18.8
137.13246	4.3
145.10126	10.9
147.11681	8.2
148.56372	2.4
149.13257	9.0
159.11726	7.8
161.13271	5.5
163.14851	8.6
173.13254	8.8
175.14917	3.2
182.70586	1.9
187.14844	4.8
187.38652	2.1
201.16551	2.2
233.22691	2.6
239.23653	4.0
243.21036	12.4
258.16592	1.9
261.22159	58.3
279.23254	3.3
288.57541	2.0
313.27380	100.0
317.24802	15.3
335.25815	72.9
456.95245	2.1
573.48810	30.8
591.50134	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3561
Annotation	Panganensine R
Peak:m/z	Relative Intensity
55.05510	1.6
56.96553	0.8
64.95950	0.5
67.05518	1.4
68.67416	0.6
69.03426	1.1
69.07060	1.7
69.58208	3.0
70.90523	0.5
79.05488	0.8
80.81592	0.5
81.03413	1.8
81.07064	4.0
83.04994	0.7
85.02921	1.0
91.05482	1.4
93.07053	1.8
95.04971	1.4
95.08632	1.7
97.02887	1.4
97.06546	1.0
97.10186	1.3
104.17583	0.6
105.03389	3.9
105.07037	1.8
107.04974	1.8
107.08600	1.9
109.02902	1.1
109.10183	1.5
117.23652	0.6
119.04945	1.0
119.08619	1.6
121.06514	0.5
121.10175	1.5
123.04449	0.5
123.11723	0.9
127.03939	0.9
131.08617	0.6
133.06593	0.6
133.10193	1.0
135.11690	0.8
137.06029	0.6
137.09697	1.0
137.13272	0.6
143.10701	0.6
145.02885	0.5
145.10158	1.4
147.04427	4.0
147.11665	0.8
159.11673	0.7
162.05461	0.9
173.13255	0.6
175.14850	0.7
177.05501	1.0
190.05072	0.6
267.08585	0.7
271.06107	0.7
282.05191	0.6
287.05563	3.9
309.09607	0.6
329.17194	0.6
372.04150	0.6
413.12469	0.8
450.64139	0.6
462.39716	0.7
589.27588	3.6
589.35657	100.0
590.35480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23193	4.0
55.05505	11.4
57.03441	7.8
61.96877	4.3
67.05499	19.4
69.03431	6.8
69.07063	10.8
69.31062	39.9
71.04972	5.4
79.05503	20.5
81.03420	56.0
81.07067	31.1
83.04988	8.4
83.08613	20.0
85.02924	7.3
90.99033	4.0
91.05490	25.1
93.07062	20.7
95.04976	20.7
95.08610	10.5
97.06537	7.8
105.07029	19.7
107.04958	5.8
107.08569	6.1
109.10144	7.7
111.08076	10.0
111.54653	4.6
119.08601	19.6
121.06501	4.7
121.10146	10.3
129.06960	9.1
131.04898	7.5
131.08572	14.0
133.10078	10.2
147.04359	7.7
147.11682	10.3
149.09592	4.1
157.10153	10.6
175.11185	9.2
178.74545	4.6
193.12305	21.8
211.13269	34.4
254.34706	4.2
267.15936	100.0
267.68427	4.5
285.16959	44.9
359.91226	4.9
367.22824	9.6
385.23953	12.6
433.25668	5.3
459.27426	49.0
477.28488	60.3
540.35321	6.9
553.18781	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12900	0.3
53.78836	0.3
55.46313	0.4
56.96562	0.5
59.04993	0.3
65.03935	0.5
66.99669	0.4
67.05502	0.8
69.03429	2.3
69.07055	1.0
70.84399	0.7
71.05000	0.8
79.05520	0.9
79.75841	0.3
81.03427	2.7
81.07072	2.0
84.96022	0.5
85.02888	1.3
89.36192	0.4
90.05540	1.1
91.05482	9.4
93.07043	1.3
95.04987	0.6
95.08595	1.6
97.02890	1.3
97.10159	0.4
98.97616	0.6
99.04480	0.6
101.75703	0.5
105.07034	1.3
107.04949	0.8
107.08585	1.3
109.02883	1.4
109.06537	0.9
109.10158	0.8
111.04507	0.5
119.04945	20.0
119.08582	1.2
120.08875	0.5
121.02924	0.7
121.10139	1.0
123.04414	0.6
123.08059	0.6
123.11697	0.5
124.07653	0.5
127.03915	1.5
129.06961	0.4
131.04938	0.5
131.08519	0.4
133.10121	1.1
135.08060	4.0
137.05971	1.2
137.09650	0.6
139.03831	0.6
143.08510	0.4
145.10126	0.9
147.04417	100.0
156.09337	0.5
159.08070	0.5
159.11742	1.1
161.06021	0.6
161.09744	0.4
165.05476	5.0
172.08839	0.7
173.09596	0.7
176.52246	0.4
177.05478	1.3
180.81122	0.4
187.11209	1.1
189.09030	0.4
199.11342	0.4
201.11227	0.7
202.10747	0.5
203.10803	0.7
215.10757	1.4
220.11807	1.7
221.12173	0.6
233.11716	2.1
245.11731	1.5
263.12866	1.5
287.05536	1.0
291.08640	2.9
309.09735	7.3
389.56662	0.4
413.12640	0.8
589.24255	1.9
589.32806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
54.25309	0.8
55.01861	2.2
56.96563	1.2
57.03424	2.3
61.02921	1.5
64.27742	0.7
66.04694	1.2
67.68460	0.7
69.03433	13.1
70.06603	1.0
71.04999	1.9
71.17105	0.8
71.17439	0.8
73.02908	2.0
79.05499	1.4
81.03422	12.5
81.07049	2.3
82.69205	0.7
83.04955	0.9
85.02911	19.4
87.00831	5.0
91.05477	6.6
92.05776	0.8
93.07037	1.1
94.04202	3.6
94.78300	0.8
95.04939	1.4
97.02892	7.9
98.97588	1.3
99.04472	4.7
103.05479	4.5
105.01868	5.0
105.03416	0.7
105.07021	4.6
107.04951	4.6
109.02894	9.4
109.06509	2.3
115.03933	0.9
115.05459	3.4
117.07024	1.4
118.08679	0.8
119.04918	1.6
119.08611	3.7
121.10118	1.0
122.03655	7.4
127.03929	13.0
128.06190	3.8
129.01828	1.9
129.07001	1.9
131.04944	7.0
131.08568	0.8
132.05704	3.5
133.06485	3.3
133.10150	1.0
135.04381	1.1
137.05989	100.0
139.03938	0.9
141.06982	1.4
145.04968	4.5
145.06482	1.5
146.03642	1.4
147.04420	6.9
147.08081	4.3
149.06062	1.2
151.07573	2.1
156.05688	0.9
157.06465	0.8
159.02950	5.0
159.08047	1.1
160.05217	2.7
161.05974	9.3
163.03908	2.2
163.07568	14.6
164.36348	0.9
167.07080	1.1
169.06508	1.0
171.08095	1.4
175.07564	58.0
177.05501	2.0
184.05164	1.4
187.07487	5.2
189.09050	1.5
190.07736	1.2
191.08598	2.2
199.07571	14.6
201.09120	2.5
202.07800	5.9
203.08611	9.8
217.08461	1.0
218.07248	0.8
219.08124	5.5
220.08862	2.5
231.05052	1.5
231.08069	14.3
232.08876	1.9
235.07535	1.2
237.09158	0.8
243.08002	0.8
247.07509	2.8
248.08362	6.4
249.09161	1.4
251.10649	3.7
259.07623	8.3
260.08344	3.0
261.09183	1.0
263.10754	6.9
265.08646	1.1
276.07703	4.1
277.08655	4.2
279.10043	2.3
281.11978	0.8
287.05469	5.1
291.10199	16.1
292.10934	4.1
293.07986	1.9
295.13290	2.0
303.10010	0.8
308.10419	2.8
311.12805	9.5
323.12781	44.7
325.14343	4.4
335.12796	1.2
373.14130	1.0
589.14990	1.5
589.24713	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	589.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.01872	3.2
56.96555	1.5
57.03432	2.0
61.02922	2.1
65.03938	0.6
66.04729	0.6
67.05515	0.6
67.41786	0.6
68.99791	1.0
69.03089	0.7
69.03435	11.1
69.07071	0.6
70.06573	1.1
71.04998	1.7
71.54398	0.9
73.02927	2.1
74.17439	0.5
74.30431	0.4
79.05490	2.4
81.03419	12.2
81.07047	2.0
83.04974	0.6
85.02909	17.5
87.00824	6.1
87.04475	0.6
91.05486	5.2
93.07034	1.3
94.04178	3.3
95.05003	0.8
95.08582	0.6
97.02906	7.4
98.97575	0.9
99.04457	4.6
103.05460	5.5
104.06243	0.8
105.01900	4.5
105.07056	4.1
107.04952	8.2
108.05305	1.6
109.02891	9.3
109.06528	2.8
115.05450	4.1
117.01873	1.4
117.03358	0.8
117.07003	2.1
117.78995	0.6
118.08641	1.0
119.04939	1.4
119.08604	4.0
121.06618	0.6
122.03662	7.3
123.04472	1.2
125.02410	0.6
127.03926	13.8
128.06242	3.2
129.01826	0.7
129.06984	3.1
131.04926	7.7
132.05757	3.2
133.06499	2.7
137.05983	100.0
139.03909	0.8
141.07021	1.1
143.04913	1.1
145.04977	3.1
145.06493	1.2
146.03645	2.1
147.02850	0.9
147.04404	4.4
147.08044	4.6
148.04765	0.8
149.06027	2.0
151.07503	1.1
155.04927	1.1
157.06543	0.7
158.99567	0.7
159.02904	4.3
159.08070	1.7
160.05200	3.6
161.05992	10.9
163.03934	2.5
163.07544	15.7
164.04285	0.8
167.07037	1.2
168.05751	0.8
169.06544	1.0
171.08070	1.7
175.07555	59.5
177.05469	1.5
179.07024	1.2
184.05205	1.6
185.06010	0.6
187.07539	4.4
189.09171	0.7
190.07762	0.8
191.08562	3.5
192.09235	0.9
199.07553	15.6
201.09102	1.9
202.07800	5.8
203.06908	0.4
203.08615	9.5
204.09329	0.9
205.06523	1.0
218.07149	0.8
219.08057	5.4
220.08907	3.5
221.09764	0.7
229.08540	0.8
230.07254	1.4
231.04924	1.1
231.05496	1.1
231.08058	13.9
232.08891	3.2
235.10979	0.8
236.08267	1.0
236.94962	0.7
237.09111	1.1
246.07007	0.7
247.07523	3.2
248.08374	5.6
249.09140	1.3
251.10663	4.3
259.07590	9.5
260.08267	3.1
261.09103	1.7
263.07947	0.9
263.10721	7.7
264.07730	1.1
264.27524	0.7
265.08624	2.0
275.07129	1.7
276.07889	4.0
277.08575	4.6
279.10059	2.9
280.11362	1.1
287.05469	1.0
289.08545	1.1
290.09369	0.8
291.10156	18.1
292.10873	3.6
293.08090	3.3
293.11383	1.2
295.09885	0.7
295.13208	2.1
307.09592	0.8
308.10342	2.9
311.12766	8.9
315.10123	0.7
323.12793	40.1
325.14444	3.9
331.10367	0.6
335.12582	0.6
347.13220	0.6
353.13931	0.9
401.14081	0.9
444.15317	1.0
498.84042	0.8
589.16364	1.9
589.25336	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	588.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
53.96200	1.0
55.05515	15.0
57.03431	7.8
57.07087	7.7
67.05515	7.8
69.03436	1.3
69.07078	16.5
71.08611	3.9
77.66467	1.2
79.05503	7.0
81.03421	43.7
81.07051	9.0
83.04992	2.5
83.08625	24.5
85.10188	2.9
91.05487	10.4
93.07026	5.0
95.04969	14.8
95.08604	4.7
95.38829	1.2
97.02930	1.4
97.06538	2.2
97.10172	12.7
105.07045	8.7
107.04939	2.7
107.08598	2.9
108.13042	1.2
109.10155	1.4
111.08074	3.5
111.11737	2.7
119.08579	6.0
121.06507	1.8
121.10169	6.3
129.07021	7.0
131.08551	5.1
133.06483	1.9
133.10103	2.2
135.11729	1.4
147.08018	1.5
147.11690	4.4
149.09628	3.3
157.10100	4.1
165.12698	1.8
175.11153	6.6
193.12270	18.3
249.15001	1.7
267.15933	100.0
272.83823	1.3
311.25821	57.7
429.33228	1.7
434.04501	1.2
455.39056	1.5
503.37354	46.1
550.94885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.4
51.02380	0.5
53.03950	2.7
54.09148	0.1
55.01871	0.4
69.03434	0.9
69.22498	1.3
77.03912	0.7
79.05484	0.4
81.03429	1.7
81.07050	0.1
85.02915	0.3
95.04978	3.0
95.08604	0.2
97.02911	0.4
99.04455	0.5
103.03943	0.8
105.03397	100.0
106.03736	0.3
107.04958	3.0
109.02886	6.1
115.89176	0.1
123.04467	0.5
127.03912	0.9
169.04951	1.9
187.06055	0.4
223.10942	0.2
231.06549	1.3
244.87315	0.1
249.07648	0.3
291.08643	18.0
309.09698	25.6
310.10043	0.2
588.28656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05516	17.8
57.03441	13.9
57.07062	7.6
57.07308	1.8
58.26161	1.6
67.05506	11.1
68.39725	1.7
69.03416	2.7
69.07076	23.0
69.94965	7.2
71.08623	4.5
79.05480	7.5
81.03421	55.8
81.07055	14.1
83.04977	2.8
83.08624	30.1
91.05466	8.0
93.07053	11.7
95.04965	15.4
95.08599	7.2
97.02857	2.2
97.06532	2.0
97.10188	12.2
105.07034	7.0
107.04979	4.5
107.08574	2.8
109.06505	4.5
109.10113	2.7
111.04451	1.8
111.08067	6.5
111.11698	1.8
117.07013	1.8
119.08572	7.2
121.10133	4.7
129.06998	5.3
131.08675	3.7
133.10147	2.8
134.93307	1.6
135.11746	2.5
139.11165	1.6
147.11725	4.3
148.86975	1.8
149.09669	3.3
157.10124	5.5
175.11212	7.9
193.12262	19.9
236.60977	1.7
249.14937	2.0
267.15952	100.0
311.22183	3.7
311.25803	58.3
503.30566	3.5
503.37418	47.9
543.00781	2.1
588.38971	2.7
588.47797	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	588.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13911	0.4
53.03921	0.9
55.05468	0.3
59.27783	0.3
60.08137	0.4
62.51891	0.3
65.03910	0.7
69.03390	1.0
71.27657	0.7
77.03943	0.4
79.05492	2.3
81.03427	2.6
81.07024	0.6
85.02912	0.7
87.20889	0.4
91.05486	7.7
91.39497	0.3
93.00810	0.4
93.42985	0.3
95.04952	0.8
97.02870	1.4
103.05488	2.0
105.03386	1.3
105.06950	0.4
107.04958	29.0
109.02847	1.3
111.04384	0.4
119.04943	20.7
121.02873	5.0
125.42423	0.4
127.03946	0.6
131.04924	7.1
133.06499	0.7
135.11691	0.3
137.05959	0.5
145.04910	0.4
147.04414	100.0
148.04781	0.7
149.05959	1.0
159.04420	22.7
165.05524	2.2
177.05473	13.5
207.08168	0.4
225.09091	2.7
235.07597	0.8
251.07166	0.5
253.08606	26.7
277.08765	0.7
288.94229	0.4
291.08609	2.1
295.09647	2.0
309.09637	3.8
317.38797	0.4
321.09818	0.4
347.07681	1.0
348.08078	1.1
350.09402	0.6
397.12894	3.2
415.14294	1.0
567.57355	0.4
587.33966	2.3
588.35211	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	585.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05517	2.5
57.03434	1.0
57.07075	0.5
67.05514	7.3
68.96085	0.4
69.07077	4.2
71.08633	0.4
79.05505	2.4
81.07063	5.8
82.07406	0.4
83.04985	0.7
83.08617	2.2
85.06527	0.4
89.06052	0.8
91.05492	2.6
93.07064	2.8
95.08613	5.1
97.06579	0.4
97.10185	1.1
105.07050	1.6
107.08620	1.7
109.10164	7.1
117.03837	0.4
117.07042	0.7
119.08593	2.2
121.10175	1.8
123.11712	0.9
123.21016	0.3
127.11256	0.5
131.08595	0.5
133.08585	0.4
133.10155	1.6
135.11734	1.4
137.16576	0.3
143.08656	0.5
145.10141	1.3
149.13303	0.5
157.10178	0.9
159.11697	0.6
163.11261	0.6
169.10146	0.4
171.11632	0.4
197.13391	0.6
201.16328	0.4
203.37730	0.4
209.13290	0.6
221.15472	0.6
249.11011	30.9
249.18372	0.8
281.24612	0.4
305.13614	2.7
311.29587	0.6
315.63922	0.4
337.27512	1.2
338.27356	0.4
506.39346	0.6
531.44110	0.6
584.56000	0.9
585.37659	100.0
586.38031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2832
Annotation	KHIVORIN
Peak:m/z	Relative Intensity
51.58214	0.2
55.05500	0.2
57.03405	0.2
61.63175	0.2
66.33844	0.2
67.05492	0.6
68.41437	0.2
69.03416	0.3
69.07069	0.3
71.28320	0.3
79.05482	0.5
81.07047	0.8
81.86456	0.2
85.02859	0.2
91.05479	0.7
93.07049	0.6
95.04933	0.5
95.08604	0.4
97.60059	0.2
98.49767	0.2
98.97619	0.2
105.03391	0.3
105.07026	0.4
107.08593	0.6
109.02879	0.2
109.06499	0.3
109.10165	0.3
119.08600	0.2
121.06496	0.3
121.10155	0.2
123.04451	0.8
123.11755	0.3
125.09673	0.2
127.03893	0.2
131.04959	0.3
133.10170	0.3
135.11713	0.4
139.03896	0.4
145.10110	0.2
147.04431	0.8
151.03914	0.5
161.05913	0.2
238.89313	0.2
261.18298	0.4
273.14926	0.5
287.05411	0.2
289.06821	0.3
301.14252	0.3
303.08487	1.3
331.07742	0.2
349.08954	18.0
350.09396	0.2
364.45197	0.2
422.89133	0.2
425.19638	0.3
587.28265	100.0
588.28522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
53.37671	0.3
58.06586	0.7
62.75378	0.3
69.03433	1.9
71.56928	0.6
72.62824	0.3
73.09543	0.3
77.03886	0.4
79.05479	1.4
81.03424	2.7
81.07051	0.4
85.02901	1.1
91.05481	5.9
93.07043	0.6
95.04994	0.4
95.08618	0.5
97.02889	1.4
97.16538	0.3
99.04469	0.5
103.05432	0.4
105.03385	4.1
105.07027	0.5
107.04959	16.6
109.02888	1.4
109.10120	0.4
109.47575	0.3
115.05444	0.6
119.04945	16.9
121.02875	4.9
121.06501	0.4
123.04411	0.4
127.03925	0.8
131.04932	3.4
133.06490	0.8
141.05626	0.3
147.04411	100.0
148.04758	0.6
159.04420	15.4
165.05498	3.5
177.05482	4.3
197.09714	0.4
201.12201	0.4
225.09102	2.7
235.07544	0.8
251.06956	0.3
253.08618	11.3
291.08673	4.1
298.04321	0.4
303.08893	0.4
309.09686	7.0
397.12854	1.2
415.13913	0.4
535.93365	0.3
584.89093	0.4
588.33746	0.7
606.78711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
53.83923	1.3
55.01859	1.7
55.05495	4.2
56.96554	2.4
57.03428	3.6
61.02922	1.5
67.05515	9.8
69.03433	6.4
69.07056	2.9
69.26234	3.5
69.26656	8.8
71.04992	3.1
75.04456	4.6
79.05505	15.5
81.03416	8.4
81.07062	15.1
83.04937	3.5
83.08611	1.9
85.02911	7.9
91.05493	16.1
93.07054	59.5
95.04954	5.4
95.08611	8.8
97.02875	3.3
97.06503	2.1
97.10175	2.3
98.97543	2.3
99.04420	1.4
99.08080	1.7
105.03377	2.0
105.07045	10.1
107.04925	1.9
107.08611	18.9
109.02887	9.4
109.06504	1.9
109.10189	10.2
111.04438	1.4
111.08065	3.8
117.07019	2.9
119.04980	1.5
119.08602	17.5
121.06461	1.7
121.10160	54.0
123.08040	1.7
123.11673	4.0
127.03866	3.8
127.11189	3.0
129.07002	1.2
131.08553	5.0
133.10159	6.1
135.11707	12.1
137.05917	1.8
137.09567	1.2
139.03952	1.5
139.11148	3.3
143.10622	2.0
145.10094	1.8
147.04413	5.8
147.11685	3.6
149.09657	12.0
151.11223	2.4
153.12766	1.2
157.10136	1.6
159.11613	1.9
161.05992	1.9
161.13301	1.5
165.09016	1.3
167.10703	17.9
168.93100	1.4
171.11650	1.4
175.11212	1.3
177.05424	1.6
191.10727	1.9
203.17938	3.9
221.18996	2.3
273.14841	1.2
285.10156	1.8
293.13562	8.6
301.14404	2.1
311.14929	19.8
349.08795	5.6
365.10345	4.2
413.17813	3.3
423.23038	2.0
465.86127	1.4
515.22717	1.8
567.29047	2.0
585.27466	100.0
586.28113	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	585.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
56.55529	0.4
57.03423	0.8
57.07070	0.6
67.05507	3.4
69.07070	0.9
70.88254	0.3
73.21127	0.4
79.05491	2.2
81.07054	3.2
83.08614	0.6
91.05483	1.8
93.07046	2.6
94.44512	0.4
95.04957	0.4
95.08610	3.2
105.07023	1.6
105.50224	0.3
107.08602	1.8
108.08184	0.4
109.10172	1.2
109.83208	0.4
117.07030	0.5
119.08583	1.7
121.10168	0.5
131.08533	0.8
133.10117	0.9
135.11678	0.8
143.08647	0.4
145.10098	0.8
151.11284	0.4
157.10123	0.8
183.11490	0.6
187.14807	0.4
197.18950	0.4
221.15370	0.6
222.15770	0.5
231.18590	0.3
251.12547	6.4
252.86737	0.3
307.15210	1.4
309.42291	0.4
311.29486	0.6
312.29648	0.4
335.25848	1.5
410.80710	0.4
567.41315	0.8
585.37537	100.0
586.38092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
57.03414	0.8
57.07079	0.9
58.11925	0.5
67.05515	5.2
69.07066	1.9
71.58343	0.8
73.87194	0.6
79.05513	3.0
81.07059	4.5
83.08642	0.6
89.06011	3.0
91.05481	1.8
93.07046	2.7
95.08604	3.5
101.27166	0.7
105.07050	2.4
107.08611	1.6
107.31547	0.6
109.10176	1.3
119.08590	1.5
121.10134	0.9
131.08582	1.3
133.08600	1.6
133.10144	0.8
146.25188	0.7
147.11615	0.8
167.22401	0.6
196.65828	0.6
251.12563	14.5
307.15070	1.5
335.25842	1.2
537.01813	0.7
584.55737	1.2
585.37561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2676
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.05504	1.6
56.96557	0.8
57.03419	0.6
60.10046	0.5
60.18549	0.6
66.00259	0.5
67.05495	2.3
69.03432	1.3
69.07041	1.5
69.19602	3.7
69.20015	1.8
69.32417	0.5
71.04993	0.7
79.05494	3.5
81.03409	1.2
81.07056	5.2
83.04971	0.5
83.08639	0.7
85.02901	1.2
91.05487	2.5
92.37474	0.5
93.07056	8.1
95.04965	1.0
95.08615	2.7
97.06536	0.8
97.27256	0.5
98.20703	1.1
102.81801	0.5
103.05456	0.9
105.03379	1.2
105.07021	2.2
107.04958	0.6
107.08614	3.7
109.02875	1.0
109.06490	0.7
109.10153	2.5
119.08608	3.7
121.10147	8.1
123.04484	0.6
123.08068	0.6
123.11688	1.0
125.09618	0.7
127.11235	0.9
131.04897	0.7
131.08614	0.9
133.10136	2.5
135.11713	3.6
137.05997	2.2
139.11198	0.8
145.10216	0.6
147.04362	0.9
147.11670	1.1
149.09604	1.4
153.05531	0.7
161.13219	0.7
167.03391	0.7
167.07056	1.0
167.10693	2.2
169.04788	1.3
177.05594	0.7
187.93730	0.7
203.17923	1.5
221.19019	2.0
229.04626	1.1
244.06688	0.6
259.16763	1.4
285.96393	0.6
287.05612	3.1
311.14926	1.9
349.09000	13.8
361.23822	0.9
362.24213	2.8
457.20541	1.4
499.21622	1.8
515.22400	2.8
585.26764	100.0
586.26709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2676
Annotation	Ananolignan M
Peak:m/z	Relative Intensity
50.24516	0.2
55.05504	0.6
57.01579	0.2
57.03417	0.3
61.42423	0.2
63.45314	0.2
67.05499	1.2
69.03416	0.3
69.07050	0.7
71.05001	0.3
73.02917	0.2
79.05483	0.7
81.03408	0.9
81.07063	1.2
83.04966	0.4
83.08607	0.4
85.02913	0.4
90.15339	0.2
91.05472	0.8
93.07038	0.9
94.28304	0.2
95.04961	0.5
95.08598	0.6
97.02872	0.3
97.06515	0.4
97.10132	0.3
98.20695	0.5
101.02257	0.2
105.07035	0.6
107.01072	0.5
107.05001	0.5
107.08578	0.6
109.02855	0.5
109.10155	0.7
117.07053	0.3
119.08540	0.7
121.02709	0.3
121.10103	0.7
131.04881	0.2
133.10133	0.4
135.08022	0.2
137.06013	0.3
145.10110	0.3
147.04408	0.9
147.11668	0.3
155.03395	0.2
161.05910	0.3
163.03883	0.3
169.04741	1.0
177.05461	0.3
186.02885	1.9
193.12202	0.4
229.04715	0.6
243.06322	0.4
244.07048	0.5
259.16699	1.8
269.13275	0.4
271.05981	0.3
277.17743	0.9
283.15149	0.9
287.08856	0.3
301.14441	0.6
303.08469	0.6
315.08389	0.6
331.07819	0.8
339.17566	0.4
347.07504	1.1
349.08957	11.1
419.13275	1.2
499.19269	0.6
515.22607	4.6
521.52393	0.3
528.28412	0.3
567.30322	0.4
585.26495	100.0
586.26776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97188	0.2
55.01863	0.3
55.05502	0.6
67.05497	1.0
69.03432	0.6
69.07056	0.4
69.38406	0.6
69.38820	1.3
71.04997	0.5
76.85909	0.2
79.05486	0.5
81.03417	0.8
81.07070	1.4
83.04963	0.2
83.08591	0.4
85.02910	0.5
91.05514	1.2
93.07043	1.0
95.04936	0.6
95.08606	0.6
98.21471	0.4
98.97605	0.4
103.79263	0.2
105.07038	1.0
107.01099	0.3
107.04960	0.5
107.08604	0.6
109.02872	1.5
109.10175	0.8
111.04438	0.2
119.08584	0.5
121.02802	0.3
121.06515	0.4
121.10138	0.6
131.04944	0.4
131.08530	0.2
133.10162	0.4
135.11694	0.2
139.03870	0.2
147.04411	0.7
149.09615	0.3
154.59755	0.2
157.10152	0.3
161.06017	0.4
169.04736	0.6
177.05414	0.4
179.19485	0.2
186.02887	1.9
187.03604	0.4
193.12323	0.4
229.04707	0.5
244.07100	0.4
259.16806	1.1
277.17563	0.4
287.08917	0.2
301.14642	1.1
303.08154	0.4
315.08212	1.0
319.15463	0.4
331.07758	0.6
347.07324	0.8
349.08957	13.3
365.10544	1.4
423.22836	0.5
515.22711	4.2
567.29553	0.4
582.01093	0.3
585.26788	100.0
586.26727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05511	1.1
56.96581	0.7
67.05518	1.4
69.03416	2.4
69.07076	1.4
70.73180	0.7
70.73543	2.1
79.05488	1.3
81.03420	1.6
81.07049	2.1
83.08644	0.8
85.02916	2.2
86.10192	0.6
91.05471	1.4
91.67786	0.8
93.07040	1.4
94.16100	0.8
95.04985	1.3
95.08617	1.1
97.02867	1.7
97.10152	1.3
105.03398	18.8
105.07018	1.0
107.04964	7.0
107.08598	1.4
109.02905	1.3
115.05475	0.6
121.10131	1.0
127.03929	2.6
129.07083	1.1
131.04942	1.1
131.08539	1.0
137.06021	2.3
145.02785	0.9
147.04442	2.6
151.03966	1.0
153.01863	1.1
159.08073	1.1
163.04012	1.0
163.11201	1.0
167.07074	0.9
173.09560	0.6
177.05455	0.8
187.07451	0.9
195.00577	4.6
213.01630	4.8
217.08690	0.9
247.09621	0.6
249.11296	1.4
254.17607	1.7
289.07001	0.8
301.04724	0.9
305.04297	0.9
374.21857	1.1
429.09842	1.2
523.14038	0.7
567.12640	25.9
585.13788	100.0
585.28326	10.2
586.13745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94943	1.3
56.96566	7.1
57.03422	1.4
58.99847	1.8
61.02896	1.5
66.88162	1.3
69.03427	4.8
69.29676	13.6
69.43565	1.7
71.04965	2.0
73.02923	2.0
81.03423	2.0
82.99873	5.1
84.96041	1.5
85.02901	10.9
95.73791	1.3
97.02901	5.1
98.97585	13.4
101.00887	23.8
107.04949	4.1
109.02855	1.8
110.97586	4.2
113.00880	4.4
115.02431	3.3
116.98619	3.4
117.04021	2.1
119.01931	46.0
123.04420	1.9
127.02436	4.0
127.03928	5.6
128.98592	3.1
129.03957	10.8
131.01933	12.1
133.03494	3.1
137.02963	4.4
139.02409	2.0
139.90515	1.5
141.03935	1.7
143.00206	2.1
143.01912	54.0
145.03462	19.5
145.05055	2.5
146.99701	2.9
147.05011	6.0
153.03996	3.3
155.01910	25.9
157.03468	16.1
158.99686	3.2
159.05042	7.4
161.02974	85.9
163.04633	2.1
165.00882	1.8
167.01917	10.3
168.36642	1.8
169.03471	6.9
170.99686	3.0
171.05040	32.6
171.06393	2.8
173.01500	1.6
173.02972	32.7
173.06616	6.8
175.00923	5.1
175.04515	13.9
179.01901	4.8
181.03534	4.2
183.05017	3.2
185.02965	47.4
185.04605	2.5
187.00900	2.4
187.04599	10.0
188.97142	2.1
189.06079	10.6
191.04070	7.1
193.01965	4.5
193.04025	1.5
193.05598	9.8
195.05087	2.3
197.02995	18.5
199.04524	21.3
200.04620	1.7
201.00752	3.6
201.06206	2.5
203.02298	1.8
203.04048	21.8
205.00171	1.9
205.01984	4.8
208.99713	1.9
209.03001	3.8
211.04544	2.9
213.06192	7.8
215.04037	13.8
217.02118	2.4
217.05594	46.1
219.01790	6.9
221.05035	11.3
223.04753	2.6
225.06149	3.3
227.04021	9.0
229.05594	4.5
231.07166	4.3
232.99712	2.1
233.05029	2.3
235.06673	8.7
237.02762	5.7
239.03978	1.7
240.07024	2.4
241.05597	4.0
243.03596	7.6
245.05099	100.0
247.06627	2.5
249.08147	2.0
255.03897	1.6
255.07143	2.2
257.05038	5.3
259.06671	58.0
261.04837	7.4
263.06161	19.8
271.06662	12.3
273.08218	3.3
275.06146	9.0
277.07819	10.7
279.03671	2.3
281.07150	2.0
281.57129	1.6
283.06750	2.8
289.04410	2.9
289.07681	8.8
291.00076	1.9
293.07376	1.8
301.07635	5.8
303.05588	14.9
305.07162	6.9
307.05042	4.6
307.08408	2.0
315.05997	2.1
318.99792	4.5
319.08804	22.0
323.57718	1.8
333.06674	4.8
335.08228	5.1
337.09753	3.0
351.11472	8.2
361.09763	19.1
363.07742	21.7
365.09225	6.9
379.10956	13.5
400.06741	1.8
405.08832	17.3
423.09875	58.8
425.11166	2.7
455.12357	1.7
469.10291	8.1
499.15228	2.5
541.15759	6.4
567.13757	2.1
585.15356	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	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.05510	8.5
57.07076	10.4
59.04985	1.7
61.01197	1.7
65.03941	1.4
67.05506	15.1
69.03424	3.6
69.07065	10.2
69.24072	5.1
69.24496	9.3
72.05392	1.6
77.03945	1.4
78.11377	1.4
79.05497	18.4
81.03401	1.7
81.07054	21.1
83.04982	4.2
83.08604	5.2
85.06540	4.7
89.06043	11.9
91.04965	2.6
91.05484	29.5
93.07047	33.2
95.04971	6.1
95.08609	25.6
96.98504	1.8
97.06510	4.6
103.05459	1.8
105.07031	46.0
107.08591	27.0
109.06512	8.1
109.10155	12.3
115.05425	3.2
116.06214	1.6
117.07020	14.5
119.08583	63.9
120.09320	4.8
121.06494	3.0
121.10146	22.2
123.08072	11.4
123.11657	3.3
125.05922	1.8
125.09627	2.0
128.06224	6.2
129.07007	12.2
130.07787	4.0
131.08565	31.1
133.08551	6.3
133.10141	29.5
135.08067	9.4
135.11725	10.8
136.08792	1.8
137.09651	7.3
139.07527	2.1
141.06966	3.7
142.07768	11.6
143.08553	27.6
144.09335	9.6
145.10138	43.0
147.08041	12.3
147.11700	12.5
149.09618	6.2
151.07556	4.8
151.11127	1.6
153.07031	2.8
155.08591	12.0
156.09338	12.2
157.10133	41.6
158.10867	5.6
159.08037	3.7
159.11694	28.4
159.12938	0.9
160.08966	1.8
161.09618	5.5
161.13264	8.0
163.11185	6.9
165.06993	3.2
165.09123	19.1
167.08578	7.6
168.09290	5.7
169.10173	14.2
170.10985	8.0
171.07993	1.8
171.11690	24.5
172.12445	6.4
173.09630	7.5
173.13277	16.7
175.11209	11.9
175.14847	9.9
179.08530	4.0
180.09286	1.7
181.10130	8.6
181.12225	6.1
182.10863	4.2
183.11723	18.7
184.12506	3.7
185.09599	2.4
185.13217	15.2
187.11169	2.6
187.14824	6.6
189.12729	5.6
190.13564	4.6
191.10692	2.1
191.14331	2.5
192.09201	3.1
193.10120	6.0
193.12231	7.8
194.10841	4.4
195.11691	11.3
195.13571	2.3
196.12367	4.8
197.13280	12.7
198.10471	2.0
198.14040	3.3
199.11147	3.0
199.14824	5.4
200.12071	1.7
201.12784	4.4
201.16431	3.7
203.14368	11.9
207.11659	8.0
207.13788	8.2
208.12546	3.6
208.14513	3.7
209.13301	14.3
210.13986	2.2
211.11176	2.3
211.14908	8.7
213.12743	3.3
213.16460	4.1
216.15012	1.8
217.15901	2.9
219.11668	1.8
219.13757	2.8
220.12430	3.8
221.13242	7.1
221.15327	46.1
222.13960	2.7
223.14813	9.3
224.15755	2.9
225.16306	4.1
225.31496	1.6
227.14249	1.8
233.13226	3.0
233.15355	2.2
234.16167	7.9
235.14883	5.1
236.15610	1.9
237.12756	4.3
237.16422	5.4
239.17923	2.9
241.15825	2.1
243.13815	2.2
245.13167	1.8
247.14738	3.6
247.16963	9.1
249.16408	2.8
251.17940	2.4
253.15800	1.7
253.19685	2.8
258.14035	2.0
259.14719	1.8
261.16415	2.6
263.17984	4.7
265.19531	2.5
271.16901	2.8
274.19421	2.3
275.17868	3.2
281.19034	2.5
283.20444	1.8
287.20090	1.9
289.19394	1.7
296.21280	2.7
299.20105	11.8
300.20700	2.6
300.28741	1.6
303.47476	1.6
309.18646	1.8
311.19800	2.0
311.29437	3.2
312.24420	2.6
319.20508	2.2
325.21664	8.6
337.21649	8.4
339.28107	2.5
352.23962	62.5
365.24640	10.9
371.22595	3.5
376.27667	3.0
383.25647	2.2
397.27310	2.4
398.28079	5.1
404.30844	4.6
411.29019	2.3
412.29721	14.9
423.28564	2.6
424.29779	1.8
425.30524	3.9
438.31268	12.7
489.33530	5.0
490.34698	2.2
491.35162	8.5
492.35611	5.2
504.35965	100.0
513.87213	1.7
549.40173	2.9
566.40576	2.8
569.39636	2.5
584.41913	19.0
584.55994	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	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57212	0.9
53.03967	1.2
53.88346	0.9
55.01866	1.4
55.05502	3.8
57.07079	7.2
59.05002	1.9
65.03947	1.5
67.05510	11.3
69.03441	4.5
69.07072	7.2
71.18639	1.4
77.03910	1.5
77.38384	0.9
79.05492	12.2
80.06271	1.5
81.07055	15.9
83.04983	1.9
83.08607	2.8
85.06528	4.7
89.06026	5.4
91.05478	21.4
93.07044	24.8
94.85368	1.0
95.04984	4.8
95.08607	19.3
97.06544	2.7
103.05462	2.0
105.04492	1.1
105.07029	38.0
106.07835	1.9
107.08586	22.6
108.09338	1.4
109.06499	5.1
109.10168	8.4
115.05429	2.9
116.06245	1.6
117.07021	12.9
119.08583	51.2
120.09351	3.4
121.06513	2.8
121.10149	17.4
123.08078	8.4
123.11691	2.6
125.05990	3.6
128.06216	4.3
129.07008	8.5
130.07767	3.5
131.08568	23.8
132.09435	2.1
133.08588	3.7
133.10135	25.4
134.10912	1.1
135.08047	9.2
135.11702	8.1
137.06027	1.1
137.09602	6.1
139.15985	0.9
141.07004	4.4
142.07780	8.0
143.08559	23.2
144.09378	7.2
145.06519	1.8
145.10120	34.1
146.10873	2.3
147.08051	12.3
147.11681	9.2
149.09642	7.0
149.13232	2.4
151.07532	5.4
151.11127	1.9
154.07722	1.4
155.08582	8.6
156.09346	7.5
157.10136	31.6
158.10912	6.0
159.08049	4.1
159.11682	20.0
160.08759	1.7
161.09630	4.4
161.13252	6.3
163.11148	6.5
165.06946	2.9
165.09111	18.2
167.08565	5.1
168.09346	3.4
169.10114	11.7
170.10945	5.3
171.08063	1.2
171.11679	20.9
172.12468	5.4
173.09587	3.6
173.13255	12.9
175.11188	8.9
175.14807	9.0
177.09102	1.9
177.11290	1.7
177.12733	3.8
179.08595	3.6
180.09352	2.8
180.11336	0.9
181.10126	7.4
181.12260	6.5
182.10918	5.5
183.11687	15.8
184.12425	3.1
185.09683	2.4
185.13277	10.2
187.11147	2.2
187.14851	5.8
189.12680	5.1
190.13553	3.8
191.10681	1.5
191.14235	1.6
192.09322	1.6
193.10144	4.6
193.12273	7.2
194.10971	4.8
195.11685	10.1
195.13708	2.1
196.12511	3.0
197.09659	1.2
197.13268	11.5
198.13957	3.4
199.11203	4.2
199.14842	4.5
201.12773	4.2
201.16454	2.2
203.14357	9.3
205.10181	1.7
206.10864	1.5
207.11688	5.9
207.13803	5.6
207.82422	1.0
208.12442	3.8
208.14598	4.0
209.09576	1.4
209.13220	8.6
209.15044	1.5
210.13922	2.1
211.11191	1.8
211.14821	6.9
212.15630	1.8
213.12744	2.3
213.16484	2.3
215.14236	1.7
217.15845	3.1
219.11771	1.8
219.13820	3.2
219.17505	1.5
220.12376	1.6
221.13246	6.4
221.15321	42.8
222.15758	1.7
223.14787	7.4
224.15538	2.1
225.12787	3.1
225.16367	3.7
227.14363	2.3
227.17931	1.1
231.17392	1.4
233.13237	3.5
234.14061	1.4
234.16129	7.7
235.14835	4.2
236.15567	2.0
237.12776	2.3
237.16394	4.4
239.14313	1.4
239.17953	2.3
241.16022	1.2
241.19562	1.3
243.13785	2.1
245.13115	1.4
247.14809	1.7
247.16980	6.9
249.16394	3.1
251.14301	2.2
251.17982	2.8
253.15887	1.8
255.17442	1.5
259.14676	1.5
259.17078	1.7
261.16232	2.0
263.14526	1.6
263.17889	3.4
265.19501	1.9
267.17307	1.5
269.18854	1.2
270.19739	1.1
271.16867	2.2
271.20621	2.2
274.19290	2.4
277.19159	1.1
281.18900	4.7
283.20517	3.1
286.19299	2.2
287.20071	3.0
291.17545	1.2
296.21313	2.2
299.20068	10.5
307.20673	1.4
309.18631	1.4
310.19180	1.2
311.20007	2.6
311.29501	1.5
312.20776	3.7
312.24286	2.1
319.20587	1.4
324.24265	1.7
325.21667	10.6
329.22379	1.4
337.21613	5.9
347.23642	1.3
351.23416	1.1
352.23959	63.6
361.25134	1.2
363.26727	1.5
365.24744	10.8
371.22647	2.2
376.27762	1.7
378.25647	2.1
383.25735	2.4
391.26181	2.4
397.27246	2.9
398.28116	4.2
399.29077	1.6
404.30795	6.0
411.28918	1.8
412.29663	14.6
423.28528	1.3
425.30472	3.5
431.29364	1.7
438.31332	13.0
489.33353	5.0
491.35196	12.9
492.35599	7.3
504.35977	100.0
505.36649	1.4
566.40771	2.6
569.39581	2.3
584.42029	18.9
584.56158	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	584.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01860	0.6
55.05516	2.9
56.96549	0.5
57.07075	0.3
60.10210	0.4
65.71149	0.4
67.05173	0.5
67.05505	5.1
68.99798	0.4
69.03416	1.0
69.06760	0.4
69.07069	3.2
70.00584	1.7
71.04963	0.4
79.05500	2.0
81.03403	1.5
81.07053	5.1
83.04971	0.8
83.08608	1.2
85.02886	0.9
91.05486	1.9
92.05790	0.3
93.07035	2.9
95.04964	0.9
95.08598	4.2
97.02872	0.7
97.06516	0.6
97.10181	0.9
105.07013	1.0
107.04935	0.8
107.08600	2.0
108.98679	0.4
109.02917	0.5
109.06527	0.5
109.10178	2.6
111.04426	0.8
111.11768	0.3
112.02756	0.3
119.04958	0.5
119.08585	1.1
121.06493	0.7
121.10169	2.3
123.04376	0.6
123.11699	1.0
125.06051	0.5
125.09586	0.4
127.03919	0.9
131.04959	0.5
131.08568	0.5
133.06427	0.4
133.10150	0.6
135.11658	0.7
137.05931	2.0
139.03906	9.3
141.05467	2.1
147.04387	1.3
147.11658	0.7
149.05963	1.0
151.03914	6.0
151.07581	0.6
153.01865	3.3
153.05470	16.5
161.05980	0.6
161.13261	0.5
163.03922	0.9
163.07520	0.7
163.11235	0.5
165.01746	1.8
165.05457	2.3
167.03401	22.9
167.07065	1.3
171.11703	0.4
177.05470	10.1
177.16481	0.4
179.03519	0.5
179.07024	1.6
181.04999	0.8
183.02910	0.9
191.07001	1.4
192.86624	0.4
193.04892	1.8
193.08670	0.5
195.06554	1.6
195.43419	0.4
203.18021	0.5
205.08656	1.2
207.10191	0.7
209.08170	0.7
211.13365	0.5
217.08661	0.5
219.10133	1.0
238.94562	0.4
241.70285	0.5
338.05923	0.4
343.22684	6.1
349.09113	0.6
361.23727	100.0
362.24002	1.0
424.87955	0.4
584.31567	3.0
585.26721	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.0
53.03949	3.7
55.05514	12.6
57.07081	10.9
59.04999	4.1
65.03944	3.1
67.05502	19.0
67.05836	1.6
69.03423	6.3
69.07066	15.0
69.19834	11.0
70.67290	1.1
79.05492	21.5
81.07056	25.8
83.05003	5.4
83.08607	8.2
83.91767	0.9
85.06554	7.0
86.94231	1.1
87.04467	1.1
91.05483	38.7
93.07043	47.9
95.04967	6.9
95.08609	32.6
97.06543	5.1
97.10193	1.5
103.05488	4.6
105.04581	1.3
105.07030	65.1
107.08595	36.6
109.06510	6.3
109.10154	17.7
111.08114	3.3
115.05463	5.0
116.06239	2.8
117.07024	13.6
119.08583	66.7
121.06490	5.9
121.10147	39.0
123.08072	13.7
123.11703	5.5
125.06029	2.8
125.09643	2.7
128.06206	11.7
129.07007	16.9
130.07784	6.3
131.08575	30.4
131.09531	2.0
133.06532	1.4
133.10136	35.1
135.08076	9.8
135.11690	12.4
137.06064	1.2
137.09602	11.3
139.11185	2.3
141.06990	8.5
142.07773	19.3
143.08560	35.9
144.09381	6.6
145.06522	1.3
145.10121	43.3
147.08047	15.3
147.11676	12.8
149.09645	5.2
149.13271	3.9
151.07561	14.0
153.06993	5.6
153.09120	2.6
154.07803	3.3
155.08556	15.9
156.09354	17.7
157.10130	46.9
158.10918	8.1
159.08064	4.0
159.11685	23.7
161.09566	6.1
161.13283	7.4
163.11182	5.8
165.07048	8.2
165.09108	31.8
166.07866	2.1
167.08560	10.4
167.10669	7.7
168.09344	7.6
169.10126	26.7
170.10916	8.9
171.11691	26.0
173.09686	3.7
173.13281	19.7
173.14685	1.5
175.11240	3.3
175.14804	8.5
177.09084	2.0
177.12868	1.6
178.07768	2.2
179.08571	13.3
180.09334	5.7
181.10135	15.2
181.12146	5.4
182.10919	6.8
183.11684	25.4
184.12512	5.7
185.09753	1.7
185.13260	16.7
187.11263	3.2
187.14851	4.6
189.12787	5.2
191.08662	1.3
191.14294	6.4
192.09396	4.7
193.10144	14.9
193.11940	1.9
194.10938	12.1
195.11700	20.4
195.13451	1.9
196.12436	5.6
197.13248	19.5
198.14154	1.9
199.11163	2.4
199.14844	12.6
201.12750	1.8
201.16414	2.9
203.08649	1.7
203.14325	15.3
204.09407	1.5
205.10246	4.8
206.10905	7.6
207.11761	16.9
207.13837	5.8
208.12419	6.6
209.13272	27.4
209.15295	2.8
210.14081	3.3
211.11276	1.5
211.14793	10.1
212.15675	1.5
213.12831	2.7
213.16447	4.0
215.14331	2.1
217.10252	3.2
217.15886	7.4
218.10966	3.1
219.11710	7.6
220.12436	5.8
221.13304	13.7
221.15446	55.4
222.14136	3.0
223.14792	11.9
225.12889	2.9
225.16376	5.8
227.14391	4.4
227.17903	1.8
229.10075	1.7
230.10918	2.8
231.11739	4.3
231.17540	3.0
232.12486	5.2
233.13297	8.4
233.15479	6.0
234.14124	2.7
235.14824	12.6
235.17017	1.6
236.15567	2.5
237.12845	2.3
237.16379	7.1
238.17247	1.7
239.14420	1.6
239.18002	6.0
241.16098	1.4
243.11708	2.4
243.17473	2.1
244.12587	3.4
245.13277	7.7
246.14125	3.7
247.14792	8.6
247.16870	1.9
248.15610	2.6
249.16397	7.2
251.18027	5.4
253.15791	1.7
253.19675	1.3
255.17590	2.9
257.13303	3.1
257.19006	5.8
258.14050	3.4
259.14844	6.3
260.15735	3.8
261.16287	9.8
262.17181	2.1
263.18011	6.8
265.16873	1.2
265.19455	6.3
267.17603	1.5
269.19073	3.4
271.07260	1.2
271.14798	2.3
271.20700	1.9
272.15775	1.5
273.16531	3.6
274.17365	2.0
275.17841	11.2
276.18857	2.6
277.19662	4.6
279.17706	1.2
279.21152	2.0
281.19107	1.7
283.20605	15.0
284.15820	1.4
285.16187	1.8
286.19357	2.0
287.17633	1.9
287.20255	3.6
289.19531	4.1
290.20255	1.7
291.17697	1.8
291.21112	3.7
293.19034	1.8
295.20676	3.3
297.22232	3.9
301.19418	2.6
307.20648	1.5
309.22180	1.6
311.17755	1.3
317.22415	2.0
321.22263	1.2
329.22556	1.7
331.24042	6.2
333.22159	1.7
343.24448	2.0
347.23663	2.0
348.24359	1.3
349.25299	7.3
352.24078	1.7
357.25677	1.5
365.24759	1.5
375.26944	6.4
385.28708	1.6
403.29922	6.8
434.88498	1.2
465.32019	1.3
491.35303	6.0
503.34750	5.5
527.34930	1.4
547.39227	2.3
565.40405	20.9
577.87372	1.3
583.41595	100.0
584.41943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.2
52.29522	1.0
53.03934	2.9
55.01860	1.5
55.05513	9.3
57.07075	6.2
59.04996	2.8
61.99300	0.8
65.03937	2.9
67.05509	17.2
68.69358	0.9
69.03438	5.6
69.07069	10.3
69.21536	7.5
69.21953	1.6
71.04984	1.4
76.65115	0.9
79.05495	16.0
81.07060	22.5
81.08660	0.8
83.04967	4.5
83.08603	6.2
85.02204	0.8
85.06541	3.8
91.05484	26.1
93.07047	36.3
95.04949	7.1
95.08613	23.4
95.09093	0.5
97.06535	5.0
97.10187	0.9
103.05473	2.3
104.06283	0.9
105.04567	1.3
105.07034	44.7
105.13231	1.1
107.07863	1.9
107.08599	31.8
109.06537	7.6
109.10160	15.9
111.08093	1.7
111.11796	1.0
115.05453	3.5
116.06261	1.3
117.07030	11.5
119.08586	53.4
121.06523	4.2
121.10147	34.3
123.08071	12.2
123.11712	5.0
125.05995	1.6
125.09646	2.7
128.06203	8.4
129.07019	11.1
130.07771	4.6
131.08577	21.9
133.06509	2.4
133.07510	1.0
133.10136	26.2
135.08107	5.0
135.11691	10.2
137.09604	7.4
137.13309	1.1
139.11192	2.9
141.07028	5.1
142.07809	13.0
143.08571	24.1
144.09326	5.0
145.10132	36.9
147.08070	8.0
147.11693	11.7
149.09636	6.7
149.13263	3.2
151.07533	11.9
151.11154	1.0
153.07051	3.0
154.07808	2.5
155.08560	12.2
155.10648	1.3
156.09343	10.5
157.10141	34.8
158.10948	5.5
159.08099	4.4
159.11705	20.2
159.96184	0.9
161.09627	5.4
161.13239	4.9
163.11197	3.7
165.06999	3.4
165.09140	10.8
166.07829	2.5
167.08578	7.5
167.10666	18.5
168.09372	4.3
169.10130	15.5
170.10919	5.7
171.11696	23.4
172.08887	1.0
173.09706	3.0
173.13286	11.9
175.11206	3.3
175.14796	6.2
178.07852	1.6
179.08562	9.9
179.10043	1.2
179.10696	1.0
180.09395	4.4
181.10124	10.7
181.12143	4.7
182.10939	5.9
183.11708	15.5
184.12520	3.4
185.09660	1.1
185.13257	13.6
187.11266	1.8
187.14847	5.9
189.12773	5.7
191.08702	1.4
191.14311	5.2
192.09404	3.4
193.10149	11.1
194.10907	6.7
195.11705	15.2
196.12500	4.0
197.13248	15.4
199.11252	1.1
199.14810	11.3
201.12758	2.1
201.16328	2.3
203.08485	0.9
203.14259	6.1
203.15981	0.9
205.10147	3.2
205.15909	1.6
206.10941	4.3
207.11739	12.8
207.13805	7.1
208.12511	5.7
209.13277	18.4
209.15193	1.2
210.14049	3.3
211.11238	1.5
211.14851	8.0
212.15712	1.3
213.12810	2.3
213.16422	3.2
215.14381	3.8
217.10226	2.6
217.15837	5.6
218.10930	1.7
219.11694	5.2
220.12485	5.1
221.13263	11.7
221.15422	22.6
222.14079	3.1
223.11256	1.6
223.14851	10.5
224.15573	1.2
225.12860	1.4
225.16330	4.8
227.14380	2.1
227.17995	1.1
229.15903	1.5
230.11052	1.1
231.11717	2.8
231.17404	1.3
232.12508	3.0
233.13635	7.2
233.15439	7.1
234.14073	2.8
235.14853	9.6
235.17012	1.3
236.15614	2.4
237.12801	1.3
237.16402	5.7
239.18011	3.3
241.19478	1.2
243.11752	2.1
244.12416	1.5
245.13263	4.8
246.14009	2.2
247.14867	6.1
247.17078	1.4
248.15652	2.3
249.16428	6.4
251.17931	5.4
253.15950	1.5
253.19543	2.0
255.17508	1.7
257.13278	2.3
257.18942	4.5
258.14047	1.8
258.31528	0.9
259.14865	4.6
259.17157	1.1
260.15665	2.7
261.16394	4.3
262.17224	1.6
263.17926	6.7
265.19495	5.7
267.17587	1.4
269.13239	1.0
269.19040	4.5
271.14932	2.9
271.20651	1.9
272.15594	1.1
273.16431	3.8
274.17325	1.5
275.17847	7.1
277.15961	1.1
277.19531	3.3
279.21191	1.9
281.18994	2.9
283.14914	1.6
283.20563	10.9
285.16180	1.9
287.17929	2.8
289.19470	2.6
291.17361	1.1
291.21063	1.3
293.19147	1.9
293.22470	1.2
295.20667	3.7
297.22104	2.3
299.20474	1.1
301.19385	2.1
302.20477	1.2
303.21176	1.4
307.20874	1.3
317.22876	1.7
321.22183	1.5
329.22662	1.6
331.24182	2.5
333.22131	1.9
335.23849	2.2
341.22900	1.0
345.22012	1.3
347.23645	1.4
349.25336	5.5
357.25961	2.1
361.25320	2.7
365.24939	1.3
375.26895	3.7
385.29099	1.2
403.30029	6.1
427.29926	2.2
443.29269	1.4
491.35037	3.5
503.35199	1.3
509.34201	2.4
525.38318	1.1
527.34967	1.4
547.39282	5.1
565.40399	19.6
583.41498	100.0
584.40503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.03939	2.7
54.10967	1.2
55.05258	1.4
55.05508	12.6
56.96559	2.4
57.02567	0.9
57.07082	8.1
59.04985	2.8
65.03934	3.1
67.05508	19.4
67.48608	1.1
69.03423	7.4
69.07067	14.9
69.26692	6.0
69.27109	3.2
77.03918	1.7
79.05491	21.1
81.07063	24.9
83.04983	6.0
83.08629	6.2
85.06549	7.3
91.05482	34.1
93.07043	40.1
95.04971	7.7
95.08607	31.8
95.09229	1.1
97.06528	4.3
97.10151	0.9
98.21490	2.8
98.97560	2.3
102.38560	0.9
103.05480	3.1
105.04504	1.9
105.07034	56.5
107.04943	1.2
107.08596	34.3
107.09306	2.3
109.06522	5.9
109.10165	16.8
109.10851	1.8
111.08083	3.0
115.05457	4.1
116.06244	1.2
117.07038	11.8
119.08579	63.9
121.06526	4.9
121.10145	34.3
123.08060	16.0
123.11730	5.6
125.06008	2.5
125.09650	1.4
128.06207	9.1
129.07016	13.1
130.07809	5.7
131.08572	26.5
133.06476	2.9
133.10129	31.0
135.08072	7.2
135.11699	11.5
137.09613	11.2
139.11214	1.7
141.07013	7.2
142.07784	20.3
143.08566	30.2
144.09386	6.2
144.61757	1.0
145.10124	36.6
147.08046	17.0
147.11705	11.2
149.09613	4.3
149.13217	2.4
151.07552	16.0
151.11198	1.8
153.06984	2.8
153.09134	1.7
154.07773	3.1
155.08553	14.9
156.09360	17.8
157.10133	41.2
158.10910	6.5
159.08066	4.2
159.11690	19.1
160.12482	1.0
161.09660	3.9
161.13239	6.2
163.11194	6.5
165.06993	4.5
165.09134	26.7
166.07817	2.5
167.08562	10.2
167.10684	8.4
168.09334	6.5
169.10117	22.8
170.10893	7.5
171.11693	25.8
172.12518	1.3
173.09714	2.5
173.13264	17.8
175.11238	3.1
175.14828	7.2
177.09119	1.6
177.12817	1.3
179.08583	10.6
180.09329	5.9
181.10095	11.7
181.12277	5.2
182.10912	7.5
183.11697	22.3
184.12515	3.8
185.04831	2.2
185.09695	1.7
185.13266	15.5
187.11226	2.5
187.14845	6.6
189.12779	4.1
191.08582	1.8
191.14371	6.8
192.09390	4.1
193.10106	12.2
194.10875	10.1
195.11685	15.8
196.12511	5.2
197.13263	18.4
198.14038	1.9
199.11188	1.3
199.14818	11.4
199.16418	1.7
201.12793	2.3
201.16380	2.3
203.05991	3.3
203.08545	1.4
203.14317	15.2
205.10150	3.8
206.10846	5.7
207.11736	15.4
207.13826	7.5
208.12514	5.5
209.13284	22.7
209.15335	2.6
210.14005	3.5
211.11363	1.2
211.14880	9.0
212.15750	1.1
213.12639	1.2
213.16425	3.8
215.14297	1.6
217.10135	2.8
217.15898	5.8
218.10838	2.4
219.11691	6.1
220.12421	5.4
221.13269	13.4
221.15414	59.0
222.14082	4.7
223.14818	11.0
224.15675	1.9
225.16400	4.7
227.14389	2.6
229.10109	1.5
230.10858	1.4
231.11745	4.9
231.17322	2.5
232.12540	4.5
233.13266	8.2
233.15480	2.9
234.14056	4.1
235.14815	11.9
236.15622	1.8
237.16437	7.0
239.14308	1.2
239.17979	3.7
241.15912	1.8
243.11668	2.4
243.17563	1.6
244.12584	1.7
245.13307	6.9
245.18929	1.2
246.14088	3.7
247.14784	8.5
247.16949	1.6
248.15590	2.0
249.16414	5.7
250.17310	1.2
251.18021	4.2
253.16190	1.2
253.19504	2.1
255.17409	1.3
257.13348	1.6
257.19003	7.2
258.14157	1.8
259.14816	4.9
260.15628	3.7
261.16342	6.7
263.17972	5.6
265.19479	5.3
269.19034	2.7
271.14810	1.5
271.20682	2.4
272.15607	1.7
273.16483	4.4
274.17007	1.2
275.17941	9.7
277.19592	3.5
281.19037	3.2
283.20566	11.2
286.19559	1.5
287.17596	1.6
287.20227	3.2
289.19595	3.7
293.18973	2.3
295.20679	3.0
297.22217	5.0
299.20163	2.3
300.21036	1.6
301.19342	2.0
303.20990	2.0
307.20529	1.1
309.22318	1.5
319.20612	1.1
327.20975	1.3
329.22641	1.5
331.24344	3.8
333.22366	2.1
335.23682	1.7
347.23511	1.8
349.25162	7.0
351.23276	1.5
352.23959	2.0
357.25983	2.5
359.23755	1.3
361.25125	1.4
365.24741	2.2
375.26907	5.4
403.29987	6.9
491.35190	2.5
503.35315	5.1
509.34067	1.8
547.39502	3.7
565.40436	24.8
583.25995	5.8
583.41467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03953	1.0
55.05507	5.0
57.07076	3.6
59.05001	1.9
65.03963	1.1
66.33546	1.0
67.05507	10.9
69.03420	3.5
69.07076	4.4
69.84444	4.1
69.84858	1.7
70.00454	1.0
79.05498	6.7
81.03413	1.1
81.07059	12.8
83.08633	3.0
85.06551	2.6
91.05477	12.1
93.07046	17.5
95.04980	2.6
95.08617	16.7
95.78574	1.1
96.74445	1.0
97.05650	1.1
97.06545	1.2
97.10181	1.2
98.21459	1.5
103.05550	1.0
105.07029	21.3
107.04974	1.8
107.08611	11.5
109.06538	3.4
109.10162	4.9
117.07034	3.9
119.08586	20.7
121.06532	2.2
121.10160	12.8
123.08088	10.0
123.11727	2.1
128.06259	2.6
129.07042	3.5
130.07742	1.7
131.08559	8.3
133.06546	1.7
133.10155	11.1
135.08095	4.7
135.11723	4.3
137.09622	6.3
141.07025	1.9
142.07770	6.9
143.08569	10.7
144.09349	2.2
145.10129	16.4
147.08069	11.8
147.11713	4.0
149.09637	2.1
149.13312	1.4
151.07573	12.5
151.08687	1.5
153.06998	1.4
155.08566	4.8
156.09360	5.9
157.10149	18.6
158.10936	2.9
159.07999	2.2
159.11726	10.1
161.09691	2.4
161.13297	3.8
163.11192	3.5
165.09116	20.6
167.08620	2.6
168.09399	1.8
169.10121	7.5
170.10986	2.8
171.11694	10.2
173.09602	2.2
173.13260	5.8
175.11214	1.7
175.14793	2.6
179.08653	3.4
180.09421	1.8
181.10152	3.9
181.12263	1.9
182.10992	4.0
183.11711	6.3
185.13280	6.6
187.14851	2.8
189.12814	4.0
191.14301	1.8
193.10172	4.4
194.10927	2.3
195.11679	6.4
196.12402	2.0
197.13239	8.0
198.14197	1.6
199.14903	2.3
203.14323	9.8
206.10942	2.0
207.11737	5.3
207.13881	5.1
208.12570	2.6
209.13252	8.5
210.14072	1.9
211.14786	4.9
213.12895	1.3
213.16481	1.6
219.11868	1.4
219.17558	2.8
220.12585	1.9
221.13298	6.8
221.15332	42.7
223.14842	3.7
225.16586	1.7
231.17506	1.6
233.13326	2.5
234.14165	1.5
235.14923	3.7
237.16484	2.8
239.18024	1.7
240.62465	1.3
241.15807	1.3
245.13445	1.3
247.14777	1.3
249.16476	3.1
251.17967	1.7
253.19579	1.5
257.19067	1.7
259.14963	1.5
261.16400	1.3
263.18069	1.7
265.19485	2.2
265.29410	1.2
269.19089	1.7
273.18839	1.4
275.17828	1.3
277.19598	2.2
279.21072	1.2
283.20758	2.8
287.20258	1.6
295.20709	2.8
297.22217	3.7
308.78125	1.1
352.23862	1.7
357.25885	1.8
365.24786	1.6
375.26840	4.9
385.29120	1.3
398.27740	1.0
403.30038	6.9
503.35416	3.4
509.34433	1.5
547.39746	1.8
565.40503	25.4
583.41571	100.0
584.42212	1.8
584.51355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3606
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
52.83967	0.2
55.01852	0.2
55.05510	1.2
55.68032	0.2
57.03421	1.0
57.07046	0.3
65.03916	0.2
67.05505	5.9
69.07063	1.3
71.04963	0.3
71.58238	0.4
79.05488	2.5
81.07059	4.4
83.08595	1.0
91.05475	1.7
93.07043	2.8
94.69556	0.2
95.04973	0.4
95.08059	0.3
95.08601	3.7
97.06532	0.4
105.07001	0.9
107.08568	1.3
109.10162	1.4
117.07001	0.3
119.08549	0.8
121.10137	1.4
130.66689	0.2
131.08522	0.6
133.10080	0.5
135.11687	0.8
145.10085	0.7
147.11656	0.3
149.13318	0.3
163.11148	0.5
173.13225	0.2
249.10979	29.1
305.13556	2.7
335.25656	1.0
379.48523	0.2
500.42172	0.2
583.36011	100.0
584.36700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.2
55.01868	5.6
55.05511	32.2
55.14207	2.9
57.03423	11.5
65.03939	3.5
67.05509	93.7
69.03426	20.1
69.07059	11.7
70.50984	4.8
71.04980	8.8
72.97322	3.1
79.05495	27.7
81.03423	99.8
81.07058	38.6
83.04990	19.9
83.08628	21.2
83.16220	3.1
85.02914	19.3
91.05486	32.3
93.07043	23.5
95.04964	28.0
95.08637	13.1
97.02896	15.2
97.06551	3.1
97.10162	11.6
99.04468	4.0
105.07034	18.6
107.04953	11.7
107.08611	15.6
109.02901	13.2
109.06520	5.2
109.10165	75.9
111.04473	18.9
111.08064	7.9
117.07026	6.4
119.08599	23.0
121.10143	7.9
123.04446	6.3
123.08112	4.5
123.11668	3.1
125.09619	8.7
127.03918	8.7
129.06990	11.0
131.04951	3.8
131.08606	7.0
133.06442	4.3
133.10153	7.9
135.11700	3.5
137.09657	6.9
143.08521	4.6
145.10132	4.4
147.11668	11.5
149.09644	5.5
155.10667	6.4
157.10132	6.3
159.11650	3.2
165.12642	3.1
171.11674	3.0
173.11784	18.7
175.11198	9.4
189.11223	6.5
193.12247	28.4
210.40198	2.5
211.13298	44.4
214.39720	2.6
227.12767	8.2
229.14296	29.2
235.13338	5.4
267.15915	13.4
273.15042	3.2
277.14435	6.8
285.16968	5.0
299.14969	10.2
299.45050	2.7
301.14383	6.5
309.17035	3.9
331.17603	4.6
337.16553	3.7
351.17935	6.5
355.17511	10.0
373.18317	3.6
375.18106	4.0
393.19138	3.2
403.24365	3.3
421.25696	15.9
439.26907	24.2
463.27173	4.0
505.28055	10.9
529.28186	8.3
547.28699	6.8
565.29901	16.1
583.31122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2178
Annotation	buddlenol A
Peak:m/z	Relative Intensity
50.05651	1.4
53.03952	2.9
54.65731	1.2
55.01884	1.7
55.05513	3.5
56.63857	1.2
57.03437	2.3
60.36916	1.4
65.03950	4.3
67.05515	10.6
69.03438	8.2
69.07086	1.7
69.93137	1.2
70.07608	5.0
70.07956	1.7
71.04985	1.9
76.51711	1.2
78.04708	1.6
79.05490	9.7
81.03423	18.7
81.07062	7.1
83.04977	3.2
83.08624	2.1
85.02892	4.0
91.05492	12.9
93.07040	8.1
94.04189	3.9
95.04989	7.9
95.08621	4.1
97.02902	2.3
97.06508	1.9
97.10161	1.5
98.97581	1.7
99.04417	2.5
103.05490	5.4
105.03409	16.0
105.07043	14.4
107.04960	16.2
107.08600	5.0
109.02885	4.6
109.06504	1.4
109.10168	6.1
111.04426	2.4
115.05463	13.5
117.07053	14.9
119.04945	3.4
119.08608	5.0
121.06510	3.2
121.10150	4.9
122.03648	9.9
123.04410	7.3
123.11722	1.7
124.05215	2.4
125.05988	1.4
127.03940	3.7
128.06261	2.2
129.07027	3.1
131.04912	5.2
131.08583	3.7
131.38930	1.3
133.02841	2.0
133.06503	8.6
133.10147	2.9
135.04449	1.7
135.08011	1.7
137.05986	100.0
138.03207	1.4
143.05003	2.8
143.05991	1.9
144.05679	3.5
145.06483	19.0
147.04422	11.0
147.08090	5.5
147.11655	2.1
148.04771	1.7
149.05992	4.1
151.03944	14.8
151.07561	3.8
152.04617	1.9
153.05469	4.7
155.06061	4.2
156.05717	3.0
157.06511	3.3
159.08038	2.7
160.05211	2.8
161.06007	15.2
163.03912	1.5
165.05392	1.9
167.07043	79.3
172.05168	2.4
173.05968	14.1
175.07521	7.8
177.05463	6.4
179.07074	5.9
181.04987	14.2
181.06592	3.9
181.08582	2.7
187.07568	5.5
189.05443	3.3
190.06264	3.8
191.07028	6.6
193.08678	10.8
193.12177	3.3
195.00549	17.4
195.06528	2.9
197.01245	3.6
197.06085	1.6
203.06995	4.3
205.06746	2.3
205.08589	17.0
207.06525	13.5
207.10135	3.7
209.08150	2.3
211.07658	2.4
211.13342	3.4
215.06903	1.7
217.08607	9.3
219.06564	1.5
219.10173	5.9
221.08076	3.3
223.09669	2.5
225.05362	2.3
226.06229	2.9
227.07085	2.3
233.08099	5.1
235.07573	2.2
235.09641	22.7
237.11218	1.7
239.07263	1.5
240.07846	2.0
241.08722	8.0
241.76952	1.3
243.10208	1.5
247.07585	2.1
247.09798	2.8
248.08171	1.6
251.07010	2.3
254.05724	2.0
254.36986	1.7
255.06595	1.8
257.08139	4.0
264.07648	2.3
268.07321	3.1
269.08115	4.4
271.06018	5.7
276.07813	2.2
278.09448	1.7
283.09592	2.1
287.05536	2.9
289.10696	5.7
293.08276	1.8
294.05081	1.4
295.09683	3.7
297.07526	2.8
301.10782	6.5
305.04388	2.4
305.08051	2.3
305.11490	1.6
306.08954	1.7
307.09799	3.6
309.07687	1.5
313.07266	1.9
313.10709	3.0
314.07825	2.3
315.08875	1.5
319.09760	2.3
321.11160	2.1
323.09091	2.7
327.12112	1.7
329.10260	17.4
331.11853	4.7
333.11151	2.0
335.09222	2.3
337.10638	2.1
339.12280	2.6
347.09164	1.7
351.12247	4.6
353.10034	2.3
353.14304	1.8
355.11789	3.5
357.13333	2.5
363.12213	2.7
367.11453	1.6
369.13416	5.0
371.14926	1.9
373.12970	2.0
378.10944	1.6
381.13364	5.8
383.14886	3.4
385.12698	4.8
387.14276	7.2
393.13403	3.2
395.14490	1.8
397.12924	1.8
399.14331	5.2
411.14471	6.6
423.14249	1.8
427.07700	3.8
429.15302	3.8
439.26920	2.4
441.15292	6.3
459.16589	21.3
535.19678	3.5
547.19556	7.6
553.20789	11.4
565.20715	19.3
565.28687	2.6
583.11957	30.6
583.21722	26.3
583.30682	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	583.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01855	2.2
55.05496	4.2
56.96556	1.8
60.47869	1.4
65.03923	4.0
67.05503	10.7
69.03416	5.1
69.07051	3.8
71.04982	2.5
71.55016	2.2
78.04697	2.0
79.05486	11.3
81.03420	17.3
81.07055	13.1
83.08598	2.6
85.02930	3.4
91.05482	19.8
93.07047	10.9
94.04183	3.6
95.04973	4.9
95.08608	4.7
97.02869	3.2
97.06504	1.8
97.10133	2.4
99.04463	1.9
99.53466	1.3
103.05455	5.2
105.03410	9.6
105.07025	15.4
107.04958	13.6
107.08586	8.3
109.02869	4.5
109.06513	2.0
109.10169	11.6
111.04487	3.6
111.08034	1.5
115.05453	15.9
117.07014	12.1
119.04944	17.5
119.08575	8.7
120.05299	4.7
121.06554	2.5
121.10144	5.3
122.03657	9.5
123.04446	8.7
123.08039	1.9
123.11720	2.8
124.05238	2.4
125.05963	2.7
125.09622	1.6
127.03924	5.3
128.06241	1.9
129.07002	4.2
131.04904	6.4
131.08540	3.1
132.05695	2.0
133.02806	1.4
133.06514	8.9
133.10104	4.5
135.04424	3.2
135.11729	7.5
136.01257	1.5
137.05983	91.1
143.04893	2.4
143.05980	1.9
144.05655	3.2
145.06490	15.7
145.10133	1.7
147.04414	100.0
147.08041	5.1
147.11716	3.2
148.04741	35.0
149.06081	2.3
151.03899	13.5
151.07561	2.4
153.01846	2.3
155.06050	4.5
156.05762	1.5
157.06512	1.4
159.08020	3.1
160.05144	2.1
161.05971	16.1
161.09628	1.6
161.13159	2.3
162.06758	1.6
163.07506	1.8
165.05510	8.1
166.05908	1.4
167.07045	83.1
167.28378	1.4
169.06528	2.2
172.05165	1.7
173.06020	14.9
175.07539	7.0
177.05457	5.3
179.07036	4.9
181.04990	12.2
181.06413	3.1
181.08578	3.3
181.35052	1.4
187.07556	4.2
190.06195	2.0
191.07039	3.5
193.08629	6.8
195.06487	2.9
203.06984	3.5
203.17969	2.9
205.05031	1.9
205.08582	17.7
207.06534	10.1
207.08286	2.2
207.10201	5.4
208.05312	2.5
211.07576	1.8
211.13200	3.0
215.06892	2.0
217.08630	6.4
219.10172	4.3
221.08109	4.1
221.18982	2.4
222.19402	1.6
225.05446	1.6
226.06201	3.4
227.06937	1.6
233.08080	5.7
234.06752	1.6
235.07565	2.0
235.09630	23.8
237.11098	2.1
240.07933	2.6
241.08611	4.8
245.07942	1.7
247.07458	1.8
247.09892	1.8
257.07999	3.2
260.08417	1.6
265.08536	2.1
268.07312	2.2
269.03641	1.6
269.08017	4.2
271.05997	4.5
272.06259	3.2
273.06546	5.7
274.06680	2.7
275.06992	3.4
276.07779	1.8
277.08481	3.0
278.09622	1.7
279.10284	1.9
287.05511	2.6
289.10925	2.6
292.08536	1.6
293.07953	2.7
295.09799	2.1
297.07690	2.5
301.10822	6.9
303.05020	4.4
305.08081	2.0
307.09616	2.9
309.09778	8.2
310.09833	5.0
313.10663	2.7
319.09503	2.1
323.09100	3.1
327.12198	2.6
329.10248	14.3
331.11752	5.5
333.11169	2.2
335.09171	1.9
335.12878	1.9
337.10730	4.6
339.12192	2.3
343.11624	2.1
345.07663	1.7
351.12366	4.8
353.13818	2.0
355.11606	2.8
357.13327	2.3
361.10693	1.8
367.11795	2.0
369.13321	3.5
373.12744	2.6
381.13330	6.4
383.15002	2.7
385.12683	3.6
387.14490	6.7
393.13208	2.0
397.12698	2.3
399.14484	4.9
411.14441	5.4
429.15326	2.9
441.15338	4.4
459.16559	21.8
517.18365	1.6
535.19885	1.9
547.19421	6.3
553.20856	7.7
565.20764	18.0
583.20917	21.0
583.31165	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	582.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
59.89571	0.5
65.03938	1.0
67.05505	2.3
69.03429	0.7
69.07055	1.3
69.84400	1.9
71.04993	2.1
76.03796	0.5
79.05499	2.6
81.03435	2.3
81.07063	9.9
85.02897	0.6
91.05490	6.6
93.07056	3.4
95.04944	0.5
95.08607	2.6
97.06557	0.6
99.08093	0.8
105.07040	4.7
107.08597	5.7
109.02927	0.5
109.10165	3.4
117.06967	1.0
119.04946	13.2
119.08582	8.6
121.10154	1.5
123.11715	1.6
127.03914	0.5
127.11237	3.5
131.04904	0.7
133.10147	4.1
135.11705	7.3
141.72066	0.5
143.10699	0.6
147.04417	100.0
147.11676	2.9
148.04733	0.8
149.13287	0.7
153.12772	0.8
158.98010	0.4
159.04425	0.8
161.13261	1.0
163.14777	0.4
165.05566	2.5
177.05487	0.8
203.17957	5.8
203.19725	0.6
221.19022	5.0
231.18417	0.5
255.94322	0.4
309.09637	3.4
349.21588	0.6
367.22726	1.3
449.28506	0.5
582.32678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.3
55.01863	3.4
55.05267	2.4
55.05512	31.0
57.03440	21.8
57.07066	6.2
65.03935	3.8
65.07081	1.7
67.05509	65.9
69.03428	3.9
69.07070	28.1
71.04980	5.0
79.05067	2.9
79.05495	37.9
81.03423	64.4
81.07060	75.6
83.04977	20.6
83.08620	34.2
85.02909	20.9
85.06530	3.3
91.05487	39.5
93.07043	31.4
93.79530	1.6
95.04966	31.8
95.08612	51.2
97.06525	7.2
97.10186	10.4
103.71344	2.1
105.07039	30.7
107.04931	5.7
107.08617	16.8
109.06509	6.7
109.10157	16.6
111.08099	9.3
113.05978	2.7
115.05491	2.9
119.08580	21.5
121.10151	14.1
123.11690	7.7
125.09619	4.3
129.07002	12.1
131.08560	14.5
133.10143	17.7
135.11688	6.3
137.09618	3.5
137.13248	2.5
142.07776	2.7
145.10123	3.4
147.08099	1.9
147.11690	18.6
149.09596	7.3
149.13249	2.9
157.10130	13.7
161.13252	3.3
165.12764	3.6
175.11162	15.6
193.12248	50.8
211.13293	85.1
229.14310	1.7
237.65186	1.8
251.12556	2.1
263.23810	4.1
267.15936	21.5
285.16974	83.2
337.27371	100.0
491.42627	2.3
520.25281	1.9
529.38617	7.5
547.40027	77.6
582.40601	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1784
Annotation	Curtisian M
Peak:m/z	Relative Intensity
50.01592	0.5
51.02370	0.5
53.03745	0.3
53.03951	3.7
55.01852	0.3
55.05497	0.2
67.05499	1.0
68.19801	0.3
69.03432	12.1
71.57432	0.4
77.03931	1.2
79.05496	2.0
81.03422	1.4
81.07072	0.4
85.02918	0.9
87.20940	0.3
91.05478	0.6
92.71665	0.3
93.07054	0.5
95.04976	3.8
95.08659	0.3
97.02895	2.5
99.04482	0.9
105.03395	100.0
106.03751	0.6
107.04959	9.9
107.08577	0.4
107.82344	0.3
109.02871	1.1
109.10162	0.7
119.08601	0.5
121.10131	0.5
123.04440	0.9
127.03922	7.3
129.03156	0.8
130.03952	0.4
131.04935	0.4
133.02606	1.0
135.04181	6.2
137.05986	1.3
145.02652	0.3
145.04936	0.3
146.03146	0.3
147.04515	0.6
147.11794	0.3
149.05759	3.8
161.02130	0.8
167.03206	0.7
167.07025	0.7
169.04745	0.6
179.03162	23.7
193.04729	9.0
211.05742	3.3
216.03471	0.3
231.06528	0.3
241.08322	1.5
245.89194	0.3
249.07710	0.6
255.09999	1.0
267.08710	0.8
271.06021	0.3
289.06839	15.1
295.15735	0.3
301.07037	0.3
387.14346	0.4
395.10974	2.1
413.12094	1.3
423.74127	0.3
427.13641	0.6
445.11661	0.3
471.12662	0.4
507.16422	1.0
521.17896	1.1
551.15265	27.8
552.15668	0.5
565.16779	23.3
566.17053	0.4
583.17871	92.7
584.17981	0.8
604.24219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93472	0.3
53.03943	0.6
55.05509	1.1
57.03445	0.4
65.03941	1.3
67.05519	1.9
69.03422	1.0
69.07074	2.0
69.27455	2.7
70.72732	0.3
71.05005	2.7
74.17814	0.3
79.05492	2.5
81.03419	0.8
81.07061	12.2
83.08613	0.7
84.56587	0.3
84.68459	0.3
85.02901	0.9
91.05486	9.1
93.07048	4.9
95.08609	3.2
97.02908	0.8
97.06554	0.4
98.21452	0.5
99.08103	0.6
103.05476	1.4
104.05821	0.8
105.07037	5.3
106.98927	0.3
107.04979	0.5
107.08603	6.8
109.02901	0.5
109.06609	0.3
109.10169	4.6
113.89017	0.3
119.04949	20.0
119.08591	10.6
119.09455	0.4
119.45570	0.3
120.05226	0.4
121.10120	1.8
123.11718	2.1
125.09638	1.2
127.11184	4.0
131.04938	5.0
131.08504	0.4
132.05278	2.3
133.10136	6.5
135.11705	14.8
137.09618	0.4
137.13254	0.4
139.11192	0.4
143.10692	3.1
147.04417	100.0
147.11684	3.2
148.04773	1.1
149.05991	0.5
149.13266	0.8
153.12762	0.8
155.16870	0.3
161.13268	2.2
163.14864	0.4
165.05475	1.8
175.14854	0.4
177.16428	0.4
196.66365	0.3
203.17961	10.5
203.19757	0.6
221.19009	14.2
251.26202	0.3
309.09647	3.1
377.98199	0.3
511.65036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05507	1.6
56.96554	0.7
57.07066	0.6
62.28640	0.4
65.03937	1.3
67.05496	1.7
69.03434	0.6
69.07061	1.6
70.14597	1.7
70.14954	0.6
70.41637	0.4
71.05005	2.5
74.86936	0.4
79.05499	3.7
81.03409	1.4
81.06580	0.9
81.07058	14.0
83.04987	0.7
83.08620	1.0
85.02900	1.1
91.05484	10.5
93.07040	4.8
95.04980	0.7
95.08610	3.7
97.02923	0.8
97.06510	1.0
97.10157	0.5
98.97584	0.8
99.08115	0.6
103.05493	0.9
105.07041	6.6
107.04946	1.2
107.08604	6.8
109.10164	5.1
117.07045	0.5
119.04951	18.2
119.08595	10.3
121.06470	0.5
121.10146	1.5
121.34949	0.5
122.96043	0.4
122.97612	0.4
123.11736	2.8
125.09631	1.1
127.11208	3.6
131.04921	3.2
131.08600	0.5
132.05286	1.2
133.10133	6.5
135.11697	14.5
137.13251	0.5
139.03989	0.6
143.10649	2.3
145.10129	0.7
147.04416	100.0
147.11684	3.7
148.04826	0.7
149.13290	1.1
151.11147	0.6
153.12749	1.3
161.05972	1.4
161.13283	1.9
163.11163	0.6
165.05536	1.4
191.14290	0.5
193.08592	0.8
197.13437	0.4
203.17975	10.1
205.19521	0.5
221.19012	15.0
229.14247	0.5
259.71933	0.5
287.05621	0.5
302.07455	0.5
309.09695	2.6
582.30048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26654	3.4
53.03953	3.7
55.01865	5.0
55.05521	20.4
57.03432	7.0
57.07060	14.2
67.05177	4.7
67.05510	74.2
69.07061	28.9
69.36806	32.4
71.04967	4.4
71.08607	8.5
79.05483	31.1
81.03410	4.9
81.06588	5.8
81.07054	98.6
83.08631	19.9
85.06557	6.4
91.05493	30.7
93.05546	3.7
93.07038	36.4
95.08611	74.8
97.06519	11.9
97.10179	17.6
98.20791	6.4
99.08079	6.6
105.07038	20.5
107.08595	25.2
109.02860	7.5
109.10162	44.5
110.03652	4.0
111.08013	3.7
117.07069	3.6
119.08588	27.7
121.10145	32.9
123.08070	4.1
123.11677	19.7
127.03923	4.1
129.06952	4.3
131.08571	6.6
133.10106	39.4
135.08043	4.0
135.11696	15.5
137.09619	5.8
137.13284	9.0
140.67741	3.1
141.12718	4.1
143.08540	4.4
145.10120	8.0
147.11671	14.2
149.13257	19.3
151.14857	8.6
155.08690	3.8
157.10121	8.8
159.08034	4.2
159.11717	4.7
161.13242	15.3
163.14787	10.4
165.09134	4.4
165.16357	9.9
167.10660	9.7
167.14394	3.4
171.11679	5.0
173.13272	6.1
175.14850	12.3
179.17941	8.6
183.11676	3.8
185.13266	4.3
189.16422	5.4
195.41133	3.6
221.15291	6.3
233.15457	4.6
245.22676	57.6
248.09793	3.7
253.65669	4.0
259.14938	3.8
263.23709	100.0
281.24823	4.6
337.27390	51.1
349.38849	3.4
353.26358	4.9
355.27802	8.2
362.91025	3.5
377.30252	3.7
429.63379	4.3
442.45486	3.5
504.52557	3.5
521.21564	5.3
563.29291	7.5
563.38422	10.2
581.27148	3.9
581.39722	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	581.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54479	4.4
53.03948	14.6
55.05274	5.1
55.05516	67.6
60.04259	6.6
60.04531	70.8
61.02920	5.3
61.04861	6.3
65.03941	6.4
67.05511	39.3
69.03430	30.6
69.07075	38.5
69.67222	13.5
69.67632	14.0
70.23739	4.5
71.04989	6.1
79.05489	31.1
81.03440	36.8
81.07060	100.0
83.04961	9.2
83.08618	14.7
85.02924	30.0
85.06551	9.9
91.05478	22.2
93.07047	52.4
95.04987	34.6
95.08606	85.9
97.02887	13.5
97.06516	19.6
97.10175	99.4
98.20696	4.9
99.04469	7.5
105.07042	35.5
107.04972	23.3
107.08614	49.2
109.02888	39.2
109.06504	19.5
109.10149	55.9
111.04440	14.5
111.08088	6.8
117.07052	9.0
119.04962	9.9
119.08596	38.4
121.06490	6.5
121.10164	39.8
123.04443	10.6
123.08051	10.0
123.11696	33.3
125.09623	18.8
127.03918	31.3
129.07001	5.3
131.08546	16.9
133.10112	22.0
135.08069	13.8
135.11685	21.1
137.06003	9.3
137.09615	10.9
137.13286	6.2
139.11156	10.5
141.09102	9.1
143.08551	12.3
143.10669	38.9
145.10156	24.1
147.04422	52.0
147.08028	9.4
147.11711	25.9
148.04739	11.1
149.09634	15.4
149.13261	13.4
151.07597	7.0
151.11162	8.0
157.12137	5.2
159.08064	10.5
159.11662	25.5
161.09540	6.5
161.13263	16.4
163.11186	8.2
163.14752	6.6
167.07013	5.8
171.11609	8.2
171.60880	5.8
173.09604	5.8
173.13284	9.2
175.11113	9.3
175.14862	9.3
177.12735	6.9
185.09596	8.5
187.11195	5.9
187.14838	13.6
189.12694	6.0
191.06841	4.8
203.14343	6.3
211.14838	6.1
215.14308	5.9
229.15720	6.3
303.23154	27.9
314.26950	6.4
315.27249	18.0
321.24234	14.7
332.27872	17.8
333.28308	38.6
411.25174	14.6
429.26416	43.0
435.27356	11.3
447.27466	82.2
453.28409	18.7
465.28491	93.8
483.29443	22.0
581.26093	7.3
581.33881	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01872	3.9
55.05516	18.0
56.96571	2.3
57.03440	2.6
57.07068	3.7
58.28855	1.8
60.04527	13.9
65.03956	1.8
67.05512	12.0
67.16392	2.1
68.99799	2.3
69.03094	2.6
69.03429	14.8
69.07082	18.2
70.42358	1.9
71.05007	6.9
71.57204	4.4
79.05486	11.8
81.03423	15.0
81.07059	44.8
83.04976	5.3
83.08630	5.1
85.02906	9.4
85.06535	5.3
85.82146	1.9
91.05484	19.6
93.07050	24.1
95.04957	9.4
95.08609	29.3
97.02901	5.8
97.06528	8.1
97.10178	23.2
98.97583	3.8
99.04462	3.4
99.08089	4.7
105.03384	4.9
105.07029	21.8
107.04955	14.0
107.08583	21.7
109.02869	12.6
109.06512	5.7
109.10151	19.4
111.08095	7.0
112.81802	2.2
117.07012	4.1
119.04932	17.4
119.08601	13.1
121.06519	2.6
121.10148	15.4
123.04441	5.7
123.08066	3.6
123.11720	21.7
125.09617	7.7
127.03930	13.9
131.04922	4.5
131.08583	6.9
133.06541	2.4
133.10127	22.3
135.08096	4.5
135.11710	11.8
137.05981	7.9
137.09610	3.0
139.03909	2.8
139.11183	6.0
143.10663	8.4
145.02806	2.7
145.10149	8.5
147.04416	100.0
147.11693	12.2
148.04723	3.3
149.05937	2.8
149.09731	2.7
149.13251	5.2
151.03897	2.4
151.11214	6.9
153.01868	3.6
153.12717	3.7
157.10181	3.7
157.12291	2.8
159.11775	9.8
161.05988	2.6
161.09601	4.5
161.13274	6.8
163.03998	4.1
163.07516	2.9
163.11226	6.5
165.05473	4.0
165.09129	2.6
167.07021	9.8
173.13287	4.5
177.05501	6.0
177.12776	2.3
179.03346	2.2
181.04913	4.6
201.16425	3.3
205.15799	2.7
208.70235	2.2
209.08070	3.1
219.17432	4.0
237.18486	3.8
271.06009	29.9
285.22147	2.8
303.23215	14.1
309.09793	8.5
310.10184	2.5
316.02686	2.8
321.24338	9.1
333.28357	7.3
339.25299	2.7
363.25589	2.4
405.21768	2.3
429.26453	11.1
447.27441	16.8
465.28558	19.2
470.17813	2.4
477.13062	2.0
483.29306	11.1
581.25763	7.5
581.33179	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	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
54.81388	0.5
55.01863	2.3
55.05511	15.8
56.05851	0.6
57.03192	0.8
57.03440	10.1
57.07082	2.8
59.05003	0.7
65.03920	2.4
66.43763	0.6
67.05506	44.3
68.05833	1.1
69.03420	1.5
69.07069	20.6
69.29670	5.5
70.07428	0.6
71.04980	2.5
71.08630	1.6
73.02898	0.6
77.03913	0.6
79.05493	22.6
80.05819	0.6
81.03410	2.5
81.07056	46.4
82.07401	1.0
83.04980	4.0
83.08154	0.9
83.08620	13.3
85.06528	1.0
91.04977	0.9
91.05485	14.1
92.05843	0.7
93.07047	30.7
94.07348	0.8
95.04974	5.6
95.08606	46.6
96.08910	0.9
97.02895	1.5
97.06522	4.4
97.10156	5.8
98.10527	0.8
99.04450	2.5
99.08036	0.7
105.04550	0.6
105.07031	11.4
106.07387	0.8
107.04964	5.2
107.07872	1.1
107.08595	19.9
108.08928	0.6
109.06510	2.1
109.10154	11.3
111.08102	1.5
111.11730	0.8
117.07021	5.1
119.08586	11.2
120.08929	0.6
121.06501	4.0
121.10142	11.8
121.10999	0.5
122.10489	0.7
123.08068	0.8
123.11716	3.8
125.05994	1.7
125.09599	1.6
129.06958	0.8
131.08562	2.6
133.10130	6.7
133.27899	0.5
135.08058	1.1
135.11693	28.5
137.13254	1.5
139.07530	0.8
145.10120	17.9
146.10545	1.0
147.11681	3.1
149.13258	2.0
151.14832	0.6
153.12669	0.9
156.50943	0.6
161.13237	1.8
163.11183	32.2
163.14847	1.3
169.55267	0.6
173.09669	0.7
175.14795	1.4
177.12785	0.6
181.12244	4.4
187.14853	0.9
199.14850	0.8
209.11731	0.7
227.12778	45.1
245.22691	1.5
263.23758	2.2
267.15936	1.4
276.55841	0.5
283.15393	35.2
285.16956	1.6
324.81897	0.6
335.25870	2.4
337.27365	100.0
338.27655	1.6
343.86954	0.7
357.08997	0.6
378.47089	0.5
438.34616	1.4
456.35645	1.1
474.36273	0.8
512.38367	0.7
530.39264	7.1
545.38379	61.1
545.99860	0.6
548.40295	3.8
562.37744	1.1
580.38495	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84520	1.6
53.03938	4.8
53.08813	1.8
55.01867	2.6
55.05515	18.4
57.03439	16.0
60.36235	1.7
65.03951	2.5
67.05505	48.9
69.03429	4.4
69.07073	11.7
71.05004	3.1
79.05068	2.3
79.05499	34.5
79.05965	2.1
80.92466	1.5
81.03420	41.9
81.07058	48.4
83.04997	11.0
83.08619	16.8
85.02897	16.1
91.05478	29.0
93.07049	36.0
94.07343	2.0
95.04968	24.8
95.08612	36.6
97.02930	1.5
97.06494	2.7
97.10160	5.1
99.08089	1.7
99.10136	1.7
105.07038	15.9
107.04951	3.5
107.08596	16.8
108.08878	1.5
109.06492	3.4
109.10151	11.1
111.04448	1.8
111.08093	5.5
117.07020	4.4
119.08580	19.0
121.06547	1.8
121.10146	17.5
123.11700	3.9
129.06998	6.2
131.08566	10.9
133.10117	7.8
135.11697	8.8
137.09604	1.8
142.07735	1.5
145.10133	4.4
147.11673	9.9
149.09624	4.9
149.13263	2.2
155.69470	1.5
157.10114	7.5
159.11722	2.5
161.13243	1.7
163.11244	1.5
165.12849	2.3
168.91675	1.5
172.52287	1.5
173.13211	2.4
175.11172	10.1
193.12230	30.3
200.03520	1.7
211.13289	46.2
227.12843	2.1
228.12985	2.9
243.21179	2.6
261.22089	7.2
267.15869	9.3
283.15329	2.0
284.15759	3.1
285.16983	38.6
317.24817	1.6
335.25803	85.4
336.26111	2.5
337.26318	3.3
380.05276	1.8
527.37128	6.6
545.38348	100.0
580.37781	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	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	7.9
55.01874	4.6
55.05517	27.1
57.03442	20.7
57.07074	4.0
65.03929	2.8
67.05511	66.7
69.03432	5.7
69.07071	21.6
70.81750	4.7
71.04995	7.0
79.05493	53.5
81.03419	61.5
81.07060	70.6
83.04985	20.9
83.08620	28.3
85.02908	24.7
85.06562	3.0
89.98457	1.6
91.05482	49.7
93.07042	53.0
93.07639	3.1
95.04975	26.3
95.08609	45.9
96.49118	1.7
97.02885	4.0
97.06538	6.8
97.10184	5.3
98.67433	2.0
99.08084	2.1
105.04472	2.0
105.07037	31.8
107.04990	5.1
107.08601	24.9
109.06515	5.8
109.10162	15.5
111.08074	12.0
113.06041	1.8
117.07035	5.6
119.08578	26.6
121.10132	19.5
123.08060	4.8
123.11705	4.6
125.09649	2.1
129.07001	9.8
129.58191	1.8
131.08563	24.1
133.10138	18.1
135.11707	8.4
142.07788	3.9
145.10106	7.5
147.08145	2.4
147.11690	19.0
149.09642	6.2
149.13252	4.0
157.10136	15.4
159.11699	3.9
161.13252	3.1
165.12686	2.1
173.13234	4.0
175.11203	14.5
187.14803	3.2
193.12256	60.3
199.14778	1.8
211.13297	86.4
243.21176	2.3
261.22244	10.3
267.15872	20.1
280.42877	1.8
285.16959	85.4
307.00891	1.5
317.24640	2.0
335.25793	100.0
394.17212	1.4
453.33395	1.8
527.37128	10.9
545.38391	75.9
580.40216	2.1
581.24176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01633	1.2
53.03942	4.2
55.01855	2.6
55.05516	21.9
57.03442	16.3
57.07074	2.0
65.03927	4.2
67.05508	58.7
69.03413	2.8
69.07066	17.4
71.04989	5.4
72.17464	1.5
75.35953	1.3
79.05495	47.9
81.03420	49.8
81.07059	61.6
83.04980	15.1
83.08630	18.3
85.02911	14.9
85.06548	3.1
88.55970	1.3
91.05482	42.4
91.35768	1.3
93.07049	45.9
95.04990	18.9
95.08608	38.6
97.02918	2.1
97.06532	6.5
97.10154	4.8
98.20752	4.8
99.08124	2.0
105.07032	26.8
107.04958	5.2
107.08606	23.8
109.06525	4.0
109.10150	16.4
111.04435	2.0
111.08067	5.7
113.06046	2.4
115.05431	2.1
117.07023	3.9
119.08580	21.6
121.10152	22.4
123.08111	3.7
123.11698	4.8
127.54398	1.3
129.06987	7.0
131.08572	16.2
133.06493	1.8
133.10139	14.5
135.11740	8.9
137.09605	2.1
142.07729	2.7
145.10138	5.0
147.08040	2.2
147.11685	13.6
149.09622	5.4
149.13245	5.4
157.10129	12.2
159.11749	3.6
161.13275	3.8
163.14827	2.4
165.12743	3.2
173.13290	2.8
175.11203	10.8
175.14894	1.9
193.12251	39.3
211.13304	52.9
261.22159	11.4
267.15918	12.2
274.44745	1.4
285.16977	48.6
303.02444	1.4
313.07077	1.6
317.24887	1.6
335.25818	100.0
435.32529	2.6
457.86331	1.8
527.37457	12.9
545.38361	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
53.29697	0.9
55.01854	3.1
55.05519	9.3
57.03445	4.7
57.07065	4.3
57.65683	0.9
61.02910	1.4
65.03954	2.5
67.05508	61.1
69.03414	3.5
69.06786	0.9
69.07074	10.9
69.19806	5.1
69.20245	5.1
71.04980	3.4
71.08620	1.6
73.02904	3.6
79.05498	32.2
81.03423	5.4
81.07059	68.1
82.23888	0.9
83.01305	0.9
83.04983	1.6
83.08624	6.9
85.02895	4.1
85.06531	2.8
91.05487	20.2
92.33946	0.9
93.07047	46.9
95.04980	1.6
95.08610	53.7
97.02885	1.8
97.06528	2.7
97.10156	3.9
98.98471	1.3
99.04453	3.5
99.08066	2.1
103.05493	0.9
105.07037	15.0
107.08595	32.2
109.02890	8.9
109.10163	30.5
110.03630	3.4
111.04467	4.5
111.08081	2.2
111.11754	1.5
113.09687	1.3
117.07025	8.8
119.08590	13.9
121.10148	28.0
123.08041	1.3
123.11716	14.1
125.09616	2.2
127.03922	4.4
129.06969	2.5
131.08578	19.6
132.99551	1.3
133.10135	13.3
135.11700	24.3
137.09572	2.1
137.13260	6.8
139.11163	3.1
143.08522	1.5
143.60043	0.8
145.10138	15.3
147.11691	12.1
149.13252	20.2
151.11201	2.0
151.14824	2.6
153.12744	1.6
155.01038	2.5
157.10156	2.0
159.11697	15.7
161.13258	8.6
163.11160	2.1
163.14835	12.9
165.12729	2.7
169.10126	1.3
171.11673	2.2
173.13263	16.9
175.14821	2.9
177.12704	1.5
177.16397	5.3
179.14282	2.3
187.14806	8.0
189.16371	2.0
191.00075	3.6
191.14226	1.8
193.12193	1.3
201.16402	3.0
205.15851	1.3
215.17909	1.0
233.22665	2.3
241.19606	1.0
243.21091	31.2
258.52722	1.0
259.20746	0.9
261.22156	100.0
263.23709	3.0
271.06085	2.5
275.23389	1.2
277.21667	1.1
279.23267	2.9
303.23236	2.3
317.24557	1.4
335.25815	15.6
337.27505	3.0
353.26889	94.0
369.24292	1.8
377.26895	1.3
389.26730	1.4
417.21533	1.1
433.20419	1.6
443.27658	2.0
451.21530	2.6
469.22620	1.3
543.26868	1.2
561.27063	5.7
561.37152	2.1
579.28217	3.5
579.37054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03931	0.5
55.01860	0.6
57.03419	0.4
57.98804	0.3
61.02932	0.4
65.03917	0.8
67.05484	0.3
69.03429	1.7
69.42776	0.4
69.43185	1.7
73.02907	0.6
78.04706	1.6
79.05478	1.3
81.03401	0.8
85.02905	2.6
91.05464	0.9
92.39092	0.3
95.04972	0.8
97.02881	1.1
97.06561	0.4
98.21500	0.5
98.97587	0.5
100.30591	0.3
103.05468	1.2
105.03388	0.3
106.04182	1.5
107.04935	2.0
109.02882	0.7
110.03680	0.4
114.68348	0.3
115.05453	2.9
117.07027	5.1
123.04435	8.0
124.05202	1.9
125.05936	0.4
127.03923	1.8
127.05428	0.8
131.04906	0.5
134.03641	0.4
135.04436	1.0
137.05968	0.4
139.03903	1.5
142.02623	0.5
143.04851	0.3
145.06480	8.6
147.04382	0.3
147.08044	0.6
149.09766	0.3
151.03915	1.1
152.04716	1.4
153.05424	0.5
155.04903	0.2
155.06047	3.4
161.06021	0.5
163.03900	0.9
165.05519	0.4
167.07040	100.0
168.07263	0.3
171.06520	0.8
173.05984	19.5
175.07559	0.4
179.03430	0.3
181.04964	21.9
189.05463	0.4
191.06998	0.3
201.03815	0.3
201.05528	1.3
203.06989	0.4
205.04959	0.3
205.08606	4.3
207.10129	0.3
221.08086	0.4
233.08073	5.2
235.09657	4.9
237.55440	0.3
247.05927	0.5
271.06113	0.4
287.05566	0.6
289.07361	0.3
291.08752	0.3
304.86142	0.3
387.14383	15.9
399.10617	0.5
409.09061	0.8
417.15445	10.4
579.20734	58.1
580.21222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
51.02384	0.6
53.00353	0.4
53.03945	0.7
55.01869	2.2
56.96568	1.9
65.03950	0.9
65.40729	0.4
67.01869	0.9
67.05504	1.2
68.99789	5.2
69.03428	1.7
69.33953	3.6
73.02919	0.5
77.03951	0.6
78.76286	0.5
79.05503	0.8
81.03426	3.7
83.01341	0.5
83.04994	0.8
83.22543	0.5
85.02907	4.0
89.03926	0.9
91.05457	1.1
93.03374	0.5
95.04977	1.9
97.02892	2.1
98.97588	4.9
99.04453	1.2
104.11964	0.4
104.64306	0.4
105.03416	1.5
107.04955	4.0
109.02883	3.7
110.97604	1.5
111.00800	2.2
111.04445	3.4
112.99148	0.6
115.05405	0.6
116.98612	1.6
117.03362	0.7
119.01929	0.8
119.04941	2.5
121.02859	3.2
123.04434	53.4
127.03920	100.0
128.04295	0.4
128.98628	1.2
130.67854	0.5
131.00165	0.7
131.01910	0.8
131.04929	1.8
133.06534	0.9
135.04417	29.7
137.02327	4.6
137.05978	1.6
139.03906	65.7
141.07021	0.6
143.00140	0.8
143.01877	0.5
143.04929	0.5
145.02711	0.6
145.04898	0.5
145.06517	0.6
145.50401	0.4
145.90530	0.5
146.99731	0.6
147.04398	8.1
149.02328	5.9
149.05960	1.5
151.03915	13.5
153.01892	0.7
155.00214	0.5
155.01949	0.8
155.04919	0.9
157.06509	1.3
158.99696	1.6
159.04407	2.5
161.03058	0.7
161.05974	3.5
163.03906	37.1
165.05478	7.0
167.03415	9.0
169.06480	1.7
170.99677	1.0
171.05125	0.6
173.02948	0.6
173.06000	3.6
175.03934	4.2
175.07599	0.5
177.00702	0.7
177.05478	5.3
179.03458	4.1
181.04970	0.9
181.06436	0.7
183.04543	0.9
185.02957	1.2
185.05994	1.4
187.03885	6.0
189.05464	3.4
191.03395	16.6
193.04945	3.9
194.96364	0.7
197.05951	3.5
201.00800	0.5
201.05481	8.0
203.03404	12.4
203.07066	1.8
205.05029	3.6
207.06528	1.6
209.06165	0.6
211.04451	0.5
213.05602	2.4
215.03401	1.7
215.07066	2.8
217.04985	1.8
219.01758	3.3
221.04977	0.5
225.05569	1.5
229.05009	9.1
231.06505	2.3
233.04491	7.5
237.02811	2.5
237.05237	1.0
241.04958	2.0
243.06606	4.5
245.04507	8.2
246.01003	0.5
247.06044	23.7
251.05644	2.1
253.05069	1.5
255.06509	2.5
257.04456	14.3
258.05124	1.1
259.06009	13.6
261.02847	0.7
269.04507	3.6
271.06021	19.6
272.06610	0.7
273.07553	2.1
275.05511	21.5
279.03827	0.5
281.05161	0.6
283.06073	8.4
285.07422	1.3
287.05505	28.4
289.07065	15.4
291.08630	12.1
297.07742	0.7
299.05566	5.0
301.07065	22.4
303.08649	3.6
311.05621	0.7
313.07010	0.7
321.10376	0.7
325.07379	0.6
327.08331	0.9
333.09796	0.6
341.05386	0.7
359.06448	0.7
373.04239	0.6
379.07886	0.5
391.08008	0.7
409.09189	30.5
410.09573	0.8
411.10614	2.7
417.09366	0.8
421.09149	1.9
427.04922	0.9
427.10257	10.5
435.10724	1.3
439.10175	2.0
453.11707	0.7
543.13104	0.6
579.13080	1.9
579.21252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1497
Annotation	Apigenin 7-(6''-E-p-coumaroylgalactoside)
Peak:m/z	Relative Intensity
50.96479	0.1
62.40266	0.1
65.03940	0.3
67.01865	0.5
68.99802	0.4
69.03425	0.2
69.68938	0.2
69.69347	0.3
81.03426	0.8
85.02891	0.2
91.05479	2.2
97.02866	0.1
97.35680	0.1
105.03390	0.3
107.04975	0.2
109.02851	0.4
119.04944	6.3
119.08600	0.1
121.02863	1.0
123.04444	0.1
127.03904	0.3
129.01810	0.2
130.58315	0.1
141.06929	0.1
145.02834	1.0
147.04413	23.6
153.01828	5.5
163.03857	0.5
165.05438	0.6
171.02878	0.6
187.04012	0.1
197.06050	0.1
203.07001	0.3
225.05493	0.5
229.04959	0.4
243.06540	0.3
247.06154	0.1
271.06009	100.0
272.06424	0.5
291.08621	1.4
309.09744	0.5
312.33252	0.1
313.06897	0.1
417.10275	0.1
459.10846	0.1
579.14862	0.4
579.33575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01860	0.1
65.03928	0.3
67.01862	0.4
67.05492	0.1
68.99780	0.4
69.00058	0.0
69.03439	0.1
69.07073	0.1
69.47623	0.0
69.47976	0.4
71.05000	0.1
79.05486	0.1
81.03422	0.5
81.07043	0.2
85.02895	0.2
91.05478	1.6
93.07036	0.1
95.04980	0.2
95.08601	0.1
97.02854	0.1
99.04403	0.0
103.05466	0.2
105.03394	0.2
105.07034	0.1
107.04949	0.1
107.08591	0.1
109.02886	0.2
109.06562	0.1
109.10152	0.2
111.00819	0.1
111.04475	0.1
115.05473	0.1
117.07015	0.1
118.04156	0.1
119.04946	4.6
119.08670	0.1
121.02864	0.9
121.10123	0.1
123.04428	0.2
123.72980	0.0
127.03905	0.2
129.01831	0.2
131.04924	0.3
131.08595	0.1
133.06461	0.1
133.10143	0.1
135.04439	0.1
135.08043	0.1
135.11678	0.1
136.05225	0.1
136.76212	0.1
137.05972	0.3
139.03867	0.1
145.02844	1.0
145.06490	0.2
147.04411	13.4
148.04742	0.1
149.09695	0.1
151.03859	0.1
151.07527	0.4
153.01830	5.3
157.06514	0.1
161.05986	0.2
163.03909	0.6
163.07542	0.1
165.05486	0.2
167.07027	0.6
169.06491	0.1
171.02890	0.7
173.05960	0.2
175.07524	0.1
177.05493	0.1
181.04861	0.3
181.08493	0.1
185.05873	0.1
187.03929	0.1
191.07057	0.4
193.08611	0.1
197.06116	0.1
202.06335	0.1
203.07057	0.3
215.07069	0.1
219.08054	0.1
225.05438	0.6
229.05022	0.3
235.09601	0.1
236.37932	0.1
243.06367	0.3
247.05966	0.1
253.04945	0.1
254.05687	0.1
257.04529	0.1
271.06009	100.0
272.06323	0.6
291.08667	0.5
309.09698	0.2
313.07141	0.1
399.10696	0.1
417.10785	0.1
417.22501	0.1
547.19476	0.5
551.22595	0.1
576.31866	0.1
579.14771	0.3
579.22406	0.2
579.28442	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
53.03932	1.1
55.01873	1.8
64.93497	0.8
65.03935	0.9
67.01872	0.8
68.99775	6.1
70.31335	2.8
70.31727	0.7
72.81649	0.6
79.05498	1.2
80.72966	0.7
81.03408	3.3
82.57599	0.7
88.24343	0.8
91.05476	1.4
93.03378	1.0
95.04969	1.8
98.21540	0.8
99.04410	1.0
103.05452	0.9
107.04940	3.0
109.02892	3.2
111.00790	2.3
111.04440	3.7
112.20084	0.7
115.05508	0.7
118.28733	0.7
119.04943	2.8
121.02891	2.2
123.04433	63.7
127.03921	100.0
131.04913	2.6
135.04420	30.4
137.02379	5.7
137.05983	1.7
139.03905	65.9
141.06996	1.0
145.06523	0.9
147.04424	9.2
149.02335	5.9
149.05952	1.8
151.03911	15.1
155.04935	0.8
159.04448	2.1
161.06017	3.3
163.03915	38.0
165.05466	6.2
167.03423	8.7
169.06450	1.0
173.05936	3.6
175.03926	5.9
177.05539	3.6
179.03394	4.4
183.04417	1.2
185.06032	1.5
187.03848	5.6
189.05458	2.5
191.03392	18.0
193.05064	4.2
197.05936	3.7
201.05478	7.3
203.03413	12.2
203.07062	2.9
205.04984	4.6
213.05504	2.4
215.03442	3.0
215.07114	2.6
217.05040	2.0
225.05444	1.0
229.04965	9.7
231.06448	2.4
233.04485	8.2
241.05029	1.3
243.06519	5.6
245.04453	10.4
247.06029	28.4
251.05551	1.4
253.04955	1.2
255.06512	3.7
257.04434	15.4
258.05298	1.6
259.06033	14.2
269.04376	4.1
271.06015	22.5
273.07739	2.1
275.05518	21.1
279.03503	0.8
283.06000	9.1
285.07495	1.6
287.05502	30.7
289.07086	15.4
291.08664	16.9
299.05551	6.0
301.07089	23.4
303.08743	4.5
313.07251	0.9
345.19861	0.9
409.09201	34.4
411.10724	2.0
421.09253	1.3
427.10199	11.7
435.10706	2.7
439.10388	2.2
453.11554	1.3
539.03235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Apigenin 7-(6''-E-p-coumaroylgalactoside)
Peak:m/z	Relative Intensity
63.82755	0.1
67.01862	0.4
68.99805	0.3
69.03406	0.2
70.79559	0.2
70.79891	0.1
85.38821	0.1
91.05497	0.6
97.02879	0.2
119.04124	0.1
119.04950	2.5
121.02848	0.5
127.03938	0.1
128.60657	0.1
129.01799	0.1
134.93010	0.1
145.02853	0.7
147.04414	3.9
153.01831	4.7
163.03925	0.4
165.05528	0.2
169.06413	0.1
171.02878	0.4
186.85025	0.1
187.03853	0.1
225.05460	0.3
228.04242	0.1
229.05061	0.4
243.06531	0.1
244.07869	0.1
247.06071	0.2
250.65417	0.1
262.87070	0.1
271.06018	100.0
272.06357	0.7
291.08466	0.1
309.09760	0.9
581.64246	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
53.03938	0.2
55.05515	0.2
60.83060	0.1
65.73648	0.1
67.01860	0.6
67.05482	0.3
68.34672	0.1
68.99493	0.1
68.99781	0.6
69.03425	0.3
69.07056	0.3
71.04993	0.2
71.35516	0.2
74.85488	0.1
79.05479	0.3
81.03423	1.0
81.07076	0.9
85.02892	0.4
89.03918	0.2
91.05479	0.5
93.07031	0.5
95.04958	0.3
95.08597	0.4
97.02885	0.3
97.10139	0.1
100.97096	0.1
103.05472	3.2
105.03392	0.2
105.06999	0.4
107.04946	0.1
107.08595	0.4
109.02873	0.5
109.06528	0.1
109.10145	0.4
111.04443	0.2
115.30312	0.1
119.04945	0.3
119.08591	0.4
121.10120	0.3
123.04434	0.3
123.11680	0.3
127.03922	0.5
131.04932	11.9
133.10045	0.2
135.04430	1.5
135.11697	0.4
137.02344	0.8
137.05945	0.1
142.16371	0.1
145.02835	0.3
145.10130	0.1
147.04381	0.8
147.11671	0.1
149.05968	0.7
149.13271	0.2
151.07484	0.1
153.01833	6.2
159.11737	0.2
161.02290	0.8
163.03918	0.1
168.38309	0.1
169.10182	0.1
171.02901	0.7
173.13226	0.2
177.05482	0.6
178.05811	0.3
179.03368	0.4
185.06027	0.1
189.05540	0.2
201.05524	0.1
203.03529	0.1
214.18515	0.1
219.06517	0.3
241.04906	0.7
245.04440	0.2
269.04416	0.3
271.06012	6.1
272.12009	0.1
275.09183	1.0
287.05499	100.0
288.05774	0.5
293.10202	0.4
326.31552	0.1
395.07715	0.1
449.28995	0.1
451.30405	0.2
462.71155	0.1
494.55380	0.1
579.14844	0.5
579.30646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01855	2.3
55.05269	0.9
55.05510	11.3
57.03436	7.0
57.07078	1.1
63.66701	0.7
65.03931	1.1
67.05508	34.4
69.03417	1.2
69.07076	11.4
69.46878	2.5
69.47301	2.5
71.04982	2.3
71.61533	0.6
73.60947	0.7
79.05493	30.2
81.03445	1.5
81.07059	34.8
82.07394	0.7
83.04976	2.6
83.08620	7.1
85.06529	1.1
91.05478	13.8
93.07043	40.0
95.04967	4.1
95.08607	38.6
97.02894	1.9
97.06516	2.8
97.10159	2.6
97.47018	0.7
99.04461	1.9
103.05469	0.8
105.04495	1.1
105.07037	12.3
107.04945	5.4
107.07871	1.3
107.08594	24.5
109.06515	1.6
109.10158	10.0
111.08085	1.2
117.07016	6.5
119.08585	10.2
119.74960	0.6
121.06499	2.8
121.09322	1.0
121.10146	13.5
123.08084	0.8
123.11688	2.8
125.06082	0.7
131.08551	4.6
133.10136	6.1
135.08072	0.9
135.11694	30.6
135.12726	1.6
137.13225	0.7
145.10127	16.6
147.11667	2.2
149.13245	2.3
152.16449	0.8
153.12790	0.7
159.11688	2.1
161.13226	1.7
163.11183	35.6
163.14825	1.2
171.61873	0.6
173.13257	1.4
181.12233	5.9
199.13464	0.6
209.11658	1.2
227.12781	46.1
243.21161	1.4
261.22067	4.8
283.15402	36.2
307.34286	0.7
317.24796	2.3
335.25793	100.0
336.26114	1.3
493.26877	0.8
528.37628	2.5
543.36829	52.8
546.38586	1.3
578.41315	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
51.02386	0.4
53.03936	0.5
55.01871	1.4
65.03941	0.7
67.05505	0.6
68.99786	4.7
71.04988	0.4
71.05431	1.1
77.03929	1.1
81.03429	2.6
85.02908	0.5
89.03899	1.1
91.05435	0.5
93.03411	0.6
95.04977	1.3
97.02865	0.8
99.04444	0.8
103.05458	0.6
104.42655	0.5
105.03395	0.7
107.04973	3.9
108.05350	0.6
109.02892	3.7
110.25787	0.4
111.00780	2.4
111.04449	2.5
117.03417	0.6
119.04925	0.8
121.02879	1.6
123.04433	41.2
127.03919	100.0
131.04967	1.4
134.33899	0.5
135.04419	29.8
137.02371	3.5
137.05972	0.7
139.03906	42.7
141.06963	0.7
145.02803	0.6
145.06477	0.6
147.04395	6.3
149.02365	4.1
149.05991	1.9
151.03899	9.0
151.07439	0.5
153.06978	0.5
155.04950	0.9
157.06416	0.7
158.18407	0.5
159.04440	2.7
161.02306	0.6
161.05989	3.1
163.03906	34.4
165.05482	5.3
167.03410	7.2
169.05190	0.5
169.06493	1.8
173.06012	3.2
175.03955	2.6
177.01947	0.5
177.05486	3.5
179.03363	3.2
181.06433	0.8
183.04408	0.7
185.06003	1.3
187.03831	5.7
187.07596	0.8
189.05502	2.2
191.03401	9.9
193.05020	3.4
197.05972	2.8
201.05469	6.7
203.03394	8.4
203.07097	1.6
205.04964	2.9
207.06613	1.3
213.05534	1.6
215.03415	1.9
215.07028	2.2
217.05023	1.6
225.05463	1.3
227.03630	0.4
227.06985	0.5
229.04973	6.4
231.06493	1.7
233.04482	5.9
241.04990	1.4
243.06496	4.3
243.70848	0.5
245.04437	6.1
247.06050	16.5
251.05577	0.9
253.05016	1.2
255.06616	1.5
257.04477	8.6
259.06030	9.3
261.07504	0.6
269.04486	2.0
271.06015	18.1
273.07513	1.5
275.05505	14.5
283.06027	6.1
285.07666	0.7
287.05496	18.9
289.07083	14.1
291.08618	11.9
297.07767	0.6
299.05521	4.7
301.07114	13.5
303.08670	2.0
311.05457	0.7
327.92502	0.5
382.33429	0.5
398.69904	0.5
409.09204	24.8
411.10660	2.7
417.13831	1.6
421.09161	1.6
427.10263	8.9
439.10294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.8
53.03904	3.1
61.02900	0.4
62.07949	0.3
69.03432	8.5
69.22509	3.0
77.03902	1.3
79.05501	3.1
81.03392	0.8
85.02876	0.6
95.04974	3.5
97.02892	1.5
99.04453	0.8
101.13067	0.3
105.03394	100.0
107.04958	45.4
109.02898	1.1
123.04446	0.8
127.03921	7.5
127.04789	0.5
135.04453	1.4
145.05020	0.7
153.05455	1.4
177.05627	0.3
231.06555	4.0
249.07561	3.8
267.04675	1.1
267.05994	1.4
267.08649	32.3
311.22507	0.3
347.26157	0.3
393.74991	0.3
425.12332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47523	3.3
55.01885	3.2
55.05506	7.8
67.05515	18.4
69.07054	13.4
70.61536	3.9
70.61866	6.8
79.05503	18.6
80.60004	3.0
81.07053	25.6
83.04963	8.0
83.08633	4.4
91.05472	17.7
92.34093	3.1
93.07046	42.7
95.04980	7.9
95.08600	20.9
97.06521	3.4
97.10140	3.1
102.53380	3.0
105.01742	3.7
105.07032	22.6
107.08611	23.7
109.06528	9.0
109.10138	12.5
113.09642	18.0
117.07008	8.3
119.04932	4.4
119.08604	38.1
121.06536	14.4
121.10161	31.7
123.08070	4.2
123.11743	5.0
125.09664	6.6
126.30083	2.6
129.05490	4.6
129.07008	7.2
131.08546	15.6
133.06416	4.3
133.10133	24.8
135.08064	4.5
135.11708	9.0
139.11194	5.7
142.07791	5.4
143.08537	13.7
145.10121	25.2
147.11720	14.7
149.09666	4.4
149.13249	3.6
153.92664	3.3
155.08531	3.8
156.09349	3.1
157.10086	20.1
159.11688	33.2
161.13228	6.2
163.11212	36.0
163.14758	2.7
167.08633	3.4
168.09431	3.5
169.10132	14.8
170.10994	3.6
171.08139	3.2
171.11650	18.4
173.13321	19.7
175.14810	8.4
177.09073	3.4
181.08652	3.7
181.10182	4.3
183.11694	23.9
185.13303	17.1
187.14781	10.4
191.14374	7.7
195.11836	5.9
197.13214	9.2
199.14812	10.3
201.12737	6.4
203.14401	5.9
207.11653	3.7
209.13275	7.5
211.14847	16.0
213.12770	3.5
213.16345	7.9
215.14459	4.4
217.15781	5.9
221.13158	4.2
223.14830	8.7
225.16396	9.7
227.09140	4.5
227.14372	2.9
227.17880	6.1
229.15897	7.2
237.16341	6.2
239.17870	4.3
241.15831	4.6
251.17987	5.9
253.16022	3.3
255.17374	8.0
267.21179	5.2
271.20615	15.5
297.22061	8.2
309.22061	4.4
311.23755	7.8
315.19516	3.5
321.16895	3.3
341.21149	3.6
351.26797	4.4
353.21185	6.5
355.22653	19.9
375.26810	12.1
387.21741	4.2
393.27802	13.9
403.26352	8.3
411.28955	4.9
421.27487	33.5
437.26968	9.8
439.28571	40.7
447.24994	8.6
449.26907	6.7
453.29703	3.6
457.25574	8.9
465.26340	11.2
467.27957	33.6
469.29324	5.4
479.27966	5.0
481.29614	19.8
483.27255	21.5
497.29059	30.4
499.30637	35.9
511.26923	53.6
515.29761	4.9
533.06403	3.0
542.35193	3.5
543.29559	100.0
544.29730	3.8
560.31323	14.3
561.30389	4.1
578.32843	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32244	2.1
53.03938	7.0
55.01862	4.5
55.05269	2.9
55.05515	42.0
57.03440	15.7
57.07064	5.6
58.35209	2.6
59.04988	2.9
65.03941	3.3
67.05511	97.0
69.03413	2.9
69.07072	29.9
71.04988	16.8
71.05406	5.4
71.08632	4.6
79.05498	70.4
81.03425	24.7
81.06589	5.0
81.07062	100.0
83.04972	9.7
83.08633	25.8
85.06548	11.9
87.04446	4.0
91.05486	62.4
93.06483	3.5
93.07050	63.8
95.04972	18.2
95.08607	69.7
97.06535	12.8
97.10169	19.4
99.08084	4.7
105.07037	59.4
107.04980	5.0
107.08593	45.0
109.06513	6.3
109.10163	32.9
111.08101	8.6
115.05449	2.5
117.07021	26.0
119.07723	2.5
119.08584	46.4
121.06464	3.6
121.10158	33.8
123.08100	6.7
123.11714	15.0
125.09620	14.7
129.07018	15.5
130.07738	2.5
131.08577	38.0
133.10135	33.6
135.08043	6.1
135.11687	20.1
137.09659	3.1
137.13264	6.3
139.11198	3.4
141.06966	5.0
142.07785	2.5
143.08569	17.3
145.10146	30.7
147.11710	25.1
149.09651	5.4
149.13274	9.1
151.11224	2.8
155.08517	7.9
156.09514	2.4
157.10136	16.7
159.11703	25.6
161.13271	10.5
163.11185	2.3
165.12740	3.8
169.10139	9.9
171.10342	3.8
171.11714	14.8
173.11890	4.5
173.13277	15.9
175.11172	5.7
175.14818	8.0
177.12793	3.0
181.10043	3.0
183.11676	12.4
185.13281	9.3
187.11189	2.8
187.14874	11.1
189.11269	8.9
193.12273	9.2
195.11653	3.0
197.13300	7.2
199.14795	7.3
201.16403	3.4
209.13159	5.1
211.14941	4.4
223.14752	3.4
227.12779	14.5
239.16319	3.5
247.16904	3.0
257.17468	2.8
257.29584	2.5
259.20609	4.5
261.22079	13.8
267.15924	30.6
271.20682	2.5
273.22235	3.5
285.22064	5.1
287.23550	5.3
289.21536	6.3
299.23657	4.0
301.25311	14.6
303.23141	4.6
314.28061	3.0
323.23712	3.0
333.24243	4.9
335.25989	16.8
359.25656	4.1
363.25372	5.2
400.98325	2.4
402.24872	2.4
407.32794	2.8
417.31656	6.8
435.27280	3.4
435.32526	22.3
453.33780	19.1
471.34686	12.0
491.34875	3.0
509.36099	9.8
527.37341	85.8
545.38397	68.0
559.40143	14.4
577.40533	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	577.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
55.01872	6.2
55.05515	38.8
57.03440	16.7
57.07076	6.6
65.03934	3.3
65.07186	2.4
67.05509	91.7
68.99681	2.6
69.03442	5.2
69.07075	28.6
71.04990	16.2
71.05945	3.1
71.06287	4.1
78.36046	2.8
79.05068	4.6
79.05501	71.3
81.03426	27.0
81.07064	100.0
83.04989	9.1
83.08617	20.8
85.06543	10.2
91.04909	2.9
91.05483	59.9
93.06477	4.7
93.07047	72.4
95.04973	17.6
95.08614	67.5
97.06542	11.8
97.10182	20.4
99.08071	3.3
105.07039	52.0
107.04936	4.3
107.08604	43.8
107.74486	2.2
109.06532	8.1
109.10169	31.6
111.08088	9.3
115.05450	3.6
117.07030	24.7
119.08585	46.8
121.06522	3.3
121.10168	30.1
123.08058	6.0
123.11717	8.5
125.09647	17.5
128.06219	2.5
129.07054	14.9
131.08580	36.6
133.06520	3.1
133.10129	33.1
135.08061	6.1
135.11674	19.3
137.09595	5.3
137.13271	4.1
139.11189	3.4
141.07028	5.0
142.07747	4.3
143.08569	20.0
145.10135	31.8
147.08107	3.3
147.11699	19.9
149.09621	7.1
149.13260	12.9
151.11235	3.9
155.08586	9.8
157.10172	17.2
159.11723	18.9
161.09622	3.1
161.13280	12.1
163.11172	4.6
163.14844	3.4
165.12825	4.1
167.08557	2.9
167.10664	4.1
169.10187	11.1
171.11711	14.9
171.13094	3.2
173.11859	3.0
173.13306	11.6
175.11221	5.0
175.14833	6.8
181.10127	3.9
183.11722	9.4
185.13278	8.8
187.14825	8.0
189.11246	8.8
193.12268	9.8
195.11768	5.1
197.13295	5.8
199.13306	4.3
199.14937	6.0
209.13181	2.8
211.14877	5.3
227.12805	16.9
239.16432	4.5
243.21048	3.4
259.20517	3.1
261.22278	8.3
267.15897	32.2
279.23370	2.6
285.22153	3.8
287.20230	3.2
287.23615	4.6
289.21790	7.5
299.23669	3.4
301.22015	3.8
301.25168	15.7
305.21353	3.0
314.27728	4.0
315.23230	4.0
317.24890	3.4
335.25861	19.3
341.24792	3.3
363.25247	6.8
373.27368	2.9
417.31668	4.5
435.32513	20.6
453.33597	15.5
471.34619	8.9
509.36002	7.0
527.37390	83.9
545.30469	4.6
545.38373	67.3
559.39899	15.0
577.41705	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	577.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69201	0.7
53.03947	1.6
55.01870	0.9
55.05518	1.7
57.07805	0.6
57.80047	0.6
66.53712	0.7
67.05502	2.4
69.03440	1.5
69.07061	1.0
71.54156	0.8
79.05489	2.6
81.03424	5.6
81.07051	2.0
83.63433	0.6
85.02897	1.7
91.05495	2.2
93.07050	3.4
95.04966	1.7
95.08616	2.0
97.02869	1.3
97.06532	0.9
103.05476	12.3
104.10207	0.7
105.03382	0.8
105.07062	3.4
107.04957	6.8
107.08612	2.1
109.02886	2.6
109.10161	0.9
111.08153	1.3
114.03298	0.7
119.08607	1.9
121.10142	1.9
127.03922	1.4
128.57076	0.6
129.07071	0.8
131.04935	43.7
131.08557	1.2
133.10133	1.5
135.04239	3.2
135.11748	1.1
145.10146	1.3
146.54619	0.6
147.11624	1.1
149.06010	1.5
149.09613	0.6
159.11636	0.7
161.09669	1.0
161.13341	0.9
166.41359	0.7
171.04350	0.7
172.12146	0.6
177.05453	1.0
179.03160	11.8
186.13432	0.7
241.08344	1.1
267.16061	1.1
275.08957	4.1
311.85129	0.7
315.08389	8.9
351.25241	0.9
421.12592	1.6
427.13583	1.1
434.58487	0.8
439.13260	1.2
441.00497	1.0
471.12802	0.8
479.58966	0.7
533.17816	7.8
577.16846	100.0
578.17767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37484	3.6
53.03950	10.7
55.01875	31.1
55.05519	41.4
57.03439	23.5
63.66939	3.3
65.03939	6.7
67.05508	81.6
69.03424	15.6
69.07072	31.8
69.99709	19.1
71.05000	10.8
71.15503	3.4
73.02912	7.3
79.05498	87.4
81.03421	54.0
81.06594	6.6
81.07061	100.0
81.90622	4.1
82.45954	4.0
83.04984	16.5
83.08616	33.5
85.02895	20.5
91.05487	79.8
93.07051	78.4
95.04974	31.9
95.08614	53.8
97.02930	4.7
97.06541	30.6
97.10165	13.4
105.06385	6.1
105.07044	73.0
107.04963	29.6
107.08599	48.5
109.02837	7.2
109.06493	14.1
109.10172	27.1
111.04442	8.9
111.08081	10.6
117.07023	22.6
119.08591	55.3
121.06503	7.5
121.10145	29.9
123.04427	6.1
123.08092	9.4
123.11698	10.3
125.09610	18.2
127.03945	5.8
129.07028	19.5
129.07835	4.1
131.08572	34.0
133.06456	5.0
133.10141	44.1
135.04390	5.1
135.08040	8.2
135.11716	23.1
137.09608	9.2
143.08574	9.3
145.06500	5.2
145.10150	34.3
147.08014	6.2
147.11711	35.8
149.02408	4.8
149.09636	24.9
149.13239	12.2
151.11148	5.2
155.08540	6.1
157.10106	17.0
159.11714	16.3
159.90410	4.0
161.09624	3.9
161.13254	10.5
163.03906	4.2
163.11192	18.5
165.12776	5.1
171.10307	4.7
171.11684	9.8
172.03186	3.7
173.13277	12.2
175.11201	17.3
175.14766	5.5
179.14352	10.3
181.12308	3.7
185.13379	6.1
187.11258	4.5
188.21083	4.6
189.11198	8.4
193.04996	4.5
193.12268	38.3
199.14801	4.4
201.12749	4.9
211.13252	52.0
227.12727	23.3
241.19417	5.7
257.19049	13.9
259.20630	14.9
267.15945	27.6
275.20105	77.1
277.21704	18.8
285.16986	36.8
293.20923	10.2
349.23822	45.3
350.82013	5.4
351.25476	19.8
367.24829	6.6
447.27191	6.4
485.32422	6.0
541.35205	21.5
559.36292	52.2
567.32037	4.3
577.13733	4.7
577.26251	7.0
577.37988	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	576.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97364	1.5
53.03947	2.9
55.05511	5.6
57.03442	10.6
57.06834	2.1
57.07082	25.2
67.05513	12.8
69.07069	6.8
69.85154	2.9
69.85538	8.4
70.74870	1.6
71.04992	1.8
71.08635	20.0
79.05502	5.6
81.03423	53.8
81.07056	16.1
83.04951	2.5
83.08627	16.4
85.10190	10.9
89.06023	1.8
91.05489	10.3
93.07021	5.2
95.04972	14.4
95.08607	15.4
97.10162	3.8
99.78003	2.0
105.07010	8.6
107.04924	2.4
107.08643	2.5
109.10174	8.8
111.08088	3.6
119.08563	9.6
121.06537	1.7
121.10154	3.7
129.06987	7.0
131.08562	5.2
133.06435	1.7
133.10129	2.2
147.11685	4.5
149.09677	3.9
151.14827	2.0
157.10133	7.2
159.38695	1.7
175.11176	7.0
193.12270	22.6
235.54698	2.1
239.60672	1.7
246.74745	1.7
257.24835	2.5
267.15921	100.0
313.27371	95.2
413.28616	2.0
505.31424	4.2
505.38916	73.5
576.41547	3.8
576.50098	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	575.613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.8
55.05514	32.1
56.80784	2.4
57.07081	73.3
63.23502	2.9
67.05173	4.5
67.05506	53.0
69.07073	65.1
70.87760	5.5
71.04998	3.5
71.08639	58.9
79.05499	9.3
81.07062	92.0
82.07390	4.8
83.08620	57.3
85.10188	37.0
87.04470	10.8
91.05489	6.5
93.07043	10.1
95.08616	100.0
97.10172	44.3
99.11741	4.4
105.07029	5.8
106.31462	2.7
107.08571	3.9
109.10165	58.9
111.11729	42.1
121.68041	3.3
123.11726	28.7
125.13251	14.3
125.28194	3.0
137.13240	16.9
139.14777	5.6
151.14867	7.4
153.16432	3.3
165.16422	10.9
179.17992	5.4
219.31635	2.6
291.30460	3.5
302.20236	2.8
314.27609	5.1
361.38266	3.2
405.85516	2.8
472.07104	2.9
481.39029	5.3
482.39218	20.3
533.88379	3.4
540.43457	8.7
557.60260	15.2
575.26031	3.8
575.40881	10.5
575.49921	27.1
575.60815	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	576.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.51691	1.1
55.98898	1.1
56.13056	1.2
65.13763	1.1
69.03429	8.7
70.12685	1.0
70.80622	2.3
70.80976	1.4
79.05483	1.4
85.02916	2.1
86.06065	1.9
95.04953	2.9
97.02879	2.1
99.04483	1.2
105.03397	100.0
106.03684	1.2
107.04962	44.3
107.08606	1.2
109.10138	1.6
116.10757	6.3
119.08572	1.3
127.03906	6.1
147.04362	2.1
184.49953	1.0
212.13329	1.2
231.06490	3.9
249.07573	4.8
267.08652	58.2
312.60626	1.5
316.21259	8.7
354.22720	1.1
373.13779	1.0
414.28354	3.7
478.26370	4.2
576.23895	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	574.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.22027	2.7
69.03433	6.9
69.36484	7.5
69.36897	12.1
81.03425	7.2
94.51949	2.3
95.04955	2.9
105.03392	100.0
107.04965	28.5
127.03929	7.8
186.75760	2.4
231.06544	7.9
249.07602	8.0
267.08630	51.2
272.13672	2.6
296.44751	2.8
345.42166	2.6
378.45755	2.8
403.39859	2.8
413.31235	2.9
574.22198	7.8
574.30786	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	575.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.2
55.05499	0.6
56.32580	0.2
67.05515	0.4
69.03421	0.6
69.07066	0.5
70.07425	0.6
79.05491	0.3
81.03426	0.5
81.07051	1.0
83.01115	1.1
83.08633	0.3
85.02905	0.5
88.68154	0.2
89.06048	0.4
91.05473	0.6
93.07034	1.0
95.01085	2.7
95.04965	0.5
95.08606	0.8
96.01865	0.9
97.02707	0.4
97.06562	0.4
97.10193	0.5
105.03391	1.6
105.07027	0.7
107.04946	0.6
107.08569	0.6
109.02831	0.3
109.10133	0.3
112.01357	1.0
113.02124	2.9
119.04957	0.8
119.08639	0.4
121.02853	0.5
121.06498	0.3
121.10179	0.4
123.04438	6.4
126.02950	0.3
127.03835	0.5
131.04942	0.5
133.10132	0.5
137.06038	0.5
139.03845	0.6
141.05287	0.3
145.10162	0.3
147.04414	2.8
157.04654	0.6
163.03934	0.5
165.05569	0.4
167.03197	0.8
171.08115	0.2
175.03749	0.3
176.04457	0.8
177.00432	0.2
177.05486	0.6
185.04257	5.5
185.05772	0.9
191.03394	1.2
201.03670	1.0
201.05301	2.2
203.03674	0.3
203.05275	1.2
216.07576	13.7
217.08350	0.4
219.06271	0.4
257.10263	0.2
267.08926	0.3
285.07581	0.4
323.07278	0.3
337.90640	0.2
351.10373	1.1
352.26205	0.2
365.12170	1.6
381.11560	1.3
391.13840	0.7
413.16013	0.4
419.11566	0.7
505.20282	1.1
545.19897	0.3
575.20953	100.0
576.21307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44376	2.0
52.47882	2.3
52.52149	2.2
53.03934	7.2
53.59025	2.3
55.01881	15.7
55.05275	3.6
55.05516	53.9
57.03447	11.5
65.03934	4.3
66.72487	2.3
67.05508	68.2
69.03429	9.1
69.06725	3.5
69.07072	41.2
71.01351	2.1
71.04991	6.4
71.57011	2.8
77.03919	2.5
79.05495	65.7
80.81990	2.1
81.03421	43.4
81.07066	72.9
83.04961	19.8
83.08157	2.9
83.08621	37.4
85.02911	12.8
85.06541	4.6
90.60229	2.4
91.05489	67.3
93.07044	47.9
95.04974	37.9
95.08610	30.7
97.02904	5.9
97.06541	15.4
97.10172	30.9
103.05450	2.8
105.03424	2.5
105.07030	56.9
107.04967	24.8
107.08593	30.3
109.06539	12.7
109.10164	21.2
111.04415	2.8
111.08066	10.2
115.05521	3.7
117.07024	13.8
119.04958	2.2
119.08586	44.6
121.06498	9.2
121.10165	19.2
123.08065	15.4
123.11720	7.0
125.09633	21.3
128.06242	3.8
129.07025	15.0
131.08574	26.1
133.06483	8.1
133.10120	24.0
135.08061	7.8
135.11671	8.0
137.09651	3.8
142.07744	6.1
143.08568	9.6
145.06494	2.7
145.10106	17.5
147.08070	12.6
147.11705	26.1
149.09593	12.8
149.13181	3.8
153.12721	4.0
155.08537	3.9
157.10132	21.6
159.11694	6.8
161.09581	6.3
161.13245	4.9
163.11185	7.7
165.09200	4.6
165.12718	7.3
169.10153	4.7
171.11684	5.8
173.13336	4.3
175.11205	14.6
179.10683	2.7
185.13261	3.3
187.11226	3.0
189.11177	18.4
193.12263	33.2
195.11588	2.9
205.12306	3.6
209.11603	3.1
211.13295	33.1
219.13797	9.2
220.11359	2.5
223.13254	17.4
227.12721	20.9
249.14803	7.1
267.15921	38.8
273.18503	32.6
275.20078	8.2
283.15347	10.1
285.17035	7.6
291.19574	100.0
296.56119	2.7
313.21677	5.5
331.22537	3.0
347.22025	5.5
349.23721	4.3
365.23312	11.7
389.23340	2.9
448.57666	2.6
465.30206	2.8
477.28571	6.7
483.30667	5.2
539.33649	7.8
557.34760	52.2
575.36462	88.4
575.49536	4.6
593.30225	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	573.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.59571	0.7
63.20178	0.6
69.03431	1.2
71.54250	1.1
79.05502	4.1
85.02890	3.0
91.05489	2.0
95.04948	1.8
97.02881	2.0
98.97581	1.9
104.76926	0.7
107.04960	100.0
119.04951	3.0
127.03924	1.6
137.05991	0.9
145.04933	0.9
156.98106	0.8
213.09113	9.2
219.01784	1.5
237.02841	1.3
249.03630	0.9
309.09695	0.7
411.08810	1.5
484.90945	0.8
564.94000	0.8
573.14319	3.7
573.23645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3039
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.13902	0.3
53.03942	0.6
55.05294	0.4
55.05519	3.3
55.22181	0.3
57.03444	4.1
57.07081	21.4
65.03983	0.4
67.05512	7.1
69.07074	4.2
69.33764	2.7
71.04987	0.4
71.08634	15.0
75.04511	0.4
79.05507	1.8
81.03432	3.4
81.07058	8.0
83.05026	0.4
83.08630	5.3
85.06559	0.6
85.10185	10.0
89.06033	0.7
91.05479	1.3
93.07044	1.6
95.08614	11.6
97.10178	3.4
98.21455	0.7
98.98473	23.6
99.04469	0.6
99.11724	0.6
103.80006	0.4
105.07021	0.9
107.04913	0.4
107.08575	0.9
107.44317	0.4
109.02895	2.9
109.10164	6.9
109.10857	0.7
111.11724	0.6
117.06977	0.5
119.08588	0.9
121.10133	0.7
122.95033	0.4
123.11698	2.1
129.06984	0.4
131.08585	0.6
137.13263	1.0
137.82011	0.3
147.11708	0.6
155.01048	21.9
163.06015	0.5
173.02133	1.2
231.84433	0.4
239.23650	2.9
243.02779	0.4
261.03760	1.5
269.47247	0.4
275.20135	0.7
281.17538	0.8
313.27377	100.0
314.27808	0.8
317.06342	3.1
335.07425	1.9
383.23935	0.8
384.24619	1.5
393.24063	4.4
401.28918	2.9
537.28143	3.1
555.37067	0.6
563.70850	0.4
573.48962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01866	0.5
55.05508	0.5
57.03437	0.3
60.55957	0.4
61.02914	0.3
67.05503	0.7
69.03430	2.0
69.07062	0.5
71.54980	0.6
74.57058	0.3
77.03931	0.6
79.05475	1.9
81.03425	4.7
81.07049	0.9
85.02913	2.1
91.05487	9.7
93.07053	0.5
95.04966	1.4
95.08609	0.9
97.02905	4.4
99.04474	0.7
103.05472	19.4
105.03394	1.2
105.04501	0.4
107.04961	30.3
107.08586	0.5
109.02866	2.5
115.05493	1.8
127.03936	2.1
131.04933	100.0
133.06441	0.5
143.04865	0.5
145.05008	0.4
149.05988	9.8
159.04317	0.4
161.78830	0.4
166.07759	0.6
177.05489	1.8
181.10213	0.5
185.02788	0.3
185.06096	0.4
209.09627	11.9
213.37001	0.4
215.07057	1.2
233.08009	0.6
237.09135	5.4
255.10236	1.1
257.08090	1.8
275.09122	5.4
283.16946	0.4
293.10202	13.0
327.23404	0.4
333.11417	0.4
381.13336	2.0
399.14392	0.5
572.31116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50922	0.3
50.66371	0.3
53.03943	0.5
57.07065	0.3
61.02927	0.3
67.05489	0.5
69.03430	8.3
69.07082	0.4
69.89904	0.9
77.03905	0.6
79.05481	1.0
81.03407	0.4
81.07034	0.7
85.02881	0.4
88.48675	0.3
91.05501	1.8
93.07039	0.6
93.83847	0.2
95.04954	0.7
95.08591	0.4
97.02885	1.1
97.06527	0.4
99.04443	0.6
103.05465	13.6
105.04542	0.4
105.07030	0.6
105.95475	0.3
107.04218	0.6
107.04954	10.3
107.08607	0.6
109.02895	0.7
119.08591	0.6
121.10157	0.6
127.03918	4.0
131.04926	100.0
133.10136	0.3
143.88956	0.3
145.05003	0.3
147.04399	1.0
149.05963	1.9
173.05878	0.3
173.13254	0.3
189.16417	0.3
190.06592	0.2
209.09608	0.9
237.09067	0.7
239.51494	0.3
275.09119	5.0
293.10181	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	572.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03937	3.9
55.01859	1.3
55.05502	2.9
57.03423	4.6
61.02928	1.2
67.05489	4.7
69.03135	1.0
69.03433	11.6
69.05948	1.0
69.07068	2.5
69.46912	1.0
71.04971	3.8
71.56834	1.9
74.49281	1.0
75.04488	7.7
79.05494	18.6
81.03426	8.5
81.07055	9.2
83.04978	1.9
85.02911	8.4
85.06552	7.4
91.05489	18.2
92.19286	1.0
93.07045	100.0
95.04975	7.1
95.08597	4.8
97.02893	6.8
97.06515	3.6
98.97549	1.5
99.04485	2.6
103.05437	2.2
105.03397	12.1
105.04492	2.0
105.07030	11.9
106.03715	3.5
107.04945	6.6
107.08604	18.6
109.02869	3.3
109.06507	1.6
111.04414	2.4
111.08109	5.4
116.06208	1.0
117.07010	1.8
118.08663	1.7
119.04928	2.0
119.07912	1.2
119.08585	12.1
121.06491	3.4
121.10144	90.5
122.10401	1.2
123.08030	1.2
123.11685	2.4
125.05981	1.4
127.03914	5.7
129.07011	2.1
131.04901	2.3
131.08571	14.2
133.10098	4.9
135.08020	2.1
135.11661	1.5
137.05971	4.1
137.09584	1.9
139.03897	1.2
139.11156	4.7
140.12010	1.2
143.08458	1.2
145.04948	2.3
145.10118	4.4
147.04428	4.9
147.11673	1.5
149.06007	1.7
149.09622	29.0
151.03825	1.2
159.08102	1.4
161.09645	1.8
163.03909	3.6
163.11166	4.4
165.09123	2.5
167.07013	1.6
167.10681	37.2
173.09575	2.0
175.07567	1.8
179.03227	1.8
187.11121	1.2
187.14792	2.1
191.10689	7.8
193.08583	1.4
194.08780	1.2
201.09129	1.0
209.11742	12.7
227.10556	1.6
227.12788	24.5
230.19987	1.3
259.09625	2.0
271.05856	1.1
275.12833	1.8
283.15280	1.5
293.13843	6.1
303.04910	1.1
304.05420	1.6
311.14890	28.3
329.15927	1.7
339.19482	2.4
347.17087	1.3
357.20636	2.6
519.25507	1.1
554.15979	3.7
554.33618	1.5
564.50281	1.1
567.93970	1.3
572.16235	7.3
572.31445	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87270	0.4
55.05504	0.5
57.06831	0.5
57.07077	6.1
58.06587	1.6
58.89615	0.4
60.04506	0.5
65.34504	0.4
67.05486	0.8
68.05045	0.4
69.20088	1.5
69.20514	2.3
69.49712	0.4
70.06595	14.9
71.08651	2.5
72.69592	0.4
79.05467	0.5
81.07072	0.4
88.07635	17.8
89.42094	0.4
95.04989	0.6
102.09188	14.8
105.03397	13.4
131.04887	0.4
147.04393	0.4
147.52144	0.4
148.97157	0.4
149.02362	10.7
149.05988	54.9
158.35933	0.4
175.03905	0.6
181.06480	2.6
193.04965	9.2
208.78812	0.4
212.23825	0.7
219.06534	0.9
223.89604	0.4
256.26361	41.4
297.07584	12.1
311.33353	0.5
341.10208	50.6
451.10428	0.5
570.34277	100.0
571.34302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11737	0.8
68.19638	0.9
68.85545	0.8
69.55576	0.8
69.97550	3.6
81.03409	0.9
82.99857	1.9
85.02916	1.5
90.91956	0.8
93.47365	0.9
97.02892	1.3
98.51069	0.8
98.97560	2.2
101.00880	12.5
109.02848	1.4
110.97570	0.8
113.00895	2.9
115.02465	1.3
119.01923	20.8
127.02416	3.2
127.03993	1.1
128.98651	0.8
131.01921	10.3
133.03465	4.4
137.02945	1.7
139.02350	1.3
143.01903	28.8
145.03474	12.8
147.01382	1.6
147.03055	0.8
149.01180	2.1
153.03949	1.1
155.01901	19.5
156.03621	1.7
157.03456	7.4
158.99736	0.9
161.02965	24.9
163.04523	1.4
167.01909	11.8
168.99799	5.1
169.03490	3.7
171.01398	1.1
171.05025	1.9
173.02957	23.8
175.04544	1.7
177.02489	1.9
179.01912	4.6
181.03537	1.2
185.02966	43.1
187.00876	5.4
187.04469	4.6
189.02419	2.0
191.02202	1.0
191.03986	2.4
196.99304	3.6
197.02951	16.1
199.00949	4.2
199.04588	2.0
201.00725	1.4
201.02452	3.9
201.07877	1.7
203.02248	1.1
203.03983	12.7
208.04630	1.1
209.02875	2.0
213.02449	2.6
215.00423	8.5
215.04007	11.3
217.01962	3.6
219.01646	1.1
219.03511	4.2
220.04713	1.1
221.05069	3.5
225.02469	1.1
227.03983	10.4
228.05641	4.6
228.55940	3.0
229.01921	4.5
231.03519	3.4
239.04230	1.1
241.01900	1.3
245.05075	100.0
246.05316	1.6
246.08218	1.0
247.03004	8.7
257.05115	5.6
259.03043	2.6
263.06183	11.6
271.02850	4.3
275.02567	3.7
275.06122	13.4
287.05981	1.1
289.04016	11.2
291.05399	1.1
293.07230	3.4
299.02417	1.7
301.03961	3.8
303.05560	1.6
305.07153	10.2
307.05194	9.2
315.06064	0.9
317.03357	1.1
318.59073	1.2
319.05112	3.4
331.05090	10.1
333.06653	1.2
335.08157	5.0
337.09796	1.6
343.04984	1.1
347.08459	1.0
349.06155	17.0
359.04489	3.4
361.06082	1.8
365.09338	18.9
377.05725	3.6
391.07224	6.1
409.08347	3.7
409.13461	1.1
411.09674	1.2
419.51114	0.9
469.10629	1.5
483.12100	1.9
511.11328	10.4
539.10736	5.2
571.12909	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	571.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.01876	12.3
55.05515	61.8
57.07075	5.6
65.03947	5.3
67.05511	71.5
69.03460	3.1
69.07075	41.7
69.59155	2.1
71.04994	6.2
78.85498	2.2
79.05495	44.1
81.07064	78.4
83.04989	6.2
83.08629	30.8
85.06538	4.1
91.05489	44.2
93.07047	51.4
95.04942	4.4
95.08616	68.0
97.06557	10.9
97.10178	37.6
105.04508	2.6
105.07040	57.7
107.08610	38.7
109.06547	3.8
109.10163	38.5
111.08137	4.2
115.05479	3.9
117.07026	33.0
119.08593	54.4
121.10155	30.5
123.08122	5.6
123.11728	16.4
125.09645	24.6
128.06226	4.0
129.07005	24.9
131.08580	57.9
133.10150	37.3
135.08040	3.7
135.11693	18.6
137.09668	5.6
137.13249	4.6
141.07033	4.2
142.07817	5.2
143.08572	29.1
144.09341	3.7
145.10141	57.2
147.11697	27.4
149.13304	8.2
151.14877	3.7
155.08583	10.7
156.09387	3.0
157.10139	26.0
159.11702	43.9
161.13278	11.1
163.14821	5.6
167.08629	3.8
169.10092	15.4
170.10966	3.0
171.11697	23.8
173.11873	2.2
173.13274	35.9
175.14825	8.4
181.10182	6.3
183.11722	15.9
185.13260	16.1
187.14868	14.8
189.11195	13.6
189.16322	3.3
195.11789	4.9
197.13342	11.0
199.14883	11.4
201.16411	9.8
209.13333	6.4
211.14920	6.1
213.12843	2.4
213.16446	8.1
215.18027	8.5
223.14949	4.4
225.16360	6.2
227.17961	6.3
229.19527	5.1
236.58249	2.4
239.18002	3.5
241.19525	2.9
251.20219	2.9
255.21001	2.8
263.20117	3.7
275.20102	9.8
277.21695	13.4
279.23245	4.9
287.20068	2.9
289.21524	3.3
297.22122	5.4
299.23608	3.5
301.21625	3.7
303.23312	7.2
313.21835	3.0
315.23297	9.0
317.24792	5.0
327.23340	2.8
329.25018	4.1
331.26395	2.5
341.24777	5.4
343.26550	5.0
355.26349	3.3
357.28134	4.1
359.29416	3.4
365.28296	2.7
367.26132	3.7
367.30045	12.6
369.28015	5.0
383.29163	4.9
383.33368	5.3
385.31030	92.0
399.32440	8.3
409.30872	4.3
411.32486	3.2
423.32571	4.7
426.32990	2.4
439.35974	2.8
441.34491	2.9
447.33041	4.0
457.37009	3.5
459.34695	11.3
465.33142	3.5
473.36191	5.1
483.34238	3.2
499.38702	2.7
501.35147	2.7
513.39276	7.0
517.40265	17.3
527.07562	2.8
535.41638	30.3
553.33984	5.6
553.42535	100.0
571.36084	4.1
571.43604	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
51.21568	0.5
52.31985	0.4
53.03927	1.3
55.01863	1.0
57.03412	1.3
64.65329	0.5
66.04707	0.8
67.05477	1.0
69.03417	4.3
69.07047	0.5
70.75256	1.5
71.04969	0.8
77.03925	0.6
79.05135	0.5
79.05495	5.3
81.03384	1.4
81.07037	1.7
82.73411	0.5
83.04968	0.6
83.79439	0.6
85.02912	2.8
91.05485	4.8
93.07031	1.3
95.04951	1.6
97.02877	2.0
97.06550	0.5
97.10133	0.6
98.97580	0.7
103.05463	9.5
105.03398	22.1
105.04451	1.0
105.07032	12.8
105.67129	0.5
106.03063	0.6
106.03727	7.4
107.04971	4.3
107.08551	0.6
109.02847	2.0
109.06503	1.0
109.10127	0.7
115.05452	1.6
117.07027	0.5
118.04163	14.1
119.04962	4.3
119.08556	0.7
120.05704	1.7
121.02832	1.1
121.06501	1.8
122.03664	0.9
122.07269	1.8
123.04436	0.5
123.08089	0.8
124.05203	6.6
127.03920	3.0
131.04039	0.7
131.04941	10.8
131.08530	0.8
132.05704	0.8
133.02798	0.7
133.06497	21.2
134.07283	1.2
135.04352	2.7
135.08035	3.8
137.05029	0.9
137.05989	13.7
143.10707	0.6
145.04843	0.8
145.10133	1.0
147.04422	5.2
147.08061	1.0
149.05963	1.8
150.06769	8.4
151.07526	3.5
161.05966	4.7
162.05527	1.3
162.06773	0.7
163.03865	0.6
163.07549	16.8
163.11156	0.6
165.05409	0.6
165.07773	0.9
165.09126	12.8
167.07089	0.9
175.07500	0.7
177.05466	1.5
177.09114	1.3
178.06210	1.4
178.09851	0.8
179.03191	4.7
179.07037	4.2
180.03491	1.8
190.04982	0.9
191.07001	1.1
193.08612	100.0
195.10172	0.8
197.04268	1.7
202.10762	0.6
203.07077	1.2
207.10199	2.8
234.30034	0.5
241.08385	0.6
242.05463	0.6
267.08719	0.6
282.04794	0.7
287.05408	1.5
288.05914	2.3
289.06927	2.0
290.07312	1.3
293.09982	0.6
323.12921	4.1
341.12564	0.7
355.15460	2.0
357.17050	1.7
408.11749	0.6
414.12482	0.7
416.50256	0.5
552.15631	11.2
557.61694	0.6
570.16693	21.4
570.29346	2.3
592.16656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40049	0.3
53.03947	0.3
67.05499	0.6
67.13918	0.3
67.89091	0.3
69.03432	0.4
69.07053	0.6
69.35058	0.7
69.35468	1.8
72.95522	0.3
79.05493	0.8
81.03392	0.4
81.07061	1.5
84.39995	0.3
85.02946	0.3
91.05481	1.3
93.07066	1.4
95.04967	0.4
95.08577	0.7
97.06503	0.4
103.05478	0.4
105.07045	0.9
107.04964	0.5
107.08578	1.3
109.06552	0.6
109.10191	0.6
119.05073	0.3
119.08534	0.7
121.06577	0.3
121.10166	0.4
123.11686	0.5
127.03911	0.4
131.04958	0.4
131.08588	0.4
133.10155	0.9
135.11708	0.8
145.10155	0.4
147.04411	1.0
147.11755	0.5
151.11168	0.4
156.03900	0.4
171.08095	0.3
177.05464	0.6
178.05779	0.4
193.08627	0.6
203.05298	1.3
222.08406	0.3
253.12892	0.5
259.07947	1.2
278.40317	0.3
331.10135	0.6
337.16330	0.4
407.24139	1.3
435.29968	0.3
457.20554	2.6
471.22018	4.0
487.21341	0.6
538.07446	0.3
569.29340	100.0
570.30182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2934
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
54.72024	0.4
55.05504	0.9
57.03440	0.4
58.00212	0.4
67.05506	0.7
69.07075	0.5
71.28339	0.8
79.05483	0.7
81.03405	0.7
81.07072	1.3
85.16413	0.3
91.05487	0.9
93.07046	1.1
95.04951	0.4
95.08595	0.6
96.75246	0.3
98.97594	0.6
105.03378	0.5
105.07065	0.8
107.04904	0.6
107.08603	1.2
109.06584	0.5
109.10160	0.6
115.11712	0.3
119.08572	0.6
121.10148	0.8
131.08617	0.4
133.10236	0.4
137.05927	0.4
141.26027	0.4
145.10222	0.5
147.04419	1.0
147.11732	0.6
163.11217	0.4
167.07034	0.3
177.05589	0.3
185.04329	0.5
203.05278	0.8
244.60362	0.4
253.12849	0.6
259.07956	1.3
303.67294	0.4
407.24149	1.1
457.20700	2.4
471.22101	4.1
487.21527	1.2
569.29333	100.0
570.29761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21898	0.5
55.05503	0.9
55.24830	0.6
56.96566	1.0
63.76627	0.5
67.05495	2.1
69.03422	0.9
69.07074	1.3
69.17493	0.6
71.55495	0.7
79.05488	2.0
81.03428	1.1
81.07055	2.6
84.96056	1.0
85.02911	0.9
88.69230	0.6
91.05478	1.8
93.07072	4.0
95.04968	1.1
95.08603	1.5
105.03380	4.2
105.07033	1.4
106.99651	0.6
107.04982	2.1
107.08599	2.5
109.02884	1.1
109.10142	1.2
119.08582	1.7
121.10112	2.8
122.10493	1.1
123.08117	0.7
125.00097	0.6
125.99303	0.5
131.08612	0.7
133.10155	1.2
135.11682	1.4
143.08592	0.6
143.10651	0.7
147.04428	2.9
147.99927	0.6
149.09644	0.8
173.05978	0.6
175.11320	0.6
185.04288	1.2
197.01250	0.7
204.18340	0.6
214.25374	0.5
237.47141	0.5
239.02104	0.7
253.13010	0.8
255.69624	0.7
267.15985	0.8
331.10010	1.1
349.09012	0.9
407.24139	1.9
457.20517	3.3
471.21948	4.9
487.21451	1.9
514.58087	0.7
551.29919	0.9
569.29346	100.0
570.29773	1.1
571.19965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1422
Annotation	Xylindein
Peak:m/z	Relative Intensity
55.60754	0.5
69.03416	1.1
70.01195	0.5
87.39394	0.5
97.00908	0.5
105.03401	11.9
107.04945	1.7
179.03191	0.9
197.02223	5.4
197.03889	0.9
221.83365	0.5
229.96051	0.7
233.90553	0.6
267.08768	0.5
305.04135	0.9
429.09097	0.8
459.86829	0.7
551.15118	1.3
568.25623	0.6
569.14240	100.0
570.14447	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1632
Annotation	6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one
Peak:m/z	Relative Intensity
50.01603	0.5
50.65230	0.3
51.02378	1.0
53.03742	0.3
53.03948	2.9
55.01883	0.3
56.33144	0.3
63.30622	0.3
69.03433	10.6
69.42348	0.7
69.42748	1.6
70.57620	0.3
77.03929	1.1
79.05496	2.1
81.03409	0.8
81.07063	0.3
85.02914	0.4
95.04971	4.3
97.02915	2.2
98.21512	0.5
99.04461	0.6
105.03397	100.0
106.03726	0.5
107.04961	10.7
108.05306	0.3
109.02882	1.2
109.06567	0.3
123.04462	1.1
127.03930	6.9
128.66318	0.3
129.03123	0.5
130.03932	0.6
130.06522	1.1
133.02650	0.7
135.04187	5.6
147.96776	0.3
161.02017	0.4
167.03195	0.6
167.07025	0.3
169.04762	0.8
179.03165	22.8
193.08653	0.3
197.04221	8.4
219.21387	0.3
241.08403	2.5
249.07536	0.7
259.31949	0.3
267.08649	0.6
271.05695	0.5
285.07437	2.0
289.06824	12.7
303.05081	1.6
303.08102	0.4
395.11038	1.8
397.12482	0.3
413.12137	3.6
507.16370	2.2
551.15265	38.3
552.15295	0.3
569.16315	80.9
570.16461	1.1
591.17120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.05499	12.2
57.07071	14.0
67.05506	23.4
68.51259	2.5
69.07073	16.8
70.06591	4.9
71.08610	5.1
71.55193	2.8
71.55635	3.3
79.05488	22.7
81.07053	34.6
83.04986	3.8
83.08600	9.1
85.06530	8.9
88.07635	5.1
91.05485	54.1
92.27875	3.0
93.07036	61.7
95.04968	7.1
95.08607	38.8
97.10161	3.1
102.09179	5.9
103.05470	6.6
105.07030	81.0
106.07825	3.1
107.08599	52.5
107.78622	2.7
109.10161	33.4
112.91277	3.3
113.99128	2.9
115.05432	5.5
117.07023	25.3
119.06174	2.9
119.08575	100.0
119.43491	2.8
120.09337	8.9
121.06506	2.7
121.10146	37.6
123.08099	3.3
123.11657	10.3
123.12525	3.4
125.09639	3.1
128.06198	10.6
129.07005	18.7
130.07755	5.6
131.08565	52.0
132.09326	5.4
133.10135	63.5
135.08064	5.3
135.11681	21.8
137.09573	6.9
141.06998	9.1
142.07745	14.9
143.08565	46.4
144.09317	12.5
145.10118	79.6
146.10849	3.5
147.03690	2.8
147.11697	25.2
149.09648	6.4
149.13271	4.9
153.06996	6.4
154.07716	3.1
155.08553	20.1
156.09328	19.2
157.10117	57.6
158.10927	8.1
159.11702	48.9
160.12340	2.9
161.09627	3.5
161.13232	12.0
163.11191	5.2
163.14760	4.5
165.06981	4.0
166.07822	4.1
167.08528	9.0
168.09265	7.5
169.10133	35.2
170.10876	9.3
171.11682	45.2
172.12408	3.8
173.13258	36.0
175.14810	30.2
177.12703	8.0
179.08582	10.9
180.09308	3.7
181.10138	20.7
182.10930	8.9
183.11688	34.0
184.12434	5.3
185.13225	25.5
187.14804	20.6
189.12726	4.3
189.16307	3.8
191.14297	7.6
193.10141	10.8
194.10876	13.8
195.11725	23.8
196.12416	11.1
197.13234	27.1
199.14896	13.9
201.12814	6.6
201.16368	11.6
203.14275	3.7
206.10928	5.1
207.11711	15.4
208.12434	8.1
209.13258	32.2
210.13965	5.4
211.14754	15.2
213.16461	4.6
217.15810	7.6
220.12460	5.2
221.13228	10.3
222.14108	4.5
223.14812	18.2
225.16341	12.7
227.14342	3.9
232.12524	4.5
233.13327	3.7
235.14842	11.3
237.16367	11.3
239.17990	10.0
241.19528	5.2
245.13132	3.7
247.14711	6.2
249.16382	7.8
251.18102	3.9
252.18697	4.5
253.19537	4.2
255.17387	7.4
257.18869	3.5
259.14899	3.5
261.16339	4.0
263.17850	5.8
265.19577	5.5
269.19028	3.9
270.19891	5.0
271.15176	3.1
272.21338	8.9
272.32410	3.2
273.22635	3.1
283.20535	9.4
284.29425	13.0
285.22134	4.1
289.19458	4.0
297.21988	3.7
298.23013	3.5
311.29272	9.5
323.23581	7.1
349.25375	4.4
362.25986	4.0
370.28671	3.8
375.26874	3.9
443.32730	4.0
476.36475	99.2
488.35745	3.5
568.42810	41.3
568.56519	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.7
61.75901	2.4
61.98976	2.5
66.20536	2.7
67.05504	14.5
69.03413	2.9
69.07056	11.3
69.22375	6.6
69.22774	19.7
79.05479	7.8
81.03408	5.8
81.06674	2.5
81.07063	21.8
83.08615	3.4
91.05460	8.6
93.07035	15.2
95.08608	25.3
97.06595	3.2
99.08134	3.9
105.07011	11.5
107.07980	2.8
107.08594	18.8
109.06531	4.1
109.10166	17.7
111.11707	4.5
117.07008	4.9
119.08579	14.1
121.10141	21.9
123.11695	14.4
125.09568	2.9
131.08560	9.3
133.10147	24.3
135.11728	16.3
139.11156	15.4
145.10124	12.7
147.08043	3.9
147.11682	12.3
149.09608	9.4
149.13234	9.6
151.07530	3.6
157.10100	5.2
159.11684	10.3
161.09569	3.4
161.13226	7.9
165.09122	6.5
167.07037	3.8
171.11720	5.2
173.13213	9.0
175.14795	7.3
179.10707	4.3
181.08623	4.0
183.10136	7.9
185.13158	5.0
195.10126	15.9
217.19563	2.8
219.17499	6.4
221.18985	2.8
229.19531	6.4
243.08569	7.8
243.21083	8.7
245.18956	4.8
247.20633	13.3
253.19632	2.7
261.22141	15.9
291.21054	2.9
313.24966	2.8
351.26776	4.2
377.28296	7.7
395.29282	13.1
405.27814	5.4
413.30573	4.0
423.29147	5.4
424.26498	3.2
441.30057	43.0
459.30911	4.4
469.29330	12.8
487.30524	26.2
505.31607	100.0
533.31177	42.9
538.78979	3.3
568.35022	77.4
585.80005	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	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.7
55.05500	12.8
57.07059	11.5
57.52392	4.1
67.05516	19.3
69.07059	14.1
69.95644	17.8
71.08653	4.5
79.05490	21.8
81.07060	40.6
83.08607	8.2
85.06532	6.0
88.07615	6.1
91.05478	34.1
92.16230	3.7
93.07063	48.3
93.23597	3.4
95.04973	41.6
95.08615	30.8
98.73624	3.3
105.07045	78.3
106.07813	4.9
107.08617	43.3
109.10178	18.2
115.05415	7.6
117.07028	24.1
119.08585	100.0
120.09380	9.8
121.10161	39.4
123.08067	18.9
123.11692	5.5
128.06143	4.3
129.07002	16.0
130.07774	10.4
131.08580	47.2
132.09346	8.5
133.10144	53.4
134.10899	9.0
135.08084	5.7
135.11736	17.2
135.88107	3.6
137.09607	6.6
138.10403	7.3
141.07013	7.7
142.07753	16.6
143.08572	41.7
144.09329	15.3
145.09048	6.5
145.10126	79.7
147.11685	27.1
149.09621	7.5
155.08580	19.9
156.09320	16.7
157.10146	45.2
158.10913	8.1
159.11693	40.7
160.12503	4.0
161.09572	4.7
161.13290	7.1
165.07002	4.3
167.08575	9.5
168.09340	7.0
169.10130	23.5
169.41924	3.6
170.10890	13.4
171.11703	34.4
172.12500	8.1
173.13261	26.1
175.14813	15.5
177.12752	4.2
179.08519	5.8
180.09312	5.9
181.10101	16.2
182.10910	10.1
183.11703	24.5
185.13222	27.8
186.13983	4.9
187.14842	18.2
191.14259	9.1
193.10106	9.2
194.10817	4.8
195.11684	19.1
196.12503	8.1
197.13225	23.9
198.13934	4.6
199.14818	8.2
201.12746	4.8
201.16400	8.1
205.10066	4.3
207.11630	5.7
209.13347	22.1
211.14841	20.1
213.16489	4.8
221.13255	8.5
223.14725	14.2
224.15640	5.8
225.16382	4.9
227.17885	4.3
235.14923	7.4
237.16360	7.9
239.18069	8.6
249.16464	6.1
255.17316	4.6
263.17987	5.4
265.19598	6.4
283.26279	5.1
284.29465	9.3
289.19189	4.6
297.21973	6.5
311.29327	12.7
323.23462	6.9
338.26050	42.3
362.26221	4.2
430.32104	16.2
458.34882	5.5
476.36835	23.3
568.42896	40.8
568.56421	30.7
595.83771	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	1.2
53.03946	3.4
55.05516	9.9
57.07068	6.9
59.05007	1.7
65.03939	2.2
67.05513	15.2
69.03416	1.4
69.07079	10.1
71.15456	2.2
76.14589	1.0
77.03925	1.4
79.05061	2.0
79.05492	23.4
80.06285	2.5
81.07061	30.9
83.04975	2.1
83.08620	4.9
83.39034	1.0
85.06548	3.7
91.05485	39.1
92.06264	2.0
93.07046	47.8
95.04974	36.6
95.08617	27.5
97.06534	2.1
97.10149	1.2
103.05459	3.0
105.04519	1.7
105.07037	75.8
106.07812	4.4
107.08603	38.6
108.09400	1.9
109.06538	6.2
109.10154	18.6
111.08086	1.5
115.05460	3.6
115.47959	0.9
116.06262	2.9
117.07021	22.2
118.07813	2.4
119.08586	100.0
120.09369	8.2
121.06514	2.5
121.10150	31.3
123.08058	15.4
123.11703	6.4
125.09644	2.6
128.06224	8.5
129.07021	18.2
130.07771	7.5
131.08575	46.6
131.87476	1.0
132.09378	10.0
133.10138	47.6
134.10933	7.4
135.08063	5.8
135.11699	17.5
137.09645	4.6
137.13292	1.3
138.10394	11.8
139.11208	2.4
141.06984	6.0
142.07785	16.7
143.08566	43.0
144.09338	12.1
145.10129	90.7
146.10896	5.0
147.08070	1.9
147.11702	24.3
148.08917	1.0
148.12486	1.5
149.09586	5.4
149.13264	4.4
151.11218	2.0
153.06953	2.9
154.07790	3.4
155.06070	1.0
155.08548	16.9
156.09366	14.3
157.10132	45.8
158.10901	11.0
159.11700	36.1
160.12469	3.6
161.09605	5.7
161.13272	7.5
163.11166	2.4
163.14819	1.4
165.07007	3.1
166.07840	1.7
167.08591	7.9
168.09338	5.6
169.10130	26.0
170.10934	9.8
171.11691	34.0
172.12495	7.5
173.09735	1.1
173.13266	29.2
173.14705	2.0
174.13994	1.8
175.11174	2.1
175.14838	19.4
177.12837	6.0
179.08583	8.6
180.09355	4.7
181.10123	14.2
182.10947	8.2
183.11707	25.8
184.12491	5.5
185.13274	22.0
186.14024	6.9
187.14821	14.0
189.12773	3.4
191.08609	1.3
191.14334	11.2
192.09354	2.0
192.15073	2.6
193.10107	6.2
193.15933	1.4
194.10892	8.2
195.11717	17.5
196.12457	9.3
197.13264	26.9
198.14084	4.9
199.14848	12.9
200.15474	1.4
201.12790	3.4
201.16411	7.3
203.14317	3.1
205.10234	1.7
205.15955	1.5
206.10800	2.4
207.11714	9.1
208.12505	3.7
209.13254	24.2
209.15115	2.0
210.14009	2.8
211.14862	17.3
212.15535	1.2
213.16425	4.8
215.14301	1.6
217.15883	5.4
219.11696	1.9
219.17493	2.9
220.12505	2.9
221.13232	7.6
222.14120	3.1
223.14809	8.4
224.15749	5.2
225.16405	9.8
226.17238	2.6
227.14407	2.2
227.17963	1.5
229.15950	2.2
230.16589	1.5
231.11780	1.8
231.17436	3.1
232.12614	1.1
233.13290	3.4
234.13974	1.9
235.14821	6.7
237.16446	8.6
238.17171	1.4
239.18010	5.0
241.19640	2.9
243.17606	1.2
245.13275	1.5
247.14911	2.7
249.16496	3.1
250.17168	1.6
251.17976	4.0
253.19543	3.3
255.17361	2.6
257.18954	2.5
259.14893	2.6
259.20642	3.2
261.16513	2.6
263.18005	4.3
265.19455	5.3
267.21133	2.4
269.19025	1.4
270.19730	1.8
272.21249	2.0
273.16251	1.1
275.18018	3.0
276.18710	1.3
277.19586	2.4
279.20941	2.5
281.18982	2.0
283.20706	3.4
284.29605	1.6
285.22131	2.7
287.17883	1.6
289.19617	2.1
291.21017	1.5
296.21472	1.5
297.22198	3.6
305.22681	3.8
309.22208	2.3
311.29410	1.9
321.25604	1.4
323.23657	7.6
331.23865	1.9
336.24426	1.5
337.25491	3.2
338.26059	57.0
349.25290	2.3
351.26959	1.7
362.26117	1.5
375.27048	1.5
415.30035	2.4
420.30185	1.7
429.31378	1.2
430.32263	17.1
458.35178	2.6
461.33682	1.1
476.36496	27.9
476.42856	2.1
568.42731	46.1
568.55713	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01867	2.5
55.05513	7.1
56.96559	3.3
57.03442	1.5
57.07081	1.6
60.40862	0.8
65.03946	2.2
67.05514	11.3
69.03433	12.6
69.07076	11.2
69.21888	3.4
69.22308	5.8
71.04994	2.0
71.08643	1.6
73.02924	0.9
73.81374	1.0
77.03913	1.2
77.04491	0.9
79.05497	9.3
81.03428	8.4
81.06590	1.6
81.07059	30.6
83.04975	2.7
83.08611	5.1
84.96034	1.8
85.02911	5.9
85.06538	3.4
91.05476	7.4
93.07047	13.6
95.04961	6.0
95.08609	30.2
95.13510	1.1
97.02906	5.6
97.06527	4.1
97.10203	4.9
98.97588	1.3
99.04439	2.4
99.08060	1.7
103.05472	1.9
105.03397	60.3
105.07025	11.0
106.03732	2.5
107.04963	12.8
107.08595	14.8
108.05279	1.7
109.02878	3.4
109.06553	2.5
109.10167	15.5
111.04452	2.2
111.08091	4.1
111.11706	1.6
115.05429	1.3
117.07016	1.7
119.04948	2.4
119.08587	8.1
121.02856	1.5
121.06504	3.2
121.10156	7.4
123.04442	3.8
123.08039	2.1
123.11721	8.6
125.05954	1.0
125.09637	2.7
125.48221	1.0
127.03936	8.5
129.05475	1.4
129.07018	1.3
131.04938	3.4
131.08563	4.3
133.02852	1.0
133.06488	1.6
133.10112	6.4
135.04260	1.3
135.08078	2.4
135.11729	6.6
137.05978	12.1
137.13260	3.0
139.11218	2.4
143.08597	1.4
145.10118	4.0
147.04456	5.5
147.11691	4.8
148.04710	1.2
149.06006	2.9
149.13260	8.7
151.03931	1.5
151.07553	2.5
151.11195	1.5
151.14795	4.9
153.05481	1.5
153.12778	1.4
155.08589	1.3
157.10149	2.3
159.08118	1.8
159.11664	4.5
160.78970	1.4
161.05981	2.3
161.09622	1.5
161.13275	4.0
163.03947	1.2
163.11179	1.9
163.14824	4.2
165.09203	1.2
165.12724	1.2
167.07086	4.7
171.11697	1.9
173.09570	0.9
173.13290	3.5
175.07576	2.5
175.11118	1.0
175.14879	3.8
177.05527	5.3
177.12794	1.4
177.16428	1.5
179.00266	1.1
179.03162	10.0
179.07039	1.0
179.14375	1.4
181.05006	6.2
181.12230	1.2
185.13318	1.1
187.11171	1.0
187.14882	1.2
189.16417	2.1
191.07031	1.9
191.14229	1.1
191.18007	1.2
195.00568	8.9
195.02698	5.3
197.01241	5.5
197.13318	1.1
201.12762	1.2
205.19615	1.2
209.08054	7.3
213.16348	1.3
215.14496	1.1
267.08670	4.0
271.24265	2.2
277.25427	1.6
287.23685	2.1
289.06842	9.9
289.25089	5.9
303.87585	1.0
305.03857	1.6
307.26224	2.9
331.26355	1.3
381.23148	1.3
387.28897	1.1
397.27396	4.8
403.28503	1.9
405.19275	2.1
415.28378	11.8
421.29294	2.6
429.08423	1.5
433.29501	18.4
439.30637	1.7
446.18393	1.1
451.30560	15.9
469.31479	2.6
567.12903	100.0
567.26550	5.6
568.13367	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
55.05510	8.4
56.96562	8.0
57.03431	7.1
57.07057	3.7
59.04994	5.0
67.05511	26.4
69.03424	12.1
69.07064	8.9
69.57928	3.3
69.88679	10.4
69.89088	6.9
71.04988	13.1
75.04475	7.2
79.05498	37.3
81.03430	15.3
81.07063	37.7
83.05010	5.2
83.08611	6.1
85.02897	11.0
85.06551	4.6
91.05475	22.3
93.07053	100.0
95.04976	9.8
95.08614	21.4
97.02887	5.7
97.06536	4.3
105.03387	6.1
105.07043	26.2
107.04958	13.5
107.08599	43.9
109.02898	5.2
109.06521	3.2
109.10162	22.1
111.08079	4.4
117.07009	3.4
119.04978	3.3
119.08588	23.5
121.06480	4.1
121.10146	80.0
123.04414	12.2
123.08080	10.3
123.11725	10.4
125.09648	11.9
127.11193	6.7
131.08582	8.3
133.10117	13.9
135.11728	34.8
137.09448	3.0
139.03885	3.5
139.11198	5.7
143.08557	3.9
143.10689	22.4
145.10129	6.8
147.04378	6.6
147.11700	10.9
149.09639	16.9
149.13226	8.6
157.10048	4.2
159.11693	3.5
161.13229	6.2
167.10698	20.4
177.12825	5.7
195.13750	4.1
197.01251	9.1
203.17996	11.4
221.18948	15.9
269.17468	2.8
270.18292	3.7
283.15326	3.4
311.14871	10.6
311.19745	3.9
321.02783	3.8
323.04526	4.3
327.10583	3.1
339.17831	5.0
352.87698	3.1
531.32990	3.7
567.32031	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2782
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.05490	0.7
57.03415	0.9
59.04971	0.7
61.37618	0.7
62.08942	0.7
67.05490	5.0
69.03408	1.8
69.07022	1.3
71.04951	0.9
71.54063	1.1
76.66151	0.7
79.05463	1.6
81.03421	4.3
81.07058	4.2
83.05000	1.0
83.08574	1.7
85.02882	0.8
87.98789	0.8
91.05437	2.0
93.06984	2.3
95.08570	1.4
97.06493	0.8
105.06992	1.0
107.04905	0.9
107.08524	1.0
109.02814	1.2
109.10080	2.9
117.06922	1.1
119.92654	0.7
121.10060	1.0
131.08501	1.3
132.49446	0.7
137.05904	0.8
147.04408	0.8
157.10013	0.9
159.11597	0.8
173.11693	1.0
195.13475	0.9
203.05167	1.6
251.12389	2.3
259.07712	2.1
283.14957	2.2
307.14917	1.9
331.09665	2.4
339.17581	2.2
349.02438	0.8
373.14374	0.9
387.20950	1.9
402.71640	0.8
405.21915	2.3
455.18475	1.3
469.20581	5.1
549.26648	20.6
567.27295	100.0
568.28320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
55.06844	0.2
57.03435	0.6
59.05004	0.4
67.05499	1.2
69.07069	0.5
70.51779	0.5
71.04993	0.8
79.05501	1.5
81.03412	1.4
81.07063	2.3
81.41502	0.2
83.04957	0.5
83.08620	0.5
85.02911	1.0
91.05475	1.8
93.07046	1.7
95.04976	0.8
95.08610	0.6
97.02868	0.4
105.07054	1.2
107.08595	0.9
109.06531	0.4
109.10162	0.6
111.08072	0.5
119.08591	1.2
121.10114	1.2
129.06966	0.3
131.08543	0.6
133.10127	0.8
135.11736	0.3
135.59456	0.3
147.11719	0.8
149.09625	0.8
152.13872	0.3
157.10133	0.4
175.11305	0.6
193.12329	1.0
203.18143	0.3
233.11600	0.6
251.12640	1.2
283.15170	11.4
285.17209	0.3
307.15225	1.0
333.18060	0.3
339.17752	5.2
409.51501	0.3
505.28586	0.3
567.31439	100.0
568.32092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01855	2.0
55.05507	10.4
56.96552	5.1
57.03422	3.6
57.07064	2.7
57.33568	1.7
67.05507	13.5
69.03436	8.1
69.07058	8.6
70.17082	5.4
71.04993	12.3
75.04471	9.0
79.05499	27.6
81.03427	9.5
81.07055	40.9
83.04965	1.9
83.08601	3.8
84.96004	2.1
85.02901	8.2
85.06559	2.2
89.61894	1.6
91.05485	20.0
93.07045	100.0
94.89690	1.5
95.04963	6.6
95.08602	18.6
97.02895	4.1
97.06517	2.7
97.10157	3.3
99.08082	2.8
103.05470	2.7
105.03395	2.5
105.07040	21.7
107.04943	7.1
107.08594	43.3
109.02890	2.7
109.06534	3.3
109.10167	17.2
111.04431	2.3
111.08081	6.2
117.07056	2.3
119.04992	1.8
119.08585	27.8
121.06501	2.7
121.10146	87.0
123.08055	7.6
123.11731	10.5
125.09618	11.9
127.03910	7.4
127.11208	7.3
131.04950	2.4
131.08549	5.2
133.10123	16.5
133.85030	1.7
135.08025	3.4
135.10689	3.2
135.11684	43.2
137.09612	3.4
139.11191	4.5
143.08650	1.9
143.10680	22.9
145.10101	4.1
147.04411	3.5
147.11676	9.7
148.76503	1.6
149.09612	14.4
149.13252	4.5
153.12724	2.4
157.10104	3.2
159.11688	4.4
161.09573	3.0
161.13257	7.4
163.07549	3.5
163.14772	1.7
167.10677	24.6
171.11652	2.4
179.00171	2.7
187.11148	2.7
197.01216	9.9
203.18007	18.3
215.02232	3.9
221.19034	22.9
228.53008	1.7
229.12483	1.9
293.13708	2.7
305.03537	2.5
311.15054	9.3
311.19861	3.2
321.02722	3.1
329.21231	2.0
429.08527	2.0
513.31647	2.7
567.30243	17.9
575.85840	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03932	2.3
55.01859	2.4
55.05492	1.2
56.96581	1.3
58.48787	1.1
65.03952	7.2
67.05511	2.1
69.03419	2.8
69.07057	1.5
71.56624	1.6
71.57026	1.3
75.04480	1.3
78.04708	2.7
79.05498	9.7
81.03410	2.6
81.07050	2.3
85.02882	1.6
91.05495	11.0
93.03423	3.5
93.07050	3.3
94.04219	1.4
95.04980	2.5
95.08590	1.6
97.02940	1.3
97.06528	1.7
98.97630	2.2
103.05457	4.4
105.03380	4.9
105.07032	12.1
106.04151	2.6
107.04970	15.1
107.08672	1.2
109.02854	1.4
109.06491	2.0
109.10162	1.5
110.03661	5.5
111.04444	7.0
115.05477	6.3
118.04146	3.5
119.04964	8.3
119.08596	2.9
121.02846	3.1
121.06487	2.1
121.10207	1.3
122.03667	1.9
123.04420	8.4
124.05180	3.5
125.05993	9.0
127.03886	1.1
128.06213	3.9
129.06961	7.3
131.04913	5.4
131.08556	1.4
131.21251	1.2
132.05688	3.4
133.02884	2.1
133.06483	8.8
135.04407	1.4
137.05986	12.5
139.03976	1.3
143.05000	1.5
144.05635	2.3
145.02864	3.2
145.06429	2.4
147.04428	12.1
147.08057	4.8
148.05119	1.4
149.06003	1.8
151.03931	8.9
151.07571	3.3
152.04668	3.3
153.01819	1.4
153.05476	38.8
155.04877	1.4
159.04408	1.4
159.08083	8.2
160.05226	2.6
161.05986	15.0
161.09608	2.0
163.07555	2.8
163.59389	1.2
167.07057	100.0
171.04428	1.4
171.08052	1.9
172.05183	4.2
173.05957	2.1
175.07570	23.5
177.05473	8.2
179.07065	7.7
181.04965	1.6
184.05188	1.7
187.05922	1.3
187.07562	25.0
189.05481	7.3
189.06972	2.4
190.07831	4.2
191.07040	9.3
191.08522	3.1
199.07558	10.2
202.07791	4.1
203.06883	1.4
203.08575	5.1
205.06544	2.4
206.07320	4.3
207.08040	2.5
209.08049	2.4
211.07542	1.5
215.08739	2.1
216.07806	3.6
217.06444	2.1
218.07361	6.0
219.08078	6.9
220.08896	3.1
221.09596	5.7
222.07047	1.5
223.07637	2.4
229.08617	3.8
231.08208	6.1
232.08777	1.9
233.05968	4.3
233.09671	5.0
234.06790	4.7
235.07561	5.5
236.08324	2.0
237.09166	2.7
241.08603	1.4
242.79337	1.4
243.08156	1.7
246.06772	3.3
247.07507	7.2
248.08345	5.1
249.09195	6.6
251.06995	2.8
251.10698	4.5
253.08698	1.3
259.07581	2.6
260.08444	1.9
261.05466	2.3
261.09140	6.6
262.06281	1.4
262.09836	1.6
263.07056	3.8
263.10614	1.5
264.07727	3.9
265.08694	8.1
271.06015	7.3
274.06149	1.7
275.07053	4.0
276.07846	10.1
277.08578	7.3
278.09415	3.8
279.10135	3.4
281.08990	1.6
281.11664	8.3
287.05487	10.3
288.07794	2.0
289.08533	4.8
290.09366	2.9
291.07043	1.1
291.10150	6.1
292.07370	1.9
293.08093	4.3
293.11618	2.7
294.08905	2.5
295.09473	1.6
304.07214	2.2
306.08798	3.0
307.09607	16.8
308.07269	1.4
308.10422	5.0
309.11307	9.9
319.06372	1.8
319.09564	10.2
320.10541	1.5
321.07455	1.9
321.11087	10.6
323.12790	5.9
326.11368	1.4
329.11005	1.7
336.09964	1.5
337.10770	2.6
339.12308	58.2
341.13892	24.2
351.12265	26.6
353.13821	8.2
369.13397	2.1
451.88153	1.2
478.16272	2.1
499.17181	2.1
567.14465	3.8
567.28534	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	567.1474
Annotation	Isoporiolide
Peak:m/z	Relative Intensity
51.02367	1.0
53.03949	4.2
55.01858	0.6
56.87174	0.5
58.83167	0.5
67.05492	1.2
69.03087	0.9
69.03436	12.1
69.07092	0.7
71.04943	0.7
71.52771	0.8
73.39158	0.6
77.03927	0.9
79.05497	2.7
81.03412	2.2
81.07068	1.3
84.96032	0.8
85.02911	1.3
91.05478	2.1
93.07049	1.1
94.04195	0.6
95.04981	4.8
95.08601	1.1
97.02903	1.7
99.04463	0.7
103.05480	1.2
105.03397	100.0
105.07001	1.3
106.03709	1.0
107.04961	2.2
107.08561	1.2
109.02877	1.6
115.05491	1.1
117.06966	1.0
121.06548	0.8
121.10204	1.0
122.03680	0.7
123.04465	3.4
127.03917	7.1
129.07045	0.8
131.04964	1.6
131.08604	0.7
133.02831	2.7
133.10095	0.7
133.34869	0.6
135.04184	7.7
137.05994	8.8
144.01889	0.9
144.05791	0.6
145.02658	5.1
145.06474	0.9
147.04387	1.8
149.06026	0.9
151.03960	1.0
151.07567	1.0
159.11684	0.7
161.02174	0.7
161.05994	1.0
163.07520	0.9
165.05554	1.1
167.03136	0.7
167.07065	6.1
173.06026	0.8
175.07556	0.9
177.05519	2.4
179.03163	68.3
181.05028	1.0
189.09161	0.8
191.07088	2.3
195.00629	1.0
201.09105	0.6
205.08531	0.7
217.08708	1.5
231.06570	0.6
235.09827	0.8
241.08684	1.3
249.07578	0.8
257.08038	1.5
267.08777	1.6
269.07977	0.7
271.06061	1.5
277.08539	0.6
285.07492	0.8
289.06830	32.7
299.09238	0.9
300.09836	0.6
301.06943	2.8
301.10266	0.7
306.08786	0.6
314.11316	1.4
319.88382	0.6
329.10187	5.1
365.14136	0.7
367.15277	1.1
369.13351	0.6
411.10513	7.2
445.11008	0.7
478.16391	2.4
523.15717	1.1
549.21588	1.3
567.14569	78.3
567.27612	6.7
568.14636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1265
Annotation	Ginkgetin
Peak:m/z	Relative Intensity
53.03930	0.5
56.96568	1.7
69.03433	1.9
70.12588	0.4
79.05505	0.7
81.03396	0.6
81.07066	1.8
83.08640	0.5
84.96040	1.7
91.05517	0.5
93.07085	0.5
95.04984	1.0
95.08610	0.7
105.03394	12.2
105.07121	0.5
106.03744	0.5
107.04969	1.8
107.08584	0.5
109.10124	0.5
109.64458	0.4
119.08569	0.5
121.10141	0.6
127.03941	1.4
135.11656	0.6
145.00586	0.6
149.13300	0.5
153.01859	1.5
170.99738	0.9
177.05524	0.7
177.73500	0.4
179.00139	2.3
195.00571	8.6
197.01259	5.3
201.00806	0.5
215.02243	1.9
219.01801	0.5
267.08908	0.6
287.05530	25.1
303.01855	0.7
305.03836	2.0
306.25150	0.5
321.02853	1.4
323.04465	0.9
324.26450	0.5
339.04095	0.5
379.21790	0.5
411.07596	1.3
429.08774	1.6
450.29596	0.7
461.08554	0.5
523.13776	0.7
567.12659	100.0
568.12878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
54.74116	1.5
55.01851	2.7
55.05513	1.8
56.96562	1.7
57.03441	3.5
57.07078	100.0
58.92142	1.4
61.02916	1.4
65.03931	2.7
67.05486	1.7
69.03431	30.2
71.04984	3.7
71.57137	1.5
73.02911	1.7
77.86639	1.3
79.05498	3.0
81.03423	43.7
81.07041	3.6
82.55527	1.4
85.02440	2.0
85.02913	27.6
85.06541	15.7
87.04476	2.3
91.05484	5.5
93.07034	2.2
95.04980	3.1
95.08614	2.9
97.02896	38.9
97.06533	2.4
98.97599	2.7
99.04508	6.9
103.03947	1.7
103.07581	6.1
105.03397	6.0
105.06979	3.0
107.04958	14.4
107.08642	2.7
108.05238	1.7
109.02886	26.5
111.04440	5.4
119.04922	2.7
121.02886	7.7
121.06481	1.6
121.10223	1.8
123.04430	2.5
127.03922	33.5
131.04959	3.4
133.02881	2.1
135.04442	3.0
137.05995	10.8
139.03899	25.7
145.02840	5.2
145.04958	11.4
147.04413	6.4
149.02342	31.8
149.06033	3.0
150.03162	3.1
151.03905	4.7
153.00581	3.3
153.01828	63.9
157.06372	2.1
161.06038	3.3
161.09708	1.6
163.03908	6.6
163.07678	1.5
165.01797	2.6
167.03398	5.3
167.07048	6.6
173.02290	1.5
173.06065	2.1
177.01958	3.1
177.05458	5.7
179.03458	3.0
181.04993	1.8
187.09569	1.9
191.03391	3.6
191.07042	2.1
195.02908	21.8
197.10783	1.9
201.05475	4.4
205.04921	2.3
209.08040	2.0
219.02939	9.9
229.04959	8.7
229.10710	54.5
231.08218	1.7
236.10530	2.7
243.11304	2.7
247.06020	17.8
247.11728	14.3
257.04364	3.8
261.03958	3.4
271.06046	2.7
272.12582	1.6
275.05499	32.9
291.09988	1.6
299.05334	2.9
299.13974	3.5
303.05008	18.3
307.09454	1.7
317.06622	3.2
317.85147	1.9
321.06042	64.3
327.05023	3.2
331.04538	1.8
341.06598	2.2
345.06049	5.5
358.12897	2.2
363.06976	3.1
369.21198	1.4
381.11884	2.0
390.93280	1.5
393.05969	1.9
398.15997	2.7
405.17911	8.0
411.07077	3.5
429.07965	3.4
549.21667	2.7
567.22699	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	566.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.6
67.05501	3.2
69.07067	4.2
71.26434	1.8
71.26766	2.1
79.05474	1.7
81.07053	6.8
83.08652	1.3
85.06548	1.7
91.05519	1.9
93.07037	5.3
95.08617	10.7
99.08092	1.7
101.06022	3.8
105.07056	4.0
107.08602	5.0
109.10159	7.0
119.08606	4.0
121.10158	6.3
123.11727	5.0
129.05492	9.9
133.10132	8.7
135.11720	4.4
140.15047	1.3
145.10156	2.8
147.11710	3.5
149.13297	2.3
157.08574	2.1
157.10098	1.7
159.11685	3.9
161.13315	2.8
166.11499	1.4
167.14439	1.3
171.11670	1.9
173.13274	3.9
175.14893	1.7
185.11761	3.0
185.13329	1.9
187.14847	3.2
201.16432	1.4
229.19539	3.3
234.23228	1.5
239.18002	1.6
241.19627	1.7
255.21071	3.0
257.22656	13.2
277.13965	1.8
283.24106	2.5
295.24097	1.8
297.26080	2.0
301.21637	3.5
313.28848	2.7
319.22714	2.1
357.24249	1.9
357.28036	5.1
359.25760	1.8
377.31586	1.5
421.31226	4.0
439.32108	14.1
441.33655	23.8
449.30374	3.7
457.33353	2.5
468.06519	1.6
485.32642	32.5
503.33755	2.8
566.32574	4.8
566.40533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08782	0.8
51.80130	0.8
53.03940	1.7
55.01879	1.5
55.05510	4.7
56.96564	1.5
57.03431	2.8
60.79340	0.8
64.83955	0.8
65.03954	1.4
67.05173	1.2
67.05502	8.2
68.05853	0.9
69.03414	3.2
69.07077	7.1
71.05015	5.4
71.56734	1.6
71.57112	1.0
72.65111	1.1
75.81138	0.9
76.66272	0.8
78.18189	0.8
79.05501	9.6
81.03426	4.5
81.07063	29.0
82.07380	1.5
83.04995	1.2
83.08611	2.5
85.02902	3.3
85.06541	1.2
86.04595	0.9
91.05486	13.7
92.05779	1.0
93.07050	13.1
94.07406	0.9
95.04961	2.6
95.08608	7.3
96.08956	1.2
97.02878	1.6
97.06519	3.7
97.10167	1.6
98.97645	1.0
103.05465	1.0
105.03386	4.8
105.07035	9.2
106.07372	1.0
107.04990	4.5
107.08604	14.5
109.02856	1.7
109.06508	1.5
109.10152	10.0
117.07019	2.0
119.04949	20.0
119.08597	11.2
121.06624	1.0
121.10150	4.1
123.04423	3.2
123.11677	3.8
125.09586	2.2
127.03941	1.0
127.11194	3.5
129.07002	0.9
131.04921	2.8
131.08577	1.8
133.10159	11.1
135.08112	0.9
135.11694	21.3
137.05939	1.4
137.09595	1.0
143.08620	1.0
143.10681	5.2
145.02872	0.9
145.10106	2.4
147.04419	100.0
147.11687	6.8
149.05914	1.0
149.09616	2.0
149.13251	2.1
157.10112	1.2
159.11760	0.9
161.09642	0.9
161.13286	3.1
163.03934	2.4
163.11134	1.0
165.05490	2.6
175.14897	1.1
177.05498	2.0
189.09207	1.1
203.17961	12.7
221.19006	14.6
229.14362	2.2
255.06525	1.4
256.16299	1.5
269.17429	1.5
270.17755	1.6
276.20560	1.9
286.17328	1.0
309.09711	5.1
311.20068	1.2
349.23615	2.8
350.24112	4.7
407.18317	0.9
521.19617	1.4
549.52789	1.0
565.18622	3.7
565.31061	4.7
576.16113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.1
55.01867	2.5
55.05517	22.3
57.07063	3.2
65.03926	3.3
67.05508	22.3
68.09089	1.7
69.03433	17.6
69.07074	26.0
71.04983	3.8
71.54605	2.2
79.05498	20.0
81.03419	20.1
81.07060	52.9
83.04980	4.0
83.08630	7.9
85.02908	7.6
85.06552	3.8
91.05497	12.8
93.07053	32.4
95.04991	13.3
95.08015	1.3
95.08614	36.2
97.02899	6.9
97.06533	7.6
97.10171	24.7
97.33633	1.8
99.04472	4.3
101.73543	1.8
105.03396	100.0
105.07032	21.2
106.03726	25.5
107.04962	45.3
107.08595	33.9
108.05274	12.5
109.02901	13.8
109.06563	5.0
109.10160	22.5
109.80772	2.0
111.04459	3.0
111.11714	3.7
117.07027	4.0
119.04932	7.5
119.08578	22.2
121.06498	5.3
121.10150	26.2
123.04443	5.4
123.08070	2.6
123.11696	21.7
125.09621	8.6
127.03922	13.6
128.04277	1.9
129.07071	2.2
131.04950	5.1
131.08554	7.5
133.10143	16.6
135.08076	2.6
135.11699	16.3
137.05977	7.4
137.09656	4.3
137.13275	7.5
137.62039	2.0
139.11174	7.8
143.08571	3.7
145.10112	10.6
147.04408	37.8
147.11699	15.8
149.05914	2.0
149.13258	20.1
151.07588	3.0
151.11252	2.7
153.12714	2.6
157.10118	4.1
157.12289	4.0
159.08092	2.6
159.11714	8.1
161.13257	9.4
163.11218	2.5
163.14865	6.3
163.98463	1.8
165.12822	2.7
167.07059	6.6
167.10750	2.3
171.11641	3.1
173.09570	3.1
173.13246	5.0
174.27278	2.0
175.14857	3.8
177.05394	2.7
177.16383	2.2
183.11717	1.9
187.14882	2.4
189.16365	4.3
191.14388	2.2
199.14745	3.7
203.17944	2.7
209.15463	2.2
213.12669	4.3
225.16386	2.3
231.06502	3.2
249.07651	4.6
250.07941	2.9
259.24365	2.1
267.08655	23.1
268.08981	18.3
277.25369	4.5
287.23721	5.7
293.24643	3.6
297.07501	2.1
305.24704	18.0
323.25928	5.4
355.15201	2.6
367.22528	2.5
383.25610	3.0
385.27399	3.7
395.25812	5.9
401.26923	5.2
413.26837	15.1
419.27905	5.5
431.27963	24.3
437.28720	4.7
449.29010	37.0
455.29807	2.7
467.30011	15.5
485.31104	2.9
565.25977	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	565.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01860	0.5
55.05510	1.7
56.96560	0.4
57.03423	0.8
57.07068	0.5
59.04994	0.4
65.03934	1.4
67.05500	2.7
69.03131	0.4
69.03432	3.4
69.07062	1.5
69.38887	0.9
69.39295	1.8
71.05008	1.9
79.05494	4.0
81.03417	3.7
81.06586	0.6
81.07058	10.6
82.16406	0.3
83.04968	0.7
83.08608	1.1
84.78520	0.3
85.02911	2.9
91.04904	0.7
91.05481	14.5
92.05814	0.3
93.07053	5.1
95.04971	0.9
95.08591	3.1
97.02891	1.7
97.06533	1.4
97.10206	0.7
98.20796	0.7
99.04474	0.4
99.08085	0.5
103.05486	0.4
105.03386	1.1
105.07028	4.1
107.04973	2.6
107.08599	4.9
109.02880	1.5
109.06502	0.4
109.10178	3.2
111.04497	0.5
111.08089	0.5
115.88402	0.3
117.06979	0.6
119.04949	16.3
119.08587	5.1
121.06513	0.8
121.10147	1.6
123.04415	1.8
123.11772	1.8
125.09620	1.5
127.03906	1.6
127.11173	1.6
129.06989	0.4
131.04939	1.1
131.08554	1.0
133.06526	0.5
133.10129	4.1
135.04269	0.9
135.11691	10.3
137.05966	2.1
143.08607	0.4
143.10698	1.7
145.04991	0.5
145.06476	0.4
145.10117	0.7
147.04414	100.0
147.11681	3.0
148.04755	0.8
149.13304	0.5
151.03914	0.4
153.12776	0.6
157.10167	0.5
159.04439	0.4
159.11707	0.4
159.90471	0.3
161.06029	0.4
161.09679	0.3
161.13274	1.3
163.04016	0.7
163.11179	0.5
165.05501	4.3
167.07054	1.2
173.06085	0.3
177.05493	0.6
179.03172	3.0
181.04944	0.4
189.09079	0.4
193.12282	0.7
201.16557	0.4
203.17949	4.7
219.10184	0.5
221.19011	5.4
229.14520	0.6
241.08440	0.7
257.04465	0.4
265.12460	0.3
267.09006	0.6
273.14871	1.1
285.10071	0.6
291.08768	1.7
297.87982	0.3
301.14465	0.8
303.08301	2.2
304.08508	0.4
309.09729	7.1
333.17059	0.6
339.23557	0.4
350.24384	0.4
355.15506	0.5
367.23026	0.4
387.14532	1.3
409.12683	0.6
521.17688	0.6
521.30945	1.2
529.27856	0.9
547.28644	0.4
565.16809	11.0
565.30341	2.4
566.16412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3011
Annotation	Daechuine S10
Peak:m/z	Relative Intensity
53.03933	0.8
55.05507	1.2
65.03941	0.7
67.05507	3.1
69.03425	3.1
69.07064	1.6
71.04986	1.8
71.55616	0.5
79.05498	3.4
80.57607	0.5
81.03420	2.5
81.07059	10.3
83.04957	0.6
83.08593	0.5
85.02899	1.9
91.05482	14.9
93.07036	4.3
95.04966	0.6
95.08612	2.8
97.02894	1.6
97.06549	0.6
105.07030	3.7
107.04923	2.8
107.08599	7.0
109.02886	1.7
109.10154	3.0
117.07045	0.6
119.04116	0.9
119.04948	17.8
119.08582	4.7
121.10159	1.1
123.04414	0.6
123.11729	1.7
125.09634	0.8
127.03903	2.6
127.11177	1.8
131.04866	0.8
131.08504	0.7
133.10139	3.2
133.16924	0.5
134.10434	0.5
135.04301	0.8
135.11691	9.1
137.05997	1.1
139.11295	0.5
143.10692	2.3
145.06581	0.6
145.10181	0.7
146.19337	0.5
147.04410	100.0
147.11696	2.4
148.04701	0.8
149.05875	0.6
149.13289	1.2
153.12735	0.7
161.13255	1.6
165.05487	4.2
177.05441	0.6
179.03171	2.2
193.12459	0.6
193.35550	0.6
203.17929	4.6
209.81990	0.6
221.18956	6.0
229.14513	0.7
291.08640	1.7
303.08435	2.2
309.09647	6.5
349.23608	0.6
414.10901	0.5
446.42490	0.6
521.17554	1.4
565.16858	12.0
565.26880	0.9
565.29901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3009
Annotation	Daechuine S10
Peak:m/z	Relative Intensity
53.03918	2.5
55.05496	7.3
56.96553	2.8
57.03432	1.8
61.02911	3.0
65.03931	2.6
67.05508	14.8
69.03403	4.0
69.07062	8.0
69.17068	17.4
71.04969	6.1
71.56651	1.7
72.73235	1.7
79.05502	14.3
80.05795	3.3
80.68840	2.2
81.03402	6.2
81.07059	32.6
82.07360	1.9
83.04943	4.0
83.08615	3.8
85.02898	3.2
91.05481	23.2
93.07054	16.5
95.04948	4.9
95.08597	11.7
97.02894	4.2
97.06509	6.1
97.10166	2.6
105.07021	10.8
107.04953	4.1
107.08588	19.5
109.10145	12.8
111.08044	2.7
117.06986	2.4
119.04230	2.3
119.04951	23.0
119.08574	13.8
121.10118	8.0
123.04407	7.2
123.11676	4.9
125.09625	5.2
127.11192	5.5
131.04906	4.8
131.08513	4.0
133.06473	1.7
133.10185	11.4
135.11687	22.6
137.05896	2.3
139.11159	1.7
143.10643	3.3
146.10413	2.2
147.04411	100.0
147.11707	8.6
149.09604	1.9
149.13208	2.9
157.10054	2.8
159.11717	2.7
161.13245	5.2
163.03947	2.0
165.05510	3.4
178.13071	2.0
182.78529	1.7
186.07436	1.8
203.17984	11.5
221.19031	13.4
239.19978	2.2
255.15985	1.8
256.16339	1.8
269.17465	3.8
270.17700	7.9
271.05957	2.2
276.20413	4.4
285.10126	2.8
288.64255	2.0
293.12405	2.3
309.09506	2.1
318.85135	2.0
349.23865	2.7
350.24155	9.2
368.24902	2.4
409.12726	2.4
475.18597	2.3
565.30170	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	565.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.57003	0.9
57.03436	2.0
61.02917	3.8
65.35605	0.9
69.03442	6.9
69.68090	0.9
69.68432	5.7
71.04996	1.1
73.02898	1.3
79.05500	6.7
81.03423	2.9
81.07059	46.5
85.02910	40.3
85.15575	0.9
87.04474	1.0
91.03983	2.3
95.04992	1.4
97.02897	11.6
98.21486	1.8
98.97591	4.3
99.04472	1.8
99.08099	44.0
107.04961	100.0
109.02896	3.6
115.07498	1.2
116.98674	1.6
124.99987	0.8
127.03935	10.0
137.06003	1.9
145.04970	18.9
158.99660	1.4
163.06038	7.2
219.01778	1.8
231.05240	1.1
243.12207	1.7
279.14334	6.9
335.10062	1.3
338.73889	0.8
565.16443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.8
67.05506	17.0
67.45013	2.9
67.67992	2.9
69.07078	17.7
69.73833	15.3
72.63661	2.9
79.05476	9.7
81.07038	24.5
83.04919	4.1
83.08598	3.9
91.05464	9.7
93.07040	22.8
95.04987	5.3
95.08604	36.1
97.10158	5.6
98.20756	5.4
105.07047	16.8
107.08590	16.5
109.06509	4.2
109.10159	26.1
109.92168	3.2
111.11697	7.4
112.55341	3.0
117.07063	3.6
119.08567	13.8
121.06485	16.4
121.10144	30.4
123.08069	5.7
123.11697	14.4
129.07016	3.2
131.08566	6.6
133.10126	24.0
135.08075	4.4
135.11717	16.0
137.13251	4.7
143.08540	4.8
145.10153	14.9
147.11687	9.8
149.05988	3.4
149.09596	3.6
149.13245	5.4
151.07555	5.4
157.10147	4.9
159.11685	8.9
161.09641	3.7
161.13251	6.8
171.11691	10.8
173.13293	18.1
175.14850	3.5
177.16324	3.3
185.13248	7.6
187.14807	15.7
197.13261	6.7
199.14885	8.1
201.16354	6.0
203.17921	4.2
211.14749	5.1
213.16304	5.5
215.14369	3.5
222.91856	2.9
229.19476	6.2
257.22604	18.0
265.19565	4.6
285.14853	3.7
315.19519	5.1
329.21060	28.2
341.21033	11.9
357.20633	5.7
381.28156	3.7
405.27768	8.2
407.29581	5.3
423.28891	56.0
425.30475	45.1
433.27277	6.7
451.28391	9.5
453.29971	27.8
455.31403	4.2
469.29462	100.0
483.31079	15.5
497.28979	38.7
529.31598	97.9
546.34003	65.5
564.34332	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	564.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.3
55.01880	3.1
55.05515	18.3
57.03438	10.6
57.07088	4.0
65.03929	3.8
67.05181	5.2
67.05511	77.2
69.07073	27.8
71.05006	7.8
71.14622	7.1
73.27219	2.8
79.05499	43.0
81.06588	5.6
81.07063	94.2
83.04984	7.0
83.08630	13.3
84.40173	2.7
85.06527	3.0
85.58614	2.9
91.05493	25.9
93.07046	74.1
93.07632	4.4
95.04963	5.5
95.08607	40.0
97.06513	6.7
99.08062	2.7
105.07043	19.6
107.04977	3.8
107.08598	38.3
109.10161	12.7
111.08110	5.8
117.07033	9.4
118.31152	2.5
119.08600	13.9
121.06510	5.9
121.10143	25.6
123.11670	4.0
131.08588	11.0
133.06506	5.8
133.10126	9.7
135.11702	12.8
137.09573	4.2
145.10098	3.7
147.11667	8.6
149.13274	27.0
159.11707	15.9
161.13303	4.3
173.13297	3.8
175.11211	10.5
177.12758	34.1
195.13864	9.8
201.16553	3.6
207.13777	3.8
219.13794	20.0
241.12288	4.5
243.21162	4.0
261.22128	10.4
269.17490	63.3
302.33588	2.5
327.19479	8.2
335.25845	85.1
335.29953	5.4
529.38910	100.0
564.26965	9.7
564.39276	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	564.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.0
55.01881	10.8
55.02101	2.6
55.05515	21.9
56.10555	1.4
56.96547	3.0
57.03441	19.1
57.07067	2.6
57.26347	1.6
59.05003	1.8
60.06367	1.6
61.02916	6.7
65.03915	2.5
67.05507	60.3
69.03442	12.0
69.07072	29.9
69.32481	10.9
69.32884	3.2
71.01374	2.3
71.04984	6.5
71.08602	1.8
73.02896	2.8
75.54350	1.9
79.05066	3.5
79.05495	46.2
81.03424	14.1
81.07059	71.0
83.04984	13.5
83.08630	16.8
85.02904	11.4
85.06538	5.0
91.03952	3.0
91.05489	41.2
93.07047	64.1
95.04978	11.1
95.08611	31.0
95.09189	3.4
97.02895	7.9
97.06538	25.8
97.10180	8.8
99.08098	4.6
103.03963	2.6
105.03364	3.6
105.04510	2.0
105.07040	31.3
107.04949	13.1
107.08604	34.5
109.02872	2.9
109.06544	3.9
109.10159	13.7
111.08098	9.2
117.07014	14.4
119.04899	2.0
119.08598	24.3
121.06539	3.9
121.10152	21.3
123.04412	2.6
123.08069	4.2
123.11715	6.7
125.05923	1.8
125.09638	6.9
127.03889	4.5
129.05411	2.5
129.07010	5.1
131.04912	3.3
131.08575	19.0
133.10127	25.1
135.08070	6.6
135.11699	24.2
137.05968	2.3
137.09656	2.3
141.07013	3.5
143.08546	4.3
145.10135	16.0
147.04407	10.3
147.08044	2.2
147.11713	12.3
149.02350	2.3
149.09630	16.3
149.13257	22.3
151.11191	2.6
155.08571	2.3
157.10123	5.4
159.11703	24.6
161.09563	2.8
161.13237	5.8
163.03940	2.0
163.11157	13.7
169.98260	1.9
171.10251	2.0
171.11684	3.7
173.09705	2.1
173.13297	6.2
175.11163	3.7
176.20010	1.9
177.05513	2.3
177.12791	25.0
179.14282	9.8
181.12167	2.1
183.11705	2.2
187.11089	3.2
195.13788	7.3
197.13220	3.3
227.12808	5.4
229.14235	4.7
233.15224	2.3
239.18033	6.0
247.20609	3.5
251.16487	4.7
255.15927	53.7
257.19089	11.4
267.15823	2.1
269.17480	100.0
271.06396	1.6
275.20062	33.8
282.11435	1.9
293.21149	3.5
309.20605	3.7
331.22638	2.4
349.23749	80.8
367.24731	25.3
389.18146	1.9
413.21576	2.1
417.21341	2.4
511.29022	4.4
521.19971	2.3
564.30328	2.0
565.19012	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
53.75288	2.7
55.01869	7.8
55.05508	21.4
56.96565	5.9
57.03437	19.1
57.07053	4.7
57.77412	2.9
58.84776	3.1
61.02919	9.4
65.03937	4.0
67.05506	73.3
69.03434	19.3
69.07069	38.0
71.04996	9.3
71.12285	4.6
71.12593	3.6
79.05492	50.7
81.03436	19.9
81.07059	97.2
83.04988	18.5
83.08620	18.9
84.96055	3.6
85.02914	12.7
85.06534	6.0
87.04440	3.3
91.03944	4.2
91.05486	48.5
93.07045	70.3
95.04966	13.0
95.08606	40.1
97.02889	8.0
97.06533	33.5
97.10172	7.7
98.97606	4.4
99.04475	3.5
99.08115	4.3
103.03871	3.6
103.05452	7.5
105.03422	3.1
105.07023	42.4
105.83896	2.9
107.04970	16.3
107.08601	52.5
109.02851	3.2
109.06512	7.5
109.10165	20.2
111.08110	9.5
117.07011	18.7
119.04980	11.8
119.08602	33.3
121.06422	7.1
121.10149	33.5
123.04435	7.4
123.08067	5.3
123.11732	8.4
125.09612	6.6
127.03909	5.2
129.06967	5.7
131.04916	9.7
131.08546	23.8
133.10127	29.8
135.08061	6.2
135.11719	22.7
137.05992	4.0
137.09595	4.4
139.11227	3.6
143.08556	5.3
143.10646	3.5
145.04869	3.2
145.10168	16.4
147.04410	46.5
147.11700	16.8
148.04684	6.9
149.09637	14.7
149.13277	20.2
151.11211	4.0
155.08601	3.7
157.10173	6.4
159.11703	30.9
161.13271	7.7
162.12863	3.3
163.03891	3.1
163.11195	11.5
171.11769	3.3
173.13223	7.7
177.05518	4.7
177.12740	24.9
179.14348	12.7
181.12242	5.4
195.13832	9.8
203.18054	4.2
221.18990	5.4
227.12862	6.3
232.02318	3.3
233.15375	4.2
243.25188	2.9
244.93050	3.1
251.16422	5.2
255.15936	47.0
257.19077	8.2
267.15881	3.8
269.17484	100.0
271.06046	58.5
272.06348	67.9
275.20132	31.1
309.20667	5.1
349.19788	5.7
349.23746	55.6
355.15311	4.1
367.24899	17.0
409.22552	3.3
511.28986	3.7
534.90137	3.0
564.28369	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
51.02385	0.3
53.03948	2.9
61.02926	0.5
69.03433	8.3
69.27541	1.6
77.03922	1.2
79.05496	2.7
80.54823	0.3
81.03448	0.3
85.02903	0.8
95.04970	2.5
97.02891	1.4
98.21570	0.5
99.04448	0.7
104.08932	0.2
105.03396	100.0
107.04960	45.3
109.02893	1.1
112.84130	0.2
113.85827	0.3
123.04443	1.0
127.03927	8.1
144.63730	0.2
145.04936	0.9
147.04504	0.4
170.60886	0.2
177.05428	0.3
189.05461	0.3
211.85013	0.3
231.06525	4.7
249.07616	4.0
265.06955	0.3
267.08643	36.5
373.12585	0.3
503.40979	0.2
593.00854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01865	8.1
55.05514	31.4
57.03438	11.8
57.07089	2.8
65.03931	4.7
67.05508	95.6
69.03407	3.4
69.07075	24.4
70.09263	9.8
71.04983	6.7
79.05073	3.8
79.05499	52.4
81.03062	1.9
81.03437	20.4
81.07059	99.5
81.07532	5.3
83.04984	14.8
83.08617	20.8
85.02898	8.7
85.06538	4.2
91.05481	51.0
93.06506	1.5
93.07045	59.7
95.04961	11.0
95.08613	63.6
97.02891	2.4
97.06526	10.2
97.10172	19.4
98.21527	2.4
99.08089	3.3
105.07038	44.1
107.04974	4.5
107.08606	40.0
109.06518	8.1
109.10152	33.5
111.04442	5.7
111.08087	8.0
117.07025	19.1
119.08585	39.7
121.10138	27.7
123.08076	6.5
123.11691	11.9
125.09652	11.8
129.07008	10.5
131.08588	30.8
133.06554	3.0
133.10127	27.9
135.08031	4.2
135.11696	19.2
137.09634	4.2
137.13257	2.6
139.11115	2.3
141.06999	4.9
142.07860	2.7
143.08575	11.7
145.10129	27.6
147.07948	3.1
147.11688	24.8
149.09616	7.1
149.13251	11.3
149.38985	2.2
151.11221	5.0
153.12732	4.2
155.08542	7.0
157.10144	11.3
159.08099	2.7
159.11696	17.5
161.13246	8.4
163.11206	6.5
169.10124	3.6
171.11696	10.1
173.11899	2.6
173.13258	12.2
175.11194	7.2
175.14847	5.6
177.12831	3.9
181.12259	3.5
183.11719	5.1
185.13248	8.0
187.14835	6.5
189.11160	6.6
193.12236	16.1
195.13986	2.4
197.13319	4.3
199.14738	3.5
211.13274	24.7
211.14993	2.8
227.12788	8.9
229.14365	6.2
243.21123	2.9
261.22147	18.8
267.16046	3.6
267.21265	2.5
279.23209	3.5
283.15781	3.3
285.17084	13.0
285.22171	5.4
299.23328	3.0
301.25427	6.4
303.23059	6.1
317.24625	5.2
335.25836	25.6
417.31583	2.4
433.29471	2.7
435.32785	12.6
453.33389	11.6
471.34714	9.6
473.32468	6.2
487.34082	3.8
489.35501	4.6
527.37286	37.1
545.38403	100.0
545.46832	4.9
550.89734	2.5
563.39807	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
54.01759	1.9
55.01866	7.3
55.05270	2.8
55.05515	39.2
57.03442	10.1
57.07074	4.6
59.04998	3.9
61.30140	1.8
62.76841	1.8
65.03948	4.0
67.05510	89.4
69.03423	3.0
69.07072	25.0
70.08957	7.3
71.04971	6.7
79.05497	53.3
81.02991	2.4
81.03429	25.3
81.07064	84.2
83.04984	15.0
83.08623	25.6
85.02907	9.8
85.06538	3.6
85.97829	2.2
91.05489	50.5
93.06482	3.6
93.07053	63.6
95.04975	18.4
95.08617	55.4
97.06551	11.9
97.10183	13.9
99.08069	3.6
103.05481	2.0
105.07037	41.6
107.04960	4.4
107.08604	38.3
109.06505	4.6
109.10162	33.2
111.04428	4.7
111.08074	11.4
113.05959	3.4
117.07016	14.5
119.08588	33.3
121.06531	4.1
121.10146	27.6
123.08064	5.8
123.11723	13.0
125.09633	13.2
129.07019	15.0
131.08574	28.1
133.06517	4.5
133.10147	29.2
135.08052	2.8
135.11693	24.0
137.09619	2.9
141.06987	2.7
142.07802	2.8
143.08586	9.2
145.10129	22.5
147.08028	3.5
147.11694	22.5
149.09616	6.1
149.13274	10.8
151.11163	4.0
153.12744	5.4
155.08568	6.3
157.10136	19.1
159.11668	16.1
161.09590	2.1
161.13301	9.6
163.11177	7.3
163.14819	5.1
165.12791	2.6
169.10143	4.4
171.11684	9.5
173.13264	14.4
175.11221	8.5
175.14818	5.4
177.12802	2.6
181.12279	4.3
183.11635	4.7
185.13268	6.1
186.61485	2.0
187.14790	5.8
189.11191	6.7
189.12749	3.0
191.10577	2.0
193.12233	23.3
195.11737	3.2
197.13274	6.1
199.14815	3.6
211.13293	32.2
211.14977	1.7
225.16418	2.8
227.12753	10.1
229.14371	6.1
243.21028	2.8
261.22205	17.7
267.15796	5.1
267.21277	2.2
269.17242	2.4
270.04175	2.1
273.18698	2.4
277.21716	3.6
279.22870	3.7
283.15518	3.4
285.16989	18.7
285.22043	3.7
299.23669	5.2
301.25229	4.6
303.23126	6.3
317.24631	6.4
335.25876	34.0
345.07684	2.1
347.25616	2.6
359.25873	2.7
391.28522	2.4
417.31528	3.7
425.33978	2.4
435.32639	9.5
453.33502	10.0
471.34900	9.5
473.32520	2.4
487.34308	5.4
489.35751	3.1
509.36270	5.2
527.37250	36.9
545.38391	100.0
546.38672	2.3
563.39514	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05513	10.5
57.03441	12.4
59.04996	1.0
65.03964	1.1
66.99299	1.0
67.05511	15.9
69.03426	3.2
69.07063	5.5
71.04979	2.6
71.06133	1.7
71.06474	1.1
72.73070	0.9
79.05496	18.5
81.03423	79.4
81.07060	15.6
83.04982	7.9
83.08620	19.8
85.02908	9.6
91.05487	21.0
93.07040	12.7
95.04972	24.5
95.08615	7.2
97.02907	3.5
97.06525	2.7
97.10179	4.6
103.05457	1.0
105.07048	16.2
107.04959	8.8
107.08625	7.2
109.06532	4.6
109.10179	3.3
111.04483	1.0
111.08090	8.2
113.06030	1.0
115.05482	1.5
117.07042	2.3
119.08589	16.2
121.06512	4.5
121.10160	7.5
123.08062	2.0
123.11732	1.2
125.06006	1.3
125.09641	2.6
129.07001	11.8
131.04922	1.3
131.08586	9.9
133.06476	3.1
133.10139	8.4
135.08089	1.9
137.09673	1.4
142.07780	2.2
145.06519	2.6
145.10130	2.6
147.08080	3.5
147.11711	10.6
149.09636	6.1
157.10124	14.3
163.11171	1.6
165.12831	1.9
171.08047	1.6
171.11745	1.3
175.11203	11.6
193.12257	30.1
211.13322	19.0
227.12671	1.3
249.14915	2.9
255.13770	1.9
267.15927	100.0
268.16403	1.2
273.14908	2.8
285.16992	20.7
341.21158	1.1
348.52887	1.0
349.21671	3.2
367.22754	11.7
385.23672	9.4
403.24924	2.9
433.25864	10.1
441.26398	5.0
459.27444	49.8
477.28485	44.6
485.60394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
57.07092	1.2
61.53777	0.6
64.06487	0.7
64.40753	0.6
67.05506	1.4
69.20116	7.2
71.08635	1.6
81.07076	1.5
81.76154	0.7
91.05504	0.8
93.07072	0.6
95.08604	1.5
95.29295	0.6
98.51892	0.6
100.33206	0.6
101.19452	0.6
105.08093	0.7
123.11723	0.6
134.05223	0.6
251.12445	3.4
307.15222	4.4
563.39209	100.0
564.40192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.4
55.05507	12.9
56.96558	3.3
57.03438	5.2
57.04955	2.4
60.68339	2.1
60.80628	2.3
61.02919	3.7
67.05505	14.4
68.22438	2.4
69.03451	6.1
69.07074	21.5
79.05485	19.0
81.03413	13.4
81.07063	19.5
83.05002	5.4
83.08624	10.0
83.69813	2.5
83.92667	2.3
85.02895	3.7
88.08887	2.2
91.05472	15.5
93.07046	13.8
95.04972	8.8
95.08607	9.2
97.02897	8.1
97.06528	4.1
97.10193	12.7
105.03371	3.3
105.07057	11.6
107.04974	5.6
107.08570	11.4
109.10173	8.5
109.64209	2.4
117.07032	3.7
119.08602	12.6
121.06511	4.5
121.10126	4.7
123.08101	3.3
125.09641	10.2
129.06953	3.0
131.08575	8.4
133.10130	4.5
135.08035	3.5
135.11661	2.5
137.09621	2.9
145.10123	5.2
147.04420	4.6
147.07994	3.1
147.11652	4.4
149.09657	2.7
157.10179	4.1
163.11252	2.9
176.84856	2.5
189.11336	5.3
193.12367	5.7
195.11642	2.4
211.13301	5.4
223.13260	16.4
227.12779	4.2
267.09250	2.6
267.15912	10.9
269.10489	2.8
273.18524	9.9
285.10107	4.2
285.16953	10.0
291.19556	90.6
347.22266	3.8
365.23242	100.0
397.03027	2.9
444.45654	3.0
459.27246	4.4
477.28366	8.2
510.98080	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.7
55.01865	7.8
55.05511	35.9
57.03445	15.2
57.07067	2.8
59.05039	2.3
65.03951	4.8
67.05508	99.7
69.03418	5.7
69.07075	24.4
71.04988	8.9
71.24968	5.0
79.05073	3.4
79.05503	53.6
80.17677	2.2
81.03423	29.4
81.07063	100.0
83.05000	13.8
83.08195	3.6
83.08629	24.8
83.37666	2.4
85.02911	13.1
85.06540	5.5
91.05484	50.4
93.07049	60.1
95.04973	17.3
95.08065	4.4
95.08618	67.7
97.06519	5.6
97.10181	19.4
99.08095	6.8
99.73937	2.2
99.75426	2.4
103.05461	2.7
105.07037	45.6
107.04939	5.3
107.08591	38.9
109.06565	4.2
109.10163	37.1
111.04430	6.3
111.08087	11.4
111.47770	2.3
117.07016	16.3
119.08591	42.3
121.06446	2.7
121.10152	30.6
123.08058	5.3
123.11723	13.2
125.09637	11.8
128.06207	3.6
129.07043	14.2
131.08577	27.0
133.06445	2.7
133.10127	30.1
135.08089	5.8
135.11708	24.6
137.09566	4.1
137.13254	3.6
141.07036	3.1
143.08543	12.7
145.06482	3.7
145.10133	32.2
145.48502	2.6
147.07986	2.9
147.11690	26.7
149.09654	5.0
149.13280	14.2
151.11122	3.0
155.08589	7.4
157.10138	16.7
159.10513	2.7
159.11681	16.1
161.09647	2.7
161.13271	11.0
163.11238	5.4
163.14738	2.6
165.12766	3.9
169.10123	5.1
171.11736	7.0
173.09625	3.2
173.11877	4.7
173.13301	12.6
175.11166	8.6
175.14824	4.6
175.82896	2.3
181.10182	3.1
183.11700	7.5
183.13399	2.3
185.13260	6.8
187.14806	7.5
189.11234	6.7
189.16312	3.2
191.10571	2.7
193.12277	23.0
195.11734	3.9
197.13332	3.8
199.14836	4.1
201.16525	2.9
209.13394	2.8
211.13304	34.0
211.15053	4.5
213.16438	3.4
225.16426	3.1
227.12794	9.8
229.14278	5.1
261.22104	16.1
267.16013	4.9
269.17416	4.7
279.22943	3.8
283.15302	3.9
285.16992	19.1
285.22299	5.8
299.23676	4.1
301.25153	2.7
303.23273	7.9
315.23184	2.7
317.24744	5.6
335.25797	21.7
359.25983	2.6
417.31384	4.1
435.32791	12.0
453.33618	12.7
471.35025	13.4
473.32477	3.2
487.33997	3.0
489.35886	4.9
527.37299	36.9
545.38361	90.7
563.26294	10.2
563.39429	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01881	4.1
55.05509	14.9
57.03435	6.4
61.02938	4.4
62.01694	2.4
67.05508	21.5
69.03416	8.5
69.07068	16.9
71.04977	3.3
71.21162	4.9
79.05497	22.3
81.03425	15.0
81.07079	18.3
83.04963	4.0
83.08629	14.0
84.97158	2.6
85.02900	3.8
91.05480	18.1
93.07053	13.9
95.04963	6.4
95.08591	10.6
97.02877	9.1
97.10149	12.6
102.27763	2.8
105.07011	11.5
107.04971	6.8
107.08585	13.6
109.06485	3.2
109.10152	7.6
111.08117	2.8
117.07043	5.0
119.08576	11.1
121.06490	3.6
121.10164	7.1
125.09606	9.9
129.06943	5.6
131.08559	9.1
133.06474	3.5
133.10138	6.6
134.23361	3.3
135.08072	4.1
137.09602	4.0
145.10135	6.0
147.04395	9.6
147.08023	4.5
147.11707	4.5
149.09650	4.8
157.10161	3.2
161.09619	2.7
175.11212	3.7
189.11263	3.7
193.12253	7.9
203.18042	3.3
211.13402	5.7
223.13246	14.4
227.12952	3.3
240.92346	2.6
249.14925	3.1
267.15845	7.2
273.18454	9.6
285.10074	4.1
285.16940	11.9
291.19571	94.1
312.28979	2.7
347.22031	3.3
365.23236	100.0
397.22403	2.6
459.27429	8.6
477.28278	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	562.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.2
55.01874	7.3
55.05509	13.2
56.96552	2.5
57.03442	10.7
61.02918	3.8
65.03908	2.6
67.05180	4.0
67.05507	44.0
69.03417	5.4
69.07074	13.7
69.24457	21.7
71.04993	5.3
73.02946	2.8
79.05497	33.7
81.03421	33.4
81.07060	50.6
83.04980	10.1
83.08625	14.0
85.02924	7.4
85.06548	4.5
91.05489	46.2
93.07048	29.5
95.04974	16.5
95.08614	17.9
97.02875	3.9
97.06532	7.6
97.10168	3.4
105.03448	3.1
105.07035	43.6
107.04948	9.2
107.08598	34.2
109.02943	2.2
109.06516	8.4
109.10162	41.8
111.08083	5.7
113.05993	3.7
114.63166	2.3
117.07020	4.3
119.08607	15.2
119.43587	2.2
121.06510	5.6
121.10155	7.5
123.08060	4.5
123.11721	9.2
125.09648	4.4
127.79393	2.5
129.07002	5.6
131.08542	12.6
133.06506	6.8
133.10135	63.3
135.08052	7.2
135.11694	5.5
137.09630	4.6
143.08560	4.2
145.10147	6.9
147.04492	2.8
147.11674	8.4
148.00388	2.6
149.09648	9.5
151.11179	29.1
157.10167	7.3
159.08000	2.9
159.11772	4.3
161.09610	6.7
169.12245	3.0
171.11661	3.4
175.11227	6.4
193.12259	12.7
211.13362	9.4
215.12665	3.1
253.14359	99.1
257.65607	2.4
263.20114	3.1
267.15933	20.9
271.15457	14.1
273.18451	17.5
285.16916	11.7
291.19644	11.3
347.22189	5.7
365.23251	100.0
385.23700	2.6
459.27478	15.8
477.28369	30.5
527.28644	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	562.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02379	0.5
53.03950	2.2
53.49707	0.1
55.01865	0.3
61.02923	0.4
62.10329	0.2
63.65971	0.1
65.03944	0.2
67.05493	0.8
69.03430	9.6
70.87887	0.3
70.88215	0.2
77.03930	0.7
79.05493	0.7
81.03414	0.8
81.07060	0.2
85.02889	0.9
93.07046	0.3
95.04978	3.7
97.02900	1.8
99.04459	0.7
105.03394	100.0
106.03714	0.2
107.05003	0.4
109.02871	1.2
116.10731	0.3
123.04433	21.8
127.03918	7.9
128.90001	0.2
129.72438	0.2
135.04491	0.3
139.97502	0.2
145.04979	1.3
147.04396	0.6
150.67552	0.2
153.76105	0.2
168.05603	0.2
188.54465	0.2
221.12929	0.2
226.14586	0.2
231.06554	3.6
231.08841	0.2
233.97449	0.2
249.07565	4.3
249.10028	0.4
267.08640	22.7
292.10419	0.2
315.57339	0.2
388.19885	0.2
400.11172	0.2
475.79297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23473	0.3
53.03944	1.7
55.04155	0.4
55.05499	0.5
57.03430	0.6
60.32094	0.3
64.76344	0.3
65.03944	2.2
65.73032	0.3
67.05509	0.8
69.03435	3.5
69.07057	0.5
69.36494	0.3
70.04183	1.5
71.05000	0.6
77.03906	0.4
79.05494	1.8
81.03419	7.7
81.07050	0.9
83.04957	0.3
85.02909	3.9
86.06102	0.4
91.05495	1.8
93.06997	0.7
95.04968	4.3
95.08632	0.9
97.02888	4.5
97.06525	0.6
99.04442	0.7
103.03954	0.4
105.03391	5.7
105.07040	0.7
107.04957	36.3
107.08618	0.8
109.02879	4.8
109.10174	0.5
111.04460	1.2
119.04950	3.9
119.08604	1.0
121.02868	100.0
121.10132	0.8
122.06904	0.3
123.04437	0.6
123.08081	0.5
127.03913	2.9
129.06964	0.3
131.04950	0.6
131.08588	0.4
133.10168	0.6
134.08467	0.4
135.11644	0.5
139.03903	16.8
143.08562	0.4
145.04959	1.3
147.04413	24.8
148.04776	0.4
149.13358	0.4
153.06931	0.5
156.11215	0.3
159.08023	0.4
159.11604	0.3
161.06023	0.4
163.11163	0.4
165.05461	0.5
169.06412	0.3
177.05504	0.4
187.07593	1.3
197.05942	0.4
203.06999	0.4
212.03712	0.5
215.07037	4.4
220.11768	0.3
223.05957	1.0
227.07048	2.8
231.06708	0.4
247.06032	8.2
265.07083	10.3
267.08676	1.4
283.08124	26.8
294.31290	0.3
309.09662	1.2
353.10187	1.4
371.11267	1.2
389.12292	1.5
400.11087	1.0
440.10132	0.3
562.24573	0.6
562.32684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
55.01872	5.6
55.05515	33.8
55.82050	3.0
57.03429	11.8
65.03928	4.2
67.05505	77.8
69.03432	5.9
69.07073	26.3
70.73199	3.6
71.04970	5.6
71.54781	5.0
79.05081	4.2
79.05503	56.0
81.03426	33.7
81.07061	59.4
83.04990	12.0
83.08627	26.3
85.02901	8.8
85.06557	5.8
90.27052	3.0
91.05489	64.6
93.07046	53.4
95.04968	20.7
95.08614	38.4
97.02921	4.1
97.06535	9.2
97.10175	13.7
99.08131	7.2
103.05515	3.3
105.07034	51.5
107.04967	7.7
107.08581	38.9
109.06532	8.5
109.10162	27.9
111.08107	6.6
115.05460	3.6
117.07025	27.7
119.08591	44.9
121.06501	4.6
121.10146	22.1
123.08112	7.0
123.11675	5.2
125.09608	10.0
129.06966	18.4
131.08578	38.6
133.06430	3.2
133.10098	33.5
134.10399	3.0
135.11676	14.3
137.09677	3.9
141.06981	7.7
142.07780	5.4
143.08574	21.4
145.10123	33.0
147.08075	3.7
147.11699	26.3
149.09634	4.7
149.13257	9.4
150.52129	3.1
151.11192	3.6
153.73991	3.3
155.08542	9.9
156.09351	3.4
157.10129	22.2
159.11702	18.8
161.13252	12.6
163.11172	6.8
167.08591	6.2
169.10162	12.2
171.11656	17.0
173.11754	7.7
173.13306	13.3
175.11240	8.2
175.14867	8.2
177.12701	3.1
181.10112	8.7
183.11723	8.8
185.13199	10.3
187.14856	3.4
193.12292	20.6
197.13330	9.2
199.14917	7.7
209.13194	4.8
211.13171	19.9
219.05695	3.6
223.14835	4.6
227.12820	6.4
229.07642	5.3
229.14388	6.9
241.19527	11.9
257.19193	4.6
259.20636	21.3
264.87454	3.1
267.09113	3.3
267.15933	8.1
275.20242	3.8
285.10162	4.4
285.17041	15.9
297.22116	8.1
299.23819	3.7
315.23209	10.0
333.24283	16.6
389.26956	4.4
404.53275	3.3
415.29730	5.0
423.32477	6.2
430.18924	5.4
433.30984	11.3
451.32083	18.3
469.33209	13.0
483.94989	4.2
525.35803	24.9
543.36829	100.0
561.38074	41.1
573.96222	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01868	4.3
55.05515	19.6
57.03439	8.2
57.07074	2.8
59.06471	1.5
65.03920	2.1
65.64094	1.4
67.05504	59.7
69.07069	15.0
69.33513	9.4
69.33920	2.8
71.04977	5.1
73.02908	1.8
79.05491	50.1
81.03398	3.1
81.06588	3.4
81.07056	61.4
83.04972	4.3
83.08621	10.7
85.06524	2.1
91.05476	26.9
93.07049	59.3
95.04989	7.9
95.08610	66.9
97.02906	3.1
97.06532	5.5
97.10139	3.5
99.04460	5.1
103.05576	1.9
105.04503	1.9
105.06403	2.1
105.07036	21.9
107.04967	8.3
107.08597	41.5
109.06521	2.5
109.10144	18.4
111.04420	3.1
111.08054	2.3
113.05985	1.8
117.07006	13.6
119.08564	19.5
121.06488	5.8
121.10155	22.2
123.11685	6.2
125.06003	2.8
125.09634	1.9
127.07517	1.8
129.07039	2.2
130.07750	2.3
131.08569	10.0
133.10135	11.9
135.08052	3.3
135.11693	52.4
137.09601	2.2
137.13255	2.6
143.08595	3.6
145.10126	31.9
147.11716	8.7
149.13257	4.2
151.11147	1.5
153.12764	2.6
157.10089	1.6
159.11676	6.2
159.65547	1.4
161.13268	4.4
163.11177	55.6
163.14816	1.6
170.86647	1.4
173.09653	1.8
173.13274	4.8
175.14799	2.0
177.12679	1.5
181.12245	12.5
187.14671	2.3
209.11678	3.5
227.12782	100.0
243.21045	4.9
261.22147	21.3
283.15408	56.6
283.18527	3.3
317.24799	10.9
322.60928	1.7
328.15683	1.5
335.25809	79.3
451.32236	2.0
469.32996	3.5
543.36835	49.6
561.38202	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.9
55.01876	8.8
55.05514	32.9
57.03436	14.7
57.07072	3.3
65.03915	3.1
67.05508	87.4
69.03459	2.6
69.07069	27.8
71.04988	6.4
71.26733	3.7
73.02915	2.9
79.05494	75.4
81.03413	9.3
81.07059	92.3
83.04986	9.0
83.08603	19.6
91.05479	51.4
93.07046	96.0
95.04958	13.3
95.08614	85.9
97.02898	3.1
97.06540	10.7
97.10162	7.1
105.07028	34.2
107.04965	13.1
107.08595	55.2
109.06519	6.0
109.10152	28.7
111.04418	5.0
111.08045	4.6
117.07034	24.1
119.08591	36.3
121.06517	6.7
121.10139	41.4
123.08060	5.0
123.11699	9.2
125.09666	5.1
129.07019	7.5
130.37561	2.4
131.08572	19.3
133.10127	18.5
135.08084	3.9
135.11697	53.8
137.09578	2.7
143.08594	4.7
145.10121	39.3
147.08057	3.4
147.11685	8.9
149.09622	7.0
149.13248	10.9
151.11201	2.8
153.12779	3.1
155.08505	3.4
157.10121	5.3
159.11716	10.9
161.13258	8.6
163.11192	57.9
163.14862	2.9
171.11685	5.2
173.09653	3.0
173.13257	7.5
175.14780	4.7
181.12230	11.4
183.11760	3.4
185.13310	2.9
189.11176	2.8
191.10658	4.1
209.11690	6.7
219.17563	2.3
227.12796	97.4
236.40570	2.6
241.37303	2.7
243.21069	5.1
261.22144	29.5
275.20078	6.2
277.21835	3.9
283.15402	42.6
283.20251	3.4
301.21631	2.7
317.24762	7.9
335.25821	100.0
377.23422	2.8
451.32059	3.6
469.32715	5.9
487.34509	3.0
525.35565	4.1
543.36823	76.2
561.29822	3.1
561.37891	45.0
579.32495	2.7
586.43622	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2679
Annotation	Tyr His Ile Glu
Peak:m/z	Relative Intensity
53.03947	0.3
55.01865	0.3
56.96570	0.3
61.02945	0.3
67.05502	0.8
69.03417	0.8
69.07063	0.4
70.93370	0.3
71.04996	0.4
71.54257	0.3
79.05487	1.2
81.03429	0.7
81.07063	1.5
85.02895	0.8
91.05488	1.9
93.07047	1.2
95.04966	0.7
95.08595	0.7
97.02886	1.0
97.06541	0.5
98.97614	0.3
105.03391	3.6
105.07025	1.3
107.04964	1.7
107.08607	1.0
109.02892	0.6
109.06511	0.3
109.10152	0.6
119.04945	0.7
119.08589	0.5
121.02903	0.3
121.10148	0.8
123.04441	0.6
123.11725	0.2
125.09634	0.5
127.03938	0.6
129.05519	0.5
129.07040	0.5
131.04944	0.3
131.08571	0.4
133.06529	0.3
133.10130	0.8
135.04378	0.3
135.08028	0.3
135.11691	0.3
135.40652	0.2
137.06030	0.3
137.09621	0.3
145.02821	0.4
145.04947	0.4
145.10089	0.4
147.04407	3.2
147.11707	0.6
153.01753	0.4
159.11748	0.3
161.09607	0.3
161.13374	0.3
163.03941	1.6
166.43118	0.2
177.05489	0.4
179.03189	0.3
191.17465	0.3
214.18098	0.6
235.16919	0.4
261.18155	0.7
267.08585	0.4
271.05972	0.6
288.11255	0.3
302.04224	1.1
303.05124	0.5
313.03604	0.5
323.07367	16.5
333.21173	0.4
345.20987	0.5
351.22159	0.3
363.22009	0.4
385.12225	0.3
399.10709	3.7
561.26636	100.0
562.26776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29507	1.6
53.03941	5.4
55.01868	3.9
55.05514	23.3
57.03436	9.5
57.07071	2.7
59.93991	2.1
65.03946	2.5
67.05508	63.5
69.07075	16.9
70.79283	4.9
71.05009	4.3
71.08633	2.3
73.02917	2.1
79.05498	51.4
81.03412	5.6
81.07059	68.9
82.65205	1.9
83.04982	4.9
83.08622	14.0
91.05489	30.3
93.07053	68.9
95.04977	8.0
95.08612	69.4
97.02894	6.9
97.06519	7.1
97.10146	4.0
99.04453	4.0
99.08139	2.2
103.05508	2.3
105.07030	23.8
107.04948	8.7
107.08603	46.7
109.06524	5.0
109.10158	15.3
111.08101	4.2
117.07009	12.1
119.08599	20.7
121.06483	4.8
121.10143	29.2
123.08060	2.5
123.11710	8.6
125.06025	3.0
130.07816	2.9
131.07736	1.9
131.08537	11.3
133.10141	9.5
135.08072	2.3
135.11703	49.4
137.13242	2.3
139.07532	2.3
145.10135	35.0
147.11668	7.0
149.13298	6.9
151.11160	1.8
155.08513	2.1
159.11679	8.9
161.13255	5.2
163.11189	48.3
163.14819	3.5
173.13264	5.1
175.11220	2.2
179.14307	3.4
181.12247	11.2
201.12665	1.7
227.12785	100.0
243.21060	6.9
261.22153	21.5
273.98907	2.0
277.21463	4.5
279.23315	2.3
283.15411	46.4
294.12189	2.1
317.24783	6.9
335.25803	97.3
374.63226	1.9
391.01688	2.3
469.33203	2.2
543.36853	67.5
561.38605	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	560.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
52.91851	0.4
53.03942	1.1
55.01891	0.4
55.05514	0.6
56.96564	0.3
65.03954	1.3
67.05514	0.5
69.03432	19.8
69.07077	0.8
71.05010	0.7
71.54777	0.8
77.03933	0.4
79.05497	3.6
81.03416	1.6
81.07059	1.1
85.02911	7.9
90.18316	0.4
91.05484	100.0
93.07071	0.7
95.04961	1.3
95.08612	0.5
97.02895	4.9
97.06505	0.5
98.97592	0.7
99.04447	2.1
105.03373	0.5
105.04539	0.4
105.07028	0.8
107.04958	49.5
107.08592	1.0
109.02866	4.9
109.10189	0.8
119.04957	1.7
119.08571	0.6
121.06551	0.4
123.11793	0.4
127.03924	19.9
131.04936	0.5
131.08586	0.4
133.10106	0.4
135.11717	0.8
137.05997	1.5
139.03899	1.3
145.04967	7.8
145.06136	0.4
147.04419	3.3
147.11658	0.4
158.99812	0.4
163.03854	0.5
172.09808	0.3
179.08643	0.5
187.81287	0.4
197.09587	3.0
215.07062	0.7
225.09091	3.0
245.08092	6.6
263.09131	3.9
281.10208	35.0
287.05188	0.5
293.12177	1.3
295.15753	0.4
302.07315	0.4
302.12775	0.9
319.15692	0.4
348.94995	0.3
369.12943	0.5
560.25409	1.5
561.26282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.4
61.02936	8.7
67.05509	58.2
69.07050	10.5
70.38774	14.9
70.39169	13.2
79.05490	21.8
81.07044	47.8
91.05483	23.6
93.07042	35.6
95.08643	37.9
98.20899	11.2
105.07028	14.2
107.08583	26.3
109.10142	31.0
111.04417	8.7
112.30679	6.7
119.08584	14.5
121.10117	26.0
121.57685	9.1
123.11661	15.4
125.38930	7.2
131.08542	18.6
132.44403	7.3
133.10086	7.4
135.11676	16.6
137.13287	9.7
147.11681	13.7
149.13210	14.2
161.13295	12.7
163.14709	9.8
173.13159	9.5
182.08228	6.9
200.77016	7.0
205.15961	8.7
243.21057	24.3
261.22119	100.0
317.69846	7.3
335.25763	29.4
349.46460	8.0
353.26862	33.7
497.47516	6.9
543.62543	8.2
548.93182	7.0
552.68951	7.3
560.36865	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	561.1947
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
53.03925	0.5
69.46339	2.8
79.05483	0.5
82.67850	0.4
91.05471	1.1
102.58609	0.4
103.05476	23.5
105.07053	4.1
107.04965	0.9
113.15232	0.4
115.05469	0.5
119.04965	1.0
121.02841	0.6
123.04403	0.5
131.04939	57.4
133.06496	4.5
137.06004	1.6
142.31654	0.4
143.06059	0.6
146.03328	0.5
147.04416	1.5
148.70753	0.4
161.06004	6.0
163.07545	6.4
185.05756	14.0
186.06546	0.6
203.05266	3.6
219.06288	2.6
364.11371	0.6
381.13126	6.0
383.14801	2.8
561.19482	100.0
562.19830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	17.3
65.03938	9.1
67.05513	57.5
68.05820	7.2
69.03394	8.3
69.07056	29.3
70.73844	11.4
70.74164	8.6
71.04996	9.0
79.05498	44.1
81.07065	68.8
82.50644	7.8
83.05002	8.1
83.08598	14.5
91.05480	28.2
93.07040	42.3
95.08611	37.2
97.10110	10.7
99.08134	6.7
105.07049	24.4
107.05008	6.6
107.08582	31.2
109.10170	30.8
111.04462	8.3
119.08601	21.8
121.06541	7.2
121.10136	15.7
123.11665	15.0
131.08537	22.2
133.10101	27.5
135.11655	17.8
145.10118	11.5
147.11652	15.9
149.13266	28.3
159.11705	14.6
161.13272	13.7
163.14865	11.2
173.13272	12.1
187.14722	8.7
243.21062	28.9
261.22131	100.0
279.23334	7.4
292.19980	9.5
304.19440	7.6
325.05698	6.8
334.26712	7.5
335.25818	19.8
353.26837	44.6
445.11652	7.1
560.29193	12.6
560.36755	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62248	0.4
53.03931	0.5
55.01859	0.7
57.03417	1.7
61.02905	1.2
67.05479	1.2
69.03439	3.4
70.06590	0.5
70.98187	1.0
71.01335	0.6
73.02906	1.2
78.08064	0.4
81.03403	1.4
85.02459	0.5
85.02911	6.4
87.04466	0.8
91.03926	0.5
97.02901	2.3
99.04427	0.8
100.21884	0.4
109.02892	1.0
125.30001	0.4
127.03902	1.4
133.04973	0.4
134.04617	4.8
135.05576	0.9
136.05844	0.4
145.04922	0.5
152.05687	1.0
165.02306	5.7
167.02623	0.9
167.03828	0.8
181.05418	1.3
182.04967	100.0
185.08359	0.5
190.03082	0.7
190.49152	0.4
192.00705	0.4
194.04982	4.3
200.09271	1.6
201.10103	0.5
205.05447	3.7
216.04735	2.0
219.06967	1.5
221.08714	0.4
224.05997	1.2
231.07008	11.9
233.07262	0.5
248.09665	26.1
266.10715	52.2
267.10715	0.5
298.06842	0.4
314.09351	0.9
366.45532	0.4
380.13901	1.0
395.23587	0.5
398.14905	9.1
428.16016	44.5
560.20239	39.4
589.45856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48293	0.7
53.03938	2.6
55.05497	0.9
60.48840	0.7
64.46446	0.8
67.05501	0.9
69.03085	0.8
69.03436	9.0
71.04973	0.8
71.57230	1.2
73.53926	0.8
79.05482	3.5
81.03399	1.6
81.07050	1.6
85.02906	1.7
91.05479	1.8
93.07032	2.1
95.04952	2.6
97.02902	1.7
103.05464	1.0
105.03399	100.0
106.03720	1.0
107.04963	33.4
107.08618	1.5
109.02853	0.7
123.04462	1.2
127.03915	7.4
131.04926	2.4
137.06050	1.0
145.02847	2.4
159.11708	0.9
165.67686	0.8
177.05505	3.4
231.06483	5.1
249.07666	4.8
267.08649	48.4
286.99783	0.8
321.43393	0.9
384.11707	2.6
426.48746	0.9
560.21246	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69776	5.6
52.51239	5.6
53.03937	11.0
55.05518	39.4
57.03429	15.4
57.07082	25.6
59.63309	4.8
63.09324	5.8
67.05506	92.2
69.07069	22.8
71.04990	8.6
79.05490	96.0
81.03422	9.8
81.07065	85.2
83.04986	46.1
83.08636	13.3
85.06555	8.2
89.06049	6.2
89.21928	5.9
91.05485	71.2
93.07051	91.6
95.04968	27.6
95.08605	72.9
97.02916	9.1
97.06535	9.6
100.22351	5.6
105.07033	48.9
107.08588	32.6
109.06484	10.4
109.10175	22.8
111.04415	25.5
111.07996	7.5
117.06992	20.1
119.08568	40.2
121.10159	22.2
123.08102	14.2
128.06197	5.2
129.06969	10.5
131.08540	14.6
133.10132	18.7
135.11716	15.1
143.08488	16.2
145.10126	18.7
147.11726	35.9
149.13286	8.3
157.10091	10.6
159.11711	14.3
161.09644	5.0
161.13295	14.9
171.11649	26.9
173.13312	7.6
189.12863	7.0
193.39082	6.2
195.10204	9.0
207.13875	25.6
261.22253	12.4
262.28271	6.1
281.17493	44.0
288.26672	6.2
313.27029	9.0
335.25809	68.3
483.00650	5.7
541.39026	100.0
541.85193	5.5
559.23108	13.0
559.36646	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01859	4.7
55.05510	27.2
57.03438	11.3
57.07076	4.6
65.03931	5.5
67.05506	94.0
69.03415	3.3
69.07065	21.0
71.04980	4.8
77.03951	2.0
79.05495	100.0
81.03415	7.2
81.07059	87.1
83.04989	20.4
83.08620	10.0
84.20531	2.0
85.06539	4.0
91.04905	2.2
91.05482	70.9
93.07044	97.6
95.04972	20.4
95.08612	58.9
97.06524	4.9
97.10180	5.7
98.21625	3.2
99.08135	2.2
103.05440	1.8
105.04513	4.9
105.07036	47.6
107.04942	6.7
107.08588	31.2
109.06500	5.7
109.10150	18.8
111.04446	3.7
111.08079	3.7
117.07029	16.5
119.08578	32.6
121.06522	2.8
121.10147	21.8
123.08060	6.8
123.11707	4.9
128.06229	3.3
129.06348	1.7
129.07031	18.1
131.08574	14.6
133.10133	19.1
135.11688	12.6
143.08569	10.6
145.10132	16.9
147.11696	37.6
149.13243	5.5
155.08566	3.1
157.10149	2.6
159.11702	8.7
161.09558	4.5
161.13268	13.5
163.11226	2.3
165.12732	2.0
171.11716	28.0
173.13284	4.0
177.12767	2.3
183.11707	2.0
187.14833	2.3
189.12724	9.1
197.13168	2.2
207.13805	29.0
229.80293	1.7
233.22929	1.9
243.21071	3.4
259.20633	2.4
261.22171	14.3
279.15942	4.8
281.17505	44.4
317.24658	3.8
335.25800	74.3
350.55191	2.2
449.34229	3.8
541.38916	93.0
559.40033	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03809	1.0
51.02391	1.5
53.03954	5.3
55.01881	12.2
55.05516	31.1
57.03447	9.1
57.07067	1.1
59.04998	2.3
60.31894	1.3
65.03946	4.3
67.05509	56.3
69.03440	5.1
69.06721	2.0
69.07076	23.2
69.07453	1.5
70.14227	3.4
70.14638	2.1
71.04998	5.1
77.03918	1.3
79.05502	54.3
81.03426	40.0
81.06583	2.7
81.07063	54.0
83.04994	10.4
83.08623	22.6
85.02911	13.6
85.06546	4.4
91.05489	56.5
93.07050	42.2
95.04978	23.2
95.08611	29.4
97.02874	1.9
97.06535	13.6
97.10174	13.1
99.08118	1.8
103.05514	2.6
105.04545	1.7
105.07038	53.3
107.04959	12.6
107.08605	37.2
107.09303	2.3
109.06532	7.9
109.10156	14.9
111.04479	2.0
111.08089	8.2
113.05974	2.2
113.09672	2.4
115.05499	2.6
116.06207	1.2
117.07025	16.9
119.06016	1.2
119.08594	35.6
121.06509	5.7
121.10158	13.5
123.08106	4.6
123.11726	3.9
125.09638	10.7
128.06264	4.3
129.07022	15.4
130.07787	1.6
131.08583	23.9
133.06538	4.4
133.10132	22.0
135.08081	3.5
135.11739	7.8
135.90962	1.2
135.92206	1.0
137.09647	4.6
141.07005	4.7
142.07796	4.2
143.08578	10.0
145.06570	3.0
145.10129	25.0
147.07048	1.0
147.08046	6.1
147.11703	23.2
149.09648	15.1
149.10782	1.8
149.13295	2.7
151.11179	2.5
153.09189	1.6
155.08606	3.8
156.09334	1.4
157.10147	13.1
159.08118	3.1
159.11702	10.0
161.09648	2.3
161.13327	4.3
163.11238	7.8
165.09030	1.1
165.12819	3.1
169.10094	5.6
171.10333	1.7
171.11726	7.2
173.09692	1.7
173.11876	2.2
173.13306	4.6
175.11215	10.7
175.14839	1.5
177.12836	2.0
179.14351	5.6
181.10170	1.3
181.12408	1.5
183.11639	5.6
185.09702	1.3
185.13290	4.8
187.11240	3.3
187.14880	2.1
189.11221	7.7
193.12256	24.8
195.11748	1.9
197.13356	3.6
199.14915	1.4
201.12805	2.2
203.14439	1.2
205.12206	1.8
207.11862	1.5
211.13274	26.0
217.30138	1.2
219.13722	1.4
221.13326	1.9
227.12794	10.0
229.19583	3.0
233.15485	1.2
239.17979	2.8
257.19058	10.9
267.15988	18.6
271.05884	1.1
271.20566	1.6
273.18604	1.4
275.20102	41.7
281.19205	1.2
285.17126	3.5
291.19592	1.2
293.21341	3.6
297.22083	2.6
299.19974	5.9
313.21799	2.7
315.23267	5.0
331.22842	4.6
349.23911	9.0
368.40433	1.3
373.23752	1.9
410.59747	1.4
421.31464	1.2
431.29477	4.3
447.27356	2.9
449.30353	5.7
459.27353	1.2
467.32053	7.0
485.32779	5.5
503.33322	1.4
523.34271	6.3
541.35309	44.3
559.36377	100.0
561.35333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.05238	2.3
55.05511	47.3
57.03445	3.3
57.07079	10.4
57.33894	2.1
67.05507	76.3
69.07069	59.0
70.94054	6.2
71.04992	4.3
71.08611	3.0
79.05495	36.1
81.07059	100.0
83.04986	7.3
83.08620	39.8
85.06553	8.1
91.05486	30.2
93.07046	42.7
95.04961	3.7
95.08609	87.9
97.06547	12.0
97.10176	35.4
99.08072	8.7
100.95840	2.1
105.07030	22.1
107.08595	33.2
109.06521	4.5
109.10149	42.6
109.43040	2.2
111.08084	7.5
111.11694	16.3
117.07054	2.5
119.08591	28.1
121.10143	49.5
123.08096	2.4
123.11707	18.1
125.09632	4.1
125.13252	4.0
130.68372	2.0
131.08580	7.0
133.10141	27.0
135.11693	50.1
135.94724	2.3
137.09735	3.2
137.13255	10.4
139.11192	6.2
139.95265	2.1
145.10126	5.7
147.11693	20.6
149.09642	2.3
149.13252	8.1
151.11226	6.3
151.14842	6.5
153.12679	3.2
161.13266	14.9
165.12752	6.0
175.14844	8.8
179.14305	3.5
181.02557	2.4
187.14691	2.9
193.19568	4.1
217.19531	40.9
235.20578	74.3
248.35620	2.2
251.19905	2.4
253.21623	42.8
253.24098	2.9
271.22699	10.1
273.04514	2.3
315.99747	2.2
317.71030	2.5
340.02591	2.4
362.34113	2.3
418.18808	3.1
469.40494	24.8
487.41510	81.5
505.42493	52.4
523.43530	8.0
559.39648	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	559.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01868	3.0
55.05516	14.9
56.96560	1.0
57.03427	1.5
57.07070	3.0
59.04990	1.1
67.05509	17.1
69.03431	2.9
69.07073	21.4
69.60444	3.5
69.60874	3.9
71.04993	2.7
79.05504	7.9
81.03404	5.2
81.06587	1.7
81.07065	25.1
83.05016	2.0
83.08624	13.2
85.02914	5.8
85.06551	2.5
85.10141	1.1
86.06069	2.4
89.03918	4.8
90.17656	1.1
91.05494	8.8
93.07056	13.4
95.04954	2.4
95.08616	20.9
97.02895	3.7
97.06524	3.3
97.10175	9.2
98.21470	2.4
98.97552	1.2
99.04490	1.5
99.08080	1.7
101.90753	1.2
103.05472	2.3
105.03411	1.3
105.07031	8.4
107.08585	9.6
109.02874	2.9
109.06541	1.1
109.10160	12.1
111.00851	1.3
111.04495	1.4
111.08084	2.9
111.11732	4.5
113.09644	1.2
116.10737	1.7
117.03386	10.9
117.07003	1.1
117.97452	1.2
119.04956	1.6
119.08598	7.0
121.02921	1.4
121.06561	1.5
121.10175	9.6
123.04422	4.0
123.08079	1.7
123.11720	7.3
123.73454	1.3
125.09666	2.5
125.13234	1.0
127.03927	100.0
127.11203	1.6
128.98541	1.0
131.04918	2.7
131.08591	2.2
133.10146	6.8
135.04442	1.4
135.11699	11.7
136.71968	1.2
137.05997	6.1
137.09634	1.8
137.13258	2.5
139.03908	11.2
139.11189	2.1
141.02113	1.0
144.48352	1.2
145.02858	29.0
145.10117	2.1
147.04422	4.4
147.08113	1.3
147.11688	5.9
149.02386	2.1
149.05966	6.3
149.13284	2.8
151.03880	9.1
151.11165	1.4
151.14850	1.3
153.01836	51.7
153.05403	2.0
153.12743	3.2
159.11644	2.0
161.06068	2.5
161.13281	3.8
163.03929	4.8
163.11179	1.5
163.14745	1.3
165.05508	2.6
165.12787	2.7
169.05103	1.2
175.07625	1.4
175.14832	1.9
177.01872	4.3
177.05479	65.2
181.04974	2.7
187.07571	1.4
189.05467	8.8
189.09087	1.3
191.03453	1.5
193.05013	7.6
195.02963	1.8
195.06497	1.2
197.09665	1.7
205.04973	3.2
217.04996	4.2
217.19524	9.1
219.02928	1.8
225.08897	1.2
229.12360	1.8
235.06018	5.7
235.20618	12.4
241.16116	1.1
253.07063	3.7
253.21623	10.2
255.14052	1.2
257.04514	1.4
271.08267	1.3
287.05493	1.5
293.15427	1.2
298.20200	1.9
361.23816	3.6
369.24268	4.4
379.24918	27.1
383.11221	4.0
397.24329	3.4
403.24884	3.2
414.56387	1.3
445.25607	1.4
457.25775	2.3
469.25870	1.8
476.94531	1.5
509.16592	1.2
541.35071	1.6
559.29108	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	558.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.0
55.05501	9.3
57.03431	9.5
57.07075	24.5
66.57533	2.1
67.05511	16.0
69.03429	2.8
69.07058	9.4
69.19894	10.8
69.20316	12.4
71.04968	3.4
71.08631	14.0
79.05489	9.4
81.03422	38.3
81.07079	17.8
83.04977	7.1
83.08625	15.8
85.02922	13.0
85.10171	8.0
89.06028	3.7
90.72770	2.2
91.05506	16.2
93.07067	11.5
95.04976	15.0
95.08609	16.1
97.02892	3.5
97.10133	6.2
98.21521	5.1
103.31414	2.1
105.07024	8.9
107.04936	2.8
107.08590	5.7
109.06525	4.7
109.10172	6.9
111.08067	4.7
111.11682	2.1
113.05951	2.8
119.08565	10.2
121.10149	6.8
123.11723	2.6
129.07054	5.4
131.08559	5.6
131.67880	2.5
133.10078	6.6
147.11688	7.0
149.09624	3.4
157.10100	4.7
175.11197	6.0
193.12273	31.7
211.13315	50.4
239.23636	2.7
267.15967	5.3
285.16974	35.8
313.27377	66.6
334.14017	2.1
505.38754	9.8
523.39954	100.0
558.53577	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	559.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01873	0.8
55.05512	1.9
56.96569	0.7
67.05512	3.0
67.14294	0.6
68.74389	0.6
69.03432	4.2
69.07074	2.3
71.04998	50.7
71.54957	0.8
79.05487	3.0
81.03415	1.8
81.07064	7.3
83.04974	1.2
83.08648	0.6
85.02911	1.7
85.06548	1.0
87.62027	0.6
89.52760	0.7
91.05489	3.1
93.07046	4.4
95.04966	2.7
95.08618	3.4
97.02894	5.7
97.06519	1.8
97.10153	1.2
98.97601	1.1
99.04478	0.9
105.03437	0.7
105.07027	2.5
107.04960	7.5
107.08591	4.4
109.02899	1.8
109.06544	1.0
109.10169	2.6
111.04473	1.0
111.08127	1.0
113.06006	4.1
116.98650	0.6
117.80925	0.7
119.04961	0.9
119.08611	1.8
121.06509	0.8
121.10146	2.0
121.76540	0.6
123.04493	0.9
123.11729	2.6
125.09597	0.9
127.03904	2.9
131.07057	5.8
131.08557	1.0
133.10153	2.0
135.00583	1.0
135.04234	2.1
135.08055	0.8
135.11668	2.3
137.05937	3.5
145.02832	1.6
145.04932	0.7
145.10130	1.4
147.04410	2.8
147.11696	1.0
149.13226	1.9
151.11159	0.9
153.05238	5.3
157.12233	1.0
159.11703	1.0
161.13231	0.8
163.11185	1.1
169.04744	1.2
175.11206	0.8
177.05434	3.9
178.46490	0.6
179.03175	8.0
187.11386	0.6
187.13261	0.9
241.08376	2.4
257.04440	1.7
271.05951	1.5
286.04639	1.2
287.05652	1.4
297.09442	27.3
305.24808	1.4
327.15933	1.1
356.61411	0.6
365.10562	1.3
383.11307	6.9
397.21381	1.1
399.60843	0.7
403.13589	1.4
405.15222	1.2
430.20343	0.7
515.18652	5.6
536.26642	0.7
541.27063	0.7
559.17792	100.0
559.27417	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	559.2519
Annotation	Ananolignan J
Peak:m/z	Relative Intensity
53.03938	0.8
55.05505	0.4
66.66489	0.3
67.05495	0.6
69.03436	0.7
69.07055	0.3
69.23822	3.3
69.73878	0.3
79.05481	1.0
81.03430	0.8
81.07056	1.3
91.05480	1.2
93.07044	1.1
95.04950	0.8
95.08611	0.8
97.02914	0.3
97.06554	0.7
98.97598	0.7
105.03402	3.6
105.07037	1.3
107.04973	1.3
107.08603	0.8
109.02888	0.5
109.06516	0.6
109.10165	0.8
111.08123	0.3
117.07082	0.3
119.04939	0.6
119.08572	0.6
121.06509	0.5
121.10136	0.6
127.03949	0.8
131.04964	0.9
131.08549	0.5
133.10126	0.6
135.08044	0.4
135.11696	0.4
137.05884	0.4
139.03914	0.4
144.93619	0.3
147.04451	1.6
147.08012	0.4
149.09621	0.5
157.10263	0.3
161.09538	0.4
163.04103	0.3
163.11224	0.4
175.14787	0.3
177.05505	0.9
186.50699	0.4
257.04498	1.1
259.16696	1.9
261.18295	10.0
277.17841	0.6
286.04807	0.6
287.05505	1.0
289.11981	0.4
321.05807	8.6
323.07376	6.1
383.11298	7.8
494.95181	0.3
529.24249	0.6
559.25153	100.0
560.25537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	30.7
56.96570	39.8
67.05500	40.7
69.03409	17.5
69.07056	24.1
69.26826	100.0
69.27235	38.0
70.06586	35.3
75.84636	14.3
79.05508	41.6
81.03432	29.0
81.07051	57.1
83.08622	23.5
85.02914	23.6
88.07623	30.0
91.05474	49.3
93.07040	32.8
95.04987	14.3
95.08603	42.6
98.21529	33.5
98.97592	23.8
105.07016	54.6
107.08597	34.2
109.06558	19.6
109.10197	22.9
119.08529	17.0
127.08369	13.3
135.08147	16.9
137.09587	16.0
145.10094	24.3
147.04411	40.2
147.11717	23.1
149.02328	31.4
188.42949	15.3
193.04996	49.0
193.12251	31.4
200.20119	46.1
211.13286	34.4
248.48291	16.5
254.47997	16.3
267.09030	30.7
285.10135	40.9
285.17023	45.8
385.09225	47.4
393.78589	14.1
401.96060	18.7
558.26672	78.7
558.34552	46.3
559.34894	17.2
573.82495	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	558.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.8
57.07075	1.0
67.05512	0.6
69.07062	0.4
71.08575	0.3
72.08167	4.0
73.08486	0.5
74.06096	1.8
74.09723	100.0
77.29622	0.3
79.05505	0.5
81.07058	0.7
82.60715	0.3
83.04984	1.2
85.02925	0.4
89.06054	0.4
91.05494	1.2
93.07044	1.0
95.08585	0.6
97.02920	0.4
105.07030	0.8
111.04491	0.4
111.08029	0.4
121.47171	0.3
127.07568	0.3
133.10135	5.3
149.09698	0.8
171.10248	0.5
171.11629	0.5
189.11223	0.8
459.26727	0.4
540.37689	0.7
558.38708	1.3
570.03186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24295	1.5
53.03936	3.0
55.05296	1.7
55.05511	17.9
57.03443	19.5
57.07079	37.3
59.45176	1.6
59.94285	1.5
65.03909	2.3
67.05508	27.0
68.80122	1.8
69.03418	3.7
69.07072	12.8
71.04992	4.1
71.08637	27.9
79.05493	23.5
80.66311	1.9
81.03419	49.5
81.07055	33.7
83.04987	15.9
83.08624	25.8
85.02901	18.6
85.10199	11.0
88.07640	9.2
88.11279	3.1
89.03114	2.0
89.06037	6.2
91.05484	29.6
92.82506	1.6
93.07050	15.7
93.43314	1.8
95.04967	24.6
95.08611	27.9
97.02892	4.1
97.06538	3.3
97.10171	6.0
105.07034	21.4
107.04948	6.0
107.08585	7.2
109.06512	5.5
109.10150	9.3
111.04438	3.3
111.08085	6.4
119.08589	16.1
121.10130	6.9
123.11702	4.4
129.06972	7.5
131.08548	10.8
133.06447	2.3
133.10129	8.4
147.08003	2.9
147.11707	13.2
149.09647	4.4
157.10152	10.3
175.11217	12.2
193.12250	37.5
193.13922	3.6
211.13286	70.5
239.13895	1.7
239.23627	2.7
267.15930	20.5
285.16946	71.1
313.27374	100.0
464.48904	2.0
505.38919	12.7
523.39941	79.0
528.56226	1.9
558.38135	1.9
558.53815	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03952	3.3
55.01877	3.0
55.05515	23.4
56.10080	1.1
57.03443	4.9
57.07076	8.5
60.98896	1.1
65.03954	2.7
67.05507	37.9
69.03419	1.7
69.07071	14.4
71.05006	4.0
71.08638	2.6
79.05498	34.8
81.03438	3.0
81.07063	38.3
81.07533	2.3
82.23220	1.4
83.04986	11.0
83.08632	9.1
85.06586	3.6
91.05486	35.6
91.06013	2.5
91.18320	1.3
93.07046	32.2
95.04972	6.5
95.08613	27.7
97.06570	4.1
97.10146	6.4
98.21605	3.1
99.08135	2.2
105.07033	35.1
105.07671	2.3
107.05009	4.0
107.08595	17.9
107.09200	1.5
109.06557	3.0
109.10164	10.7
111.04481	3.8
111.08124	2.9
115.05523	2.5
117.07020	17.3
119.08578	25.0
121.06561	2.7
121.10146	10.6
123.08138	3.9
123.11784	3.0
125.09644	1.7
128.06294	3.3
129.07010	15.3
129.07787	1.5
130.07845	1.4
131.08577	28.5
133.10126	16.2
135.08102	2.1
135.11636	7.6
138.77634	1.4
141.07063	6.0
142.07864	2.9
143.08566	21.4
145.06476	2.9
145.10129	21.2
147.08096	2.3
147.11679	15.6
149.09668	3.0
149.13318	2.9
154.07800	2.9
155.08565	18.0
156.09384	1.7
157.10149	20.8
159.08148	1.7
159.11705	16.1
161.09631	2.5
161.13277	10.5
163.11267	3.4
166.07747	1.7
167.08568	7.1
169.10126	16.4
170.10870	1.3
171.08115	2.1
171.11673	22.5
173.09654	2.7
173.13281	10.6
175.11208	2.0
175.14926	3.6
177.12830	1.7
179.08601	2.1
181.10129	11.4
182.11057	1.6
183.11702	18.0
185.09637	1.5
185.13280	15.1
186.31081	1.4
187.11188	2.7
187.14928	5.4
189.12866	1.9
192.09459	1.5
193.10245	4.8
195.10214	2.7
195.11797	7.4
197.13263	12.2
199.14825	8.5
201.16493	2.0
205.10278	2.8
207.11794	3.3
207.13800	3.4
209.13242	9.0
211.14799	6.9
213.16466	7.1
215.14328	1.8
221.13408	4.5
223.14966	6.0
225.16496	3.0
233.13220	1.9
235.15063	2.5
237.16548	2.9
239.18117	2.4
241.19624	7.7
247.17076	1.8
249.16429	2.6
257.19052	1.5
259.20575	13.9
261.22232	1.6
279.16068	5.1
281.17429	9.3
281.22629	2.2
287.20157	1.5
297.22144	2.3
299.20343	1.7
299.23959	2.0
309.22482	1.6
311.23843	1.6
313.21854	1.7
315.23495	2.4
315.27658	1.6
321.22263	1.8
323.23807	2.6
333.24274	6.6
335.23529	1.6
349.25302	3.0
353.24832	1.8
365.24988	1.6
367.26657	2.3
419.33258	3.2
429.31808	3.7
437.34167	9.4
447.32584	17.8
465.33701	22.8
483.34735	16.2
501.35709	2.9
511.38275	2.5
521.36365	8.3
529.38788	8.8
539.37341	100.0
557.38611	55.3
572.88647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3479
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
53.03933	4.4
55.01870	5.1
55.05515	23.3
57.03428	3.6
57.07072	3.1
63.67076	2.8
67.05507	32.6
69.03436	6.6
69.07079	17.8
71.04989	2.8
79.05488	35.3
81.03417	30.7
81.07061	30.7
83.04974	8.8
83.08612	14.8
85.46906	2.5
91.05486	27.7
93.07034	28.8
95.04958	17.1
95.08609	14.9
97.02899	6.7
97.06554	5.8
97.10175	17.1
105.07039	25.5
107.04952	15.0
107.08578	19.4
109.06519	7.3
109.10159	12.8
111.08076	6.1
117.07038	11.5
119.08567	15.4
121.06507	6.9
121.10154	6.9
123.08068	5.0
125.09651	10.7
129.07008	5.8
131.08565	13.9
133.06508	3.0
133.10165	11.0
135.08081	7.0
135.11674	5.3
137.09604	4.4
143.08585	3.3
145.06506	4.3
145.10181	9.4
147.08073	5.2
147.11726	4.6
149.09586	3.6
157.06435	4.1
157.10170	10.0
159.11633	5.8
161.09589	5.2
163.11198	3.4
169.10178	2.6
171.11731	6.1
173.11690	3.0
173.13184	2.9
175.11165	6.6
183.08107	2.6
183.11809	3.6
185.09691	4.9
185.13196	2.9
187.11133	3.6
189.11269	7.9
193.12263	8.7
199.11093	2.8
201.12750	4.8
219.13869	7.7
223.13287	9.3
227.12831	10.5
273.18600	8.9
291.19568	29.5
297.18436	2.8
313.21579	7.2
445.26022	5.3
447.29251	4.2
459.27466	3.7
465.30011	6.2
483.31091	6.9
539.33673	27.4
557.34814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93135	1.6
56.16146	1.6
56.96563	7.4
57.03419	3.0
61.02917	3.7
62.12513	1.6
69.03435	9.5
69.35899	14.3
69.39046	1.5
77.76347	1.5
80.93367	2.0
81.03403	5.2
82.99857	3.2
84.96042	4.3
85.02905	17.8
86.03217	1.9
94.99819	2.0
97.02872	7.5
98.97576	28.9
101.00880	34.6
107.04974	2.1
109.02892	4.0
110.97584	7.5
112.99136	3.6
113.00878	5.3
115.02480	2.6
116.98618	9.6
117.03996	2.7
119.01921	56.5
123.04434	2.7
127.02427	12.6
127.03912	9.2
128.98592	5.4
129.03993	2.5
131.00154	4.5
131.01915	22.3
133.03493	3.3
134.99634	3.1
137.02954	5.4
139.02351	3.6
139.03915	2.2
141.03922	4.6
143.00183	4.1
143.01904	41.8
144.98219	1.9
145.01698	3.5
145.03450	54.4
145.04919	9.8
146.99699	4.4
147.01317	2.8
149.02957	3.8
153.03893	2.3
155.01903	27.4
157.01680	2.6
157.03502	13.7
158.99646	8.7
159.05052	19.4
161.01424	2.9
161.02966	45.1
163.04593	9.6
167.01878	13.3
167.07086	2.2
169.03471	48.2
170.99655	6.8
171.01379	5.2
171.05072	13.2
173.01387	3.6
173.02982	38.0
175.02847	3.1
175.04527	5.4
177.00714	6.1
179.01978	6.4
181.03439	9.6
182.99681	2.3
183.05031	5.0
184.04538	1.7
185.02969	55.6
187.02867	3.6
187.04523	73.6
188.63052	1.7
189.00725	4.2
189.02432	16.4
189.04141	2.5
189.06052	2.4
191.02284	2.5
191.03976	5.7
193.03703	3.4
195.01407	2.8
195.04977	2.3
197.01176	3.0
197.02925	24.6
197.06583	3.1
199.04517	16.9
200.04584	1.8
201.00735	10.6
201.06030	4.7
203.02303	2.0
203.04028	23.4
205.03723	2.4
207.01573	2.5
209.02930	4.2
211.04565	18.1
213.02449	18.0
213.06052	3.9
215.04059	10.2
217.05605	3.3
219.01785	15.2
221.05086	11.0
221.06877	2.8
223.04602	5.9
225.02473	5.0
225.06099	2.0
227.04019	13.1
229.05574	7.1
231.03540	24.7
233.01358	4.2
233.03426	3.1
233.06920	3.1
237.02824	13.8
239.04190	1.9
243.01532	3.0
243.03706	4.6
245.05089	100.0
247.04811	2.3
253.05539	2.6
255.03563	2.4
257.01407	5.7
257.05042	6.1
259.06705	3.9
261.02701	11.4
263.06049	11.6
265.05887	1.9
266.99860	2.0
267.03503	3.4
271.06635	16.9
272.06775	3.0
273.08118	3.1
275.02451	57.0
275.06049	19.7
279.03799	4.8
281.07062	4.4
287.02570	21.1
287.05637	3.1
289.07385	2.3
291.03793	1.9
291.09030	1.9
293.03488	13.8
293.06818	3.6
296.08411	2.0
297.04498	2.7
305.03479	22.3
305.07159	6.7
315.05515	6.7
319.08560	2.7
321.04971	2.1
323.06595	3.1
323.10184	8.1
333.06689	2.2
335.04663	27.2
335.08264	5.0
337.09308	6.7
341.03473	4.0
351.06177	3.2
355.09030	2.8
359.04453	21.7
365.09247	13.8
377.01117	3.1
377.05658	49.7
395.06744	80.4
408.87943	1.6
441.09012	2.4
453.13339	1.9
513.14789	5.3
521.10034	2.0
539.10522	9.8
557.11816	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01864	3.4
55.05518	35.7
57.03439	17.4
57.07074	21.2
59.73318	1.9
62.30513	2.0
63.18284	2.2
63.66567	2.4
67.05505	24.3
67.07926	2.2
69.03414	2.7
69.06734	3.4
69.07076	34.5
69.22853	23.6
70.06610	3.2
71.05000	3.4
71.08642	13.9
79.05501	24.2
79.23012	2.2
81.03426	42.1
81.07056	29.6
83.04990	13.2
83.08625	52.0
85.02914	22.0
85.10181	6.8
88.07583	2.4
89.06051	17.5
91.05482	24.6
93.07039	21.6
95.04971	17.8
95.08606	14.0
97.06535	6.1
97.10176	21.8
105.07055	16.2
107.04985	3.3
107.08616	8.6
109.06545	5.7
109.10128	3.7
111.08089	5.9
111.11742	5.3
113.06033	3.0
119.08598	16.2
121.10187	15.0
123.08080	3.1
129.07001	7.3
131.08557	10.7
133.06519	4.3
133.08612	8.2
133.10146	9.9
135.11722	3.3
144.62418	2.3
145.10233	3.8
147.11685	8.6
157.10213	12.5
165.12732	3.6
175.11195	11.3
177.11292	4.3
193.12236	25.9
211.13303	43.2
237.22408	2.8
251.95393	2.4
267.15866	19.4
283.26367	32.3
285.14044	4.1
285.16986	52.3
311.25873	77.9
311.29465	5.5
347.56247	2.4
371.22910	6.2
411.09012	2.4
503.37372	21.1
521.38397	100.0
539.40912	2.7
556.52960	35.6
584.54608	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	556.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48356	2.7
55.05498	9.5
57.03427	9.9
57.07079	28.2
61.70982	2.6
64.32034	2.4
67.05504	21.6
69.07062	12.5
70.06587	5.5
71.08630	22.6
71.47502	3.8
79.05486	19.3
81.07050	18.2
83.04932	3.3
83.08621	13.6
85.10165	8.8
85.74567	2.6
89.06030	20.0
91.05444	4.7
93.07042	28.8
95.04976	4.1
95.08606	42.2
97.06514	3.2
97.10180	4.5
99.04418	3.4
105.07039	4.0
107.04963	5.9
107.08578	22.0
109.10114	7.6
111.59071	2.6
112.49114	2.4
117.07006	6.0
119.08582	10.0
121.06506	3.9
121.10137	10.8
125.98238	2.4
126.86091	2.6
133.08606	11.1
135.11685	40.3
141.43674	2.5
145.10138	20.4
146.11670	3.5
163.11188	52.2
164.39366	3.0
177.11182	4.8
181.12210	7.3
197.23833	2.8
227.12787	66.4
236.78688	2.8
252.18552	3.0
256.26379	5.7
283.15366	74.1
283.26340	19.3
300.28955	7.9
313.27368	100.0
371.22717	8.6
372.74155	2.8
402.34952	2.8
521.38458	71.7
544.14752	2.7
556.52997	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01862	3.9
57.03422	3.3
61.02922	1.6
65.03935	3.1
66.87083	1.5
69.03424	4.8
69.24274	8.0
69.24699	6.7
71.04978	1.6
78.42049	1.8
79.05490	3.5
85.02913	18.9
91.03945	2.0
91.05489	41.3
94.04160	2.5
94.27003	1.5
95.04965	1.9
97.02872	6.0
99.04495	1.5
101.52325	1.6
101.87410	1.9
103.05475	40.3
105.03383	2.5
105.04475	1.7
105.07034	34.1
107.04948	3.6
109.06511	2.8
115.05462	7.5
119.04952	61.3
119.08663	2.0
121.06551	2.0
122.03638	3.4
123.08010	1.8
127.03925	4.1
129.06970	3.5
131.04936	83.4
133.02861	33.4
133.06508	31.3
137.05986	100.0
143.06084	4.0
145.05020	3.5
145.06355	1.5
146.07242	4.6
147.04419	27.8
147.07985	2.3
149.05971	4.0
150.06830	2.4
151.07556	32.2
157.06552	1.7
159.08052	4.4
161.05995	91.2
162.06773	5.2
163.07568	44.7
165.05504	14.5
172.05206	4.7
175.07579	21.3
177.05553	3.9
179.07056	66.3
187.07564	25.1
189.09070	3.6
191.08464	3.3
217.08627	10.7
218.84132	1.6
219.08064	8.5
231.08052	2.3
235.09552	4.1
247.07571	3.0
251.10753	12.0
263.10669	2.3
279.10202	11.4
291.10123	6.3
311.12805	49.3
313.14297	2.8
322.16281	1.7
323.12790	7.1
341.13885	7.2
526.17828	2.0
556.24164	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	554.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.7
55.05516	24.6
57.03431	9.4
57.07085	14.4
60.04527	3.1
62.31608	3.0
67.05517	11.9
69.07066	34.4
71.04980	2.9
71.08630	6.0
78.95645	2.7
79.05500	16.1
81.07059	18.1
83.04953	2.4
83.08624	31.1
85.10175	3.5
87.04424	2.8
89.06018	4.9
91.05493	6.8
93.07055	27.3
95.04971	5.5
95.08612	31.0
97.06555	3.8
97.10178	16.7
98.20708	4.3
105.07005	6.2
107.04973	5.9
107.08594	21.9
109.06430	2.8
109.10206	2.5
111.11749	3.2
117.07035	5.1
119.08582	7.1
121.06544	3.0
121.10137	11.6
133.10159	3.5
135.08107	3.3
135.11700	36.8
135.43762	2.4
145.10130	16.6
163.11197	36.8
181.12222	4.2
227.12782	49.1
283.15445	37.2
308.95432	2.7
311.25787	100.0
519.36865	98.4
536.50446	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	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
53.81607	1.8
55.01859	4.3
61.02923	2.4
69.03426	4.4
69.07092	1.8
72.94106	1.8
73.02927	2.1
77.03916	2.0
79.05494	3.0
81.03422	3.1
81.07078	2.3
85.02905	20.7
91.05492	35.0
93.07013	2.9
94.04202	2.9
95.04978	1.9
97.02908	5.9
98.97581	2.4
103.05485	46.2
105.03410	3.0
105.07047	28.7
107.04932	5.2
109.02877	3.4
109.06473	3.5
109.10184	2.0
115.05449	4.7
119.04950	56.0
119.08605	4.3
122.03635	4.2
123.08080	2.6
127.03915	6.3
129.07053	3.9
131.04933	92.2
133.02853	31.0
133.06497	24.3
135.08060	2.5
137.05984	100.0
145.04999	3.7
147.04416	25.6
147.08087	3.3
149.05986	6.0
151.07544	35.5
159.08051	4.7
160.05267	2.1
161.05991	82.1
162.06764	2.8
163.07550	57.8
165.05495	14.5
165.09082	2.4
172.05255	3.1
175.07523	23.2
177.05496	3.3
177.09067	2.6
178.89359	2.0
179.07042	58.9
187.07539	26.6
189.09052	4.9
191.08504	2.7
194.04120	1.8
199.07498	2.5
217.08615	9.3
219.08073	6.6
219.10228	2.0
233.94789	1.9
235.09593	10.9
247.07619	3.4
251.10762	10.5
259.07602	2.5
265.08289	2.1
279.10144	9.0
291.10049	5.0
311.12814	46.2
313.14185	3.8
323.12732	7.8
341.13721	11.2
444.73749	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	554.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.05507	8.2
57.03430	2.3
57.07075	13.2
59.56716	2.1
62.40541	1.9
63.69198	1.8
67.05504	28.7
67.74911	1.8
69.07079	21.1
69.59680	7.9
69.60088	5.0
71.08632	5.2
71.87209	2.4
79.05495	13.9
81.07057	50.0
83.04961	2.9
83.08611	13.7
89.06023	1.8
91.05479	10.3
93.07040	20.4
95.08608	75.2
97.06535	1.8
97.10183	10.4
98.20705	1.9
98.98474	15.7
105.07028	13.4
107.08594	32.8
109.06508	3.7
109.10158	82.3
111.11732	8.3
117.07035	3.9
119.08596	16.5
121.06488	4.7
121.10143	48.1
123.08038	4.4
123.11711	36.2
129.05463	2.7
129.07018	3.1
131.08566	11.9
133.10129	15.9
135.08076	5.0
135.11699	14.2
137.09694	2.3
137.13263	13.2
143.08551	6.3
145.06439	2.6
145.10132	16.7
147.08064	4.9
147.11678	12.7
149.09615	8.7
149.13255	12.6
151.07533	5.8
151.11198	3.2
151.14786	4.7
155.01042	19.9
155.07018	7.0
157.10144	5.8
159.07983	3.2
159.11696	16.7
161.09648	6.3
161.13278	13.3
163.11145	2.9
163.14833	15.6
165.09244	4.0
165.16412	10.8
167.07088	4.8
167.10725	2.5
169.08670	2.8
171.11732	6.3
173.13242	12.8
175.11230	4.8
175.14850	8.7
177.09175	5.2
177.16444	8.6
179.10626	3.4
179.14311	1.9
179.17914	9.6
181.08646	6.6
183.10173	6.3
183.11601	2.5
185.13255	9.3
187.14816	5.2
189.09128	3.6
189.12683	2.4
189.16451	6.1
191.14302	3.0
191.18022	10.5
193.08730	2.9
195.10150	27.6
199.14833	9.7
201.16487	3.9
203.14267	9.9
203.18082	3.2
205.19458	12.4
207.10165	2.7
207.13936	2.4
209.07991	2.8
209.11676	6.3
217.12289	2.5
217.15987	9.4
217.19574	3.2
219.13782	5.2
219.21068	5.4
221.11768	4.5
221.15334	4.2
223.13293	3.3
227.14441	2.8
229.19693	2.7
231.13966	4.1
231.21109	3.1
233.22728	4.5
235.13293	4.9
235.16794	4.1
237.14784	3.1
239.12732	2.7
243.08641	8.3
245.15419	12.0
245.22614	2.9
247.13283	2.2
247.24138	2.9
249.14876	21.5
251.16499	8.7
253.14432	5.1
259.11807	7.6
259.24268	3.0
261.14951	3.4
263.16431	87.2
271.11777	3.9
275.16382	5.9
277.14548	2.5
277.17905	2.5
281.17581	10.5
291.15921	6.5
299.14899	4.3
303.15829	2.6
309.16888	13.7
311.14774	3.6
313.16559	10.2
313.27280	13.8
317.20984	3.2
325.16544	5.8
327.18008	50.0
339.18060	7.9
341.19489	3.0
409.30841	2.2
415.32092	9.4
427.32089	74.4
445.33081	9.2
455.31226	7.9
465.46262	2.2
473.32697	22.2
491.33691	100.0
554.36841	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	554.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35299	0.6
52.62837	0.6
53.03939	3.3
54.81253	0.7
55.01860	1.2
55.05512	4.6
56.96558	1.7
57.07069	0.9
59.05011	0.9
62.23660	0.6
65.03938	2.0
67.05504	5.3
68.99815	0.9
69.03436	4.6
69.07078	3.6
70.93172	1.7
71.04995	8.4
79.05492	6.8
81.03434	5.8
81.06586	1.2
81.07062	19.1
83.04984	1.0
83.08601	2.5
85.02914	5.7
85.06527	2.6
89.16167	0.7
89.44959	0.7
91.05487	10.0
93.07047	9.1
95.04964	6.9
95.08620	7.1
96.34513	0.8
97.02885	4.7
97.06519	3.9
97.10180	3.0
98.97590	1.7
99.04404	1.4
99.08096	6.7
105.03394	24.6
105.07037	25.5
106.03721	6.8
107.04971	4.7
107.08596	10.3
107.97698	0.8
108.05284	0.9
109.02879	3.3
109.06496	1.9
109.10161	6.5
111.04449	1.5
111.08083	1.2
117.07037	1.8
119.04930	1.7
119.08572	10.1
121.02871	100.0
121.10162	6.4
121.98512	0.8
123.11728	2.4
125.09639	18.3
127.03918	4.3
127.07561	3.5
127.11203	2.8
131.04932	2.2
131.08594	3.9
133.10139	38.3
135.04434	0.8
135.11742	1.8
137.05972	1.4
137.09622	1.0
138.07483	0.7
138.47716	0.7
139.03903	17.0
139.04918	1.4
139.11232	1.8
143.10681	38.3
145.10127	6.7
147.04407	7.0
147.11694	14.7
149.09525	0.9
149.13243	4.1
151.11188	2.1
153.01886	1.0
159.11694	5.3
161.13257	3.5
163.11163	1.5
164.73849	0.7
167.06987	1.0
167.10611	0.9
167.14342	8.8
169.12218	1.3
173.13298	2.2
175.14838	1.2
177.05539	1.0
177.12808	0.9
179.03160	1.5
181.04857	1.1
191.14345	2.4
201.16425	7.0
219.17439	24.3
221.18889	0.8
223.56995	0.7
237.18477	5.0
247.06076	1.0
249.07567	0.9
259.09949	0.9
265.07028	7.8
267.08707	1.4
283.08130	34.8
287.05530	26.8
288.05850	29.7
295.15912	1.4
299.07678	1.1
337.16788	1.1
338.17444	1.1
391.57977	0.7
487.23642	0.8
554.16882	20.6
554.26691	3.6
555.22736	0.8
574.45526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35299	0.6
52.62837	0.6
53.03939	3.3
54.81253	0.7
55.01860	1.2
55.05512	4.6
56.96558	1.7
57.07069	0.9
59.05011	0.9
62.23660	0.6
65.03938	2.0
67.05504	5.3
68.99815	0.9
69.03436	4.6
69.07078	3.6
70.93172	1.7
71.04995	8.4
79.05492	6.8
81.03434	5.8
81.06586	1.2
81.07062	19.1
83.04984	1.0
83.08601	2.5
85.02914	5.7
85.06527	2.6
89.16167	0.7
89.44959	0.7
91.05487	10.0
93.07047	9.1
95.04964	6.9
95.08620	7.1
96.34513	0.8
97.02885	4.7
97.06519	3.9
97.10180	3.0
98.97590	1.7
99.04404	1.4
99.08096	6.7
105.03394	24.6
105.07037	25.5
106.03721	6.8
107.04971	4.7
107.08596	10.3
107.97698	0.8
108.05284	0.9
109.02879	3.3
109.06496	1.9
109.10161	6.5
111.04449	1.5
111.08083	1.2
117.07037	1.8
119.04930	1.7
119.08572	10.1
121.02871	100.0
121.10162	6.4
121.98512	0.8
123.11728	2.4
125.09639	18.3
127.03918	4.3
127.07561	3.5
127.11203	2.8
131.04932	2.2
131.08594	3.9
133.10139	38.3
135.04434	0.8
135.11742	1.8
137.05972	1.4
137.09622	1.0
138.07483	0.7
138.47716	0.7
139.03903	17.0
139.04918	1.4
139.11232	1.8
143.10681	38.3
145.10127	6.7
147.04407	7.0
147.11694	14.7
149.09525	0.9
149.13243	4.1
151.11188	2.1
153.01886	1.0
159.11694	5.3
161.13257	3.5
163.11163	1.5
164.73849	0.7
167.06987	1.0
167.10611	0.9
167.14342	8.8
169.12218	1.3
173.13298	2.2
175.14838	1.2
177.05539	1.0
177.12808	0.9
179.03160	1.5
181.04857	1.1
191.14345	2.4
201.16425	7.0
219.17439	24.3
221.18889	0.8
223.56995	0.7
237.18477	5.0
247.06076	1.0
249.07567	0.9
259.09949	0.9
265.07028	7.8
267.08707	1.4
283.08130	34.8
287.05530	26.8
288.05850	29.7
295.15912	1.4
299.07678	1.1
337.16788	1.1
338.17444	1.1
391.57977	0.7
487.23642	0.8
554.16882	20.6
554.26691	3.6
555.22736	0.8
574.45526	0.8
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
53.03940	1.1
54.97947	0.4
55.05527	0.6
56.96565	0.6
61.02926	0.6
67.05503	1.6
67.42345	0.5
69.03432	7.2
69.07069	1.3
71.04995	100.0
71.54332	0.8
77.03901	0.6
79.05082	0.6
79.05480	2.8
81.03419	2.0
81.07066	2.0
83.04980	0.9
85.02906	3.0
85.06571	0.9
86.09719	0.6
91.05468	2.4
93.07059	2.2
95.04980	2.5
95.08624	1.4
97.02888	6.0
97.10168	0.5
98.97561	0.9
99.04479	1.2
99.08097	1.9
103.05446	0.6
105.04508	0.6
105.07039	1.3
107.04963	21.1
107.08611	1.5
109.02902	1.8
109.06558	0.8
109.10165	0.8
111.04451	2.2
111.08104	1.1
113.06007	15.7
119.04956	2.9
119.08636	0.7
121.02895	1.6
121.06548	0.7
121.10175	1.5
123.04468	0.9
127.03923	8.0
127.07462	0.6
129.05502	3.5
131.04994	1.2
131.07047	49.7
133.10149	1.5
135.11682	0.8
137.05969	1.2
139.03879	0.8
145.04987	2.5
145.10162	0.5
147.04413	14.1
147.11717	1.2
149.36856	0.5
151.11150	1.1
161.09668	0.7
167.07117	0.7
177.05492	1.0
177.16425	0.9
211.13303	3.9
229.14542	1.1
239.09192	2.1
257.10272	3.9
259.09592	0.7
259.19681	0.5
273.09760	2.1
275.11270	43.9
276.11813	0.5
303.22971	0.6
309.09662	0.9
339.25342	0.7
554.26410	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	554.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01859	0.6
55.05499	1.9
57.03415	0.5
57.07054	0.8
63.43279	0.6
64.62166	0.5
65.03944	1.3
67.05495	2.3
69.03423	2.1
69.07063	1.6
71.04994	5.6
71.57159	0.5
71.57561	0.6
73.06547	0.8
79.05484	2.6
79.94566	0.5
81.03424	3.9
81.07059	7.3
83.04988	0.6
83.08622	1.2
85.02914	6.2
91.05479	3.4
93.07057	5.5
94.04183	1.0
95.04959	2.9
95.08612	6.1
97.02895	3.1
97.06543	1.0
97.10159	0.7
98.97626	0.8
99.04440	1.1
99.08087	1.3
103.05471	1.8
105.03367	1.6
105.07041	8.7
107.04952	1.5
107.08578	5.8
109.02885	1.9
109.06550	0.7
109.10161	2.9
110.32990	0.5
111.04443	1.2
117.07027	0.7
119.04932	1.0
119.08604	2.5
120.82693	0.5
121.02870	51.5
121.10142	3.4
122.03661	2.9
123.11699	2.1
125.09650	5.4
127.03938	1.5
127.11173	0.9
131.04933	3.1
131.08582	1.6
133.10129	12.9
135.11714	1.2
137.05980	100.0
139.03906	8.8
143.10670	9.6
145.10143	2.2
147.04395	4.8
147.11723	3.1
149.13255	5.2
151.07541	1.2
151.11237	0.7
157.10187	0.7
159.11674	2.6
161.13252	0.7
163.07555	4.3
167.14317	17.8
175.07480	0.6
181.08597	12.7
183.17000	0.5
201.16412	2.0
204.56215	0.5
211.16895	0.7
219.17445	11.5
223.09639	0.6
237.18539	1.7
247.09535	0.8
259.09772	0.6
265.07166	2.9
267.08884	0.7
283.08130	19.1
314.60602	0.6
344.70505	0.5
351.44272	0.6
392.75748	0.5
554.30646	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	551.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.05514	11.4
57.03431	5.2
57.06831	1.9
57.07082	27.3
65.48753	1.2
67.05515	21.9
69.07066	8.1
69.37368	9.4
71.04979	2.9
71.08640	19.7
73.72043	1.3
74.90878	1.3
79.05492	10.8
81.03425	32.4
81.07064	23.8
81.33418	1.1
83.04971	4.7
83.08623	14.9
85.02913	15.3
85.06562	1.9
85.10183	9.8
88.80711	1.5
91.05482	13.1
93.07052	7.1
93.61706	1.2
95.04966	10.9
95.08608	21.4
97.06506	1.6
97.10201	6.7
98.20824	2.9
103.05487	1.2
105.07030	9.4
107.04963	2.9
107.08578	2.8
109.06577	2.1
109.10174	8.4
111.08080	5.2
111.11747	2.2
115.05410	1.3
119.08602	7.9
121.10157	5.3
123.11684	3.4
129.07025	4.8
131.08551	6.0
132.78835	1.4
133.10144	4.3
135.97305	1.2
139.96368	1.5
142.07768	1.5
147.11707	6.0
149.09659	2.4
157.10120	5.6
175.09958	1.3
175.11162	6.5
193.12253	26.8
193.13899	2.3
211.13301	32.5
254.50717	1.4
267.15988	6.5
267.26971	3.0
341.30630	6.0
533.41791	2.1
551.43140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1683
Annotation	Cucumerin A
Peak:m/z	Relative Intensity
51.02382	0.5
53.03949	2.5
59.03779	0.2
66.76673	0.2
69.03432	8.8
71.41096	0.3
71.41438	0.3
77.03930	1.0
78.20647	0.2
79.05488	1.0
81.03397	0.5
85.02925	0.5
87.94569	0.2
95.04985	2.8
97.02905	1.5
99.04457	0.7
105.03396	73.7
106.03722	0.3
107.04957	7.2
109.02890	0.9
123.04439	1.0
127.03922	4.9
129.03096	0.4
163.03697	0.6
167.03204	0.6
181.04721	34.3
225.09070	0.3
267.08652	0.6
271.05954	0.3
283.06052	0.3
287.09003	0.7
289.06815	10.2
289.10080	0.5
364.69452	0.3
377.10455	0.3
395.11047	1.6
413.12115	3.1
491.16989	1.2
499.92667	0.2
553.16833	100.0
554.17181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01857	2.4
70.28597	0.8
71.40775	0.8
71.54784	0.9
77.85247	0.8
79.05499	6.8
81.03430	1.1
85.02892	1.9
89.03943	0.8
91.05489	5.0
93.07043	1.3
95.04964	2.3
95.08603	1.0
97.02909	0.9
98.97603	1.2
103.05469	18.1
105.07034	71.6
107.04967	3.9
115.05463	16.0
118.04164	8.7
119.04958	2.8
120.08121	1.1
130.04170	1.2
131.04932	14.0
132.05734	1.2
133.06494	59.8
135.08093	1.4
137.02347	1.1
137.05983	2.4
143.05013	1.7
143.06020	6.3
147.04445	4.4
148.05177	5.4
161.05986	100.0
163.07535	12.0
176.04584	0.8
178.06296	0.8
179.07045	1.4
191.07034	64.1
193.08620	42.6
200.15889	0.9
237.02884	0.9
252.66434	0.9
290.49170	0.8
303.04980	1.1
329.62677	0.8
403.72833	0.8
551.16992	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.1
67.05497	3.0
69.03411	1.3
69.07059	1.7
69.24597	10.3
74.87310	1.1
79.05508	2.1
81.03394	2.0
81.07078	3.1
85.02887	1.7
87.64586	1.3
91.05479	2.2
93.07031	3.6
95.04964	2.0
95.08629	2.6
97.06526	1.1
105.03371	3.5
105.07021	1.5
107.04961	5.9
107.08614	2.8
109.10182	2.4
119.08592	2.2
121.06522	1.3
121.10167	2.0
126.79346	1.2
131.04997	1.3
135.11728	1.8
137.06044	2.3
137.68100	1.3
139.46898	1.3
142.11018	1.4
147.04352	1.7
158.99811	1.3
193.08623	2.7
194.95900	1.3
195.58046	1.3
211.13120	1.6
223.43973	1.5
223.48424	1.3
229.07159	1.7
259.12054	1.2
267.09039	10.2
277.73297	1.9
285.10110	10.7
308.11783	1.9
317.08536	1.9
427.74487	1.4
491.22864	1.9
507.32837	7.3
551.26196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2831
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
53.03933	1.1
63.22564	0.7
66.36167	0.9
67.05501	1.4
69.03441	0.8
72.38346	0.8
79.05493	1.3
79.29366	0.6
81.07062	1.2
91.05476	1.3
93.07037	0.9
95.08587	0.7
97.02872	0.9
105.03420	1.5
105.06979	0.7
119.04923	0.7
137.05984	2.1
149.02367	2.4
179.03171	0.8
193.05031	2.4
367.17535	0.8
389.22974	4.2
479.26108	0.9
551.28290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.2
53.03948	4.1
55.05513	13.0
57.07078	7.2
58.84098	0.9
65.03929	2.8
67.05507	24.2
69.07070	18.2
71.39228	2.0
74.16293	1.0
79.05492	21.3
81.07061	34.7
83.08617	9.7
85.06541	3.2
89.13397	1.2
91.05482	38.4
93.07050	51.4
95.05005	6.1
95.08611	38.7
97.06522	1.6
103.05485	2.7
105.04529	1.3
105.07037	62.9
107.08601	57.4
107.09165	1.1
109.06543	2.0
109.10163	42.5
115.05448	4.8
116.06290	1.3
117.07013	15.3
119.08582	100.0
121.10149	48.1
123.08057	3.4
123.11711	11.1
125.09670	1.3
128.06227	7.0
129.07019	8.2
130.07805	5.9
131.08565	30.2
132.09361	1.7
133.10133	59.1
135.11690	38.3
137.09616	3.3
137.97058	1.1
139.11139	1.8
141.07005	3.0
142.07787	11.7
143.08554	23.4
144.09377	6.7
145.10129	66.1
147.11700	22.0
149.09634	3.4
149.13260	4.6
151.11099	1.1
151.14882	1.4
153.07071	1.6
154.07767	2.5
155.08566	9.9
156.09367	9.2
157.10144	35.6
158.10925	6.3
159.11699	34.3
160.12476	1.8
161.13246	13.3
163.11188	3.8
163.14874	1.7
165.06999	2.3
166.07739	2.0
167.08588	3.6
168.09349	2.0
169.10117	14.1
170.10878	5.4
171.11694	22.8
172.12424	3.6
173.13274	22.6
175.14833	39.3
179.08540	4.3
180.09399	3.4
181.10118	7.6
182.10962	6.1
183.11699	15.5
185.13278	14.0
187.14830	14.9
189.16449	2.9
191.14345	1.8
193.10138	5.7
193.15886	1.6
194.10918	4.9
195.11711	11.4
196.12483	4.9
197.13258	20.2
198.14082	1.5
199.14853	8.8
201.16380	17.6
203.18205	1.3
205.15918	1.6
206.10927	2.5
207.11768	6.2
208.12477	3.9
209.13266	15.8
210.14091	2.2
211.14822	12.3
213.16454	4.4
215.17940	2.1
217.15817	1.8
219.11668	2.1
219.17468	4.3
220.12408	1.8
221.13246	6.7
222.14102	1.8
223.14870	9.4
224.15459	1.9
225.16379	4.7
227.17957	3.0
233.13260	3.1
235.14824	4.5
237.16446	6.0
239.17961	4.5
241.19472	3.6
245.13327	2.7
246.14018	1.6
247.14879	3.0
249.16418	2.5
251.17989	3.7
253.19559	4.9
255.21176	1.6
257.19113	1.5
259.14676	1.4
259.20517	2.3
260.15488	1.2
261.16406	2.6
263.17932	3.2
265.19556	4.7
267.21078	5.9
271.20691	1.6
275.17892	3.2
277.19553	3.2
279.21088	2.7
283.20520	2.5
285.22144	3.9
289.19522	3.1
291.21103	1.6
297.22076	1.8
317.22653	1.4
319.24298	2.4
333.25693	1.6
337.25308	1.6
343.24234	1.7
345.25723	3.4
349.25433	2.0
363.26956	1.3
383.27142	1.6
385.29068	1.5
429.31662	3.6
459.36215	1.6
495.36407	2.7
533.41199	4.4
551.26599	1.4
551.42468	35.8
551.50952	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	551.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90963	1.3
53.03947	8.2
55.05501	3.0
56.96557	1.8
57.03434	3.4
57.07076	100.0
61.02922	1.8
65.03920	1.7
67.01859	4.8
67.05497	4.5
68.04984	1.5
68.99782	2.6
69.03432	27.0
69.07066	2.3
71.04978	4.5
71.56486	1.7
71.56886	2.2
79.05488	3.6
81.03420	44.2
81.07048	6.5
85.02904	26.0
85.06545	19.9
89.89765	1.7
91.05484	5.5
92.05807	1.5
93.07034	6.0
95.04951	4.6
95.08614	2.9
97.02886	32.8
98.97611	3.3
99.04447	6.1
100.11230	1.8
103.05479	2.6
103.07582	6.6
105.03433	1.6
105.07025	4.8
107.04948	4.7
107.08636	4.0
109.02880	23.8
109.10170	3.1
111.04453	4.4
115.05407	1.6
117.06904	1.7
119.04941	3.6
119.08589	4.3
121.02858	4.2
121.10160	4.2
123.04433	39.3
127.03915	38.8
131.04919	2.5
131.08545	2.8
133.02808	2.0
133.10158	3.8
135.04453	3.5
135.08052	1.9
137.02347	3.3
137.05998	7.0
139.03891	5.0
145.02927	2.5
145.04976	13.9
145.10133	2.0
147.04411	15.0
147.11710	2.1
149.02335	31.9
149.09583	2.2
151.03857	7.7
151.07571	2.0
153.01834	80.9
161.02327	3.0
163.03894	7.8
163.11133	2.0
165.01848	3.2
167.03418	7.4
167.07059	4.5
171.02855	8.6
173.02409	2.3
175.03940	2.0
176.67184	1.6
177.01868	3.3
177.05476	2.7
177.12799	1.8
179.03369	3.1
182.05942	1.7
183.02881	3.3
185.05972	2.7
187.09631	2.9
191.03474	4.1
195.02866	15.4
203.03445	2.9
213.05530	4.5
219.02898	3.1
229.10713	56.6
231.06511	29.7
241.05008	4.9
243.02904	1.6
245.04491	2.3
247.11803	12.9
255.06491	3.5
259.06012	30.1
261.04050	4.4
283.05920	2.2
287.05450	22.7
289.06082	2.5
301.07074	7.8
303.04901	27.4
305.06564	69.3
311.05569	2.4
329.06564	5.6
347.07748	7.1
367.08279	2.5
391.26431	1.6
395.07547	5.2
413.08685	4.6
461.14725	1.5
551.09845	5.4
551.26349	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	551.1522
Annotation	Antibiotic DC 114C
Peak:m/z	Relative Intensity
50.89635	0.6
51.02364	1.1
53.03945	3.2
53.63218	0.5
58.14451	0.5
58.92489	0.4
60.33876	0.5
66.92645	0.4
69.03433	10.4
71.06052	0.7
71.06393	0.6
77.03926	1.0
79.05485	1.1
81.03424	0.7
85.02945	0.6
90.51060	0.4
92.60484	0.5
95.04975	3.4
97.02880	1.8
99.04466	0.6
105.03400	90.8
107.04961	9.1
109.02873	0.7
123.04462	0.8
127.03922	5.8
133.02640	1.0
135.04173	4.2
161.02132	0.7
167.03239	0.6
169.04771	0.7
179.03168	28.1
179.77361	0.5
210.33835	0.5
241.08340	4.7
265.27579	0.5
267.08624	0.9
285.07413	0.7
289.06830	17.7
330.84003	0.6
349.45135	0.5
395.11194	2.8
397.12564	1.0
420.07697	0.6
454.02039	0.5
480.63205	0.6
507.16260	5.7
527.24756	0.6
551.15277	100.0
552.15472	1.4
576.50323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80665	0.9
57.07078	1.0
64.97272	1.0
67.05507	1.7
69.25181	8.0
81.07056	2.6
91.05511	1.1
93.07059	1.4
95.08604	2.5
105.07043	1.3
107.08606	2.7
109.10170	2.1
119.08572	1.4
121.10176	2.3
123.11761	1.4
133.10150	1.9
135.11636	1.1
147.11856	1.3
161.13277	1.3
163.14873	2.2
163.39053	1.0
173.13173	1.0
175.14766	1.4
187.14845	1.0
199.43474	1.2
251.86530	1.0
257.22650	1.9
259.24261	1.0
273.15430	0.9
280.85538	0.9
284.68427	0.9
303.23154	4.9
397.30515	1.1
443.35010	1.0
487.34241	3.2
550.41052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86857	1.4
53.03938	3.5
55.01859	5.0
55.05512	13.7
57.03442	18.5
57.07074	3.5
64.88165	1.7
65.03937	3.2
67.05507	70.2
69.07074	21.5
69.24695	18.1
71.01360	2.1
71.04990	5.1
79.05495	55.7
81.03413	3.6
81.06589	2.8
81.07057	54.6
83.04989	13.0
83.08645	8.4
85.06527	2.1
91.05476	32.4
93.07043	63.0
95.04963	5.7
95.08611	40.4
97.06548	10.4
97.10165	9.1
99.08086	2.9
105.04436	1.9
105.07032	15.3
107.08598	39.3
109.06541	2.3
109.10165	16.2
111.08060	4.4
117.07008	8.1
119.08582	13.9
121.10149	20.6
123.11690	4.8
125.09612	3.8
126.82262	1.9
131.08549	5.3
133.10130	9.4
135.11699	52.9
145.10162	13.5
147.11708	4.5
149.13278	5.9
153.12701	7.1
159.11694	2.7
161.13217	3.0
163.11182	6.3
163.14784	1.9
163.81989	1.9
175.14919	2.0
179.82962	1.8
181.12244	12.0
187.14874	2.1
199.13356	3.0
243.21159	2.6
255.15919	73.7
261.22101	16.0
317.24817	2.6
335.25784	79.9
515.37384	100.0
532.40045	3.5
550.40576	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	549.3062
Annotation	20-Hydroxyganoderic acid G
Peak:m/z	Relative Intensity
55.05512	19.1
57.07080	12.8
67.05502	16.2
69.07072	22.1
70.65895	10.5
71.08633	7.8
79.05485	15.9
81.07069	39.2
83.04955	7.8
83.08626	15.5
85.06550	12.8
89.80779	5.7
91.05508	9.0
93.07036	32.0
95.04945	8.7
95.08600	26.5
97.10216	9.0
101.06003	6.7
105.03362	6.7
105.07044	23.2
107.08614	33.0
109.06554	7.5
109.10173	18.2
112.15273	5.6
113.09654	16.1
117.06992	8.6
119.08591	30.9
121.10139	31.9
123.08046	5.9
123.11687	8.1
129.05502	11.2
129.07051	7.3
131.08589	18.5
133.10126	22.3
133.90263	6.1
135.11676	6.6
139.11217	6.6
143.08545	11.0
145.10155	22.7
147.11684	17.9
149.09596	8.5
157.10146	11.6
158.10979	5.8
159.11722	26.2
163.11208	17.7
169.10226	9.0
171.11705	15.9
173.13287	26.6
177.12863	7.8
183.11748	13.5
185.13315	20.6
187.14810	8.6
195.11716	8.8
197.13315	15.7
199.14861	12.1
209.15343	11.7
211.14790	13.3
213.16440	9.1
223.14745	8.2
227.18007	8.0
237.16380	11.7
239.17953	7.1
251.17987	7.3
269.19232	8.7
293.22806	6.7
311.23724	18.1
312.73581	5.9
346.13687	5.8
351.26907	10.8
377.28345	41.7
393.28073	8.0
395.25101	35.8
395.30231	36.4
399.25360	10.3
405.28104	8.1
411.28915	5.7
421.27350	20.5
423.28937	27.0
439.28506	69.1
441.29892	35.0
467.28046	36.0
485.28952	100.0
549.30609	39.9
549.48761	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01858	4.1
55.05515	18.5
57.03432	9.0
57.07060	2.0
61.02918	5.2
67.05507	43.7
69.03417	3.9
69.07065	21.9
69.32914	6.9
69.33335	5.4
71.04983	4.6
73.02915	2.3
79.05495	33.2
81.03410	4.1
81.07061	40.5
83.04980	4.5
83.08621	15.7
84.58656	1.5
85.02884	5.7
85.06536	3.4
90.42575	1.6
91.03958	2.1
91.05485	27.6
93.06481	2.8
93.07045	37.6
95.04964	6.1
95.08614	33.0
97.02872	4.5
97.06532	9.1
97.10146	4.1
99.08086	3.0
105.03386	9.2
105.07040	29.1
107.04958	2.2
107.08600	28.6
109.06489	4.3
109.10162	20.9
111.08044	4.5
117.07005	10.3
119.08583	27.4
121.10153	20.8
123.08070	2.3
123.11700	5.0
125.09609	4.9
129.06993	5.0
131.08563	11.9
133.10135	19.5
135.08049	2.0
135.11676	15.0
137.09621	2.1
143.08543	4.6
145.10112	12.3
147.11700	26.8
149.09592	4.2
149.13283	10.5
157.10104	4.2
159.11710	10.2
161.09660	1.8
161.13239	12.8
163.11084	2.8
163.14830	2.9
165.12747	5.0
171.11731	7.8
173.11694	2.0
173.13240	4.2
175.14845	4.5
177.12683	2.4
179.14284	3.9
185.13268	5.3
189.12733	2.7
197.01201	1.9
199.14859	3.9
201.16391	2.9
213.16182	1.9
227.63725	1.8
229.14348	19.0
241.19521	9.7
253.97322	1.6
259.20596	25.9
261.22272	2.5
277.21619	30.0
333.24249	3.7
349.20410	1.7
351.25296	100.0
369.26355	4.6
513.30493	4.6
548.28979	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	549.1243
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
52.53425	0.2
53.20593	0.2
60.61800	0.2
71.27792	0.3
85.02929	0.2
101.26759	0.2
137.05981	0.3
149.94501	0.2
153.01857	0.4
165.05519	0.2
201.09062	0.2
220.11894	0.3
229.04990	0.2
239.02229	0.2
247.35576	0.3
258.05255	10.6
286.04733	31.0
287.05252	0.2
301.07080	100.0
302.07364	0.6
463.12399	2.4
505.13574	0.3
530.93176	0.2
531.11151	0.3
549.12384	4.7
549.20642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.9
57.03427	16.2
67.05504	29.6
69.07056	14.0
71.47427	4.6
71.56838	5.6
79.05497	42.6
81.07068	47.2
83.04964	4.7
83.08631	9.5
85.02903	6.2
91.05063	3.5
91.05499	39.9
93.07049	48.6
95.08605	38.3
97.10162	4.2
101.64999	4.2
105.07047	34.3
105.17729	3.6
107.08591	40.2
109.06484	6.0
109.10168	14.2
117.06996	16.2
119.08606	24.4
121.10129	27.6
123.45306	4.1
125.09665	4.6
129.06970	4.1
131.08598	20.6
133.10138	26.6
135.11697	24.8
138.75192	4.3
143.08542	5.7
145.05005	4.4
145.10130	21.4
147.11690	18.9
149.13251	13.1
151.11134	5.1
157.10100	5.9
159.11708	13.6
161.13217	12.3
171.11674	3.9
173.13196	9.6
175.14787	3.9
187.14835	7.5
199.14876	7.0
201.16411	6.5
241.19525	14.6
259.20615	31.6
269.17410	12.7
277.21652	27.9
351.21201	6.0
351.25336	100.0
377.93948	4.5
393.26205	4.8
469.81201	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
53.07799	1.2
55.01881	1.6
55.05510	6.3
56.47400	1.3
56.96549	1.4
57.03428	2.2
61.02909	4.2
65.03939	1.3
67.05506	6.7
69.03429	13.3
69.07071	17.8
69.84650	6.7
71.04996	1.9
72.04504	2.2
73.02927	1.8
73.53359	1.1
79.05487	5.6
81.03416	1.7
81.07056	6.6
83.04977	13.3
83.08607	2.8
85.02905	20.4
85.06525	2.2
86.09647	1.5
87.04464	1.3
91.03955	3.7
91.05478	12.2
93.07043	8.1
95.01337	4.3
95.04963	4.3
95.08607	22.2
97.02899	7.2
97.06537	5.4
97.10150	5.7
99.04434	1.7
105.07030	16.5
107.04948	2.6
107.08590	11.7
109.02863	2.9
109.06512	3.2
109.10151	14.5
111.08059	3.3
113.02348	1.7
113.06050	1.3
117.07030	2.5
119.04977	7.4
119.08582	40.1
120.05264	3.7
120.09415	1.7
121.06519	3.3
121.10148	17.9
122.55011	1.3
123.04423	5.1
123.08079	6.7
123.11760	7.8
125.06001	3.5
127.03941	3.4
129.76642	1.3
131.08591	2.4
133.06491	2.3
133.10130	62.7
134.10934	1.7
135.08018	7.3
135.11690	1.7
137.05984	2.7
137.09641	2.3
139.03853	3.1
141.01860	2.0
141.05447	1.9
143.03400	4.5
143.08556	2.8
145.04974	3.3
145.10133	2.6
147.03235	2.2
147.04407	44.6
147.08047	3.5
147.11685	24.5
148.04749	25.3
149.06021	1.6
149.07431	5.5
151.07625	3.2
153.05450	3.2
153.09087	2.2
155.07040	1.6
157.04999	6.9
159.06514	2.0
159.11720	2.0
161.09637	1.3
161.13271	7.2
163.11197	1.8
167.07086	6.2
169.04965	2.0
169.08694	1.4
172.58952	1.4
173.13232	3.8
175.14828	73.6
176.15555	6.6
177.03928	4.0
177.05431	1.7
179.07040	4.0
179.10587	1.6
180.08675	2.1
183.06528	9.0
185.04498	3.1
185.08080	4.4
185.13252	1.8
187.14842	3.5
189.09305	1.5
191.10747	2.4
193.15849	7.6
203.05452	6.5
203.14372	2.8
207.10080	1.7
211.05995	5.8
211.09589	1.9
213.07579	4.4
213.12767	1.8
215.05496	18.4
218.08069	5.6
219.08430	4.2
225.11205	5.9
229.07076	23.8
231.08565	2.9
243.08662	7.6
245.15242	2.1
253.10733	3.8
253.15744	1.3
255.13824	2.8
257.10168	9.4
261.12576	1.4
271.11743	30.5
287.16455	3.0
291.60843	1.3
295.11316	8.9
296.11374	7.1
305.17560	6.1
315.19299	2.0
323.18732	1.3
333.16876	1.5
351.18039	100.0
361.02383	2.4
362.02618	5.6
369.19006	4.4
378.64282	1.6
384.82779	1.2
393.25995	1.4
406.72824	1.6
417.11591	3.0
418.11871	11.8
530.17126	6.6
548.27173	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	548.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01853	1.7
55.05517	11.7
56.05029	1.4
56.96571	3.1
57.03440	1.5
59.04974	1.7
62.06083	2.9
67.05498	4.0
69.03428	6.3
69.07050	2.6
70.06590	4.0
71.04977	2.6
71.08631	3.9
71.54849	1.7
72.08171	3.1
73.02895	2.6
79.05489	3.8
81.03422	9.3
81.07067	8.7
83.04990	18.5
84.08145	2.6
85.02905	9.6
86.06073	52.8
86.06613	2.5
87.04468	2.0
91.05466	5.2
93.07043	5.7
95.04950	1.6
95.08593	3.3
95.09172	1.4
96.08138	10.2
97.02876	5.7
97.06525	2.9
98.09702	26.6
98.97574	3.5
99.04460	2.9
99.08096	2.9
100.07623	2.1
101.06033	12.8
101.69909	1.3
104.07078	1.4
105.07009	2.4
107.04949	3.7
107.08591	4.5
108.08113	1.7
109.02880	8.7
109.06550	3.1
109.10146	3.1
111.04452	31.4
116.10738	61.4
116.98605	2.0
119.04917	2.6
119.08590	6.1
120.08072	1.4
121.10143	3.0
122.09674	3.1
124.07569	2.1
125.05933	1.9
127.03925	6.9
129.05487	7.8
129.06963	1.7
131.08598	2.7
133.10136	2.4
135.08032	3.3
137.06029	3.4
137.09639	3.4
140.10696	2.1
142.08656	19.6
142.12300	6.0
143.10698	10.3
145.02878	2.0
147.04431	9.2
147.06436	1.8
149.09712	1.6
150.12804	1.6
153.05475	1.7
154.08598	1.9
155.07063	9.2
157.08574	1.4
161.09531	1.9
162.09128	1.8
162.12738	2.3
163.07530	5.1
164.10728	10.9
173.08107	7.9
177.05475	3.6
178.12276	2.0
180.13893	2.8
182.15408	9.1
189.09123	1.5
190.12303	10.0
198.14847	3.4
206.11845	3.5
208.13356	12.1
214.18045	19.0
224.12874	3.5
226.14394	50.2
237.02899	1.6
244.15558	7.2
249.56737	1.3
286.16483	4.7
288.18143	3.7
301.07108	2.4
324.21579	2.5
333.99933	1.5
341.76816	1.4
352.17535	21.0
370.18628	16.5
386.25427	2.1
388.19702	68.9
450.23401	100.0
468.25919	5.2
486.27026	23.6
530.29572	12.7
548.21625	15.3
548.30597	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	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01879	5.1
55.05512	22.5
57.03430	11.7
65.03935	4.9
67.05502	86.3
68.41855	3.5
69.07070	27.6
71.05009	4.1
79.05495	49.3
81.03406	12.2
81.07057	92.1
83.04989	9.5
83.08621	22.7
85.06504	4.5
91.05474	39.6
93.02351	3.5
93.07047	72.2
95.04957	13.8
95.08606	62.5
97.06528	11.6
97.10159	9.2
105.03397	6.0
105.07041	31.1
105.56438	3.9
107.04974	4.7
107.08605	42.1
108.35287	3.4
109.10148	27.8
111.08087	4.8
117.07021	11.8
119.08573	26.9
121.10152	29.6
123.11701	12.5
125.09604	4.5
125.64291	3.7
129.07048	4.9
129.69373	3.4
131.08549	22.1
133.10127	22.9
135.11725	16.4
136.99342	3.4
143.08583	4.7
145.10126	15.5
147.07993	4.4
147.11671	20.1
149.09589	4.0
149.13281	17.6
155.08501	3.5
157.10158	6.5
159.11702	16.6
161.13243	10.3
163.11169	3.8
163.14990	3.4
164.55382	3.5
171.11665	4.3
173.13234	12.6
175.14857	4.9
195.13853	10.3
210.02814	3.7
231.61226	4.3
246.81242	3.3
261.22244	18.7
263.70880	3.8
267.15942	8.4
269.17456	30.2
301.25296	4.0
335.25922	36.8
437.34018	11.4
455.35007	11.7
469.33374	4.6
473.36182	6.6
503.37231	6.2
508.57819	3.8
529.38928	100.0
547.40039	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.2
51.02382	0.6
53.03947	1.9
55.01865	0.3
56.92686	0.2
61.02922	0.5
69.03432	9.0
70.22249	0.7
77.03916	1.1
79.05502	2.5
81.03419	0.6
85.02901	0.5
95.04971	2.8
97.02885	1.5
99.04481	1.0
105.03397	100.0
106.03719	0.5
107.04959	50.6
109.02888	0.9
123.04452	0.9
127.03920	7.2
145.04936	0.5
161.50948	0.2
183.08095	0.2
189.05574	0.2
201.09117	0.5
214.18065	0.2
223.02907	0.2
229.08609	0.5
231.06540	4.5
249.05057	0.2
249.07613	4.5
267.08646	33.2
268.08929	0.3
352.02228	0.2
363.89481	0.2
411.03992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01872	1.8
55.05517	23.2
55.79554	1.3
57.03439	6.4
57.07073	5.7
65.03950	2.4
67.05506	59.6
69.03439	3.1
69.07070	19.0
69.36333	8.5
69.36749	2.7
71.04992	5.3
71.08624	1.8
79.05492	29.1
81.03422	31.9
81.07059	61.0
83.04971	7.9
83.08620	16.5
85.02916	12.0
85.06572	2.1
91.05483	30.5
93.07047	29.5
95.04974	15.6
95.08614	42.6
96.08965	1.4
97.02918	2.0
97.06538	3.4
97.10163	8.1
98.21500	3.3
99.08117	1.9
105.07034	21.0
107.04987	6.0
107.08599	15.5
108.98771	1.3
109.06515	3.5
109.10152	15.4
111.08071	7.4
113.06006	1.3
117.07062	2.7
119.08578	18.8
121.06525	2.6
121.10138	12.5
123.08113	2.2
123.11726	9.2
125.09666	2.4
129.07024	6.2
131.08571	9.1
133.06500	2.3
133.10139	12.5
135.08113	1.7
135.11736	5.5
136.93153	4.3
137.09715	2.0
137.13255	2.9
139.11305	1.8
143.08595	1.9
145.10179	3.4
147.11707	10.1
149.09659	3.9
149.13297	4.1
154.94241	4.6
155.16362	1.3
157.10133	7.5
159.11736	2.1
161.13344	5.0
163.11235	2.6
163.14827	1.9
165.12715	2.2
172.95331	4.2
175.11195	6.4
175.14873	4.0
177.12849	1.7
190.96277	1.7
193.12238	23.7
211.13300	29.4
227.12813	2.0
228.97995	2.1
232.23682	1.4
245.22755	2.8
249.14923	1.4
253.14352	1.7
259.20767	2.5
261.22305	1.8
263.23752	3.4
267.15912	8.2
271.15204	1.5
303.26855	1.9
319.19531	2.6
319.26517	1.7
337.20724	2.0
337.27335	6.6
343.22345	1.6
437.34735	1.8
455.18744	2.5
455.35370	4.1
473.19724	12.9
473.35995	2.2
496.21634	2.0
511.38336	1.8
529.38800	16.6
547.25861	2.5
547.39948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
53.61198	0.8
54.84286	1.0
55.01871	5.4
55.05513	37.9
57.03194	1.4
57.03443	16.6
57.07082	7.8
59.04997	1.2
65.03939	3.7
67.05509	79.4
67.58436	0.8
69.03424	3.5
69.07071	35.6
71.04987	5.5
71.08641	4.9
72.04518	14.9
73.04871	1.8
79.05495	42.5
81.03421	61.0
81.07058	82.3
82.07401	1.2
83.04971	5.7
83.08621	32.9
84.26931	0.9
85.02892	2.0
85.06537	3.9
85.10191	1.2
86.96967	1.0
89.00209	0.8
91.05484	36.8
92.05795	1.3
93.07047	38.6
93.07639	2.2
94.07407	1.9
95.04974	35.3
95.08612	58.3
97.02890	2.0
97.06528	9.7
97.10168	23.6
99.08095	2.8
105.03406	1.0
105.07037	31.0
105.36703	1.0
107.04959	12.3
107.08599	27.7
109.06509	6.7
109.10162	28.9
111.04456	1.8
111.08091	7.8
111.11725	3.3
113.09654	1.0
115.05474	2.9
117.07032	9.3
119.04950	2.3
119.08585	24.4
121.06525	8.8
121.10149	19.9
123.08069	4.1
123.11709	10.4
125.09628	12.7
126.68398	0.9
129.07008	9.5
131.08589	16.8
133.06528	3.5
133.10143	17.1
135.08072	2.9
135.11711	12.2
137.09634	3.8
137.13261	3.4
139.11194	1.1
142.07776	2.3
143.08597	4.1
145.10143	10.4
147.08066	3.8
147.11702	13.0
149.09621	5.4
149.13283	5.8
151.11212	2.3
151.14827	1.3
153.09102	1.8
153.12817	2.2
155.08656	1.2
157.10115	8.4
158.10628	0.9
159.11694	6.6
161.09636	1.3
161.13255	5.7
163.11185	9.1
163.14838	3.8
164.11554	2.8
165.12761	2.5
165.16388	1.8
169.10161	2.4
171.11708	2.4
173.13274	2.2
175.11198	7.9
175.14859	4.3
177.12770	3.8
177.16382	3.2
181.10161	1.2
183.11652	2.3
185.13287	2.9
187.11201	1.5
187.14804	2.2
189.09428	1.4
189.11247	6.7
189.12790	1.4
189.16438	3.3
191.18091	1.1
193.12257	24.2
199.14888	2.2
201.16367	2.1
203.17981	1.6
205.12175	2.4
207.13882	1.1
211.13301	3.6
217.19589	1.1
220.13336	1.3
223.13252	1.7
223.15186	1.0
227.10747	1.5
227.12712	10.1
228.11093	1.3
228.13162	3.4
229.13620	1.0
241.17987	3.9
243.16022	2.1
245.22685	5.8
249.14740	4.9
261.22369	1.1
263.23697	9.0
265.14288	1.2
267.15915	62.9
275.20160	1.8
285.25809	1.3
287.23773	1.0
289.21661	3.1
301.25336	1.2
303.23477	2.1
303.26700	13.5
311.23508	1.3
319.26358	1.7
329.20187	1.6
337.27386	55.3
339.26712	1.1
341.19412	2.3
343.26382	1.2
345.28244	1.0
361.27475	2.5
363.25305	2.0
375.29425	1.2
396.25500	1.7
397.25711	3.9
403.24789	1.6
417.26459	1.6
419.32968	2.2
421.25903	3.0
427.35864	1.9
435.27615	2.6
437.33856	6.4
455.35153	20.8
473.36288	12.5
491.37265	1.5
503.37387	1.9
511.37631	2.5
529.38928	82.7
547.39948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
52.01480	0.2
55.01867	0.5
58.99576	0.7
59.56616	0.2
61.01143	1.0
62.50010	0.2
65.03928	0.8
70.02952	0.2
70.66177	0.4
70.66501	0.4
72.04517	1.3
73.02908	0.3
77.00643	0.4
78.03807	1.3
85.06522	0.3
86.06084	0.5
88.02209	0.9
91.05489	5.0
95.04982	1.3
95.62428	0.2
98.02415	0.7
98.21516	0.3
99.05561	0.3
102.03770	2.6
104.01706	0.6
111.40833	0.2
113.06006	0.5
114.03763	1.5
115.05045	0.3
116.03441	0.2
118.03259	0.4
119.04948	15.3
121.06514	0.9
123.04453	2.4
124.07575	0.5
125.07193	0.3
130.03204	0.5
130.08659	0.2
131.06381	1.6
132.04791	2.4
141.06505	0.3
142.08633	1.7
147.04417	100.0
148.04721	0.3
149.07445	9.9
158.02696	0.5
159.05856	0.5
175.05383	1.4
176.89061	0.2
184.09758	0.9
218.08130	13.5
243.11536	0.4
250.11484	0.2
261.12714	4.0
277.10239	0.5
295.11121	21.3
361.02228	1.4
407.16315	1.9
417.11517	23.7
487.06781	0.3
522.61023	0.2
529.16797	9.7
547.20386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03939	0.8
55.01873	0.5
55.05516	2.3
57.03434	0.5
57.07071	0.4
59.05008	0.4
65.03915	1.2
67.05514	3.2
67.15240	0.3
69.03436	2.5
69.07063	1.8
71.05000	2.7
71.54757	0.4
73.93571	0.2
79.05492	2.9
81.03425	2.0
81.07063	5.2
83.04993	0.3
83.08616	1.0
84.96059	0.5
85.02912	1.4
85.06537	1.0
91.05485	11.8
93.07044	4.0
95.04976	1.6
95.08618	2.9
96.67747	0.3
97.02892	0.9
97.06516	2.4
97.10157	0.8
98.97591	0.4
99.08086	0.4
103.05484	0.4
105.03396	11.2
105.04507	0.5
105.07028	4.0
106.03721	3.5
106.34789	0.2
107.04961	8.3
107.08593	5.5
108.05262	1.3
109.02876	0.8
109.06494	0.5
109.10166	3.7
111.08061	0.4
117.07043	0.6
119.04947	22.0
119.08576	3.5
121.02827	0.3
121.06518	1.1
121.10155	2.4
123.04391	0.6
123.08133	0.4
123.11718	1.6
125.09628	2.2
127.03871	1.3
127.11153	1.4
129.07063	0.3
131.04916	2.2
131.08571	0.9
133.06483	1.6
133.07318	0.3
133.10126	3.0
135.04396	0.3
135.08081	0.5
135.11696	4.8
137.09621	0.7
137.13231	0.4
139.11203	0.3
142.07698	0.3
143.08562	0.6
143.10670	3.7
145.06497	1.0
145.10143	1.3
147.04413	100.0
147.11694	2.2
148.04759	0.4
149.09630	0.4
149.13309	1.0
151.11063	0.3
153.12755	1.0
155.08591	0.3
157.06476	0.7
157.10115	0.8
159.04424	2.1
159.08066	0.8
159.11725	1.4
161.05957	0.8
161.09612	0.6
161.13260	1.1
163.03934	0.6
163.07491	0.4
163.11172	0.6
165.05508	2.2
165.09099	0.4
165.12798	0.4
167.23462	0.3
169.10141	0.4
170.07347	0.3
171.08038	0.7
171.11708	0.5
173.09596	0.4
173.13184	0.5
175.11252	0.5
175.14746	0.5
177.05501	1.1
181.12286	0.4
183.08080	0.3
185.09636	0.7
185.13176	0.6
187.11183	0.7
187.14848	0.3
189.05431	0.4
189.09084	0.3
191.14426	0.3
193.12202	0.4
195.08072	0.3
197.09656	0.3
197.13176	0.3
199.07544	0.4
199.09557	0.3
199.11243	1.4
199.14825	0.4
201.12790	0.4
201.16423	0.3
203.10547	0.3
203.17964	2.3
205.01573	0.3
209.09644	0.4
211.11240	0.6
213.09218	0.5
213.12750	0.4
215.17944	0.3
219.17430	0.4
221.19014	2.1
227.10788	0.6
229.14398	0.5
231.06448	0.4
231.17412	0.3
239.14296	0.3
243.06569	0.3
243.13853	0.5
249.07626	0.5
253.15958	0.8
254.33516	0.2
259.09875	0.4
263.14273	0.8
267.08661	2.0
268.09006	1.8
273.14981	0.3
279.08527	0.3
279.17352	0.3
281.15414	0.7
285.10034	0.3
285.14938	0.4
287.05511	1.9
291.08694	0.7
301.14407	1.1
309.09692	3.0
311.12933	0.4
311.20004	0.4
329.21082	0.7
339.23083	1.2
347.22171	0.6
349.21533	1.4
355.15283	0.8
367.22668	4.6
375.17810	0.3
385.12463	0.5
385.23901	0.5
391.11765	0.5
511.27301	0.6
517.27850	0.5
527.64258	0.2
529.28052	1.3
547.31396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.77092	0.4
55.01852	0.6
55.05520	3.1
57.03437	0.5
57.07069	0.5
59.05010	0.5
65.03931	1.8
67.05505	3.9
68.98727	0.5
69.03426	1.8
69.07073	2.8
69.23915	3.6
69.24328	1.2
71.04993	3.3
75.01450	0.4
79.05501	4.1
81.03429	2.3
81.07057	12.3
83.04985	0.8
83.08623	2.3
85.02906	1.5
85.06529	1.2
85.75333	0.5
91.05484	12.8
93.07051	7.4
95.04986	1.7
95.08611	4.9
97.02876	0.9
97.06525	2.2
97.10184	1.1
98.20783	0.9
98.97582	0.6
99.04479	0.4
99.08083	1.0
103.05471	1.1
105.03391	2.9
105.07035	5.3
106.03708	1.0
107.04955	6.1
107.08600	8.9
108.05276	0.7
109.02914	0.7
109.06495	1.0
109.10159	5.4
111.08086	0.5
115.05463	0.6
117.07008	0.9
117.70358	0.5
119.04951	24.5
119.08591	6.2
121.06532	0.9
121.10168	2.9
122.88066	0.5
123.04402	0.8
123.08050	0.7
123.11720	2.5
125.09631	3.3
127.03911	1.1
127.11192	3.2
129.07004	0.9
131.04938	2.5
131.08609	1.2
133.06516	2.2
133.10139	5.1
135.11691	11.8
137.09595	0.8
137.13261	0.8
143.10677	5.2
145.06487	1.0
145.10129	1.5
147.04419	100.0
147.11707	2.9
148.04773	0.8
149.06062	0.6
149.13251	1.3
153.12727	3.0
153.92108	0.5
157.06503	1.3
157.10167	0.6
159.04442	5.3
159.11737	1.5
161.05951	1.5
161.13263	1.4
163.11096	0.6
165.05472	2.0
165.06764	0.5
165.12898	0.6
171.08038	0.8
171.11560	0.6
173.05991	0.6
177.05515	1.6
183.08038	1.0
185.05931	0.6
185.09654	0.6
189.09128	0.5
189.16434	0.9
191.17961	0.5
195.08176	0.8
197.09863	0.5
199.07593	0.9
199.11203	1.6
203.17937	5.5
207.12146	0.5
207.17418	0.5
209.09657	0.9
213.09109	0.6
221.19055	5.5
227.10661	2.0
253.15929	1.0
263.14392	0.9
275.20117	0.5
276.88162	0.5
281.15421	1.7
301.14539	0.7
309.09702	1.5
321.22360	0.8
329.21198	1.0
339.23370	0.9
349.21759	1.9
355.15558	0.6
367.22641	6.0
385.13071	0.6
385.23752	0.7
391.11560	1.8
511.27115	0.8
529.28070	1.4
547.15857	1.6
547.24493	0.9
547.32788	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	546.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
51.64269	0.2
53.03952	3.6
55.01865	0.6
55.05483	0.3
60.62880	0.2
61.02923	0.5
61.56878	0.2
67.05505	0.3
69.03433	8.9
69.07051	0.4
69.34525	2.0
70.81358	0.2
71.04973	0.3
71.07318	0.2
77.03949	0.9
79.05504	3.6
79.63377	0.3
81.03424	4.2
81.07046	1.0
83.08627	0.3
84.10419	0.3
85.02913	2.6
87.68018	0.2
91.05462	0.6
93.07058	0.9
95.04971	3.3
95.08630	0.5
95.62519	0.2
97.02895	3.6
97.06539	0.3
99.03856	0.3
99.04463	1.1
103.03938	0.8
105.03396	100.0
105.07011	0.7
107.04958	48.3
107.08600	0.6
109.02877	3.0
112.20208	0.2
118.06626	0.2
119.04939	0.6
119.08586	0.4
121.06554	0.3
121.10150	0.6
123.04432	2.8
123.11679	0.4
127.03918	8.3
129.07001	0.3
131.04958	0.3
131.08527	0.3
133.06436	0.3
133.10152	0.5
135.11702	0.4
135.62502	0.2
145.04929	1.5
145.10190	0.4
146.06041	0.3
147.04390	1.9
147.11636	0.3
148.04802	0.4
159.08072	0.5
159.38052	0.2
161.05977	0.4
165.05412	0.3
172.05376	0.7
173.06024	0.3
187.07597	1.1
188.51756	0.2
189.05539	0.3
197.06030	0.4
211.07755	0.4
215.07048	3.4
231.06531	8.1
249.07599	7.0
267.08649	27.6
334.10516	0.3
337.10858	0.6
355.11887	0.5
373.13055	0.3
384.11731	0.4
489.29358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83323	6.8
53.03951	13.0
55.01866	15.8
55.05507	49.7
57.03434	38.6
67.05510	66.0
69.03437	15.4
69.07068	26.3
70.85723	17.4
71.04998	10.8
79.05494	75.4
81.03417	100.0
81.07074	61.7
83.04984	35.7
83.08640	35.6
85.02926	37.2
91.05492	72.3
93.07063	53.2
95.04971	49.6
95.08620	40.6
97.02893	17.3
97.06541	20.8
97.10181	27.1
105.03389	66.7
105.07027	53.7
106.78595	7.1
107.04961	42.7
107.08591	26.6
109.06511	15.0
109.10181	20.3
111.08079	23.8
113.05993	7.5
116.04740	12.4
119.08610	39.5
119.91638	8.0
121.10168	24.1
123.08089	22.9
123.11696	9.0
125.09640	25.5
129.05486	34.5
129.07027	23.6
129.85362	7.8
131.08585	31.5
133.06502	11.8
133.10143	33.6
135.08051	9.2
135.11700	14.2
145.10138	9.7
147.04420	20.0
147.11691	31.3
148.04707	13.1
149.09659	14.9
157.08687	12.8
157.10168	26.1
163.03801	12.3
163.11133	13.2
167.17714	7.6
171.10182	11.0
175.11206	18.6
179.14311	11.8
181.50351	7.1
189.11201	12.5
193.12268	66.7
211.13284	90.6
215.06963	11.0
221.94530	7.9
227.12677	17.2
259.09583	42.2
267.08658	17.5
267.16028	32.1
285.16968	62.3
297.03928	9.9
301.16446	88.3
331.26184	9.0
405.29984	61.3
426.00281	9.4
493.27969	17.2
511.28998	52.6
546.31494	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	546.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
50.92621	0.2
51.02380	0.6
51.57923	0.3
53.03960	2.2
57.14967	0.3
60.39654	0.3
61.02932	0.3
62.05648	0.3
69.03432	8.4
71.08051	0.6
77.03931	1.0
77.08610	0.3
79.05492	1.9
81.03425	0.5
85.02905	0.6
95.04957	2.2
97.02904	1.3
98.21538	0.3
99.04465	1.0
105.03398	100.0
107.04961	30.4
109.02847	0.5
123.04450	1.0
127.03920	8.4
131.73395	0.3
145.04967	0.6
231.06506	3.6
249.07626	4.1
267.08646	24.1
361.63467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
53.52387	1.0
54.40678	1.0
55.01860	4.5
55.05270	2.0
55.05513	26.0
55.55962	1.1
57.03439	8.9
57.07072	1.8
57.23986	1.1
58.68034	1.1
65.03939	2.7
67.05509	54.0
69.03430	3.5
69.07079	12.7
71.04993	4.4
79.05498	30.1
81.03426	21.1
81.07058	45.8
83.05006	6.3
83.08634	17.4
85.06547	2.4
91.05487	24.0
93.07048	31.2
95.04970	17.5
95.08612	32.4
96.52968	1.1
97.06538	3.0
97.10175	17.3
103.05470	1.6
105.07035	23.9
105.07695	2.0
107.04968	4.4
107.08583	20.1
108.59058	1.3
109.06517	3.8
109.10165	19.4
111.08103	3.9
115.05457	1.4
117.07029	14.9
119.08591	20.1
121.06506	5.4
121.10151	13.8
123.08083	3.8
123.11713	6.4
125.09641	11.7
129.07018	6.2
131.08580	19.5
133.06525	1.8
133.10141	15.5
135.08086	4.8
135.11702	9.3
137.09647	2.6
137.13251	1.6
141.07097	1.3
142.07828	1.2
143.08609	6.4
145.10121	12.9
147.08070	3.6
147.11684	12.8
149.09660	3.5
149.13289	4.9
151.11215	2.2
153.09123	1.7
155.08545	2.0
157.10147	7.3
159.11710	9.2
161.13283	5.6
163.11198	2.1
163.14842	2.5
165.12721	1.7
169.10138	3.8
171.11754	4.7
173.11879	2.0
173.13228	8.2
175.11249	4.6
175.14880	4.4
177.12695	1.6
183.11696	3.2
185.13264	5.0
187.13373	1.3
187.14847	3.6
189.11267	9.1
189.16400	1.7
193.12305	8.5
196.36349	1.3
197.13333	1.4
199.14871	3.1
201.16408	1.8
203.14378	1.3
227.12769	10.7
229.47635	1.7
233.15430	1.9
243.21112	3.7
247.16881	2.0
261.22153	9.9
267.15927	19.1
273.22394	2.0
279.23224	1.4
285.22220	2.9
299.23804	2.0
301.21997	1.6
301.25204	11.5
317.24670	2.7
327.23648	1.6
335.25912	15.0
359.25934	1.2
403.24515	1.4
421.26050	4.1
435.27267	1.7
435.32660	6.6
449.29202	2.0
453.33752	9.7
471.34616	8.5
475.30331	1.8
509.36203	3.2
527.37329	52.7
545.38403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.03955	6.5
53.89735	1.0
55.01869	3.9
55.05513	23.7
57.03447	9.3
57.07092	1.6
57.84457	1.0
59.04997	1.8
62.97893	1.0
65.03938	2.0
67.05509	48.9
69.03426	2.0
69.07071	12.4
71.04990	4.4
77.03936	1.8
79.05497	48.9
81.03425	34.4
81.07064	48.0
83.04974	9.2
83.08624	16.3
85.02914	15.5
85.06576	2.4
91.04917	1.6
91.05490	41.0
93.07050	47.3
95.04966	17.5
95.08615	28.6
97.06526	5.0
97.10187	5.8
98.21524	2.6
105.04517	1.2
105.07037	29.5
107.04964	5.3
107.08601	21.2
109.06534	3.5
109.10170	11.5
111.08067	7.4
113.06040	2.5
115.05447	2.0
117.07004	8.6
119.08593	23.3
121.06525	2.5
121.10150	16.3
123.08031	2.1
123.11707	4.7
125.09628	4.5
128.06180	1.2
129.07008	7.7
131.08580	16.5
133.06477	2.2
133.10141	13.9
135.08066	1.8
135.11714	8.5
137.09639	2.4
141.06956	1.3
142.07829	2.0
143.08600	3.1
145.10117	7.3
147.08087	1.7
147.11684	13.8
149.09637	3.0
149.13275	3.2
155.08531	1.9
157.10138	7.0
159.11697	4.8
161.13289	2.6
163.14874	2.0
163.19275	1.1
165.12852	1.8
169.10083	2.3
171.11740	3.4
173.13260	3.2
175.11182	7.4
175.14836	2.0
177.16357	1.2
183.11674	1.7
185.13300	2.2
187.14815	2.5
189.11272	1.8
193.12251	29.9
211.13295	34.5
227.12753	2.6
261.22162	4.4
267.15927	8.7
285.22144	2.0
301.25296	2.3
317.24823	2.6
335.25922	4.5
349.20798	1.1
435.32581	3.9
453.33743	4.1
471.34705	2.3
509.36096	1.4
527.37317	20.8
545.38403	100.0
546.38812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.2
53.03938	3.5
55.01862	2.4
55.05516	16.0
57.03445	4.4
57.07059	1.4
65.03940	2.2
67.05506	40.7
69.03420	1.7
69.07066	10.5
70.79371	2.0
71.04993	4.0
79.05498	38.4
81.03423	29.0
81.07059	37.9
81.35851	0.7
83.04968	5.4
83.08159	0.9
83.08627	12.6
85.02901	13.4
85.06540	1.9
91.05485	30.8
93.07047	37.1
95.04976	13.7
95.08610	25.3
95.32020	0.7
97.02902	1.4
97.06530	3.1
97.10159	4.0
99.08106	1.4
103.05445	1.2
105.04528	0.9
105.07032	23.3
107.04948	3.1
107.08598	16.5
109.06556	2.8
109.10162	10.5
111.04451	1.1
111.08067	7.0
113.06065	1.4
115.05475	0.9
117.07027	5.8
119.08579	17.6
119.09377	1.4
121.06554	1.3
121.10142	18.0
123.08054	2.1
123.11741	3.7
125.09673	2.6
129.06995	6.8
131.08572	14.3
133.06499	1.9
133.10141	13.9
135.11700	7.2
137.09595	0.9
142.07784	2.0
143.08575	2.3
145.10136	6.6
147.08037	1.2
147.11691	12.7
149.09639	3.3
149.13249	4.5
157.10115	7.8
159.11707	4.9
161.13281	2.9
163.14868	1.1
165.12779	1.8
168.15182	0.9
169.10229	0.9
171.11659	2.0
173.13297	4.2
175.11179	7.9
175.14882	1.8
183.11646	1.4
187.14842	1.0
189.11220	1.1
193.12248	29.7
197.13277	1.1
198.75926	0.8
199.14711	1.0
211.13292	33.2
227.12781	2.0
243.21121	1.2
247.16946	1.0
261.22122	4.7
267.15970	6.6
285.22119	1.0
301.25204	3.8
317.24924	1.7
335.25882	5.9
417.31650	0.9
435.27206	1.1
435.32578	2.0
453.33838	3.9
471.34747	2.1
509.36115	1.2
527.30042	1.5
527.37427	16.9
527.45386	1.2
545.38416	100.0
546.39130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05310	4.0
55.05514	48.6
57.03440	4.9
57.07075	10.8
61.95499	4.0
63.94454	3.8
65.03952	5.4
67.05503	87.9
69.03426	8.7
69.07069	51.4
69.16541	22.9
69.16969	15.4
71.05009	7.6
71.08650	4.6
79.05497	59.1
81.07057	82.3
83.04966	5.8
83.08635	34.0
85.06535	5.8
85.10200	4.7
89.05994	4.1
91.05480	32.9
93.07045	80.1
95.04974	9.6
95.08607	96.3
97.02944	3.9
97.06543	10.8
97.10179	18.7
98.20753	8.3
99.08115	7.3
99.18101	4.2
105.07022	23.4
107.04960	6.4
107.08589	58.6
109.10163	35.4
111.08125	7.8
111.11706	8.7
117.07021	16.5
117.61758	3.8
119.08567	23.8
121.06576	4.8
121.10151	46.2
123.11716	11.8
125.09635	10.8
131.08553	12.0
133.10138	13.2
135.08134	4.1
135.11690	55.6
137.13292	6.2
139.11108	4.1
143.08575	6.8
145.10098	19.3
147.11746	9.1
149.13278	11.6
153.12701	4.8
156.49330	3.7
159.11707	7.7
161.13258	13.5
163.11171	42.6
181.12251	5.1
187.14798	5.5
217.19543	14.0
219.21144	4.8
227.12776	78.0
235.20609	26.3
237.22108	17.8
253.21652	13.6
255.23177	11.7
261.22174	6.6
271.22668	4.8
471.41824	15.5
489.43216	41.5
507.44119	14.0
543.36725	100.0
543.54767	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21560	0.8
53.03946	4.4
55.01870	2.4
55.05516	19.1
56.50860	0.8
57.03444	8.7
57.07050	1.3
62.64830	1.1
65.03923	2.2
67.05505	43.3
69.03426	2.9
69.07073	12.9
70.58602	2.8
70.58958	1.1
71.04990	3.0
79.05495	43.2
81.03423	32.3
81.07059	35.9
83.04996	7.0
83.08620	13.8
85.02917	14.8
85.06538	1.8
91.05480	33.1
93.07048	37.4
95.04969	14.9
95.08614	24.5
97.02884	1.9
97.06527	1.6
97.10187	6.3
103.05453	1.3
105.04538	1.8
105.07034	26.4
107.04958	2.4
107.08601	18.9
108.62055	1.0
109.06535	2.9
109.10175	10.8
110.68955	0.9
111.08096	5.5
113.05984	1.1
115.05509	1.6
117.06998	5.9
119.08585	18.6
119.09371	1.6
121.06490	1.3
121.10143	16.3
121.10957	1.8
123.08076	2.3
123.11700	3.8
125.09641	3.6
128.06259	1.5
129.07030	6.4
131.08575	13.8
133.06525	1.6
133.10141	11.9
135.11687	9.3
142.07797	2.0
143.08598	2.2
144.98900	1.0
145.10132	6.9
147.08055	1.6
147.11678	9.7
149.09625	2.3
149.13261	4.0
157.10159	6.9
159.11714	5.8
161.09697	1.1
161.13260	3.1
165.12744	1.8
169.10098	1.4
171.11688	1.7
173.13336	2.7
175.11176	6.9
175.14879	2.5
185.13263	2.1
187.14778	1.5
189.11211	1.2
193.12262	31.0
197.13278	1.8
199.14851	1.4
204.41484	1.0
209.73456	1.0
211.13301	33.1
211.15295	1.9
227.12761	1.5
261.22192	4.2
267.15979	7.1
285.22021	1.3
299.23715	1.4
301.25366	3.1
304.01373	1.1
317.24835	1.7
335.25790	4.7
435.32516	2.9
453.34039	2.3
471.34967	2.5
527.37274	17.2
545.38391	100.0
546.38837	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01871	2.9
55.05264	1.8
55.05513	20.2
56.32899	0.8
56.80584	0.9
56.91526	1.0
57.03439	6.6
57.07079	2.1
59.04979	1.2
65.03926	1.3
67.05507	41.9
68.72652	1.0
69.03434	2.9
69.07072	12.1
70.80999	2.1
70.81334	1.6
71.04985	3.6
77.03912	1.0
79.05497	37.0
81.03422	26.4
81.07060	44.2
81.45118	1.0
83.05007	5.1
83.05402	0.9
83.08628	14.3
85.02911	9.9
85.06519	1.2
91.05489	28.5
93.07045	32.3
95.04971	16.2
95.08611	23.6
97.06522	4.2
97.10178	8.9
105.07043	20.6
107.04948	3.4
107.08597	18.2
109.06547	3.3
109.10164	11.9
111.08092	5.5
117.07018	8.4
119.08589	18.6
121.06515	2.6
121.10146	16.8
123.08077	3.1
123.11713	4.4
125.09639	4.5
128.06194	1.3
129.07019	8.9
131.08580	13.7
133.06505	2.0
133.10141	13.2
135.08066	2.2
135.11690	6.0
137.09637	1.9
139.11192	1.0
142.07834	1.3
143.08565	4.2
145.10094	9.4
147.11682	10.6
147.12778	1.1
149.09624	2.8
149.13300	3.8
155.08562	1.5
157.10117	7.3
159.08148	1.4
159.11702	9.0
161.13232	4.7
163.11256	1.4
165.12804	1.5
169.10130	2.0
171.11723	2.8
173.13292	6.0
175.11191	5.3
175.14819	1.5
175.39371	1.1
183.11745	1.7
185.13358	2.3
187.11217	1.1
187.14886	2.1
189.11230	2.1
193.12259	20.5
197.13301	2.3
209.13173	1.4
211.13295	24.0
211.15218	1.3
227.12762	4.9
260.83023	0.9
261.22128	4.5
267.15869	8.8
275.20224	1.2
287.20035	1.0
296.55420	1.1
301.22314	1.2
301.25195	5.1
303.23248	2.0
317.24814	1.3
326.45181	1.1
333.24365	1.0
335.25925	7.0
359.26245	1.1
421.25964	1.2
435.32797	2.1
453.33676	5.4
461.28745	1.2
471.34854	3.0
527.37366	28.1
545.38440	100.0
546.37891	1.1
566.75580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3686
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03943	2.0
55.01867	2.2
55.05516	14.8
57.03437	3.0
57.07072	1.5
65.03929	1.3
67.05514	23.7
69.03429	1.5
69.07076	7.9
71.04997	1.8
79.05501	15.8
81.03430	6.9
81.07063	20.6
83.04986	2.4
83.08630	7.7
85.06544	1.5
91.05486	17.4
93.07061	15.0
95.04985	5.7
95.08622	12.6
97.06548	2.4
97.10192	7.3
98.20589	1.3
103.05487	0.8
105.07040	15.7
107.04974	2.8
107.08605	10.1
109.06554	1.5
109.10167	9.5
111.08101	1.8
115.05459	1.8
117.07024	11.6
119.08591	12.8
121.06538	3.7
121.10145	5.4
123.08092	2.3
123.11718	2.4
125.09649	6.0
128.06241	2.2
129.07016	10.0
130.07797	1.0
130.38260	0.8
131.05008	0.7
131.08589	12.4
133.06511	1.9
133.10147	7.5
135.08087	3.0
135.11716	3.5
137.09624	1.6
139.11192	1.2
141.06958	4.3
142.07822	1.5
143.08565	8.6
145.06491	2.6
145.10133	11.8
147.08057	1.8
147.11714	4.9
149.09630	2.2
149.13293	1.6
154.07838	1.1
155.06036	0.8
155.08575	6.4
157.10164	8.4
159.08104	2.5
159.11717	6.9
161.09642	1.6
161.13287	2.9
163.11200	1.0
165.06985	0.7
167.08617	3.0
168.09445	1.0
169.10149	8.4
171.08163	1.0
171.11707	6.7
173.09636	1.4
173.11865	1.3
173.13287	3.9
175.11224	1.7
175.14908	1.0
179.08672	1.2
181.10135	2.6
183.08145	0.8
183.11705	4.8
185.09656	1.9
185.13248	6.8
187.11249	2.6
187.14845	3.0
189.11258	1.7
193.10149	1.4
193.12341	2.2
195.11783	4.1
197.09732	0.9
197.13304	3.8
199.14871	2.4
201.12837	1.1
201.16374	0.9
209.13380	3.3
211.14879	2.9
213.12907	1.0
213.16505	1.2
221.13271	1.1
223.14948	2.2
225.16370	1.5
227.12872	2.9
229.14377	1.6
237.16432	1.7
241.19638	0.8
257.19202	0.8
259.20728	1.7
267.15991	2.5
277.21890	0.7
283.20541	2.0
285.18579	0.8
297.22211	3.0
299.20474	1.1
299.23807	4.5
301.21783	1.1
315.23282	1.4
327.23447	1.4
333.24429	0.9
353.25159	0.9
357.24451	2.0
371.26193	1.1
415.30151	2.3
423.32846	2.2
433.31088	6.2
451.32141	10.0
469.33255	4.8
487.34363	1.0
489.33469	0.9
507.34781	3.2
515.37323	1.3
525.29559	0.8
525.35779	22.2
543.36859	100.0
544.36969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01871	3.0
55.02072	0.6
55.05512	13.7
57.03412	2.5
57.07050	1.9
65.03908	2.3
67.05505	33.4
69.03401	1.8
69.07069	9.7
71.04989	3.1
71.08617	0.6
72.25639	0.5
73.02898	1.3
77.03889	0.8
79.05492	40.3
81.03394	2.2
81.07056	31.0
82.17246	0.5
83.04996	3.4
83.08620	8.1
85.06546	1.3
91.05482	19.1
93.07045	53.4
94.74101	0.6
95.04475	0.6
95.04976	7.6
95.08607	40.4
97.02888	3.4
97.06536	3.7
97.10133	1.5
98.20607	1.1
99.04458	3.2
99.08068	0.6
103.05462	0.9
105.07030	13.8
107.04310	0.6
107.04960	6.5
107.08594	32.7
109.06516	2.6
109.09496	0.5
109.10149	6.9
111.04488	0.6
111.08053	1.5
115.05415	0.8
117.07015	12.6
119.07820	1.0
119.08584	14.1
121.06523	5.4
121.10147	18.0
123.08052	0.7
123.11682	2.2
124.50842	0.5
125.05964	2.0
125.09637	0.7
128.06204	0.5
129.07027	0.6
130.07756	1.6
131.08574	4.6
133.10132	4.9
135.08087	2.8
135.11693	42.3
139.07533	1.2
143.08543	1.1
145.10130	24.3
147.11668	3.0
149.13240	3.0
153.12679	0.8
158.08696	0.6
159.11644	2.2
161.13254	1.7
163.11183	46.5
173.13248	2.4
175.14813	0.6
181.12225	11.4
187.14842	0.9
187.20618	0.6
209.11707	1.4
227.12785	100.0
242.90321	0.5
243.21173	1.1
261.22119	5.4
317.24771	2.3
469.33347	0.7
530.46802	0.6
543.36871	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03933	2.1
53.54717	0.6
55.01874	3.0
55.05513	14.1
57.03431	2.9
57.07075	1.3
65.03931	1.3
67.05506	26.3
69.03426	1.2
69.07069	9.6
69.20179	2.9
69.20613	3.4
71.04993	2.3
77.28952	0.6
79.05495	17.5
81.03431	6.0
81.07054	21.3
83.04996	2.8
83.08624	7.9
85.06540	1.8
91.05488	17.2
93.07050	14.8
95.04961	5.6
95.08607	13.3
97.06536	2.5
97.10172	8.5
103.05512	0.8
105.07039	18.8
107.04979	2.8
107.08595	10.4
109.06529	2.0
109.10172	10.0
111.08107	1.8
115.05468	1.1
117.07009	10.3
119.08582	13.2
119.09372	1.2
121.06520	2.9
121.10143	6.0
123.08051	1.1
123.11716	2.2
125.09606	4.5
125.59817	0.7
128.06253	2.2
129.07008	9.6
130.07773	0.9
131.08566	14.1
133.06502	1.8
133.10127	7.7
135.08083	2.2
135.11690	3.4
137.09593	0.7
139.11140	0.7
141.06960	3.2
142.07819	2.1
143.08566	11.9
145.06509	3.0
145.10121	13.4
147.08092	1.7
147.11684	7.1
149.09639	2.2
149.13287	1.1
153.06993	0.7
154.54594	0.7
155.08571	6.8
156.09334	1.3
157.06508	0.9
157.10143	8.5
159.08083	2.7
159.11702	9.4
161.09634	1.5
161.13261	3.7
163.11299	0.9
167.07069	1.0
167.08580	1.8
169.10117	6.9
171.08096	1.6
171.11688	6.9
173.09596	2.2
173.11880	1.4
173.13251	5.8
175.11197	1.3
175.14886	1.2
177.12749	1.1
179.08617	1.1
179.14369	0.9
181.10147	3.2
183.11684	5.0
185.09628	1.4
185.13264	5.2
187.11232	1.9
187.14850	2.9
189.11270	2.0
189.12817	0.7
193.10339	1.5
193.12158	1.6
195.11742	2.7
197.13300	4.7
199.11227	1.2
199.14882	2.5
201.12752	1.9
201.16397	1.3
207.11713	1.0
209.13310	2.7
211.11313	1.1
211.13194	1.0
211.14990	2.0
213.12820	1.3
213.16464	1.2
215.14346	1.1
221.13280	1.7
223.14886	2.3
225.16367	1.1
227.12791	2.4
227.14658	0.9
229.14357	1.6
237.16434	1.5
239.17989	1.2
241.19510	1.2
247.16986	0.7
257.19128	1.4
259.20569	3.1
267.15961	2.9
275.20322	1.0
277.21899	1.0
283.20648	1.5
285.09976	0.9
295.20520	0.8
297.18845	1.1
297.21948	3.4
299.23642	4.9
301.21664	0.9
313.21851	1.0
315.23340	1.5
321.22052	0.9
325.21835	1.2
327.23590	0.9
333.24265	1.4
339.23389	0.9
341.24823	0.9
347.23795	0.7
351.23743	0.9
353.24881	1.3
357.24142	0.8
371.25604	1.0
405.31772	0.7
415.30038	1.9
423.32797	1.8
433.31097	6.7
435.27362	0.7
451.32208	8.6
469.33130	5.1
471.32224	1.0
481.72992	0.7
487.34009	1.1
507.34656	2.0
515.37427	2.2
525.35742	22.4
535.59332	0.7
543.36865	100.0
544.37073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.6
53.03923	2.8
55.01871	3.7
55.05514	14.7
57.03416	2.5
57.07064	1.6
64.11768	0.7
65.03915	2.2
67.05508	40.2
69.03434	1.3
69.07075	11.3
71.04967	2.7
73.02890	0.8
77.03931	0.8
79.05499	47.8
81.03400	3.1
81.07061	38.9
81.07761	0.9
83.04998	4.2
83.08629	8.9
85.02868	0.7
85.06512	1.5
91.05489	23.7
93.07050	57.6
95.04971	9.4
95.08612	45.3
97.02860	2.6
97.06532	4.5
97.10141	2.6
99.04428	2.9
103.05419	1.6
105.04530	1.4
105.07037	19.2
107.04958	7.7
107.08598	34.5
109.06526	1.7
109.10144	8.3
111.04443	1.2
111.08064	2.7
113.09631	0.7
115.05414	1.4
116.06171	0.9
117.07014	11.7
119.07819	1.0
119.08591	14.1
121.06502	6.6
121.10149	20.6
123.08089	1.0
123.11677	1.5
125.05984	1.8
125.09671	1.1
129.06984	3.8
130.07771	2.4
131.08577	6.6
133.10130	8.0
135.08035	2.6
135.11702	39.8
137.09596	0.7
139.07501	0.9
139.11215	0.8
141.07033	1.2
143.08517	2.8
145.10127	28.3
146.85822	0.7
147.11708	3.2
149.09656	0.8
149.13243	3.6
153.12738	0.9
155.08559	1.5
157.10123	1.9
159.11684	3.8
161.13286	2.7
163.11192	49.1
169.10110	1.6
171.11633	1.5
173.09654	0.9
173.13232	2.5
175.14816	1.1
175.70410	0.8
179.08565	0.7
179.14156	0.9
181.12245	12.7
183.11647	1.3
185.13393	0.8
187.11252	0.8
187.14734	0.9
189.11177	1.0
209.11668	2.3
210.14378	0.8
227.12790	100.0
235.55475	0.7
243.20929	1.0
257.18637	0.8
259.20282	0.7
261.22131	4.7
275.20090	1.8
283.20670	0.8
299.23688	1.3
302.55539	0.7
317.24805	2.2
373.12592	0.7
433.30963	1.1
451.32101	1.6
525.35785	3.9
543.36871	95.6
544.37042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25099	0.8
57.38398	0.8
57.58178	0.8
61.76088	0.7
71.52706	1.4
82.05555	0.8
125.19253	0.9
145.00830	0.9
158.08696	0.8
160.01314	1.1
201.07964	0.9
218.05992	0.7
231.34612	0.8
232.03593	1.1
245.05092	2.1
295.81720	0.8
338.40524	0.9
363.06992	2.1
379.40860	0.8
381.07977	10.3
543.13269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3292
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
50.80783	0.2
55.05500	0.8
57.03429	0.4
58.83464	0.3
67.05517	1.6
69.07065	0.7
71.00690	0.3
71.01056	0.7
75.67705	0.3
79.05498	1.2
81.03402	0.8
81.07063	2.1
83.04997	0.3
83.08607	0.6
91.05482	1.2
93.07055	1.8
95.08614	1.5
96.94116	0.3
100.92594	0.2
105.07023	1.1
107.04940	0.3
107.08583	1.1
109.06548	0.3
109.10144	0.8
110.10481	0.3
117.07045	0.4
119.08571	0.9
121.10145	0.6
129.06987	0.3
131.08554	0.9
133.10120	0.8
135.11661	0.7
143.08527	0.4
145.10115	0.6
147.11691	0.4
149.09631	0.3
149.13303	0.3
159.11696	0.6
162.43715	0.3
163.11224	0.4
227.12796	0.6
245.09055	0.3
257.15103	0.4
275.20001	0.5
433.30737	0.4
451.32019	0.4
463.32104	1.6
479.31174	0.4
481.32990	2.3
489.29712	0.8
498.40421	0.3
507.30853	7.7
525.31842	22.7
526.32477	0.3
543.32861	100.0
544.33417	2.0
560.44995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01865	2.0
55.05506	1.1
57.03420	1.0
57.07063	1.3
63.10038	0.9
67.05502	2.9
68.99792	1.7
69.03434	2.2
69.07071	8.5
71.04978	0.9
79.05511	6.9
81.03419	1.4
81.07068	3.5
83.04990	1.2
85.02908	2.4
91.05478	1.7
93.03425	1.2
93.07054	3.2
95.04965	2.2
97.06541	33.3
100.29219	1.0
104.85461	1.4
105.07027	1.9
107.04961	5.9
107.08587	2.5
108.05291	1.6
109.10153	1.8
111.00824	1.3
111.04454	3.3
119.04964	1.3
119.08547	2.2
121.02874	1.1
121.10152	1.9
123.04437	33.2
131.04922	1.3
133.06464	1.2
139.03911	100.0
145.06448	1.2
145.10117	1.5
147.04416	3.6
161.05977	5.4
163.03914	10.0
177.53731	1.0
188.60855	1.1
201.08995	1.5
214.18092	3.0
217.08701	5.9
219.10168	54.9
229.46037	1.0
243.10078	1.6
255.06650	1.1
261.11279	3.6
269.08102	1.5
289.22800	1.1
325.10425	2.0
351.12299	2.8
369.13364	61.9
410.25464	6.3
542.29852	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.01863	0.7
55.05504	0.9
56.96558	0.8
60.41170	0.4
63.07328	0.4
65.03931	1.0
66.00005	0.4
67.05492	0.9
68.99807	1.0
69.03419	1.3
69.07047	0.4
72.28902	0.4
79.05487	1.1
81.03410	0.8
81.07043	1.3
83.04980	0.9
85.02897	0.8
91.05469	1.6
93.03406	0.5
93.07024	0.6
95.04983	0.8
95.08617	0.7
97.02855	0.7
97.06528	1.7
98.97595	0.6
103.05505	0.5
105.03411	2.5
105.07027	1.5
107.04966	2.0
107.08601	0.8
109.02890	0.9
111.00818	0.9
111.04436	3.3
117.03361	1.1
119.04955	0.7
121.02898	0.6
121.10140	0.9
122.09696	0.5
122.59763	0.5
123.04458	3.0
127.03906	1.4
131.04932	1.2
131.08598	0.5
133.10153	0.5
135.11742	0.7
137.05962	1.1
139.03906	100.0
143.08618	1.0
145.02837	2.1
145.06474	1.1
145.10117	0.8
146.06013	1.4
147.04416	5.0
147.11673	0.5
148.04771	1.0
149.06009	2.5
151.03912	1.3
153.05458	1.3
155.03427	1.0
157.06500	0.7
159.08076	0.5
160.05215	1.4
161.05966	3.2
163.03915	2.9
165.05534	1.0
171.08099	0.8
172.90317	0.4
173.06030	1.5
173.09644	0.6
174.05463	1.0
175.07579	1.9
177.05486	6.4
177.09219	0.4
179.03418	1.3
181.04942	0.5
183.08061	0.5
186.06792	0.5
187.07616	0.8
189.09094	3.9
191.10718	1.9
199.07480	0.6
201.05487	1.4
201.09096	5.2
203.10654	0.5
205.08607	0.8
215.10680	2.2
217.08548	1.2
219.10159	5.4
225.09119	1.7
231.10153	3.5
243.10114	3.1
267.09473	0.6
295.06046	1.7
297.07654	0.5
313.07047	2.5
319.15445	1.7
325.10733	1.8
351.12289	2.7
369.13397	4.3
542.22375	0.6
542.30542	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.7
51.02371	1.6
53.03947	7.5
54.47124	0.6
55.01865	2.6
55.05511	21.8
57.03424	2.9
57.07077	7.7
65.03934	4.6
67.05502	67.8
69.03429	2.0
69.07065	16.8
69.29984	2.9
69.30409	2.8
70.06590	4.2
71.04993	2.3
71.08631	3.2
72.08136	0.7
73.06533	1.1
77.03941	0.8
79.05490	82.5
81.03422	7.4
81.07053	58.4
83.04973	9.7
83.08612	9.0
85.06542	3.2
85.10187	0.9
88.07639	5.3
91.05478	57.4
93.07040	78.8
95.04963	19.1
95.08605	39.8
97.02888	0.9
97.06522	3.7
97.10176	4.4
98.14632	0.7
99.08075	1.0
102.09159	3.4
103.05486	2.0
103.09530	0.9
105.04520	3.4
105.07030	41.7
107.04953	5.9
107.08591	27.6
107.09305	1.4
109.06510	4.0
109.10152	11.2
111.08098	2.0
113.09641	0.7
115.05471	1.9
117.07008	10.5
119.08575	24.5
121.06515	1.8
121.10134	17.5
123.08057	4.5
123.11721	2.6
127.07515	1.1
128.06227	3.6
129.07001	11.0
130.07811	1.2
131.08575	9.3
133.06487	0.7
133.10130	12.7
135.08160	1.0
135.11687	9.0
141.07001	1.0
141.09090	0.7
143.08562	6.6
145.10117	11.9
147.08075	1.8
147.11682	29.2
149.13269	2.9
149.72028	0.6
155.08554	1.2
156.09326	0.8
157.10135	1.7
159.11700	5.1
161.09616	2.8
161.13255	13.3
161.14612	0.8
163.14856	1.2
169.10139	1.8
171.11694	22.5
173.13263	3.4
175.14822	1.4
177.12772	1.1
179.14268	1.0
183.11757	1.4
185.13309	1.2
187.14767	1.0
189.12753	7.4
191.14262	0.9
197.13342	1.4
199.14854	0.9
207.13797	22.8
207.15758	1.4
223.14786	0.8
225.14943	2.7
243.21167	1.4
256.26343	8.3
257.26642	4.2
261.22107	4.3
275.27740	1.0
281.17551	1.8
283.26395	1.8
284.26694	1.3
284.29489	1.5
311.29422	6.6
312.29794	6.8
361.21732	0.6
419.24945	0.7
424.48956	0.7
449.34152	2.4
503.14243	0.7
540.53528	5.8
541.38940	100.0
541.53357	27.4
542.39630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.05512	13.5
57.07074	4.0
64.69439	1.8
67.05180	2.6
67.05510	31.8
69.03427	3.5
69.07072	30.2
70.56348	1.7
70.58976	2.1
71.04980	8.4
71.45660	3.0
79.05500	17.5
81.03411	2.2
81.07063	100.0
83.04964	2.9
83.08621	11.5
85.02901	8.3
85.06558	13.5
91.05503	9.1
93.07053	32.6
95.04953	2.9
95.08614	61.0
97.06537	9.3
97.10170	6.3
99.08097	4.2
101.06005	3.3
105.07017	10.8
107.08604	35.9
109.06491	2.2
109.10163	48.3
111.08099	18.1
111.11728	3.4
111.95547	2.0
115.07588	3.3
117.06931	1.9
119.08572	8.2
120.08112	3.6
121.10163	20.8
123.08081	2.1
123.10839	3.8
123.11712	55.0
125.09621	8.0
127.11152	2.3
131.08646	2.1
133.10161	5.6
135.11717	18.8
137.13277	23.2
139.11206	2.3
141.12758	3.4
143.10675	2.6
145.10106	3.6
147.04417	2.2
147.11681	8.6
149.13264	19.6
151.11160	6.9
153.12737	8.1
155.14340	2.8
159.11664	3.7
161.13286	2.7
163.14833	5.8
165.12770	4.5
167.14381	3.9
169.12254	6.8
171.13789	5.8
173.13312	3.4
175.14879	2.4
187.13301	6.3
187.14790	2.2
189.14859	8.6
189.16454	2.2
191.17896	2.7
197.03853	1.8
206.50331	1.7
219.21005	2.1
233.19000	2.1
251.20038	4.5
255.19562	3.1
271.23999	2.5
277.25357	5.5
289.05255	5.5
289.25275	12.8
295.26337	12.5
307.26309	36.5
313.27328	8.9
317.06345	2.7
325.27380	36.5
331.28488	12.4
343.28427	7.5
361.29590	17.9
541.22479	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	4.4
58.19738	0.3
61.76497	0.4
71.53809	0.5
71.95261	1.4
82.88642	0.3
98.97588	73.3
116.98627	37.5
129.46243	0.4
134.99669	11.8
140.00214	0.9
153.00713	1.1
172.94339	3.1
176.93573	0.4
180.01872	0.4
190.95380	2.6
208.96532	0.9
214.95406	3.2
232.94342	0.6
232.96518	7.0
240.98802	0.9
250.97504	3.1
256.96439	18.4
258.99789	9.1
261.03027	0.6
272.94620	0.6
274.97528	100.0
275.98010	0.8
277.00836	9.3
283.00027	1.4
284.00299	0.5
284.99768	0.6
290.95840	0.6
292.98575	52.2
297.99258	3.0
298.97693	2.0
300.97964	0.4
301.01071	1.5
302.01422	0.5
303.01080	0.7
314.95578	0.7
316.00183	1.1
316.98837	2.6
317.98914	0.4
332.96777	1.1
374.97614	1.0
382.99686	0.4
398.97638	24.5
401.00888	2.5
414.95572	1.1
416.98718	48.5
417.99072	0.7
432.96783	0.8
434.99771	6.6
440.00342	2.9
440.98782	0.8
456.96579	1.5
498.97250	0.5
540.98846	22.1
541.99249	0.6
556.96759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.5
57.07054	3.4
58.96022	2.5
61.60952	2.7
67.05490	8.4
69.07056	9.7
69.90152	14.0
79.05468	5.1
81.07059	21.6
83.08598	4.6
93.07032	9.5
95.08621	29.3
102.09138	3.5
102.41206	2.5
105.07018	9.4
107.08607	13.1
109.10179	19.2
116.85358	2.9
119.08586	18.7
121.10149	11.5
123.11709	9.8
129.05496	4.7
131.08548	3.5
133.10118	12.0
135.08087	4.5
135.11723	5.1
137.13269	10.1
145.10120	8.9
147.11661	5.8
149.13174	2.7
157.10199	4.8
159.11694	4.3
161.13210	3.3
163.14729	4.2
173.13266	9.8
175.14905	5.8
179.10692	6.4
185.13139	3.5
187.14757	4.9
187.28629	2.6
189.07146	2.8
191.17957	6.4
196.59785	2.7
197.11707	4.1
211.13165	4.1
213.16507	3.5
231.17393	3.9
231.21056	7.4
243.21053	4.0
245.22627	3.8
247.16936	3.3
269.22623	2.9
271.24240	2.9
277.17874	11.5
303.19559	3.9
311.27029	3.9
317.21133	3.4
395.33167	3.1
415.45828	3.1
418.59677	3.0
423.32541	3.8
441.33640	100.0
459.34747	50.5
540.53015	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
55.01862	5.5
55.05515	18.5
57.03444	14.5
57.06794	2.9
57.07079	47.2
59.41048	2.6
67.05508	31.0
69.07073	18.3
70.98805	5.8
71.04996	4.3
71.08636	24.6
79.05502	28.4
81.03416	3.4
81.07067	31.5
83.04985	5.1
83.08630	16.2
85.10184	16.8
89.06042	4.0
91.05488	13.9
93.07052	35.3
94.10587	3.4
95.04988	9.6
95.08047	4.9
95.08619	51.2
97.02904	3.7
97.06569	3.0
97.10165	7.3
103.05457	3.1
105.07029	10.6
107.04948	10.0
107.08599	29.3
109.10161	10.0
111.04452	4.6
117.07017	11.0
119.08603	10.4
121.06540	6.0
121.10137	14.7
123.07980	3.1
123.11743	4.6
125.05984	4.7
129.06995	2.8
131.08585	5.6
133.10118	7.7
135.11693	39.1
145.10135	27.7
158.47639	2.5
163.11171	48.2
169.10239	5.5
181.12311	7.8
183.11761	6.3
207.11780	3.3
209.11804	4.9
227.12804	91.4
239.23730	7.2
283.15411	49.5
313.27380	100.0
447.32813	3.5
467.37448	5.1
521.38434	62.8
539.37854	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02945	0.5
62.26328	0.4
69.03418	1.5
70.06574	0.7
71.54793	0.5
72.08163	1.0
73.02914	0.7
75.26715	0.4
75.72607	0.4
75.77677	0.4
81.03398	0.8
81.75452	0.4
85.02898	4.6
85.12177	0.5
87.04456	0.5
91.05464	1.1
96.14424	0.4
97.02869	1.1
99.04460	0.5
107.04927	0.8
115.05450	1.0
119.04923	0.6
127.03918	1.1
128.06224	1.3
129.07014	7.2
131.04939	0.9
131.08577	7.6
133.06480	0.5
137.06003	3.6
141.06995	5.2
143.08621	0.7
144.05708	1.0
145.04939	1.5
145.06482	0.7
147.04460	2.3
147.05501	0.4
151.07503	0.7
154.04977	1.3
157.06497	5.7
158.07219	1.6
159.08054	5.8
160.05145	1.4
163.07614	0.7
169.06480	2.6
170.07249	1.3
173.06068	0.6
173.09813	0.5
174.06764	14.1
175.07573	2.2
186.06752	3.3
188.08333	0.9
189.09119	26.2
191.10698	1.9
201.09102	10.8
207.10196	0.8
219.10173	100.0
220.10532	0.7
237.11211	0.6
344.51764	0.5
445.39380	0.5
538.92578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	3.8
55.01859	3.6
55.05507	22.9
57.07070	11.8
60.37027	3.7
61.88534	3.3
67.05517	28.3
69.03426	8.9
69.07072	39.9
69.29191	18.3
69.29618	13.2
71.04970	4.1
71.08615	9.7
73.02907	4.0
79.05500	19.3
81.03425	4.5
81.07056	62.9
83.04968	15.6
83.08633	17.8
84.01991	3.4
85.02914	9.0
85.06525	7.3
87.04436	5.6
88.07613	5.0
91.05492	17.6
93.07050	38.8
94.80424	3.3
95.04966	6.8
95.08611	85.1
95.09168	2.9
97.10171	11.8
98.20792	8.0
101.06016	55.2
105.07043	18.4
107.08598	46.4
109.02854	5.2
109.06525	5.6
109.09466	6.5
109.10167	61.7
111.04447	5.2
111.08078	7.6
111.11720	25.5
112.44821	3.9
117.07034	5.1
119.08572	35.4
121.10150	48.5
123.11708	27.2
125.13258	3.9
127.03916	3.8
129.05484	83.1
131.08546	10.5
133.06494	4.4
133.10121	32.4
135.11694	27.2
137.09621	7.2
137.13242	16.4
145.10152	17.9
147.11713	17.4
147.65767	3.6
149.13240	28.0
151.07599	6.9
151.14905	3.8
153.12740	7.3
157.10107	5.4
159.11624	18.8
161.13252	16.0
163.11238	5.0
163.14816	24.4
165.09122	7.2
165.16368	11.9
167.07024	4.0
173.13194	14.4
175.14822	9.2
177.16350	13.4
183.10130	7.6
187.14818	16.0
189.16370	24.5
191.00032	4.7
191.17978	9.8
195.10147	6.1
197.11736	5.3
201.16458	7.0
203.17943	15.2
213.16289	4.6
215.17914	6.0
217.19548	13.6
219.21318	4.2
227.17973	5.2
231.21075	24.5
239.23711	3.6
240.23955	8.5
245.22615	6.5
249.14835	5.4
256.26355	10.0
257.22739	10.7
259.24194	34.4
265.17859	10.6
277.17950	24.4
289.17996	6.6
295.19064	14.1
297.25775	11.9
307.19177	5.5
314.27917	3.9
331.22690	5.0
395.33023	7.5
413.34006	15.0
429.33624	89.6
441.27917	6.4
441.33652	100.0
443.35205	6.8
459.34711	98.0
475.34027	6.1
477.35468	9.4
487.33957	5.7
505.34933	10.2
540.30670	19.5
540.39807	7.3
540.53473	18.4
541.34955	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	539.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.05515	13.3
57.03419	2.1
57.07069	4.9
67.05506	35.0
69.03423	6.6
69.07073	27.1
69.43784	5.1
69.44202	9.0
71.04976	8.3
76.85789	1.8
79.05499	19.7
81.03403	2.1
81.07059	100.0
83.04987	9.6
83.08615	9.7
85.02890	6.9
85.06544	9.9
91.05453	10.1
91.10493	1.6
93.07050	35.5
95.04978	12.6
95.08614	45.9
97.06521	7.4
97.10146	4.2
99.08108	3.8
101.06005	4.4
103.05475	1.9
105.07041	14.5
107.04929	2.6
107.07880	2.5
107.08601	32.1
109.02921	2.0
109.06529	11.6
109.10157	61.8
110.06020	2.2
111.08081	6.7
111.11742	3.4
113.05927	1.7
119.08612	11.7
121.06454	2.5
121.10152	25.0
123.04488	2.0
123.08102	2.0
123.10841	3.5
123.11711	57.1
125.09613	6.3
127.03909	2.1
131.04866	2.2
131.08548	2.8
133.10112	12.7
135.11691	20.2
137.05951	15.9
137.09587	4.6
137.13231	8.9
139.11131	4.3
143.10704	4.0
145.10132	6.9
147.04404	3.1
147.11688	12.6
149.13254	8.1
151.03831	2.4
151.11177	13.3
153.12764	6.5
154.02145	2.4
159.11711	7.0
161.13255	4.3
163.07530	2.8
163.14755	5.2
165.12753	5.5
169.12222	4.4
171.13806	2.8
175.14818	2.6
177.16393	3.1
181.16026	2.3
183.13937	2.6
184.91435	2.1
185.11700	2.5
185.13248	1.9
187.13200	5.3
187.14761	3.8
189.14827	9.9
253.17937	4.6
257.22287	2.1
269.22708	2.3
275.23798	5.0
287.05551	20.2
287.23715	4.2
288.05853	30.4
289.06064	58.6
290.06323	31.4
291.06589	20.6
293.24677	15.0
305.24707	16.0
311.25723	11.7
323.25809	32.9
329.26791	3.4
341.26718	11.3
353.95993	1.8
359.27878	5.3
377.28485	2.3
417.24857	2.2
453.11993	2.3
539.17828	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	539.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01854	2.5
55.05518	17.0
57.03438	3.1
57.07068	4.7
59.04990	3.0
61.02907	2.4
62.08585	2.7
67.05511	31.5
69.03416	8.7
69.07075	28.5
69.46584	7.6
69.47009	9.2
70.06572	4.1
71.05005	13.7
72.55871	2.2
79.05494	17.3
81.03418	3.6
81.07059	100.0
81.68094	2.3
83.04973	9.7
83.08614	8.4
85.02905	5.0
85.06532	11.9
87.51089	3.0
91.05470	11.5
93.07051	30.7
95.04978	11.7
95.08610	47.8
97.02884	5.1
97.06530	10.0
97.10180	4.9
99.08074	4.8
101.06006	5.0
103.47256	2.3
105.07066	17.9
107.08600	31.7
108.92409	2.1
109.02907	3.6
109.06543	16.0
109.09002	2.7
109.10169	59.1
110.38080	2.1
111.08058	10.3
113.06020	3.0
115.07536	3.6
119.08585	14.3
121.06501	3.3
121.09425	2.9
121.10150	27.3
123.11710	67.5
125.09628	6.6
127.03868	2.6
131.08612	5.0
133.10159	12.7
135.07976	2.1
135.11740	16.1
135.86055	2.1
137.05989	21.6
137.09608	3.4
137.13307	12.1
138.05310	2.2
138.06364	5.3
139.11194	4.7
143.10675	5.3
145.10120	3.6
147.04350	3.9
147.11665	14.4
149.13246	7.2
151.03871	3.2
151.11191	21.5
153.12791	11.4
159.11662	8.0
161.13272	5.8
163.14772	4.7
165.12766	5.1
167.10707	2.8
169.12297	5.3
171.11577	2.7
171.13835	3.1
173.13208	4.1
175.07576	6.7
177.12802	2.9
180.75471	2.5
187.13242	3.8
187.14851	2.6
189.14842	10.2
196.19621	2.2
199.14970	3.5
245.65799	2.7
253.17993	7.1
267.19440	2.8
275.23697	2.8
287.05508	18.4
287.23712	8.5
288.05753	28.5
289.06088	46.7
290.06372	26.0
291.06641	20.5
293.24771	19.8
305.24829	25.9
311.25772	9.2
323.25775	37.0
329.27090	3.4
341.26794	10.7
354.16101	3.8
359.27914	5.5
409.09723	2.3
410.06323	3.0
506.39212	2.5
539.18396	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	539.2852
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
50.19897	1.5
53.03938	4.4
55.05497	2.6
56.96570	10.1
65.03938	3.4
67.05492	6.8
69.03416	5.1
69.07063	3.1
71.05008	8.0
71.05322	2.0
71.54633	1.7
74.50581	1.5
79.05502	9.7
81.03394	6.6
81.07061	32.9
81.40803	1.5
83.08629	1.8
84.96054	8.2
85.02882	5.4
87.63102	1.7
91.05479	8.6
93.07047	13.9
95.04974	11.3
95.08587	10.4
97.02898	4.8
98.97546	3.0
99.08067	2.2
102.93365	2.1
105.03381	28.6
105.04501	2.3
105.07021	13.1
107.04954	10.4
107.08608	15.3
109.02873	2.4
109.06477	3.1
109.10166	9.7
111.08053	2.0
114.54665	1.5
117.07027	1.9
119.04901	2.3
119.08572	12.2
121.02876	100.0
121.10120	5.7
123.04437	2.5
123.11674	5.1
125.09633	3.1
127.03915	3.9
127.11168	6.4
131.04893	2.6
131.08539	2.1
133.06506	1.6
133.10123	12.8
135.08037	7.7
135.10713	2.2
135.11693	30.5
137.05965	3.6
139.03900	18.0
143.10651	7.5
147.04364	5.1
147.11623	4.5
148.04829	1.8
151.07426	2.1
153.12820	2.2
158.99628	1.8
161.09584	2.1
161.13284	2.4
163.07588	3.6
168.45337	1.7
170.99672	5.0
177.05499	2.8
179.00175	7.6
189.00815	3.0
197.01239	27.1
199.11073	1.9
203.17950	13.4
215.02310	9.0
219.01714	2.3
220.02809	2.1
221.19025	16.3
258.96619	1.6
263.02283	3.5
265.03894	2.7
265.06982	3.3
267.08636	2.3
269.10233	1.5
283.08167	21.2
303.01587	1.7
305.03293	3.3
321.02795	8.6
323.04327	5.5
369.92560	1.6
377.22751	4.6
411.07501	2.0
429.08536	5.1
466.64807	4.9
539.28705	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
57.07076	1.0
67.05518	2.4
69.07075	0.8
70.70715	0.5
70.71044	0.8
71.08632	1.0
79.05504	1.2
81.07047	2.4
83.08604	1.6
90.54673	0.4
90.61870	0.4
91.05473	1.5
93.07037	0.9
95.08607	2.7
97.10191	0.5
105.07044	0.8
107.08603	0.9
109.06613	0.4
109.10162	1.2
111.04438	1.1
121.10143	0.6
123.11664	0.5
124.52038	0.4
130.19118	0.4
133.10129	0.4
156.74979	0.4
181.09412	0.4
185.04202	0.5
193.90248	0.5
209.11720	3.1
227.12953	0.6
251.20140	1.3
269.21121	0.7
283.15463	1.4
313.27448	0.6
356.12811	0.4
521.38019	0.7
539.31927	100.0
540.32361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87077	0.2
53.03966	0.3
55.05499	0.7
57.03444	0.3
57.07070	0.5
63.13705	0.2
67.05518	1.3
69.07048	0.7
70.24520	0.2
70.24851	1.0
71.08597	0.3
79.05496	1.2
81.07059	1.7
83.08613	0.4
86.09673	0.3
91.05473	0.9
93.07042	1.0
95.08610	1.2
104.10707	0.3
105.07021	0.9
107.08597	0.4
109.10168	0.5
119.08558	0.4
121.10160	0.4
127.75586	0.2
129.07028	0.4
131.08597	0.4
133.10144	0.3
135.11725	0.3
141.07059	0.3
142.52919	0.2
143.08545	0.4
145.10129	0.6
155.08585	0.5
159.11690	0.3
167.08585	0.3
169.10127	0.3
171.11687	0.4
174.73093	0.2
181.10124	0.3
185.04260	0.3
195.11664	0.4
203.05295	0.8
209.11705	0.4
227.12663	0.3
235.15012	0.2
259.07904	0.5
321.22699	0.6
339.58496	0.2
355.26669	0.3
447.32773	0.5
465.33432	0.4
521.36755	0.7
539.31873	100.0
540.32379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19897	1.5
53.03938	4.4
55.05497	2.6
56.96570	10.1
65.03938	3.4
67.05492	6.8
69.03416	5.1
69.07063	3.1
71.05008	8.0
71.05322	2.0
71.54633	1.7
74.50581	1.5
79.05502	9.7
81.03394	6.6
81.07061	32.9
81.40803	1.5
83.08629	1.8
84.96054	8.2
85.02882	5.4
87.63102	1.7
91.05479	8.6
93.07047	13.9
95.04974	11.3
95.08587	10.4
97.02898	4.8
98.97546	3.0
99.08067	2.2
102.93365	2.1
105.03381	28.6
105.04501	2.3
105.07021	13.1
107.04954	10.4
107.08608	15.3
109.02873	2.4
109.06477	3.1
109.10166	9.7
111.08053	2.0
114.54665	1.5
117.07027	1.9
119.04901	2.3
119.08572	12.2
121.02876	100.0
121.10120	5.7
123.04437	2.5
123.11674	5.1
125.09633	3.1
127.03915	3.9
127.11168	6.4
131.04893	2.6
131.08539	2.1
133.06506	1.6
133.10123	12.8
135.08037	7.7
135.10713	2.2
135.11693	30.5
137.05965	3.6
139.03900	18.0
143.10651	7.5
147.04364	5.1
147.11623	4.5
148.04829	1.8
151.07426	2.1
153.12820	2.2
158.99628	1.8
161.09584	2.1
161.13284	2.4
163.07588	3.6
168.45337	1.7
170.99672	5.0
177.05499	2.8
179.00175	7.6
189.00815	3.0
197.01239	27.1
199.11073	1.9
203.17950	13.4
215.02310	9.0
219.01714	2.3
220.02809	2.1
221.19025	16.3
258.96619	1.6
263.02283	3.5
265.03894	2.7
265.06982	3.3
267.08636	2.3
269.10233	1.5
283.08167	21.2
303.01587	1.7
305.03293	3.3
321.02795	8.6
323.04327	5.5
369.92560	1.6
377.22751	4.6
411.07501	2.0
429.08536	5.1
466.64807	4.9
539.28705	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64948	0.7
52.83827	0.7
53.03942	1.0
55.05518	4.8
56.34549	0.8
57.07059	1.0
67.05502	7.7
69.03410	0.8
69.07073	8.0
69.76737	4.8
71.04999	1.0
77.03922	0.9
79.05496	4.7
81.07067	13.2
83.04981	2.3
83.08617	2.6
85.06580	2.1
89.71173	0.8
91.05480	4.7
93.07050	11.5
95.04981	1.6
95.08073	0.8
95.08612	22.9
97.06527	0.9
97.10191	1.5
99.08077	1.0
101.06055	4.3
105.07039	6.9
107.08604	19.7
109.10164	20.9
111.08093	2.6
111.11732	3.2
113.06058	1.0
117.06999	1.1
119.08586	12.8
121.10153	26.2
123.08078	1.1
123.11724	10.6
125.09653	1.5
129.05475	6.4
131.00154	1.5
131.08586	3.8
133.10144	11.5
135.11731	12.4
137.09641	1.7
137.13257	3.5
139.11240	1.8
143.08565	1.7
145.10132	5.5
147.08061	1.3
147.11703	8.2
149.09705	1.1
149.13275	6.0
153.12703	1.6
157.10185	3.2
159.11716	6.8
161.13272	10.4
163.14819	9.9
165.09109	0.9
169.08672	1.4
171.10258	2.0
171.11705	3.9
173.13278	6.7
175.14861	8.0
177.16373	1.5
179.10680	1.1
183.10155	3.0
183.11691	1.8
185.13263	2.6
187.14835	10.9
189.16399	4.2
193.12173	1.1
197.13359	1.1
199.14783	2.1
201.11226	1.1
201.16364	5.0
203.17992	2.6
204.03008	0.8
211.14963	1.5
213.16325	5.5
215.14430	1.2
215.17978	3.1
227.17963	3.7
229.19604	4.8
231.21080	1.6
239.17938	1.1
241.19525	1.8
243.21167	3.1
245.22766	1.5
253.19502	1.5
255.21117	3.8
257.22668	14.2
259.24332	3.0
269.22678	2.8
271.24219	2.6
275.23709	1.1
281.22641	1.7
283.24185	2.6
287.20114	1.0
289.21658	1.1
295.24155	1.1
297.25858	5.4
299.19852	1.3
301.21661	5.0
302.20715	1.1
303.19952	1.2
303.23193	8.0
315.23111	1.3
319.22729	1.3
333.24280	2.5
339.30688	0.9
345.24225	2.7
357.24200	1.1
365.32004	2.1
369.28070	1.0
377.32178	1.8
383.29233	2.0
383.33707	1.0
393.31909	1.0
395.29425	3.6
409.31082	3.5
413.30502	3.2
421.30988	2.7
427.32150	12.2
429.33649	9.5
437.30643	1.1
439.32117	9.3
441.33679	12.6
455.31598	2.6
457.33289	7.6
459.34247	1.1
467.31775	4.4
473.32648	64.8
485.32645	14.3
491.33856	1.1
503.33740	23.4
521.34821	2.5
528.80499	1.5
537.81140	1.9
538.30670	100.0
538.37378	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	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03443	1.7
60.81860	1.0
64.25029	1.1
67.05531	1.1
69.03416	5.4
69.07075	1.5
70.06575	1.1
71.05513	1.9
72.17664	1.3
72.63023	1.1
77.85588	1.0
79.05485	1.7
79.31793	0.9
81.03420	1.9
81.07053	2.5
85.02906	12.4
86.09715	1.2
87.04499	1.2
91.05480	4.2
93.07062	2.2
94.04197	2.3
97.02901	5.0
98.97579	1.6
103.05473	9.1
105.07052	6.1
107.04961	2.5
107.08586	1.0
109.02843	1.5
109.06557	1.9
109.10208	1.7
115.05451	2.2
117.07031	1.9
119.04997	1.5
119.08556	6.0
121.05342	1.0
121.06503	2.0
122.03638	6.2
127.03923	2.6
128.06181	2.9
129.07014	3.3
131.04924	14.9
132.05713	4.7
133.06508	3.7
135.04402	1.1
137.05983	100.0
138.06335	2.7
145.04965	2.2
145.06532	1.5
147.04422	2.3
147.08038	6.6
149.06000	1.3
157.06436	1.4
159.08075	1.9
160.05203	4.4
161.05995	10.1
163.07536	24.7
166.08688	2.0
167.07216	1.2
169.06505	1.3
172.03969	1.3
175.07555	76.6
177.05437	1.2
187.07562	7.6
189.09140	1.3
190.07800	1.3
191.08566	4.3
193.08618	5.5
199.07545	6.5
201.09151	2.5
202.07735	1.6
203.08655	2.2
205.08469	1.2
209.45473	1.3
218.07339	1.3
219.08086	7.5
220.08832	1.7
231.08061	3.0
235.07588	1.7
247.07558	3.2
248.08307	2.8
251.10640	10.4
259.07468	3.4
263.10672	1.2
264.07901	1.8
276.07898	1.4
279.10175	9.0
287.05362	5.8
288.05856	8.8
289.06049	5.9
290.06360	6.6
291.10153	5.6
311.12793	27.2
323.12790	18.1
324.41034	1.2
325.14371	5.2
341.13889	3.3
391.15518	1.2
506.18982	2.5
538.11920	1.2
540.26154	1.3
554.11261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
61.02911	1.6
67.05489	1.2
69.03423	3.9
69.40421	1.2
70.06580	1.5
71.07722	2.5
72.46896	1.2
73.02911	1.1
76.27029	1.1
79.05482	1.6
79.63042	1.2
81.03396	1.8
81.07045	3.4
85.02901	11.1
86.09703	1.9
87.19249	1.3
91.05476	5.6
93.07030	1.4
93.15267	1.2
94.04152	1.6
95.04958	1.3
97.02896	3.4
98.20862	1.4
103.05471	8.3
105.07006	4.8
107.04942	2.9
107.08598	1.2
109.02856	2.4
115.05459	2.2
117.07037	2.5
119.04925	1.3
119.08614	6.3
121.06496	2.3
122.03643	5.3
127.03894	3.4
128.06212	1.6
129.06990	2.7
131.04927	15.4
132.05753	3.1
133.06483	3.6
137.05984	100.0
138.06303	2.9
145.04970	2.8
145.06461	1.7
147.04439	3.4
147.08057	5.2
149.05957	1.8
160.05182	3.3
161.05995	8.9
163.07553	24.6
166.08513	1.4
167.06993	1.4
175.07552	76.1
184.05252	1.2
187.07590	7.3
190.07823	1.3
191.08539	4.0
193.08606	4.4
199.07516	4.8
202.07964	1.3
203.08597	3.8
205.08559	2.1
219.08093	4.6
231.08067	4.5
233.99548	1.2
247.07492	4.1
248.08316	2.0
251.10687	7.9
259.07553	2.1
260.08188	1.4
263.10770	1.7
277.08621	1.7
279.10147	7.9
287.05447	5.5
288.05872	10.8
289.06021	8.1
290.06357	8.5
291.10214	6.8
292.10974	1.5
311.12750	29.4
323.12820	16.7
325.14566	5.6
341.13803	4.2
371.17023	1.5
371.67334	1.7
392.26511	1.2
503.19568	1.8
506.18964	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
55.75277	1.1
69.03416	4.3
69.90388	2.1
69.90798	4.9
71.05000	1.3
74.95121	1.0
79.05509	2.3
81.03418	2.5
81.07046	4.7
85.02913	11.9
91.05509	6.5
93.07038	3.7
94.04173	2.2
95.04978	2.2
95.08602	1.8
96.62230	1.1
97.02879	4.7
98.97601	1.6
100.88895	1.2
103.05468	8.1
105.07035	5.4
107.04967	2.3
107.08555	1.9
109.02855	1.5
109.06548	1.2
109.10164	2.4
115.05452	3.0
117.07045	2.0
118.49993	1.1
119.04932	1.5
119.08578	4.5
121.10081	2.5
122.03648	4.8
122.10483	1.3
123.11585	1.1
127.03924	2.0
129.06963	2.1
131.04929	12.7
132.05734	3.3
133.06502	3.4
137.05983	100.0
138.05432	2.0
138.06354	3.2
141.06995	1.7
144.05452	1.4
145.04927	1.8
145.06441	1.2
147.04433	2.6
147.08052	5.8
149.06013	2.0
159.08047	1.5
160.05199	3.8
161.05969	11.3
163.07559	25.7
169.06520	2.6
175.07550	65.1
175.24475	1.0
182.51431	1.1
187.07578	6.4
189.09093	1.8
190.07848	1.3
191.08556	5.2
199.07562	4.0
201.09090	2.8
202.07722	1.4
203.08589	3.3
205.08554	1.3
218.07106	1.5
219.08115	6.9
220.08902	1.5
231.08078	3.6
247.07547	5.4
251.10681	12.1
259.07547	2.3
261.09097	1.7
262.09866	1.4
263.10684	1.9
276.07809	1.2
278.09286	1.5
279.10132	11.8
281.08127	1.4
287.05490	2.3
288.05777	3.5
289.06073	2.5
290.06442	3.1
291.09976	6.4
293.11639	2.7
311.12814	34.4
323.12732	14.3
325.14349	8.9
341.13809	3.1
514.35162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.3
58.31565	1.5
67.05495	6.1
69.07074	6.0
70.04295	7.1
79.05504	4.3
81.07068	16.5
83.04993	2.6
83.08611	3.3
83.81768	1.7
85.06542	2.1
88.79642	1.6
91.05467	4.0
93.07046	10.9
95.08609	22.0
96.08167	1.6
98.97578	4.1
99.08089	2.4
101.06025	12.7
102.90848	1.8
105.07048	7.5
107.08590	9.7
109.10148	8.8
111.08090	2.4
112.99138	2.9
119.08589	7.4
121.10131	14.6
123.11717	11.9
129.05508	18.1
131.08571	6.5
133.10139	13.2
135.11688	11.2
137.13249	2.7
139.11145	1.8
143.08643	1.7
145.10144	6.4
147.11679	6.0
149.09656	1.9
149.13260	4.5
157.10164	5.6
158.99609	3.2
159.11691	9.1
161.13341	4.8
171.11673	7.6
173.13254	8.0
175.14777	2.2
176.09006	2.0
183.11700	1.9
185.11757	2.8
185.13300	4.1
187.14746	8.6
199.14786	4.1
201.16396	4.3
211.14758	1.6
213.16310	3.2
215.18044	2.1
219.90523	1.8
225.16441	2.3
227.17967	4.1
229.19484	9.2
231.21268	2.0
239.17903	2.0
241.19577	4.7
243.21140	2.0
255.21071	3.4
257.22681	15.2
277.13901	1.9
281.22626	2.1
283.24261	3.1
295.24289	7.5
297.25775	2.9
301.21622	4.2
311.27469	2.4
313.28937	6.5
317.18057	2.1
318.18460	3.5
323.27484	1.7
345.23792	1.9
357.27908	10.4
359.25903	5.1
364.42728	1.8
403.24826	3.0
421.31049	5.5
431.06860	1.6
439.32123	26.3
441.33646	40.2
449.30264	2.9
457.33145	4.5
467.31625	2.3
485.32632	70.3
503.33975	8.2
509.99625	1.6
519.80200	3.9
528.80908	1.9
529.30524	2.8
538.30701	100.0
543.79816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.2
65.03933	4.4
69.03412	1.7
69.85313	4.6
76.02229	1.1
79.05475	1.0
81.03397	2.1
81.07066	1.3
85.02940	4.2
91.05476	1.8
92.05009	2.4
93.05763	1.0
93.07032	1.9
94.06570	1.8
95.07349	0.9
96.08133	3.2
97.02893	1.1
98.20590	1.0
104.74174	0.8
108.08112	6.8
109.10130	2.1
110.09682	5.7
116.04974	2.0
120.04456	4.3
120.08125	4.5
122.06062	5.3
124.07642	2.0
129.06999	0.9
133.80713	0.9
136.07578	5.2
137.05968	2.8
138.09137	6.3
144.04469	9.5
145.05038	1.0
148.03935	97.0
148.07574	2.4
151.03886	3.3
154.08679	1.7
162.05550	7.3
166.05008	13.5
166.08644	19.5
172.03940	44.6
190.05011	11.1
194.08115	1.1
204.06567	100.0
212.09488	1.0
222.07695	1.7
227.11801	2.3
255.08727	1.2
255.11311	14.9
273.12299	16.1
283.07861	1.7
283.10785	15.6
301.11844	71.2
308.08856	1.1
309.09283	1.2
319.12653	3.0
325.11972	2.1
329.14908	1.5
339.13284	2.0
343.12900	57.8
353.76593	1.1
357.14438	23.9
375.15378	6.1
399.32727	1.0
501.18484	1.6
537.15466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2676
Annotation	Asn Glu Phe Lys
Peak:m/z	Relative Intensity
53.03952	0.5
55.05519	1.2
57.03445	0.6
59.04399	0.4
67.03770	0.4
67.05515	1.0
69.03424	1.3
69.07069	1.1
69.41023	2.4
69.41451	1.0
71.04988	0.9
73.04768	0.5
79.05510	1.7
81.03423	1.4
81.07072	2.7
85.02921	1.8
85.06580	0.8
85.16767	0.4
88.82564	0.4
89.62798	0.4
91.05483	2.3
92.45820	0.4
93.07061	1.8
95.05003	1.0
95.08627	1.7
97.02932	0.7
97.06547	0.9
97.10196	1.0
98.20721	0.4
98.97599	0.7
99.04468	0.4
103.05512	0.6
105.03413	2.0
105.07034	2.3
107.04961	2.5
107.08625	2.2
109.02922	0.8
109.06538	1.2
109.10175	1.6
111.04376	0.4
111.08098	0.6
117.03410	0.8
119.04968	1.6
119.08543	1.0
121.02895	0.6
121.10172	1.2
123.04472	0.5
123.08087	0.5
123.11765	0.6
127.03925	0.8
131.04973	1.8
131.08553	0.6
133.06584	0.6
133.10167	1.2
134.98665	0.4
135.04474	0.4
135.11719	1.2
137.05984	6.1
137.13234	0.4
145.02875	1.5
145.05028	0.4
145.06516	0.5
145.10188	0.5
147.04408	4.4
147.11717	0.8
148.04745	0.5
149.06079	0.6
149.09676	0.7
149.13359	0.8
151.03954	0.7
151.07710	0.4
151.11139	0.9
157.10124	0.5
159.11752	0.6
161.06052	0.8
161.09674	0.8
163.04059	0.9
163.07690	0.6
163.11243	1.5
164.11514	0.5
165.05591	0.7
167.07088	1.1
175.07529	0.7
177.05487	3.0
178.05923	0.9
179.07071	1.4
179.10709	1.1
191.10548	0.9
193.08728	0.6
197.10014	0.6
197.11713	3.4
204.96774	0.4
209.08032	0.6
209.15247	0.4
234.45047	0.4
265.08600	0.5
287.05658	1.5
288.05954	1.3
289.06030	1.9
297.11435	0.5
307.11237	0.5
321.24261	0.6
322.24884	0.5
367.13651	0.6
369.15240	22.1
466.28922	0.6
475.23257	1.0
537.26868	100.0
538.27429	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	537.3425
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
53.03940	7.6
55.05504	21.8
56.96556	8.9
57.07061	7.1
67.05508	46.5
68.62842	4.7
69.03410	6.4
69.07072	30.7
71.56842	9.3
79.05489	37.8
81.07061	83.4
83.04955	12.9
83.08607	16.0
84.00677	4.5
84.08132	29.5
84.88632	5.4
85.02901	5.5
85.06554	7.6
87.04443	6.1
91.05451	28.7
93.07038	54.0
95.04982	7.2
95.08614	100.0
97.10152	14.3
99.08069	9.6
101.05958	12.4
105.07042	46.5
107.08600	81.3
109.10173	84.5
109.10883	4.2
111.11722	6.4
113.06049	8.8
115.07554	5.9
117.07027	10.4
119.08594	61.6
121.10149	64.5
123.11720	56.9
129.05475	17.5
129.06960	8.6
131.08551	29.4
133.10139	70.3
135.08006	6.5
135.11693	53.3
137.09598	6.7
137.13261	11.0
141.05573	6.4
143.07028	12.4
143.08537	16.9
145.10155	38.9
147.08104	13.4
147.11688	40.7
149.13301	26.4
155.08464	8.3
157.10112	29.9
158.10857	6.8
159.08160	7.2
159.11685	42.7
161.09590	7.5
161.13260	16.1
165.09108	23.8
169.10133	14.7
171.11684	36.6
173.09657	7.7
173.13272	38.7
175.14754	8.4
177.09100	6.6
183.10168	21.7
183.11697	17.3
185.09697	5.8
185.13275	21.7
187.14859	42.3
197.13287	13.2
199.14798	23.2
201.16367	10.4
211.14841	8.8
213.16324	9.7
223.14914	8.8
225.16409	12.8
227.17972	10.7
229.19533	22.7
239.17911	6.2
241.19551	30.4
243.13914	6.7
243.17441	6.2
243.21115	20.3
253.19551	6.6
255.21118	27.5
257.22632	87.4
265.19473	6.0
281.22510	7.5
283.24228	9.4
285.10098	8.5
287.05679	7.2
289.05994	7.5
293.22586	9.3
295.24142	6.6
297.25995	6.1
301.17911	6.5
301.21631	16.9
343.22736	15.8
359.87338	5.6
363.30515	9.1
391.29926	6.2
393.27673	13.0
401.74689	6.2
407.29813	12.7
411.28778	7.4
419.29333	16.7
425.30606	52.2
427.32138	70.0
428.32465	6.7
437.30411	61.0
439.32086	98.2
440.32275	11.1
447.28778	16.3
455.31454	11.1
465.29947	21.9
471.31094	53.6
473.32346	9.3
483.31140	91.9
484.31381	9.4
501.32123	9.2
537.30719	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	537.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.96563	0.1
57.02893	0.1
57.07058	0.1
67.01866	0.5
67.05493	0.3
68.99497	0.1
68.99820	0.4
69.03416	0.3
69.07059	0.2
71.04987	0.1
75.70574	0.1
79.05479	0.4
81.03426	0.5
81.07056	0.5
83.08615	0.1
85.02895	0.4
91.05460	0.9
93.07043	0.5
95.04958	0.4
95.08604	0.4
97.02905	0.4
97.06514	0.2
98.97576	0.2
99.04433	0.3
105.03386	1.4
105.07035	0.5
107.04952	0.2
107.08598	0.4
109.02877	0.2
109.10149	0.3
111.08060	0.1
117.07016	0.1
119.04946	2.0
119.08591	0.1
121.02873	1.8
121.06529	0.2
121.10111	0.4
123.04424	0.6
123.11714	0.1
124.04754	0.2
124.39716	0.1
125.09596	0.2
127.03934	0.1
129.01863	0.2
131.04941	0.1
131.08578	0.1
133.10097	0.5
135.11723	0.1
137.05994	0.4
139.03903	0.2
141.06927	0.1
143.10663	0.2
145.02800	0.7
145.10103	0.2
147.04428	0.5
147.08070	0.2
147.11650	0.3
149.09578	0.1
149.13191	0.1
151.07568	0.2
152.04283	0.1
153.01826	4.6
163.03851	0.6
163.11111	0.1
164.04324	0.1
167.07022	0.3
167.14340	0.1
171.02892	0.5
173.06050	0.1
181.08533	0.1
187.03975	0.1
199.07442	0.2
203.07091	0.1
213.65439	0.1
219.17484	0.2
225.05455	0.2
229.05017	0.2
243.06567	0.3
247.06021	0.1
249.07599	0.2
267.08722	0.4
271.06006	100.0
272.06314	0.6
283.08215	0.2
285.10126	0.2
288.05771	0.1
289.05899	0.2
327.95352	0.1
348.14923	0.1
381.12802	0.2
426.69839	0.1
448.14868	0.2
519.29346	0.1
537.26520	1.5
561.89014	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51652	0.4
55.36479	0.4
56.05053	0.5
56.96566	0.4
57.03426	0.4
60.08166	6.0
61.02901	0.5
65.03976	0.4
65.04835	0.4
67.05495	1.2
69.07079	0.7
69.96727	1.8
71.07381	2.5
73.14068	0.4
81.03440	0.4
81.07047	1.8
83.40182	0.3
84.54180	0.4
85.02895	0.5
86.09711	29.4
91.05447	0.7
93.07037	1.0
95.08617	1.2
98.98466	2.4
104.10735	3.5
105.07045	0.8
107.08578	0.9
108.11726	0.4
109.10143	0.9
119.08587	0.5
121.02882	2.3
125.00011	18.4
134.56618	0.4
139.03938	0.5
145.10094	0.5
163.52162	0.4
167.05597	0.7
184.07353	100.0
201.16451	0.5
252.09122	0.4
283.08395	0.5
287.05533	3.4
288.05853	5.1
299.06131	0.6
310.78232	0.4
319.72531	0.4
401.86200	0.4
453.62622	0.4
500.30930	1.2
518.32483	7.4
536.30481	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	536.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.05513	8.4
56.84763	2.2
63.81753	2.1
64.92221	2.1
67.05508	10.1
69.07078	17.5
70.09109	7.7
70.09529	4.0
79.05502	5.4
81.07066	17.2
83.08617	4.9
85.06577	3.4
93.07062	15.8
95.08614	32.1
101.39079	2.2
105.07046	7.7
107.08600	27.0
109.10162	48.3
111.08062	4.7
111.11733	8.1
119.08594	13.3
121.10166	34.9
123.11729	21.2
128.91394	2.3
131.08536	3.1
132.86861	2.8
133.10150	16.0
135.08107	3.0
135.11719	13.6
137.13289	10.3
145.10149	6.4
147.11682	8.5
149.12189	2.1
149.13290	9.5
151.14868	2.4
157.10135	2.9
159.11726	7.7
161.13246	8.3
163.14821	28.4
165.09105	3.6
173.13319	9.1
175.14807	11.3
177.16409	16.3
178.54416	2.4
183.10197	10.4
183.11667	3.2
185.13304	3.5
187.14847	8.7
189.16463	5.3
189.23395	2.4
199.14888	5.9
201.16345	3.6
203.18045	4.8
208.37321	2.3
213.16415	5.4
214.22841	2.7
215.18013	3.5
225.16438	3.1
229.19592	5.8
231.21097	4.0
233.15414	3.9
251.16438	18.9
255.21298	3.6
257.22684	8.1
259.24310	2.6
263.16547	3.1
271.24280	8.0
277.17834	2.6
287.05450	11.7
288.05853	16.6
293.17514	3.1
299.06100	6.8
301.21729	2.8
303.23212	3.7
305.17740	2.9
315.23401	3.3
325.28964	10.8
345.20761	6.4
351.30536	7.5
367.26361	10.3
369.27908	9.6
395.29550	4.8
413.30606	13.7
415.32028	3.1
437.30679	4.8
455.31717	30.9
473.32666	10.3
483.30835	2.8
501.32159	100.0
519.25525	3.3
519.33252	78.4
536.35852	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01862	1.0
55.05504	1.3
56.96558	0.6
58.60423	0.5
66.53844	0.6
66.62316	0.5
67.05497	1.8
69.03426	2.8
69.03729	0.5
69.07051	1.0
70.06577	0.5
71.04959	0.6
71.54616	0.6
71.55029	0.7
72.22157	0.6
78.16852	0.6
79.05497	4.6
81.03407	2.3
81.07063	7.1
83.04995	0.6
84.08139	1.0
85.02907	4.5
85.06508	0.6
91.05447	2.9
93.06491	0.8
93.07048	10.7
93.75698	0.5
93.76511	0.4
95.04958	1.9
95.08590	2.1
97.02892	1.8
97.06516	1.2
97.10156	0.5
98.97580	0.8
99.04427	1.7
103.03938	5.3
105.03437	0.9
105.07027	4.1
107.04963	1.5
107.08586	4.2
109.02878	2.0
109.06506	3.7
109.10137	1.7
110.46323	0.5
117.03390	1.5
117.07016	2.2
119.04961	0.7
119.08593	6.9
121.02844	0.5
121.06519	1.3
121.09327	0.9
121.10149	12.3
123.08045	0.7
124.03963	0.7
127.03915	6.5
127.07578	2.6
129.07021	0.8
130.07761	1.9
131.04857	0.5
133.10051	0.9
135.08064	1.2
135.11673	1.4
137.06001	1.5
145.02856	4.4
145.04950	3.1
145.10126	17.1
147.04424	2.8
148.04745	1.3
149.06000	0.7
151.11143	0.5
153.01822	1.6
154.02209	0.7
163.06020	3.9
163.11180	100.0
164.11597	0.8
167.05519	0.6
177.05482	10.4
181.04951	0.8
193.12299	0.8
287.02283	0.7
287.05508	13.9
288.05829	22.5
289.09332	0.9
299.06201	0.7
303.04980	2.6
303.23154	0.7
304.05344	4.4
306.17050	0.5
307.10184	1.5
321.09442	0.7
321.24295	0.9
339.10907	0.9
371.93832	0.5
417.98193	0.5
500.17599	0.9
536.11169	0.9
536.20984	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4149
Annotation	Toxicol B
Peak:m/z	Relative Intensity
51.52534	0.7
53.03939	0.9
54.63093	0.6
55.05515	9.4
56.77743	0.6
57.03426	1.7
57.07061	1.6
61.33256	0.6
63.29818	0.7
65.03954	0.9
65.12385	0.7
67.05505	19.5
69.07067	9.8
70.97665	0.9
70.97986	1.0
75.06564	0.6
79.05497	8.6
81.07059	15.6
83.04951	0.9
83.08639	4.4
85.06557	1.5
91.05492	4.8
93.07054	8.4
95.08608	14.0
97.06524	0.9
97.10181	3.6
99.08109	0.9
105.07042	7.0
107.08611	6.5
109.10174	8.4
115.05397	0.8
117.06987	3.7
119.08585	6.5
121.10140	4.5
123.11708	2.5
125.09589	1.1
128.06229	1.1
129.07013	4.8
131.08578	5.7
133.10146	4.9
135.11703	2.1
135.20633	0.8
137.13196	1.3
141.07007	5.2
142.07803	1.5
143.08568	8.9
145.10132	6.0
147.11671	3.2
148.44569	0.7
149.13251	1.7
153.01895	1.4
153.07043	1.0
154.07774	1.9
155.08551	12.2
156.09364	1.4
157.10139	8.5
159.11693	6.1
161.13295	1.6
165.07013	1.7
167.08586	6.6
168.09341	2.3
169.10121	18.4
170.10966	0.7
171.11690	7.5
173.13316	2.3
174.50386	0.7
175.14847	1.3
178.07722	0.9
179.08659	2.0
180.09293	1.3
181.10110	10.0
182.10895	2.1
183.11679	16.7
185.13257	6.5
187.14842	2.8
191.08633	0.7
193.10164	3.5
195.11687	10.9
196.12434	1.1
197.13300	12.7
199.14832	3.1
205.10216	0.8
206.10979	0.8
207.11687	3.7
209.13277	11.8
210.14041	1.2
211.14848	7.6
213.16425	2.3
215.75119	0.8
221.13271	3.4
223.14856	10.3
225.16376	8.8
233.13315	0.9
235.14864	2.6
237.16348	5.2
239.18039	4.2
241.19421	0.9
247.14758	1.0
249.16418	2.9
251.17915	3.1
253.19475	3.9
261.16391	1.2
263.17801	1.4
265.19464	2.4
267.21085	2.1
277.19449	1.2
279.21060	1.3
281.22775	1.1
287.05490	31.1
288.06110	0.9
291.20880	0.9
293.22580	1.5
295.20715	1.0
295.23984	1.1
297.22186	0.9
303.21030	0.8
305.22598	1.6
307.20624	1.5
307.24063	0.9
309.22073	1.2
311.20126	1.4
319.24216	1.0
321.22174	2.9
323.23712	1.7
325.21732	0.9
325.25183	0.8
335.23795	3.2
337.25302	2.1
339.23163	2.2
349.25107	2.3
351.26920	2.1
353.24707	0.8
363.26630	1.5
365.28671	2.1
367.26416	1.2
377.28543	1.3
379.30194	1.7
381.27890	1.1
391.29999	2.1
393.31778	1.2
395.29630	1.6
409.31174	3.4
423.32468	2.0
433.30585	0.9
437.34366	0.9
447.32550	5.7
461.34009	2.1
475.35922	0.9
499.39377	7.8
517.40442	62.7
535.28699	2.5
535.41449	100.0
536.41809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66811	0.6
55.05513	0.9
56.96564	0.8
57.03443	1.2
60.08146	0.7
67.05502	2.1
69.03442	0.8
69.07066	1.3
69.69582	3.3
71.04967	0.8
79.05502	1.8
81.03424	2.3
81.07063	3.0
83.04971	0.9
83.08616	1.2
85.02909	2.0
86.09718	2.2
91.05477	2.1
93.07048	1.7
95.04954	0.8
95.08596	1.7
97.02870	1.2
97.06532	0.6
98.54686	0.6
104.10736	5.1
105.07056	2.4
105.11122	1.3
105.32067	0.6
107.04976	1.4
107.08618	1.5
109.10162	1.5
119.08598	1.7
121.02845	1.1
121.10177	1.4
121.30410	0.6
125.00014	1.1
131.08548	0.7
133.10097	1.2
135.04367	0.7
138.53152	0.6
147.04425	1.0
147.11755	1.1
153.01837	1.9
156.03587	0.6
163.11205	0.6
184.07387	4.6
185.07614	0.7
193.12221	0.7
203.95183	0.7
251.12607	4.5
269.12390	2.9
287.05515	54.5
288.06119	1.0
307.15109	3.4
369.15298	1.9
449.10672	0.7
499.30249	0.7
517.31409	3.3
535.11328	2.2
535.28833	100.0
536.29004	0.8
554.22137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3269
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
55.05505	9.5
57.07079	4.7
67.03297	2.0
67.05501	10.1
69.07069	22.2
70.26572	7.0
79.05494	10.6
81.07066	28.4
83.05003	2.8
83.08601	5.7
85.06542	4.7
91.05479	9.1
92.29538	2.0
93.07050	17.0
95.08614	38.2
97.06515	2.7
97.10191	4.6
99.08083	3.5
101.06039	3.7
105.07040	15.5
107.08593	19.7
109.06572	3.4
109.09480	2.7
109.10165	30.4
111.11713	5.4
117.06998	3.5
119.08570	14.3
121.10146	34.0
122.55718	2.5
123.08086	4.2
123.11701	19.6
127.07539	2.8
129.05524	2.5
131.08557	7.5
133.10138	24.5
135.08043	3.3
135.11678	13.8
136.34698	2.0
137.13272	6.4
143.08577	5.9
143.48599	2.0
145.10104	14.1
147.08066	2.4
147.11664	12.7
149.09598	2.1
149.13280	8.8
155.07076	5.5
157.10097	8.2
159.11694	14.7
161.13225	4.5
163.14865	3.8
169.08694	3.6
169.10136	4.1
171.11681	6.2
173.13263	21.0
175.14842	6.6
183.11751	4.6
185.13283	6.8
187.14821	12.7
189.16461	4.9
197.13292	14.9
199.14853	10.7
201.16409	5.3
203.17917	5.5
211.14813	6.3
213.16400	7.5
223.14877	2.0
225.16414	2.9
227.17924	6.4
229.19540	7.4
239.17760	2.3
241.19444	5.3
243.21046	2.8
253.19476	4.4
255.21114	5.1
257.22601	9.8
269.22733	3.1
271.20630	2.3
275.16254	2.5
279.21069	2.7
281.22626	3.2
283.24207	4.2
285.22147	7.1
287.05496	48.7
287.16354	5.5
297.22070	3.0
301.21710	3.6
303.23505	2.0
305.70306	2.2
307.24469	2.3
331.22729	7.4
335.27255	5.2
337.28931	14.5
353.25006	3.0
361.29071	2.4
363.30310	5.1
379.29858	3.6
381.27731	56.5
381.31741	9.4
383.29779	4.0
389.28384	2.7
397.31158	9.0
407.29395	13.2
409.31064	10.5
425.24811	3.2
425.30551	66.3
427.31982	20.6
431.64459	2.0
435.28955	5.3
453.30072	25.4
463.26578	2.5
471.31085	100.0
499.30841	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	535.2882
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
50.96196	0.2
54.73910	0.2
55.05513	0.3
57.03430	0.7
61.49287	0.2
67.05502	1.1
69.07071	0.3
70.70364	0.3
70.70702	0.5
79.05490	0.8
81.03410	1.5
81.07080	1.5
83.04992	0.6
83.08604	0.5
85.02912	1.7
86.09705	0.3
87.10096	0.2
91.05486	1.5
93.07064	0.9
95.04978	0.9
95.08606	0.5
105.07037	1.2
107.04963	0.3
107.08614	0.4
109.06466	0.3
111.08083	0.2
119.08591	1.1
121.10130	0.6
123.08089	0.2
125.00082	0.2
129.07101	0.3
131.08604	0.5
133.10152	0.6
147.04434	0.3
147.11693	0.9
149.09659	0.4
153.01816	0.3
157.10144	0.6
175.11168	0.4
184.07414	0.7
185.07703	0.3
193.12318	0.7
211.13272	0.4
251.12570	6.7
267.08710	0.2
269.12384	0.4
285.16968	0.4
287.05496	5.9
293.36462	0.3
307.15149	5.6
323.64175	0.2
535.28821	100.0
536.29181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03523	0.7
55.05502	1.7
55.98452	0.7
56.33807	0.8
56.96569	1.4
57.25543	0.7
67.05487	2.7
69.03426	1.6
69.07065	1.4
69.96130	3.2
73.02917	1.3
77.44823	0.8
79.05486	3.0
81.03412	2.9
81.07055	3.5
83.04951	0.9
83.08590	0.7
83.58053	0.8
85.02907	2.9
91.05470	2.5
93.07043	3.2
95.04976	2.5
95.08594	2.6
97.02888	1.9
105.07023	2.9
107.05015	0.8
107.08608	1.8
109.10120	1.7
111.08033	0.8
119.08589	1.9
121.10160	3.4
122.10500	0.8
133.10095	1.1
135.11662	1.2
145.10117	1.1
147.11763	1.1
149.13274	1.1
153.01843	2.2
157.10086	0.9
193.12271	1.6
207.42245	0.9
251.12558	12.1
267.09091	1.1
287.05508	52.3
307.15219	4.6
449.10779	1.0
535.11078	2.7
535.28796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.5
51.02378	0.9
53.03948	1.6
55.01861	0.6
55.05494	0.7
57.07081	0.5
65.03934	0.9
67.05510	2.6
68.99802	0.4
69.03419	1.3
69.07071	0.7
71.04996	0.6
71.55125	0.3
77.03934	1.5
79.05496	2.8
81.03425	1.8
81.07066	1.9
83.04988	1.4
83.08607	0.4
84.96043	0.3
85.02895	0.4
91.05470	2.3
93.07050	1.5
95.04974	3.1
95.08588	1.1
97.02937	0.5
97.06541	0.4
97.10168	0.3
98.97571	0.6
99.04475	0.4
103.05467	1.0
105.03389	3.5
105.04476	0.5
105.07008	1.4
106.03753	0.3
107.04961	28.7
107.08602	1.4
109.02879	1.8
109.06526	0.7
109.10178	1.1
111.04453	0.9
116.98599	0.3
117.03356	0.6
119.04944	3.9
119.08585	1.0
121.02849	0.7
121.06507	0.5
121.10153	0.9
123.04434	100.0
123.11686	0.7
124.04752	0.5
127.03928	1.1
129.07027	0.3
131.04918	2.3
131.08554	0.4
133.02843	0.3
133.10130	1.1
135.04414	1.1
135.08064	0.4
135.11702	0.6
137.02301	0.4
137.06000	1.5
139.03917	4.2
143.05043	0.3
143.10669	0.3
145.02892	0.7
145.10182	0.5
147.04419	20.3
147.11670	0.4
149.05936	0.6
149.13281	0.5
151.03908	25.6
151.11208	0.3
153.01839	1.8
157.06458	0.5
159.11636	0.3
159.99812	0.3
161.05966	0.9
163.03909	14.5
163.11159	0.6
165.05481	10.6
167.07019	0.8
167.14337	0.6
175.03931	0.4
175.07489	0.5
175.14832	0.4
177.05473	2.2
177.08911	0.3
179.03441	0.4
187.07600	0.4
189.05431	0.6
201.05582	0.3
207.06448	0.3
217.08649	0.6
219.17522	0.4
237.02916	0.5
245.08098	20.2
255.06506	0.7
257.08099	15.1
269.08096	1.3
273.07523	1.4
285.07599	2.5
287.05505	30.6
303.08652	0.8
305.20627	0.3
319.22473	0.6
379.11777	6.4
379.16284	0.5
463.26953	0.4
535.10333	0.6
535.25610	1.9
535.32129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03939	1.4
55.01862	0.6
55.05497	1.3
56.96565	0.8
57.03447	1.0
63.02379	0.6
65.03909	0.5
67.05505	1.7
69.03436	2.1
69.07053	1.6
71.04977	0.7
71.55318	0.7
76.68514	0.4
79.05496	2.4
81.03424	3.2
81.07071	3.3
83.04967	0.5
85.02903	2.9
85.06538	0.8
89.03930	7.0
91.05479	4.5
93.07046	2.8
95.04970	1.5
95.08600	3.6
97.02887	1.8
97.06548	0.8
97.10148	0.8
98.97577	0.9
99.04467	2.0
103.05468	13.4
105.03394	1.5
105.07037	3.9
106.04141	0.5
107.04954	3.2
107.08590	3.0
109.02882	1.1
109.06521	1.6
109.10139	1.9
111.04446	0.7
111.08089	0.6
115.05510	0.6
116.98632	0.7
117.03390	19.4
117.07025	1.2
118.04163	1.5
119.04966	3.9
119.08602	2.5
121.02862	1.2
121.06509	2.1
121.10129	2.1
122.03632	1.0
123.04427	1.8
123.08072	1.2
123.11758	0.8
124.05214	1.3
125.09648	0.5
127.03936	1.4
128.06230	0.4
129.06990	0.6
131.04933	22.4
131.08580	0.7
133.06436	2.3
133.10115	2.4
134.03601	1.5
135.04443	2.9
135.08055	1.8
135.11662	2.2
137.05986	13.6
137.09570	0.4
137.13243	0.4
139.03918	0.8
139.11142	0.5
143.08591	0.5
145.02852	48.9
145.10132	0.6
147.04417	17.7
147.08067	1.8
147.11685	1.5
149.05994	7.2
149.09602	1.7
149.13164	0.6
150.06761	1.3
151.03911	1.7
151.07564	1.3
151.11154	0.5
153.01823	3.0
153.09082	0.5
157.10114	0.6
158.99820	0.5
159.11705	0.6
161.05975	1.6
161.09663	0.7
161.13271	1.3
163.03918	1.9
163.07553	24.3
163.11151	0.9
165.05452	0.8
165.09097	1.9
165.12798	0.6
167.07066	1.4
168.27499	0.4
173.13278	0.9
175.07561	1.0
177.05478	100.0
178.06082	0.6
179.07059	0.6
179.10623	0.7
186.05507	1.9
186.49892	0.4
187.07603	0.8
189.12767	0.6
191.07018	0.5
191.14301	0.8
192.07864	0.7
192.14601	0.4
193.08612	10.1
193.12308	0.6
195.06555	1.0
197.11736	1.6
207.10204	3.6
207.13835	1.1
209.15341	0.9
227.16492	1.6
237.02888	0.7
241.82341	0.4
253.71556	0.5
259.06033	0.5
264.58032	0.4
269.04358	0.4
273.07578	0.4
283.09506	0.5
287.05511	62.7
303.05209	0.5
319.22623	0.6
321.09805	1.0
339.10837	1.9
357.16818	0.9
475.18274	0.6
511.20874	0.5
517.19031	0.9
535.10516	1.8
535.20551	2.1
535.25269	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.05512	16.6
57.03427	5.6
57.07086	11.2
61.02919	6.0
65.03944	2.4
67.05508	90.2
69.03416	1.7
69.06724	2.2
69.07069	25.4
69.78043	3.2
69.78449	6.0
71.04994	3.9
71.08644	7.1
73.02908	2.9
74.06065	4.5
79.05494	24.0
81.07058	100.0
82.92793	1.3
83.04986	2.3
83.08614	21.7
83.78157	1.6
85.02892	5.4
85.06547	2.0
85.10156	1.9
91.03957	3.1
91.05489	20.3
93.07045	31.6
94.11524	1.6
95.08608	92.4
95.53133	1.7
97.02891	2.3
97.06533	5.8
97.10181	10.7
99.08083	3.1
104.10741	2.7
105.07031	13.1
107.08607	18.3
109.10159	44.7
111.08090	5.0
111.11725	3.8
112.91325	1.4
113.09653	3.5
119.08602	16.3
121.10151	23.0
123.11711	24.0
125.09652	2.2
127.11194	1.8
129.05457	1.8
133.10149	19.1
135.11713	13.8
137.13242	6.9
139.11186	1.8
141.12801	3.1
147.11696	11.9
149.13234	13.3
151.14825	6.3
153.12738	1.6
155.14290	4.3
161.13271	18.7
163.14819	12.2
165.16396	10.5
175.14847	10.4
177.16403	3.2
179.14349	3.0
179.17966	9.8
181.15848	3.0
184.07365	1.6
189.16319	4.3
203.17967	2.2
217.19554	2.8
245.22662	75.6
263.23718	97.3
265.25473	2.8
281.24756	2.4
287.05417	2.9
337.27359	48.9
355.28238	4.2
516.40228	5.2
534.35114	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1083
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.86258	0.1
63.20733	0.1
67.01860	0.5
68.89447	0.1
68.99464	0.1
68.99751	0.3
69.03401	0.1
69.94506	0.3
79.05469	0.1
85.02881	0.1
89.03893	0.1
107.04936	0.1
109.02863	0.1
111.00787	0.1
112.89758	0.1
117.03374	0.2
126.15543	0.1
129.01872	0.1
135.04413	1.5
137.02325	0.5
153.01830	4.5
161.02365	0.5
171.02898	0.2
179.03346	0.2
189.05644	0.1
213.05475	0.1
218.05788	0.1
219.06577	0.1
241.04912	0.4
245.04437	0.1
259.06100	0.1
261.08075	0.1
263.57474	0.1
269.04489	0.4
270.05112	0.1
287.05493	100.0
288.05829	0.4
449.10776	1.6
491.12131	0.2
511.08136	0.1
515.18378	0.1
517.09692	0.2
535.10834	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	535.1084
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03930	0.3
57.03400	0.2
57.38769	0.2
67.01843	0.4
68.99789	0.3
69.03426	0.8
69.50369	1.2
73.02893	0.2
74.75338	0.1
79.51553	0.2
80.07965	0.1
81.03391	0.7
82.29842	0.2
85.02912	0.9
87.00853	0.3
94.86951	0.1
97.02864	0.4
99.04453	0.2
107.04940	0.2
109.02866	0.6
127.03915	0.8
129.01868	0.2
135.04430	1.9
137.02332	0.3
137.06030	0.2
145.04985	0.2
147.04364	0.4
153.01842	5.1
161.02335	0.6
171.02853	0.3
179.03331	0.4
187.05978	0.2
203.03366	0.2
241.04988	0.5
269.04361	0.4
286.04681	0.3
287.05499	100.0
288.05844	0.5
290.49744	0.2
449.10840	7.7
491.11917	1.9
517.09790	1.8
535.10809	7.8
535.21008	0.6
552.01489	0.2
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
53.03947	2.0
55.05515	17.2
57.03428	5.4
57.07076	11.7
60.77985	1.1
61.02925	6.3
61.36137	1.2
65.03942	1.7
65.21540	1.3
67.05508	79.1
69.07073	28.3
69.07419	0.8
69.34702	6.5
69.35104	2.7
71.04987	2.5
71.08638	7.1
73.02921	1.3
79.05489	23.7
79.05910	1.8
81.07061	92.9
82.99179	1.3
83.04983	1.9
83.08618	21.3
85.02908	7.3
85.06548	2.5
85.10189	1.9
86.09723	4.2
90.37208	1.4
91.03959	2.5
91.05488	16.9
93.07050	27.4
95.08611	79.6
97.02879	2.7
97.06528	8.4
97.10180	15.2
98.20768	1.7
99.08089	4.2
104.10744	15.8
105.07031	10.0
107.08604	19.4
109.10161	43.6
111.08066	3.4
111.11716	4.5
113.09624	3.2
119.08587	15.1
121.10153	23.4
123.08109	2.0
123.11715	19.9
125.09578	1.3
125.13282	2.3
127.11185	3.4
133.10136	15.1
135.11693	15.8
137.09602	1.7
137.13295	8.1
139.11227	2.1
141.12773	3.1
147.11717	11.0
149.13252	13.1
151.11201	1.6
151.14868	6.8
155.14323	3.1
161.13255	17.1
163.14816	11.5
165.12735	1.5
165.16388	10.0
167.14297	1.4
169.15967	1.4
175.14810	11.7
177.16405	3.2
179.17950	10.0
180.72908	1.4
181.15939	1.7
184.07362	5.1
189.16356	5.8
193.15877	2.9
224.31648	1.2
245.22661	69.1
263.23718	100.0
265.25336	1.8
281.24713	2.0
287.05688	1.3
337.27362	70.8
355.28397	8.6
475.22101	2.8
499.32840	3.4
534.29211	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	533.1659
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
53.03940	0.1
55.01873	0.1
55.05507	0.1
56.96553	0.1
57.07076	0.6
63.81549	0.1
65.79513	0.1
66.25329	0.1
67.01855	0.4
67.05518	0.2
68.99771	0.4
69.03423	0.3
69.07057	0.1
69.32569	0.6
71.04985	0.1
73.82734	0.1
74.19495	0.1
79.05474	0.2
81.03404	0.4
81.07058	0.6
83.04944	0.1
84.13124	0.1
85.02879	0.3
85.06509	0.1
88.35509	0.1
89.03891	0.1
91.05473	0.4
93.07053	0.5
95.04965	0.3
95.08586	0.3
97.02875	0.3
97.06513	0.1
97.10166	0.1
98.97592	0.1
99.04461	0.1
105.03391	0.3
105.07022	0.2
107.04928	0.3
107.08600	0.4
108.08929	0.1
109.02863	0.2
109.06528	0.6
109.10152	0.3
111.00789	0.1
111.04465	0.1
117.03370	0.2
119.04940	0.2
119.08559	0.1
121.02858	0.1
121.10114	0.4
123.08062	0.1
123.11674	0.2
127.03895	0.4
131.04944	0.2
133.10112	0.2
135.04416	1.4
137.02344	0.5
145.04927	0.1
145.10039	0.1
147.04414	1.0
147.11601	0.1
149.09604	0.2
151.11192	0.7
153.01834	4.5
161.02351	0.6
165.09093	0.1
167.10625	0.1
171.02904	0.6
177.05466	0.1
179.03461	0.4
185.05908	0.1
191.03363	0.1
192.07843	0.1
203.03432	0.1
207.13803	0.1
213.05533	0.1
219.06470	0.1
229.10660	0.4
241.04906	0.5
245.04398	0.2
259.06091	0.1
263.05453	0.1
269.04471	0.3
271.05957	0.1
287.05502	100.0
288.05795	0.6
299.45154	0.1
339.90802	0.1
384.95053	0.1
445.20578	0.6
523.41705	0.1
530.36365	0.1
532.35651	0.1
533.16547	1.2
533.25165	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.05505	1.2
56.96556	0.7
57.33879	0.6
61.01146	1.5
67.05496	1.3
68.99794	2.7
69.03432	2.7
69.07044	1.3
71.54397	0.8
72.04527	2.4
78.03788	3.5
78.48179	0.5
81.03400	1.9
81.07050	2.4
83.04964	0.6
85.02911	3.5
85.06535	1.1
86.06067	1.4
88.02213	3.1
91.05504	3.0
93.07043	2.0
93.61321	0.6
95.04968	1.3
95.08590	2.1
97.02895	1.9
97.10209	0.9
98.06053	1.1
98.97574	1.0
99.04463	0.8
99.05567	1.2
102.03770	4.8
105.07030	2.3
107.04951	1.9
107.08607	1.6
109.02893	1.3
109.06498	1.0
109.10138	1.9
113.06044	0.8
114.03741	0.9
115.08690	1.6
116.14278	0.5
119.04965	3.8
119.08553	0.8
121.10140	1.1
123.08112	0.6
123.11723	0.7
124.07579	1.1
125.09572	0.6
127.03908	1.5
128.06239	0.9
129.07016	1.7
131.04907	0.8
131.06360	2.6
131.08569	1.4
132.04794	4.5
133.02858	0.9
133.10155	1.1
135.08031	1.1
135.11688	0.7
137.05972	2.0
142.08641	1.7
143.08525	0.8
145.04938	0.9
145.10147	1.0
147.04425	20.5
149.07442	22.8
149.09540	1.4
151.03925	0.6
152.06253	1.0
153.06998	4.1
157.06497	6.8
159.05891	1.2
163.11162	1.1
165.05486	0.8
165.06915	1.4
167.07047	0.9
169.06453	0.6
171.08047	1.9
175.05394	0.9
177.05501	1.0
178.05003	3.9
178.75952	0.6
179.07043	0.8
181.06482	11.7
184.09680	1.0
185.05962	3.1
187.07578	2.0
191.14313	2.3
193.04996	3.5
194.38251	0.5
199.07562	7.1
207.13802	0.8
209.05951	3.9
210.06819	0.6
213.05473	7.3
227.07053	15.6
227.09369	0.8
237.02931	0.5
237.05472	2.1
243.11659	1.1
255.06537	100.0
256.06946	0.7
259.93448	0.6
261.12695	24.8
284.09171	3.0
287.05545	1.0
289.86655	0.7
291.08597	0.6
299.78384	0.6
309.09659	0.8
326.10266	10.8
403.13321	3.8
515.18304	4.0
533.18341	3.7
533.26202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01867	4.8
55.05508	2.4
56.96551	1.2
57.03438	8.5
59.04994	0.8
60.48924	0.7
61.02930	10.1
61.03224	1.3
65.03924	1.8
67.05173	0.8
67.05515	3.9
69.03428	29.2
69.07066	10.8
69.59658	6.1
71.04995	5.1
72.14823	0.8
73.02909	4.8
79.05484	4.0
81.03419	14.4
81.07056	7.8
83.04980	1.5
83.08622	2.8
85.02907	100.0
85.06569	1.1
87.04472	5.6
91.03941	6.0
91.05493	10.3
93.07055	5.7
95.04974	8.0
95.08609	6.1
97.02897	37.1
97.06537	4.2
97.10226	1.0
99.04459	5.8
105.07040	6.8
107.04981	2.9
107.08587	7.9
109.02886	12.3
109.06538	6.2
109.10158	2.6
111.04423	0.9
113.06005	1.5
115.05584	0.9
117.03362	1.2
117.26402	0.8
119.04940	15.2
119.08601	6.0
121.02859	5.8
121.06522	4.2
121.10161	4.6
122.07332	3.7
123.04473	1.4
123.08073	21.7
125.05988	1.6
127.03918	28.0
131.04993	1.1
131.08583	1.5
133.10143	9.7
135.04449	1.6
135.08058	26.5
135.11708	5.4
137.09596	4.9
139.03934	1.2
140.50613	0.9
145.03209	1.0
145.04958	37.8
145.10172	2.8
147.04413	71.8
147.11713	3.3
148.08826	1.3
149.09616	2.6
149.13268	1.4
151.03996	1.1
159.11690	1.3
161.13324	3.4
163.03911	10.7
163.06012	7.3
163.11201	0.8
163.14833	1.0
165.05423	4.2
165.12746	18.7
171.06499	2.3
172.78920	0.8
173.13301	1.5
175.14796	4.2
176.12045	2.6
177.12804	1.1
189.07657	3.3
189.12823	2.8
191.14313	88.0
193.15913	10.6
195.70222	0.9
207.13826	5.0
209.15372	15.4
225.14977	1.0
301.07385	0.9
301.89764	0.9
309.09796	3.2
309.14621	2.4
317.21326	1.1
323.18066	1.0
327.68765	0.9
353.19705	3.2
371.20712	9.8
402.26764	1.0
533.26062	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.6
57.03445	0.5
57.46032	0.3
58.06607	0.4
60.07891	0.6
60.08167	7.4
67.05489	0.8
69.07059	0.5
70.26250	1.1
70.82710	0.3
71.07376	3.5
71.29936	0.3
76.30616	0.4
78.23328	0.3
79.05485	0.7
81.03424	0.5
81.07043	1.4
83.04970	0.3
85.02880	0.9
86.09708	31.9
89.56348	0.4
91.05472	1.1
93.07027	1.2
95.08621	0.7
97.02863	0.4
98.98473	2.7
104.10748	17.9
105.03442	0.4
105.07063	0.6
107.08614	0.4
109.10152	0.7
119.08586	0.4
121.10180	0.8
125.00010	21.3
136.06752	0.3
139.03917	0.5
184.07347	100.0
203.49042	0.4
205.19507	0.4
249.10960	1.0
250.11276	0.8
258.10934	0.4
261.39792	0.4
280.00952	0.3
285.10052	0.5
287.05511	3.4
325.29697	0.3
351.92966	0.4
385.82990	0.4
401.12732	0.4
516.30823	2.9
534.26569	3.1
534.31915	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	532.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.05510	14.0
57.03429	8.9
59.59639	2.7
61.02930	6.1
62.01203	2.9
65.48134	3.2
67.05507	41.0
69.03424	23.1
69.07066	13.6
69.30670	24.3
71.04984	3.5
73.02921	39.4
79.05502	26.7
81.03419	6.0
81.07054	45.9
83.08621	8.6
85.02897	35.3
85.13583	3.3
87.04459	6.4
91.05484	61.6
93.07047	68.0
95.04987	10.0
95.08614	74.3
97.02896	32.9
97.06522	5.2
97.10170	9.0
98.21526	7.1
105.07036	85.4
107.08592	69.6
109.09460	6.6
109.10153	58.5
115.03938	27.5
119.08584	67.4
120.34104	3.0
121.10154	48.8
123.04461	4.1
123.11720	15.7
127.03925	13.4
131.04953	4.1
131.08582	7.6
133.04982	27.5
133.10127	52.7
135.11705	17.1
145.04900	17.4
145.10083	4.0
147.11697	96.0
150.07562	7.3
159.11693	5.1
161.13272	28.2
163.06035	6.4
175.14845	11.0
203.17961	100.0
203.19772	6.5
220.11929	4.0
223.06056	3.7
223.70387	3.6
241.07098	5.0
251.82175	3.2
259.08081	5.6
271.06088	6.6
272.06274	6.4
295.10217	6.0
335.22147	5.0
337.21759	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.05510	14.0
57.03429	8.9
59.59639	2.7
61.02930	6.1
62.01203	2.9
65.48134	3.2
67.05507	41.0
69.03424	23.1
69.07066	13.6
69.30670	24.3
71.04984	3.5
73.02921	39.4
79.05502	26.7
81.03419	6.0
81.07054	45.9
83.08621	8.6
85.02897	35.3
85.13583	3.3
87.04459	6.4
91.05484	61.6
93.07047	68.0
95.04987	10.0
95.08614	74.3
97.02896	32.9
97.06522	5.2
97.10170	9.0
98.21526	7.1
105.07036	85.4
107.08592	69.6
109.09460	6.6
109.10153	58.5
115.03938	27.5
119.08584	67.4
120.34104	3.0
121.10154	48.8
123.04461	4.1
123.11720	15.7
127.03925	13.4
131.04953	4.1
131.08582	7.6
133.04982	27.5
133.10127	52.7
135.11705	17.1
145.04900	17.4
145.10083	4.0
147.11697	96.0
150.07562	7.3
159.11693	5.1
161.13272	28.2
163.06035	6.4
175.14845	11.0
203.17961	100.0
203.19772	6.5
220.11929	4.0
223.06056	3.7
223.70387	3.6
241.07098	5.0
251.82175	3.2
259.08081	5.6
271.06088	6.6
272.06274	6.4
295.10217	6.0
335.22147	5.0
337.21759	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.05268	1.4
55.05509	19.2
56.96563	1.2
57.07063	3.0
59.05006	23.6
67.05495	1.6
69.03424	2.4
69.79162	1.3
69.79562	4.7
70.73966	0.9
71.04995	10.2
71.95235	0.9
73.02925	1.1
73.06557	71.4
75.04463	1.0
79.05488	2.1
81.03411	1.8
81.07037	3.3
83.04970	2.0
85.02898	5.3
85.06543	1.7
87.04470	11.5
89.06032	56.0
91.05469	4.4
93.07035	5.8
95.04936	2.0
95.08596	1.7
97.02872	3.2
97.06525	1.2
98.97581	1.7
101.09645	1.4
103.07585	44.3
105.07016	1.6
107.04994	1.0
107.07076	14.6
107.08592	3.5
109.02911	1.2
109.10192	2.3
111.08126	1.2
119.04975	2.0
119.07041	4.8
119.08511	1.4
121.10133	4.0
123.11736	1.2
127.03934	1.2
130.08661	0.9
131.08620	1.5
133.10146	5.1
147.04413	9.2
149.09587	2.1
151.03900	1.2
151.11192	2.3
159.10179	10.2
161.11737	94.3
163.03951	1.0
163.13260	2.2
164.40987	0.9
175.13329	2.8
179.12788	53.0
191.12787	100.0
227.17033	1.0
353.18143	2.0
444.67484	1.0
532.21472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02329	0.9
53.03939	4.6
54.53191	0.8
55.01874	4.8
55.05268	1.3
55.05511	15.8
55.70447	0.9
57.03423	3.8
57.07058	3.5
59.73659	0.9
65.03915	3.7
67.05506	74.0
69.03405	4.2
69.06729	1.6
69.07071	19.7
69.17989	9.4
69.27699	1.1
71.04992	6.2
71.08576	1.0
74.37708	0.9
79.05494	43.3
81.03409	2.5
81.07059	70.9
83.04990	7.7
83.08614	5.2
85.06545	6.8
87.04474	6.0
87.17330	0.8
91.05482	50.0
93.07046	51.7
95.04987	7.2
95.08610	30.4
97.06543	5.3
97.10154	2.8
99.04445	2.7
102.99451	1.0
105.04535	1.4
105.07034	45.5
107.05006	1.1
107.08598	49.5
108.34683	1.0
109.06540	5.2
109.10159	61.8
111.08082	1.7
113.05979	3.3
115.07581	1.5
117.07007	6.4
119.08583	12.6
121.06546	1.1
121.10146	15.1
123.08041	2.0
123.11726	12.8
125.09634	1.6
127.07526	3.8
129.07030	1.2
131.08568	13.0
133.10136	77.5
135.11694	13.5
143.08554	2.6
145.02805	2.8
145.10123	7.8
147.11691	5.9
149.13254	7.3
151.09966	2.0
151.11183	39.1
157.10103	1.2
159.11685	5.7
161.09604	2.1
161.13274	4.4
163.14818	1.9
164.53271	1.2
169.12233	11.3
171.11606	1.2
173.13269	5.6
173.91112	1.0
175.14841	2.7
177.05473	8.0
177.16356	1.0
179.10678	1.6
187.14748	2.5
215.12759	4.2
233.22687	1.0
243.21014	3.7
253.14355	75.4
255.15747	1.2
261.22110	18.0
271.15375	2.7
315.23242	1.6
317.24649	4.6
369.44724	1.0
411.32529	1.2
439.32001	3.6
457.32880	5.1
468.54486	1.1
513.35626	12.4
531.37115	100.0
532.37457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1846
Annotation	Isoswertisin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
53.03942	1.8
55.01888	0.8
55.05507	1.0
57.07084	9.2
58.03529	0.8
67.05473	2.5
69.03430	2.9
69.07055	1.6
71.04984	0.9
71.54646	0.9
71.55049	0.9
79.05499	4.6
81.03445	5.6
81.07035	2.4
83.08657	0.8
85.02905	2.9
85.06580	1.8
85.30984	0.7
91.05502	4.0
93.07064	3.5
95.04957	1.0
95.08584	2.3
97.02927	3.9
97.06547	1.3
97.10163	1.0
98.97596	1.2
105.07030	2.9
107.04972	19.5
107.08602	1.9
109.02863	3.1
109.06496	0.8
109.10132	1.7
117.07008	1.1
119.04945	1.8
119.08560	2.2
121.06548	0.9
121.10137	1.8
123.04395	2.0
125.09580	0.8
127.03889	2.4
131.04918	1.8
133.02649	1.0
133.10127	1.3
135.04181	3.8
137.05972	1.0
145.10089	1.7
147.04411	4.4
147.11687	1.0
153.87227	0.8
159.11711	1.1
161.09618	0.8
163.03949	1.1
166.66937	0.7
175.90807	0.8
179.03175	10.7
191.03461	1.2
229.10782	1.2
230.76025	0.7
241.08386	1.5
269.09952	5.8
275.08954	3.6
375.14032	1.7
487.19421	5.8
531.18323	100.0
532.18823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2933
Annotation	Asn Ile Glu Arg
Peak:m/z	Relative Intensity
55.05497	1.6
57.03416	0.8
58.32317	0.6
58.58205	0.6
66.91984	0.7
67.05490	2.6
69.07050	1.0
69.42547	4.1
79.05492	2.5
81.03387	1.3
81.07047	2.3
83.04980	1.1
83.08613	0.7
85.02920	1.2
88.75814	0.5
91.05508	2.9
91.33798	0.5
93.07053	2.3
93.62565	0.5
95.04963	1.3
95.08598	1.6
105.07026	2.1
107.08595	1.0
109.10108	0.6
119.08616	1.8
121.10104	1.0
131.08589	0.8
132.60078	0.7
147.11783	1.0
214.51979	0.7
236.38896	0.6
247.13089	5.6
251.12532	1.6
286.71704	0.6
303.15747	2.6
306.68454	0.5
307.15253	2.4
358.16556	1.7
359.34433	0.6
371.18497	0.6
382.42776	0.6
531.29291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
54.88802	2.2
55.01881	4.3
55.05512	32.9
57.03436	15.7
59.05006	4.5
65.03958	3.5
67.05508	100.0
69.03401	3.3
69.07074	22.4
69.21451	7.0
69.21865	16.5
71.04987	8.8
73.02922	6.6
79.05492	43.7
81.03420	11.4
81.07063	84.5
83.04969	8.5
83.08632	21.7
85.02921	10.4
85.06560	6.1
87.04458	5.8
91.05485	30.5
93.07056	45.1
95.04985	9.9
95.08607	25.1
97.06534	7.5
97.10173	15.1
99.08093	2.9
103.03969	2.4
105.07042	14.2
107.04976	4.4
107.08607	33.1
109.06512	3.6
109.10165	37.5
111.08079	4.7
117.07027	10.7
119.08573	12.4
121.06505	3.0
121.10149	18.7
123.08064	3.2
123.11682	4.6
125.09669	15.5
129.05470	6.7
129.07016	3.0
131.08578	13.6
133.10136	20.1
135.10759	3.3
135.11653	13.1
137.09653	3.9
143.10690	3.0
143.69321	2.2
145.10100	6.2
147.11707	4.4
149.09608	2.7
149.13226	16.1
150.10164	2.6
151.11205	2.9
155.10649	2.8
159.11713	9.6
163.11192	9.0
173.11752	15.6
177.12697	4.0
184.96307	2.2
193.12366	2.8
195.13786	17.1
199.13319	10.6
209.11777	8.1
213.14914	2.7
227.12791	5.8
229.14354	43.3
244.49104	2.4
267.15771	3.9
269.17508	64.3
301.16498	14.3
411.27600	5.1
423.27310	17.2
489.21729	2.8
495.29510	22.4
513.30469	17.5
530.39923	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	530.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57959	0.3
53.03936	0.4
53.35628	0.3
55.01857	1.1
55.05511	3.0
56.90137	0.2
57.03440	2.9
57.07074	8.0
61.02923	0.4
62.07712	0.2
65.03937	0.9
67.05514	3.0
69.03076	0.3
69.03427	4.0
69.07069	5.6
70.08067	1.0
71.01356	0.6
71.04991	1.8
73.02924	1.7
73.06543	0.3
78.04684	0.3
79.05064	0.4
79.05494	5.0
81.03423	1.1
81.07055	5.0
83.04986	2.3
83.08627	2.2
85.02909	3.1
85.06542	10.1
87.04465	2.8
87.08100	1.0
91.05481	21.1
93.07046	2.6
95.04959	1.1
95.08614	1.9
97.02883	1.0
97.06519	0.9
97.10152	0.3
97.86756	0.2
99.04454	1.1
99.08116	1.2
99.86290	0.2
103.03943	0.9
103.07590	0.4
104.06244	1.3
105.07030	4.5
107.04990	0.3
107.08595	1.8
109.06522	3.1
111.04448	1.1
111.08084	6.9
115.03941	0.8
115.07572	0.6
117.05483	0.8
117.07027	0.7
117.27273	0.3
118.81586	0.2
119.08601	0.4
121.10190	0.2
123.08044	1.5
125.09637	1.9
127.07559	6.3
129.05452	0.3
129.09122	1.5
131.08540	0.3
133.10130	100.0
134.10509	0.4
135.08052	1.5
137.09619	0.4
139.07520	0.4
141.09123	0.6
143.08565	0.3
145.08627	0.3
147.08058	4.3
147.11789	0.2
149.09622	22.9
151.07599	0.2
153.09102	7.4
160.99553	0.3
165.09186	0.4
169.08649	0.9
171.10167	15.9
182.12701	0.2
183.42216	0.2
187.09651	0.8
187.11223	0.3
189.11220	21.2
232.76628	0.3
247.13364	0.3
313.12994	0.2
319.19073	0.6
328.41730	0.2
333.16980	0.5
335.18646	0.4
337.20084	4.0
351.18076	0.7
485.29010	6.1
530.38739	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01869	2.7
55.05516	17.2
55.52320	1.7
56.96572	1.6
57.03438	15.3
62.78151	1.9
67.05501	24.7
69.03423	5.5
69.07069	9.2
71.04993	4.9
71.55369	2.5
79.05141	1.8
79.05508	24.0
81.03422	72.6
81.06670	2.0
81.07069	32.2
83.04987	14.3
83.08148	2.3
83.08621	24.6
85.02909	25.2
85.06554	2.2
85.16560	1.8
91.05483	34.4
93.07048	21.5
95.04978	29.6
95.08605	10.8
97.02876	2.8
97.06522	4.4
97.10192	3.9
105.07034	28.8
107.04946	6.8
107.08585	13.5
109.06519	3.0
109.10155	4.3
111.04450	3.3
111.08079	11.9
113.05970	2.4
115.05431	3.0
119.08593	17.8
121.06499	2.1
121.10141	11.2
123.08062	4.0
123.11669	2.1
129.07004	13.8
131.08603	13.7
133.06506	4.4
133.10135	12.9
135.08051	2.1
135.11649	2.7
137.09595	2.0
139.39195	1.9
142.07799	3.9
145.10118	3.7
147.04390	2.2
147.08058	4.0
147.11687	18.8
149.09604	8.0
155.75375	2.2
157.10136	16.3
165.12746	5.4
175.11185	17.7
193.12254	48.6
195.46622	1.8
211.13306	84.3
213.69177	2.0
219.17355	2.4
267.15948	29.6
270.63647	1.7
285.16983	100.0
338.74438	1.8
350.23956	5.5
351.25372	2.0
385.23611	3.2
403.24753	2.1
454.19510	1.9
459.27576	13.5
477.28485	23.7
495.29562	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.05514	18.5
57.03156	0.8
57.03438	16.3
57.07057	0.7
59.04994	0.8
65.03937	1.6
67.05505	27.5
69.03424	4.7
69.06693	0.4
69.07066	8.6
69.35236	1.3
69.35648	3.5
71.04991	5.8
73.02894	0.6
73.06563	0.9
79.05496	29.5
81.03420	77.5
81.07059	33.8
83.04984	20.6
83.08621	26.0
85.02905	29.9
85.06523	2.3
87.04475	1.1
91.05485	41.9
93.06557	0.4
93.07047	21.1
95.04973	31.0
95.08610	12.4
97.02911	3.4
97.06523	5.1
97.10177	3.6
99.04453	0.7
99.08096	1.4
103.05432	0.9
105.04534	0.5
105.07033	29.7
107.04963	8.9
107.08591	10.0
109.06525	5.7
109.10152	3.7
111.03794	0.5
111.04440	2.9
111.08081	13.1
113.06004	3.5
115.05457	2.0
115.18231	0.5
116.06219	0.5
117.07048	1.7
119.04953	1.7
119.08587	26.0
121.06499	2.8
121.10151	10.8
123.08067	3.7
123.11725	2.1
125.09641	1.5
127.07571	0.7
128.06248	0.7
129.07011	13.7
131.08575	14.5
133.06505	3.4
133.10132	15.1
137.09641	2.0
139.12392	0.6
142.07788	3.9
145.10153	2.2
147.04404	2.1
147.08047	3.7
147.11694	17.2
148.04727	0.7
149.09618	7.8
151.11192	0.9
157.10133	18.5
161.09659	0.6
163.11203	1.3
165.12782	3.8
175.11186	18.3
193.12250	65.4
194.12503	0.5
211.13295	100.0
229.14310	0.5
237.85825	0.5
249.14799	1.0
267.12973	1.1
267.15912	28.5
285.16968	96.9
349.21689	0.9
367.22662	1.7
385.23514	1.5
403.24646	0.9
459.27408	10.0
477.28479	14.7
495.29559	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
52.10423	0.4
53.03952	3.7
55.01858	1.8
55.05511	14.5
57.03437	3.7
57.07078	2.9
60.78380	0.4
62.16354	0.4
65.03940	3.1
67.05505	51.6
69.03426	0.6
69.07069	17.4
71.04999	3.3
71.08606	0.8
77.03900	1.0
79.05494	41.4
81.03419	1.8
81.07058	57.0
83.04993	3.5
83.08620	9.0
85.06547	2.5
91.05484	24.2
93.07043	51.8
93.92776	0.4
95.04964	5.1
95.08606	28.6
97.06533	6.2
97.10174	3.0
99.08118	2.2
103.05459	0.6
105.04520	1.0
105.07037	14.4
107.04953	0.9
107.08596	24.5
109.06512	1.8
109.10160	8.7
111.08097	2.8
111.11732	0.6
113.09695	0.5
115.05440	0.7
117.07018	8.9
118.21763	0.4
119.08580	10.4
121.06553	1.0
121.10144	20.7
123.08095	1.1
123.11729	2.8
125.09644	1.6
129.06992	2.1
130.07829	0.6
131.07603	0.6
131.08572	12.5
133.10133	10.5
133.11092	0.7
135.08067	1.1
135.11697	10.9
137.09628	0.6
137.13235	0.7
138.56850	0.4
139.11192	1.4
141.07014	0.6
142.07843	0.6
143.08562	2.0
145.10120	6.5
147.11673	5.5
149.09648	0.6
149.13258	21.8
151.11203	0.7
155.08594	1.0
157.10135	2.0
159.11700	10.7
161.13298	3.5
163.14877	1.1
165.12672	0.6
169.10176	1.2
171.10336	0.5
171.11656	2.6
173.13234	3.0
175.14844	1.4
177.12772	3.7
177.16341	0.8
181.10098	0.7
183.10184	0.4
183.11739	1.5
185.13271	1.3
187.14818	2.0
189.11287	0.4
193.12262	0.5
195.11949	0.9
195.13803	6.3
197.13239	0.8
199.14828	0.9
201.16420	1.0
213.14825	0.9
215.17899	0.6
217.19455	0.7
229.48964	0.5
243.21175	1.3
253.21745	1.1
261.22031	3.7
271.20670	0.5
275.20297	0.7
299.23544	0.6
311.23502	0.5
317.24673	1.4
339.27118	0.5
341.97156	0.5
419.33170	0.9
437.34091	3.9
455.35345	1.5
511.37766	1.9
529.38916	100.0
530.39343	1.4
530.47522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3504
Annotation	Camarinic acid
Peak:m/z	Relative Intensity
55.05505	2.9
57.03414	1.2
57.07038	0.6
57.92518	0.6
67.05507	10.2
68.80767	0.6
69.07043	2.3
70.73096	1.3
70.73444	1.1
79.05491	6.1
81.03402	1.5
81.07063	8.4
83.08593	1.8
91.05470	4.1
93.07052	5.3
95.04935	0.9
95.08602	5.8
97.61629	0.6
105.07010	1.8
107.08597	3.7
109.10117	2.8
117.06983	1.1
118.97205	0.7
119.08524	1.3
121.10115	2.7
123.11730	0.8
129.07011	0.8
131.08543	2.4
133.10104	1.6
135.11658	1.2
137.13237	0.8
142.12477	0.6
145.10077	1.1
147.11700	1.3
148.48613	0.6
149.13248	0.9
159.11685	0.9
193.12173	0.9
195.09959	8.4
231.65282	0.6
251.12480	1.2
288.15829	0.6
322.83963	0.6
335.25739	1.7
357.23718	0.9
475.62091	0.7
529.34747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01874	0.9
55.05264	1.1
55.05512	13.5
57.03434	3.2
57.07070	2.6
65.03946	2.5
67.05511	52.4
69.03435	0.9
69.07074	18.1
70.66328	1.4
70.66663	1.3
71.04984	3.0
72.31409	0.7
75.21642	0.8
77.03935	1.0
79.05499	46.2
81.03422	2.1
81.07063	61.1
81.52055	0.8
82.10050	0.7
83.04991	4.5
83.08622	9.1
85.06557	2.6
87.04461	1.2
88.07607	0.9
91.05484	24.4
93.07053	54.4
94.50020	0.7
95.04976	5.8
95.08614	28.6
97.06533	7.0
97.10183	2.6
99.08105	1.7
101.98653	0.7
103.53363	0.7
105.04515	1.9
105.07036	16.7
107.05034	0.9
107.08604	28.1
109.06535	3.0
109.10165	9.1
111.08091	4.7
115.05402	1.0
117.07035	8.2
119.08588	12.0
121.06548	1.8
121.10153	21.0
123.08089	1.5
123.11738	4.9
125.09624	1.1
129.07028	3.1
131.08580	14.0
133.10133	13.4
135.08038	1.5
135.11700	12.9
139.11238	2.1
143.08575	3.3
145.10135	9.0
147.11716	7.3
147.14755	0.9
149.13271	23.9
155.08514	1.6
157.10127	4.2
159.11707	14.7
161.13300	3.4
163.14885	1.3
167.07103	1.3
167.08546	0.8
169.10181	2.3
171.10417	0.8
171.11751	2.8
173.13261	5.1
175.14870	2.2
177.12805	3.2
181.10329	0.9
183.11760	1.5
185.13330	1.9
187.14896	2.8
195.13795	6.9
197.13345	1.9
199.14847	1.8
201.16472	1.0
209.13171	0.9
211.41217	0.8
212.17943	0.9
213.14815	1.6
223.14861	1.1
225.16335	1.1
239.93712	0.7
243.21219	0.9
256.26416	3.2
257.22891	1.2
261.22260	3.1
317.24765	0.9
329.21283	0.8
373.82858	0.9
381.28159	2.1
405.28250	1.0
419.33444	1.0
423.29044	5.6
437.34299	2.8
439.32083	1.3
455.35449	1.8
465.30423	1.1
469.29553	8.7
473.35785	0.9
483.31070	5.3
490.44052	0.8
511.37805	2.2
529.38959	100.0
530.39349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01859	1.0
55.05503	0.8
57.03413	0.4
57.07054	0.3
61.02924	0.6
65.03952	1.4
67.05499	2.3
69.03434	1.6
69.07083	1.4
71.04989	1.7
71.56857	0.3
79.05489	2.2
81.03423	1.5
81.07056	4.2
83.04978	0.5
83.08607	0.6
85.02901	1.3
85.06538	0.4
91.03975	0.4
91.05481	12.0
93.07050	3.2
95.04964	0.8
95.08597	2.5
97.02883	1.2
97.06525	1.0
97.07077	0.3
97.10156	0.3
98.97582	0.4
99.04432	0.3
99.08074	0.5
103.05460	0.3
105.03378	0.3
105.07027	3.3
107.04946	3.6
107.08597	3.2
109.02847	0.7
109.06499	0.8
109.10134	2.7
111.04453	0.4
111.08097	0.5
115.05427	0.3
117.07014	0.8
119.04942	24.6
119.08580	3.0
121.02860	0.4
121.06504	0.7
121.10150	2.0
123.04410	0.7
123.08070	0.3
123.11713	0.9
125.09630	1.5
127.03918	0.8
127.11173	1.0
129.06940	0.3
131.04913	1.0
131.08589	1.2
133.06497	1.1
133.10153	1.8
135.08000	0.4
135.11691	1.6
137.05971	0.3
137.09625	0.7
137.13326	0.3
139.03917	0.4
141.06917	0.3
143.08568	0.6
145.06461	0.5
145.10123	1.5
147.04411	100.0
147.11685	1.5
149.09618	0.6
149.13271	0.7
153.01840	0.3
153.12749	0.7
156.09352	0.3
157.06415	0.4
157.10164	0.9
159.04436	1.0
159.08040	0.5
159.11679	1.6
161.09663	0.5
161.13293	0.4
163.07579	0.8
163.11166	0.4
165.05530	0.6
165.06924	0.3
165.12805	0.3
169.10141	0.4
171.08061	0.6
171.11696	0.8
173.09602	0.6
173.13327	0.5
175.11226	0.6
175.14931	0.3
177.05490	0.6
183.08081	0.3
183.11742	0.4
185.09552	0.5
185.13277	0.3
187.11255	0.3
187.14934	0.3
189.09140	0.3
189.16527	0.3
191.07216	0.3
191.14359	0.5
193.15982	0.3
195.11716	0.4
197.09619	0.4
199.11220	1.1
201.12741	0.3
201.16444	0.6
203.17996	0.9
211.11052	0.3
219.17337	0.4
223.11049	0.3
225.12743	0.3
227.12700	0.3
227.18150	0.3
231.17415	0.3
245.19066	0.5
253.15881	0.7
275.20050	1.1
279.08786	0.3
287.20053	0.3
293.12933	0.2
301.14377	0.3
311.20087	0.6
321.22119	0.3
329.21155	0.7
339.23178	0.8
347.22278	0.5
349.24286	1.2
367.18127	0.3
367.22803	0.8
461.23083	0.3
493.26175	0.5
496.33017	0.3
511.26862	1.3
529.20544	0.8
529.26465	0.4
529.34167	4.8
558.03320	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	529.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01871	0.4
55.05505	1.1
56.96567	0.4
57.03428	0.6
61.02929	0.7
65.03938	1.6
67.05506	2.6
69.03442	1.6
69.07069	1.3
71.04980	1.1
71.50830	0.3
73.02935	0.3
79.05508	1.7
81.03408	1.3
81.07061	3.9
82.95222	0.2
83.04971	0.5
83.08614	0.7
85.02896	1.0
91.05482	15.1
93.07047	2.9
95.04977	0.8
95.08602	2.2
97.02897	1.1
97.06520	1.1
97.10182	0.4
98.97578	0.4
99.04453	0.4
99.08110	0.3
101.02414	0.3
103.05492	0.5
105.07037	3.0
107.04944	1.9
107.08600	2.8
109.02876	0.5
109.06523	0.6
109.10142	1.9
111.08106	0.4
115.05486	0.4
116.98620	0.3
117.07030	0.8
119.04947	28.6
119.08591	2.3
121.06544	0.7
121.10172	1.7
123.04440	0.9
123.08126	0.3
123.11696	0.9
125.09640	1.0
127.03955	0.5
127.11176	0.7
129.07027	0.3
131.04939	1.1
131.08572	1.2
133.06462	0.4
133.10124	2.4
135.08049	0.4
135.11671	1.3
137.09593	0.5
139.03885	0.5
142.07841	0.4
143.08572	0.6
143.10648	0.4
145.10126	1.2
147.04416	100.0
147.11685	1.7
148.04858	0.4
149.05917	0.3
149.09570	0.4
149.13240	0.8
151.03920	0.8
153.05461	0.9
153.12764	0.8
155.08525	0.3
157.06471	0.5
157.10129	1.1
159.04401	0.8
159.08035	0.6
159.11696	1.5
161.09698	0.6
161.13284	0.7
163.11234	0.4
165.05498	0.5
165.45047	0.2
169.10075	0.3
171.08037	0.4
171.11714	0.6
173.13231	0.5
177.05470	0.6
177.12775	0.4
179.14262	0.4
183.11749	0.4
185.09660	0.3
187.11151	0.4
189.16370	0.5
199.11281	0.6
201.09213	0.3
201.12718	0.4
201.16476	0.3
203.14388	0.3
203.18022	0.6
209.19289	0.3
210.55740	0.3
213.08972	0.2
213.16437	0.3
219.17357	0.3
221.15385	0.3
231.13759	0.3
257.19067	0.3
269.17459	1.1
275.20099	1.6
291.08502	0.3
303.08688	1.2
309.09756	0.5
311.20105	0.7
321.21909	0.4
329.21155	0.5
339.23056	0.4
347.22284	0.7
349.24057	1.6
359.22464	0.4
365.23685	0.3
367.22360	0.5
493.26239	0.3
511.27609	0.8
529.28137	0.8
529.34943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76517	0.5
53.03937	0.6
57.07074	1.5
58.89200	0.5
59.05010	0.7
59.61064	0.5
65.03956	1.3
67.05502	1.7
69.03436	1.6
69.07064	1.9
69.46554	1.0
69.46967	2.7
70.02947	1.0
70.48070	0.5
72.04514	4.9
73.02916	1.8
73.41773	0.5
74.02435	0.9
77.05478	0.6
81.03403	3.7
83.04983	0.6
85.02914	1.8
85.06549	3.3
86.09708	1.0
90.05557	35.5
91.05480	6.8
95.04974	2.1
97.02893	1.8
98.02419	5.8
100.04001	1.2
103.07593	1.9
105.03407	0.7
107.04951	1.5
109.02885	1.9
113.06035	1.0
116.03465	5.9
117.03476	0.5
119.04953	17.7
123.04440	1.0
124.07594	5.5
127.03928	1.3
137.05998	0.7
142.08659	3.1
143.63626	0.7
147.04417	100.0
149.06001	0.5
165.05473	3.9
166.08615	1.0
167.09297	0.6
177.05498	0.8
184.09737	7.7
191.03387	13.3
202.10742	18.1
220.11816	81.6
225.53459	0.5
241.78252	0.6
291.08673	3.8
309.09738	4.9
335.07520	1.3
353.08698	2.7
528.19666	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01862	7.7
55.05510	20.6
57.03439	20.5
61.02925	6.6
67.05511	42.6
69.03418	5.0
69.07063	12.6
71.04980	16.3
71.56583	5.0
71.84750	3.9
73.02888	6.4
73.14455	3.9
73.85523	4.0
79.05494	60.0
81.03428	54.9
81.07060	62.7
83.04990	21.1
83.08617	27.5
84.65156	3.8
85.02925	30.0
90.24445	3.9
91.05490	40.7
93.07050	61.9
95.04984	29.0
95.08611	41.6
97.02888	10.0
97.06529	11.4
97.10169	5.9
99.04485	5.3
105.07047	38.7
107.04951	18.1
107.08608	45.8
108.08910	4.9
109.06509	6.5
109.10155	15.2
111.08105	6.6
117.07012	13.8
119.08588	28.8
121.06532	10.5
121.10139	20.3
129.07022	10.9
131.08565	15.1
133.10120	16.6
134.10417	4.5
135.08081	5.5
135.11711	45.9
137.09647	4.7
142.07779	5.6
145.10152	37.1
147.11716	20.4
149.09599	4.9
157.10094	9.4
163.11208	65.1
165.12744	6.2
175.11191	14.4
181.12273	10.9
185.09386	3.9
193.12241	36.0
211.13315	61.1
227.12819	99.1
231.24942	3.9
238.02499	3.8
267.15942	32.5
283.15372	76.3
285.17020	92.2
292.19742	4.9
357.06052	4.5
371.35989	4.2
472.43866	4.5
475.26849	29.4
493.21274	6.3
493.28036	100.0
528.27881	7.1
543.17047	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3196
Annotation	Hythiemoside B
Peak:m/z	Relative Intensity
53.03950	0.8
55.01891	0.4
55.05517	1.2
56.96554	0.5
57.07110	0.4
67.05510	2.3
69.03440	1.6
69.07076	1.2
69.87390	0.4
71.05003	0.6
71.55148	0.6
73.02980	0.5
79.05505	2.3
81.03435	1.8
81.07050	2.7
83.05003	0.5
85.02927	1.2
89.03934	0.8
91.05510	2.0
93.07051	4.4
94.07397	0.6
95.04995	1.2
95.08623	1.1
97.02917	0.9
97.06557	1.8
98.97614	0.7
105.03415	1.9
105.07041	2.3
107.05011	1.1
107.08601	4.6
108.08958	1.0
109.02900	0.6
109.06545	0.6
109.10196	1.6
111.04552	0.5
111.08086	0.6
111.11768	0.7
117.03365	2.2
117.07003	0.6
118.03713	0.8
119.04966	0.8
119.08617	1.2
121.10204	1.6
123.04482	1.3
123.11713	0.6
125.09647	0.6
127.03945	0.5
131.08588	0.5
133.10162	0.9
135.04396	0.7
135.07979	0.5
135.11761	1.7
136.12029	0.8
139.03871	1.1
145.02863	5.4
145.06549	0.5
145.10173	1.2
146.03188	2.5
147.04424	4.9
149.06110	0.5
151.03947	0.4
161.13417	0.5
163.03946	1.5
163.11278	1.3
164.11621	0.6
177.05492	10.7
178.05827	6.1
178.07198	0.6
203.05280	3.8
270.05487	1.5
287.05560	1.3
289.09076	1.6
315.04977	4.7
316.05936	0.7
317.24628	0.9
331.08127	10.1
331.11826	0.8
347.21512	0.9
347.25629	14.6
347.29712	0.8
353.43619	0.5
365.18860	0.8
365.26840	1.7
497.31213	0.8
527.32147	100.0
528.32629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.335
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
53.03923	1.1
54.19836	0.6
55.05511	3.5
57.07056	0.8
67.05505	7.9
69.07032	2.8
71.54624	0.9
79.05495	3.9
81.03370	1.0
81.07064	6.9
83.04987	0.7
83.08555	1.9
91.05476	4.8
93.07038	3.7
95.04921	1.2
95.08615	3.5
97.10140	1.3
105.07027	3.6
107.08537	2.4
109.06446	0.6
109.10183	1.3
111.08019	0.6
117.06955	2.5
117.76921	0.6
119.08511	2.3
121.10056	2.1
125.09570	0.9
128.06128	0.9
129.06932	2.6
131.08575	5.1
133.10046	1.6
141.06949	1.2
143.08490	2.4
145.10046	2.7
147.11612	1.8
151.11122	0.7
155.08485	2.3
157.10052	2.4
159.11595	2.2
169.10011	2.2
171.11598	1.7
173.13251	1.1
175.11241	0.7
181.09970	1.2
183.11537	2.1
185.13144	1.4
195.11600	1.3
197.13118	2.1
198.97423	8.8
199.14772	0.8
209.13042	1.0
211.14819	0.8
223.14771	0.8
225.16286	0.7
235.14719	0.8
237.16039	0.6
341.07559	0.7
417.31296	1.6
435.18524	0.9
435.32556	5.8
447.32358	1.5
453.32971	2.2
463.31329	1.4
491.30768	3.1
509.32101	22.5
527.23511	3.6
527.32867	100.0
528.33282	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26817	0.5
55.68701	0.5
56.96552	0.8
57.07065	1.8
59.04988	1.0
65.03928	0.8
65.62189	0.5
67.05495	2.0
69.03426	2.0
69.07072	3.1
69.92590	0.5
70.02945	2.0
70.06587	0.6
71.08667	1.2
72.04520	6.4
73.02012	0.5
73.02908	2.1
76.59447	0.6
79.05495	1.0
81.03397	1.3
81.07065	1.0
83.04948	0.7
85.02910	1.7
85.06545	3.6
86.09711	1.2
87.04475	1.0
87.08088	0.7
90.05559	45.5
91.05472	8.1
93.07054	0.7
95.04988	3.0
96.08122	0.6
97.02895	1.1
98.02425	7.1
98.58546	0.6
98.97588	1.1
99.04489	0.5
100.03957	1.6
103.07615	3.0
105.06999	0.9
107.04969	3.3
107.08614	0.8
109.02888	1.1
113.06037	0.9
116.03464	6.8
119.04946	17.5
123.04491	0.6
124.07596	7.0
127.03960	1.0
128.16411	0.5
128.98563	0.7
142.08623	5.4
147.04417	64.1
152.07022	0.9
160.09700	1.2
161.05956	0.6
163.03908	1.2
166.08615	1.1
174.11269	1.2
177.05373	0.8
182.52249	0.6
184.09709	11.6
202.08838	0.8
202.10751	23.9
220.11813	100.0
221.12212	0.9
221.37880	0.5
291.08835	1.2
309.09491	3.2
468.12625	1.3
470.19052	0.5
528.21198	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	526.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64114	1.7
55.05509	16.1
56.04415	2.0
57.03439	13.9
57.07075	5.0
59.04996	4.2
65.03936	3.6
67.05508	100.0
69.07066	20.4
70.81626	2.2
70.82004	5.4
71.04961	4.4
71.08630	2.9
73.28961	1.9
79.05511	9.4
81.07055	48.0
83.08613	12.3
89.06032	33.4
91.05475	8.2
93.07056	11.9
95.08604	29.1
97.10140	5.2
99.76731	1.8
105.07021	4.0
107.08602	8.4
109.10158	75.1
111.08061	4.7
116.91451	1.7
119.08567	6.1
119.42242	1.8
121.10146	5.2
123.11711	4.8
125.09618	2.5
133.08609	23.1
133.10121	4.5
135.11633	4.1
135.44734	2.0
137.09637	2.8
155.10664	4.7
173.11737	14.9
175.14771	2.1
177.11261	6.4
227.41191	2.0
229.14363	84.2
245.22423	2.7
256.74423	1.8
263.23785	5.6
327.20218	20.3
337.27359	87.3
378.82764	1.9
491.37277	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01870	2.3
55.05497	8.0
56.96570	3.1
57.03427	4.0
57.07076	37.2
61.02921	4.5
62.87057	1.9
67.05501	12.7
69.03427	15.0
69.07056	6.3
71.04999	2.6
71.54242	1.7
71.54681	3.0
79.05489	11.9
81.03429	14.8
81.07057	20.6
83.04962	5.4
83.08591	2.3
85.02907	14.5
85.06544	9.9
91.05480	17.9
93.07040	18.2
95.04963	6.3
95.08611	11.5
97.02902	9.6
97.06506	8.9
97.10144	2.3
98.86481	1.7
98.97557	3.6
103.07584	2.1
105.03383	11.1
105.07048	15.6
107.04966	9.9
107.08600	10.2
109.02889	10.0
109.06480	3.9
109.10146	5.3
111.04445	7.0
111.08108	2.0
115.05462	2.8
117.07003	5.4
119.04937	7.3
119.08567	14.3
121.06495	6.8
121.10152	6.0
123.04431	29.9
123.08048	5.6
123.11703	3.0
125.06005	2.0
127.03936	13.3
127.07545	2.2
128.06219	5.1
129.06998	7.8
130.07858	1.8
131.08586	13.0
132.21411	1.6
133.06549	3.1
133.10136	9.1
135.08055	100.0
135.11685	3.6
137.05992	4.1
137.09543	3.2
139.03873	8.3
141.06947	2.4
143.08553	11.2
144.09384	2.3
145.02821	3.1
145.04967	2.1
145.10115	14.8
147.04411	47.1
147.08025	4.7
147.11659	3.4
149.09631	2.5
149.13216	2.2
151.03864	3.0
151.07507	2.8
155.08589	2.2
156.09372	7.2
157.10120	6.2
159.08049	8.1
159.11699	13.3
161.05946	3.0
161.09587	5.3
163.03894	4.1
163.07478	2.8
163.11153	3.1
165.05476	3.0
165.09151	2.7
167.07076	1.8
169.10110	4.6
171.11726	8.5
172.08810	8.8
173.09584	18.2
175.07593	3.6
175.11217	5.9
177.05479	7.4
177.09050	2.8
178.05858	2.4
181.10239	2.6
183.11702	2.5
184.08763	2.1
187.09525	3.4
187.11186	51.4
189.12737	2.5
191.10617	1.8
195.11742	2.1
199.11243	11.2
201.12642	2.6
203.10637	15.4
211.09575	2.0
212.08362	3.0
215.10675	30.4
217.12218	7.0
219.10217	3.3
227.10661	6.8
229.08617	2.8
229.10707	13.3
231.10042	1.8
233.11720	67.9
235.92737	1.9
245.11739	39.7
247.11861	12.5
263.12787	55.1
273.18512	6.8
289.08813	2.9
347.18423	2.4
347.22165	19.6
527.18420	2.9
527.31219	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	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	20.9
55.05516	42.5
57.03432	22.1
61.02927	12.6
65.82586	6.4
67.05233	6.5
67.05511	70.7
69.03421	30.2
69.07054	28.0
69.46517	12.8
69.46903	43.3
71.05009	9.0
73.02899	15.0
79.05499	55.4
81.03428	44.6
81.07064	58.7
83.08620	24.6
85.02908	35.7
91.03966	7.5
91.05486	39.5
93.07044	41.6
95.04967	26.3
95.08620	27.2
97.02934	36.8
97.06561	15.0
97.10159	25.6
99.04440	10.3
103.03993	8.0
105.07025	29.5
107.04955	14.1
107.08597	34.8
109.02900	8.1
109.06509	10.7
109.10159	44.9
110.38731	6.1
111.08083	11.1
117.07028	10.4
119.04965	7.6
119.08575	26.1
120.14072	7.0
121.06517	10.7
121.10152	17.8
123.08062	12.9
125.09590	18.8
127.03930	11.7
129.07007	11.8
131.08588	13.8
133.06517	7.4
133.10118	26.7
135.08080	13.3
135.11681	14.9
137.05927	6.7
143.08566	6.7
145.10150	15.6
147.04425	17.0
147.08058	10.5
147.11713	7.7
151.11211	8.5
157.10178	10.2
161.09616	7.4
163.11188	17.6
169.10155	7.9
173.11754	10.4
175.11252	7.8
185.35780	8.5
189.11217	15.6
193.12221	18.5
211.13358	11.2
223.13342	20.1
227.12726	12.5
227.89246	6.9
229.14311	8.2
262.77682	6.8
273.18530	24.9
283.15335	13.1
291.19540	100.0
347.22070	9.5
365.23419	36.5
509.27066	11.0
527.27979	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70612	4.5
53.03937	10.0
53.71339	4.1
55.05515	35.0
57.03424	18.1
67.05506	71.3
69.07050	19.9
71.04981	5.5
71.54961	6.4
71.59467	4.5
79.05495	81.2
81.03422	64.6
81.07058	63.4
83.04985	25.0
83.08614	24.2
85.02901	25.1
85.06519	4.5
91.05483	91.5
93.06478	6.8
93.07046	83.1
95.04967	33.6
95.08617	26.1
97.06550	5.2
99.08090	5.8
105.07038	61.8
107.04931	15.9
107.08598	24.7
109.10128	8.7
111.08103	11.3
117.07009	9.6
119.08591	45.1
121.06516	5.5
121.10133	12.7
129.06984	23.3
131.08551	16.1
133.10143	18.7
135.11635	5.8
143.08600	11.2
145.10121	13.3
147.11703	41.9
149.09663	7.3
157.10097	14.8
161.09573	5.8
161.13269	14.6
168.07593	4.8
171.11694	27.7
175.11185	10.3
189.12724	11.8
193.12222	43.6
193.94106	4.3
204.05823	5.5
207.13788	33.5
211.13324	44.4
267.15906	30.0
281.17459	90.8
283.78995	5.1
285.16977	43.2
301.28229	4.5
355.58655	4.8
384.13358	4.8
473.28940	89.4
491.23474	7.8
491.30060	100.0
514.93896	5.2
526.36023	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.60371	0.4
55.05503	1.4
56.96557	0.7
57.03416	0.4
57.07072	0.4
67.05515	2.5
68.60342	0.4
69.03419	1.4
69.07064	1.6
69.37985	2.6
69.38396	1.0
71.04980	1.1
79.05490	2.7
81.03408	1.5
81.07050	4.5
82.18311	0.4
83.04953	0.7
85.02899	2.1
85.06561	1.0
91.05483	8.4
93.07049	3.1
95.04980	0.9
95.08587	2.0
97.02870	1.1
97.06560	1.0
97.10152	0.7
98.97614	0.9
99.04449	0.5
103.05474	1.2
105.03381	1.4
105.07031	9.3
107.04958	1.4
107.08590	2.2
109.02883	0.8
109.06535	0.9
109.10149	1.6
115.05444	1.3
116.06216	1.5
117.07027	2.9
119.04942	1.2
119.07801	0.9
119.08591	10.8
121.10159	1.2
122.09632	0.7
123.11692	0.6
124.03999	0.5
127.03939	0.9
128.06219	1.6
129.07011	6.5
130.07788	2.7
131.04947	1.4
131.08569	20.4
133.10126	6.9
135.08080	0.5
135.11684	1.0
137.05968	0.7
139.03918	5.5
140.04236	1.8
142.07756	0.5
143.08568	15.5
144.09358	4.3
145.02858	1.9
145.10120	12.1
147.04425	4.8
147.07985	0.6
147.11655	1.2
149.09622	0.7
151.11201	0.8
156.09302	0.7
157.10132	0.7
158.08188	0.5
158.10915	14.2
161.09593	1.4
163.11145	1.1
171.11639	0.6
173.13268	100.0
174.13618	0.6
175.14850	5.7
177.05481	4.7
189.09068	0.5
191.14294	2.2
219.10255	0.5
242.76878	0.5
248.89723	0.4
289.08853	0.5
351.14352	0.8
440.60263	0.5
526.26642	6.7
527.28607	0.7
551.04620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.3
51.02372	0.5
53.03952	2.2
55.01863	0.5
55.05505	0.3
57.03435	0.3
57.07079	13.4
65.03947	0.2
67.05499	0.4
69.03433	2.8
69.07078	0.3
71.04990	0.3
71.57117	0.4
73.02907	0.3
77.03933	0.5
79.05498	6.6
80.44115	0.2
81.03425	5.4
81.07019	0.4
83.04978	0.2
84.74613	0.2
85.02425	0.4
85.02908	4.3
85.06537	2.5
91.05476	0.8
93.07036	0.7
95.04977	1.9
95.08611	0.5
97.02892	3.3
97.06534	0.8
99.04462	0.7
101.02320	0.2
103.03947	1.5
103.07603	1.1
104.07537	0.2
105.04539	0.6
105.07001	0.5
107.04961	100.0
107.08605	0.8
108.04472	0.2
108.05299	0.4
108.09016	0.2
109.02889	4.7
109.10159	0.5
111.04469	0.2
111.08086	0.3
114.52504	0.2
115.03961	0.3
119.04932	0.6
119.08640	0.2
121.06518	0.6
121.10128	0.4
122.10522	0.2
123.04457	0.5
124.07629	0.3
127.03922	4.4
128.06253	0.6
129.06993	0.3
131.04958	0.6
131.08514	0.4
133.10143	0.5
135.04419	0.5
135.11694	0.7
139.03885	1.6
140.04248	0.4
141.06993	0.3
143.03403	0.3
143.08540	0.6
145.02878	0.8
145.04997	1.6
145.06494	0.5
145.08594	0.3
147.04427	0.6
147.11639	0.3
149.06013	0.5
153.07060	0.4
159.08101	0.7
161.05971	0.7
169.06483	0.7
173.05997	0.5
177.05455	1.8
185.05957	0.9
187.07623	1.6
187.09541	1.3
190.39230	0.2
191.07056	0.5
191.10657	0.6
197.05980	0.7
203.07062	0.5
211.09662	12.4
215.07037	8.7
219.10156	0.4
229.10707	4.6
233.08148	0.7
247.11786	6.4
260.20883	0.3
261.02942	0.2
277.21628	0.5
278.22021	0.9
285.10193	0.3
317.13834	2.1
335.15018	1.4
353.15878	0.7
370.13751	0.3
526.14313	0.5
526.30756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.60371	0.4
55.05503	1.4
56.96557	0.7
57.03416	0.4
57.07072	0.4
67.05515	2.5
68.60342	0.4
69.03419	1.4
69.07064	1.6
69.37985	2.6
69.38396	1.0
71.04980	1.1
79.05490	2.7
81.03408	1.5
81.07050	4.5
82.18311	0.4
83.04953	0.7
85.02899	2.1
85.06561	1.0
91.05483	8.4
93.07049	3.1
95.04980	0.9
95.08587	2.0
97.02870	1.1
97.06560	1.0
97.10152	0.7
98.97614	0.9
99.04449	0.5
103.05474	1.2
105.03381	1.4
105.07031	9.3
107.04958	1.4
107.08590	2.2
109.02883	0.8
109.06535	0.9
109.10149	1.6
115.05444	1.3
116.06216	1.5
117.07027	2.9
119.04942	1.2
119.07801	0.9
119.08591	10.8
121.10159	1.2
122.09632	0.7
123.11692	0.6
124.03999	0.5
127.03939	0.9
128.06219	1.6
129.07011	6.5
130.07788	2.7
131.04947	1.4
131.08569	20.4
133.10126	6.9
135.08080	0.5
135.11684	1.0
137.05968	0.7
139.03918	5.5
140.04236	1.8
142.07756	0.5
143.08568	15.5
144.09358	4.3
145.02858	1.9
145.10120	12.1
147.04425	4.8
147.07985	0.6
147.11655	1.2
149.09622	0.7
151.11201	0.8
156.09302	0.7
157.10132	0.7
158.08188	0.5
158.10915	14.2
161.09593	1.4
163.11145	1.1
171.11639	0.6
173.13268	100.0
174.13618	0.6
175.14850	5.7
177.05481	4.7
189.09068	0.5
191.14294	2.2
219.10255	0.5
242.76878	0.5
248.89723	0.4
289.08853	0.5
351.14352	0.8
440.60263	0.5
526.26642	6.7
527.28607	0.7
551.04620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01864	0.8
55.05497	0.9
56.96548	0.3
65.03933	1.0
67.05490	1.2
68.99804	1.6
69.03416	1.3
69.07059	1.1
69.56347	0.6
69.56766	1.3
71.05005	0.4
78.74275	0.3
79.05491	0.9
81.03447	0.7
81.07057	1.5
83.04968	1.0
83.08585	0.4
85.02908	0.5
91.05457	1.5
93.03418	0.9
93.07027	0.9
95.04975	0.7
95.08595	1.0
97.02879	1.0
97.06518	0.7
98.97596	0.7
103.05473	0.4
105.03395	2.0
105.07014	1.4
107.04966	1.5
107.08548	0.7
109.02898	0.5
109.06541	0.3
109.10171	0.7
111.00797	1.0
111.04440	4.0
115.05466	0.4
119.08578	0.8
121.02898	0.4
121.10137	0.8
123.04424	1.8
127.03925	0.9
128.33704	0.3
129.07005	0.7
131.04927	0.9
131.08546	0.3
133.10139	0.7
135.04456	0.5
135.11699	0.4
137.06006	0.6
139.03908	100.0
142.42947	0.3
143.08620	0.6
145.10124	0.6
147.04416	1.6
149.05988	1.3
151.03862	0.8
153.05504	0.8
153.06845	0.3
155.03413	0.8
157.06468	0.3
159.08049	0.4
160.05247	1.0
161.05991	2.2
163.03943	2.5
163.07687	0.4
163.11263	0.7
165.05504	0.5
165.09143	0.4
167.07031	0.3
169.10173	0.4
171.08119	0.4
173.05984	0.9
173.09633	0.6
175.07542	1.6
177.05524	1.4
177.09108	0.4
179.03387	0.7
181.05014	0.4
183.07993	0.4
186.06772	0.4
187.07509	0.5
189.05580	0.5
189.09119	1.9
191.10692	1.3
197.09676	0.6
199.07559	0.5
201.05449	0.7
201.09113	2.5
203.10693	0.5
210.06708	0.4
215.10683	1.2
217.08606	0.7
219.10185	3.7
225.09137	0.6
229.12247	0.5
231.10167	3.1
231.46677	0.3
243.10219	1.4
267.10086	0.7
279.06656	0.3
287.07480	0.3
295.06119	1.0
309.07925	0.4
313.07059	0.9
325.10641	0.5
347.25665	0.5
351.12173	2.3
369.13339	2.0
412.15054	0.3
419.21701	0.4
525.22687	2.1
525.29852	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	525.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16804	0.6
53.03951	0.9
55.01862	1.9
55.05510	1.1
56.96550	0.9
57.03439	0.9
59.29298	0.6
61.54318	0.5
63.09531	0.5
65.03955	0.8
67.05503	3.5
68.99792	2.0
69.03418	2.0
69.07071	7.5
70.83725	0.6
71.56833	0.8
79.05494	8.3
81.03448	0.8
81.07053	2.2
83.04972	1.7
83.08615	0.9
91.05479	2.0
93.03407	1.0
93.07034	1.7
95.04952	1.5
95.08601	1.4
97.02896	1.3
97.06535	41.2
105.07021	1.4
105.84319	0.6
107.04945	1.9
107.08605	0.8
109.06517	0.7
109.10160	1.4
111.04443	5.0
111.07997	0.7
119.04969	0.6
119.08588	1.2
121.10111	0.7
123.04432	36.5
131.04932	1.0
132.77837	0.5
133.06544	0.8
133.10059	0.8
135.04417	2.0
135.08110	0.7
139.03903	100.0
140.04189	0.6
143.08615	1.0
145.10121	1.0
147.04379	3.9
149.06055	0.8
151.03922	0.9
161.05963	6.9
163.03903	12.1
163.11348	0.6
165.05463	0.7
167.06947	0.7
173.79715	0.6
175.07611	1.1
179.75137	0.6
187.44806	0.7
189.09267	1.3
201.09177	1.8
208.77901	0.6
217.08601	6.7
219.10167	56.8
227.07092	0.7
243.10170	2.4
255.06403	0.7
261.11307	4.0
269.08121	1.0
272.06845	1.0
273.07651	1.0
287.05579	2.8
299.03351	0.7
315.04950	1.7
325.10782	1.0
351.12189	1.2
367.11633	0.8
369.13336	27.0
401.55869	0.8
525.14154	3.4
525.30774	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	525.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01864	0.8
55.05497	0.9
56.96548	0.3
65.03933	1.0
67.05490	1.2
68.99804	1.6
69.03416	1.3
69.07059	1.1
69.56347	0.6
69.56766	1.3
71.05005	0.4
78.74275	0.3
79.05491	0.9
81.03447	0.7
81.07057	1.5
83.04968	1.0
83.08585	0.4
85.02908	0.5
91.05457	1.5
93.03418	0.9
93.07027	0.9
95.04975	0.7
95.08595	1.0
97.02879	1.0
97.06518	0.7
98.97596	0.7
103.05473	0.4
105.03395	2.0
105.07014	1.4
107.04966	1.5
107.08548	0.7
109.02898	0.5
109.06541	0.3
109.10171	0.7
111.00797	1.0
111.04440	4.0
115.05466	0.4
119.08578	0.8
121.02898	0.4
121.10137	0.8
123.04424	1.8
127.03925	0.9
128.33704	0.3
129.07005	0.7
131.04927	0.9
131.08546	0.3
133.10139	0.7
135.04456	0.5
135.11699	0.4
137.06006	0.6
139.03908	100.0
142.42947	0.3
143.08620	0.6
145.10124	0.6
147.04416	1.6
149.05988	1.3
151.03862	0.8
153.05504	0.8
153.06845	0.3
155.03413	0.8
157.06468	0.3
159.08049	0.4
160.05247	1.0
161.05991	2.2
163.03943	2.5
163.07687	0.4
163.11263	0.7
165.05504	0.5
165.09143	0.4
167.07031	0.3
169.10173	0.4
171.08119	0.4
173.05984	0.9
173.09633	0.6
175.07542	1.6
177.05524	1.4
177.09108	0.4
179.03387	0.7
181.05014	0.4
183.07993	0.4
186.06772	0.4
187.07509	0.5
189.05580	0.5
189.09119	1.9
191.10692	1.3
197.09676	0.6
199.07559	0.5
201.05449	0.7
201.09113	2.5
203.10693	0.5
210.06708	0.4
215.10683	1.2
217.08606	0.7
219.10185	3.7
225.09137	0.6
229.12247	0.5
231.10167	3.1
231.46677	0.3
243.10219	1.4
267.10086	0.7
279.06656	0.3
287.07480	0.3
295.06119	1.0
309.07925	0.4
313.07059	0.9
325.10641	0.5
347.25665	0.5
351.12173	2.3
369.13339	2.0
412.15054	0.3
419.21701	0.4
525.22687	2.1
525.29852	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	525.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29871	0.4
55.79404	0.4
56.96571	5.8
67.45340	0.5
69.36588	1.0
69.36992	3.4
71.95264	1.5
91.88571	0.5
92.65905	0.5
98.97585	100.0
105.70282	0.5
116.98624	47.8
134.99658	14.8
140.00203	1.4
153.00685	1.1
158.01216	0.7
158.23369	0.6
174.97545	0.6
181.97520	0.6
214.95729	0.6
216.98819	2.4
219.01976	1.0
232.96611	1.0
234.99881	2.9
240.98672	10.0
241.01100	0.6
250.97734	0.7
256.96725	3.7
257.96863	1.7
258.99792	95.8
259.99976	2.3
261.03061	3.6
274.97647	9.2
275.97891	2.0
277.00827	83.9
278.01138	1.5
279.00687	1.2
280.96756	0.7
282.01382	2.4
282.99982	14.9
284.00143	1.5
284.99905	1.0
288.92050	0.8
292.98706	2.1
295.01770	0.6
298.97769	6.9
299.97879	4.2
300.02435	2.5
300.97739	1.2
301.01050	12.8
302.01239	1.9
303.01218	0.9
314.96024	0.7
316.98917	7.4
317.99005	2.9
318.98718	1.3
319.02182	0.8
340.99023	2.0
359.00095	5.1
364.99222	0.9
374.98056	0.7
382.99915	27.5
384.00131	1.1
401.01010	84.6
402.01160	2.2
403.00879	0.6
407.00443	0.6
416.98999	1.0
417.98822	0.8
418.97488	0.6
419.02206	10.7
423.97595	0.8
424.02756	3.8
425.01309	1.7
434.98425	0.6
440.99103	3.7
441.99069	5.2
443.02591	2.5
458.99878	2.2
460.00177	4.5
460.99548	0.6
483.05359	1.7
484.00302	0.8
500.99170	0.5
506.49066	0.8
507.00204	2.9
525.01215	48.1
526.01324	1.2
542.98669	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.05515	22.5
57.07069	0.8
67.05495	1.8
69.03433	15.5
69.07072	2.0
69.60475	4.4
71.05002	1.0
79.05494	3.7
79.87745	0.6
81.03423	1.9
81.07054	5.3
83.04984	100.0
83.08613	1.1
84.96028	1.0
85.02920	1.9
86.09718	1.3
91.05523	1.5
93.07059	2.7
95.04958	1.4
95.08591	3.8
96.08932	0.9
97.02877	3.6
97.06555	0.9
97.10178	0.7
98.97597	0.9
99.04445	1.0
101.06009	1.8
105.03393	8.2
105.07031	2.1
106.02945	1.1
106.03757	0.6
107.04960	37.0
107.08616	2.3
109.02906	2.4
109.10169	1.9
110.10554	0.8
119.04983	1.5
119.08601	2.2
121.10217	1.3
123.04469	0.6
123.11725	1.4
124.03954	4.4
127.03920	12.6
131.04935	1.0
133.10152	1.3
135.11705	2.5
137.05960	1.0
145.02859	1.1
147.04445	2.8
147.11775	1.2
149.13210	0.8
153.05545	0.6
161.09660	2.0
166.86826	0.6
177.05559	1.4
179.91972	0.6
184.07358	4.2
203.18036	1.6
209.08109	3.6
227.09138	6.9
235.02974	0.7
241.58868	0.8
245.10222	47.3
268.08301	2.2
286.09320	1.8
306.83176	0.6
308.26865	1.1
506.40948	0.7
524.20123	0.9
524.29211	4.0
525.30115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3714
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05507	0.9
56.05029	1.2
57.03443	0.6
57.07076	3.8
58.04105	0.3
58.06575	1.4
59.07378	0.4
60.08163	18.0
67.05503	1.4
69.07060	0.7
69.30064	0.3
71.07379	6.7
71.08635	2.1
79.05493	0.3
81.03432	0.9
81.07042	1.0
83.08612	0.9
85.10179	1.2
86.09705	51.8
93.07038	0.4
95.04961	0.4
95.08605	1.7
97.10169	0.3
98.98476	3.7
104.10743	100.0
109.10150	0.8
119.08556	0.5
123.11673	0.3
125.00005	29.0
156.60478	0.3
163.01512	0.5
184.07336	100.0
185.07576	0.3
193.12300	0.4
258.11090	0.8
268.16302	0.5
341.30515	1.6
506.35995	9.2
524.37079	39.5
525.37665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40659	0.9
53.03949	2.7
55.05514	15.4
56.05266	0.7
57.03182	1.3
57.03440	13.4
57.07075	3.1
59.05003	3.1
61.93557	0.9
62.80573	0.8
65.03941	3.0
67.05508	100.0
68.05817	0.9
69.03450	0.9
69.07066	8.6
71.04989	3.6
71.08640	1.5
71.37799	1.9
79.05498	21.8
81.03416	2.7
81.07060	40.7
83.04967	1.2
83.08617	10.5
85.06544	2.9
87.04470	2.2
91.05483	14.9
92.25511	0.9
93.07048	25.2
95.04978	3.0
95.08616	26.5
97.06504	1.1
99.08080	1.0
105.04514	1.2
105.07020	7.5
107.08594	13.3
107.61714	1.0
109.06525	0.9
109.10161	73.4
111.08080	2.7
117.07014	3.0
119.08597	9.7
121.10147	10.6
123.11731	4.1
125.09681	1.1
127.11220	0.9
131.08566	6.8
133.10139	5.7
135.11723	7.9
137.09619	3.5
137.13239	1.7
145.10127	2.9
147.11685	3.2
149.09619	0.9
149.13264	4.6
155.10643	4.9
159.11690	2.4
161.13251	2.5
161.62164	0.9
163.14815	3.4
173.11774	20.1
173.13272	2.5
175.14885	1.2
187.14876	1.0
193.12225	1.9
227.12692	2.1
229.14359	73.8
243.21107	3.7
261.22156	11.0
267.15945	2.1
268.16141	1.5
313.27347	1.5
314.27783	1.5
317.24939	1.8
335.25815	74.6
443.35254	3.2
489.35785	44.1
506.39096	2.1
507.37097	1.2
508.75284	0.9
520.75769	0.9
524.34003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01870	0.9
55.05511	11.4
57.03427	4.9
57.07076	30.3
65.03928	1.2
67.05506	19.4
69.03429	2.0
69.07066	8.4
71.05000	1.9
71.08235	1.0
71.08630	18.7
71.57887	0.8
74.37471	0.7
79.05488	10.0
81.03419	31.8
81.07056	22.9
83.04983	5.8
83.08617	21.5
85.02906	13.8
85.06561	1.7
85.10182	11.3
86.00203	0.7
89.27417	0.8
91.05492	11.7
93.07039	8.4
95.04977	10.8
95.08607	22.9
97.02928	0.9
97.06528	1.5
97.10178	5.9
99.11755	0.8
105.07027	11.3
107.04966	2.9
107.08592	4.0
109.06500	1.8
109.10160	9.9
111.04436	1.5
111.08077	4.5
117.07008	1.1
119.08574	9.1
121.10127	4.8
123.08108	1.1
123.11669	4.5
125.09663	1.2
129.06993	4.0
131.08580	5.5
133.06505	1.7
133.10118	2.6
135.23598	0.8
137.09663	1.1
137.13258	1.2
147.08081	2.1
147.11674	7.3
149.09622	3.6
151.14819	1.0
157.10164	6.4
165.12840	1.4
175.11192	6.9
193.12248	25.3
211.13290	33.0
224.39508	0.9
224.41638	0.8
239.23669	5.6
267.15906	6.9
313.27271	6.6
505.38965	4.3
523.40027	100.0
524.40552	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01886	2.7
55.05516	11.3
57.03442	18.5
57.07080	39.1
65.74030	2.1
67.05515	31.9
69.07076	16.1
69.33120	17.7
71.05004	2.1
71.08635	29.6
79.05493	16.8
81.03420	87.7
81.07061	33.7
83.04985	3.8
83.08617	24.4
85.02934	3.4
85.06537	2.4
85.10186	14.3
91.05481	17.8
93.07043	14.2
95.04977	22.6
95.08617	27.9
97.06540	2.8
97.10182	6.6
104.10719	3.3
105.07030	15.4
107.04974	6.4
107.08600	7.0
109.06512	4.5
109.10173	17.3
111.08083	5.2
111.11695	3.0
113.06024	1.9
114.52129	2.4
117.06967	2.1
119.08596	15.7
120.92615	1.9
121.06501	2.0
121.10158	9.6
123.08133	2.3
123.11742	5.1
129.06975	10.0
131.08594	7.3
133.06526	3.9
133.10153	6.0
135.11661	2.4
137.13219	2.8
140.26256	1.9
147.08043	4.8
147.11714	8.3
157.10172	6.6
173.11792	2.7
175.11179	9.7
179.14330	2.5
193.12270	40.7
211.13338	7.6
229.14423	3.6
239.23709	5.6
249.14879	5.3
259.24243	3.7
267.15927	100.0
269.59305	1.9
313.27380	84.2
443.35199	8.4
446.05377	1.8
505.39130	52.5
519.39801	1.9
523.23981	11.6
523.31543	3.2
523.39886	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01863	1.0
55.05514	10.5
55.63701	0.8
57.03445	4.3
57.07076	27.7
62.71816	0.7
67.05505	17.6
69.03423	1.7
69.07064	7.6
69.23513	0.7
69.99047	2.8
71.04977	3.3
71.08633	19.4
79.05494	9.3
81.03416	29.9
81.07056	20.9
83.05001	4.6
83.08620	15.7
84.14787	0.7
84.38096	0.8
85.02444	0.9
85.02912	13.5
85.06556	1.5
85.10183	11.1
85.19151	0.7
91.05481	13.5
93.07046	8.8
95.04973	10.6
95.08607	20.7
97.02930	1.6
97.06525	1.6
97.10167	5.3
98.21465	1.0
105.07024	9.8
107.04968	2.6
107.08608	2.2
109.06508	1.1
109.10151	7.6
111.08073	3.8
111.11770	0.9
113.05975	0.7
117.06975	1.0
117.72649	0.8
119.08582	7.2
119.51925	0.9
121.06470	0.9
121.10132	4.4
123.08109	0.9
123.11681	4.0
125.13189	0.8
129.07018	4.9
131.08577	4.0
133.10153	2.2
137.09612	0.9
137.13293	1.5
142.07771	1.1
145.10118	1.2
147.08081	1.2
147.11693	5.5
149.09622	2.4
157.10133	6.2
165.12813	1.7
175.11198	6.7
193.12234	25.2
198.66426	0.8
209.15848	1.0
211.13293	34.0
221.22725	1.0
239.23706	5.0
267.15915	6.3
313.27390	6.7
413.29004	0.8
481.27777	0.8
505.38898	3.6
523.39954	100.0
524.40344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01871	0.7
55.05517	3.1
57.03431	3.8
57.07077	8.2
60.08155	0.5
62.89532	0.5
67.05508	6.5
69.03441	0.6
69.07080	2.5
69.52621	2.7
71.04984	0.6
71.08634	6.8
73.06554	0.7
74.03783	0.5
74.32654	0.4
79.05497	3.4
81.03422	19.5
81.07066	8.2
83.04959	1.2
83.08614	7.1
85.02901	0.7
85.10190	3.8
86.09718	0.9
91.05487	4.3
93.07052	3.1
95.04976	3.5
95.08615	6.8
97.02879	0.6
97.10189	1.2
104.10732	2.0
105.07042	2.7
107.04941	1.3
107.08602	1.8
109.06548	0.7
109.10158	4.0
111.08076	1.1
119.08601	2.8
120.21312	0.4
121.10163	1.9
123.11694	1.4
124.99982	0.8
129.07018	2.1
131.08568	1.8
133.06525	0.8
133.10176	1.3
135.11743	0.5
137.13319	0.6
145.10175	0.5
147.08064	0.5
147.11716	1.5
149.09656	0.8
154.94191	0.5
157.10176	2.0
175.11234	1.9
179.14362	1.0
184.07327	2.3
193.12251	9.6
211.13286	2.1
229.14558	0.7
239.23776	1.9
267.15918	18.0
277.21716	1.3
279.76825	0.5
313.27371	19.0
364.05338	0.4
461.30569	0.5
479.31396	6.0
495.31113	1.5
505.28250	0.6
505.39203	10.7
523.30371	100.0
523.39307	6.0
524.30499	1.2
524.37219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01853	1.6
55.05514	11.3
57.03442	5.5
57.07076	30.0
65.03937	1.0
67.05509	21.9
69.03429	1.2
69.07067	9.3
71.04984	3.6
71.08632	21.4
79.05492	9.9
81.03423	27.9
81.07058	23.7
83.04980	5.4
83.08618	17.9
85.02907	14.1
85.06552	1.0
85.10188	11.4
85.44210	0.7
91.05489	14.7
93.07041	8.1
95.04965	9.8
95.08611	19.7
97.02863	1.9
97.06526	1.9
97.10164	6.9
98.21535	1.5
99.08106	0.8
100.55671	0.8
105.07035	10.5
107.04957	2.0
107.08603	4.4
109.06511	2.6
109.10171	9.3
111.04429	1.1
111.08065	5.0
111.11727	1.4
112.17180	0.9
113.06033	1.3
115.05540	0.9
117.06991	1.2
119.08572	8.5
121.06522	0.8
121.10139	5.1
123.08092	1.4
123.11684	4.9
129.07034	4.9
131.08537	5.5
133.10132	5.0
136.93111	2.3
137.13257	1.5
141.64865	0.8
142.07784	1.7
145.10086	1.2
147.08051	1.5
147.11696	6.8
147.81406	0.8
149.09642	2.5
154.94203	3.2
157.10107	6.0
165.12830	1.6
168.41554	0.7
172.95212	5.1
175.11177	6.3
182.21297	0.7
190.96300	1.8
193.12241	31.1
195.96909	1.0
210.97615	1.2
211.13292	34.2
228.97899	1.9
239.23679	5.2
260.05911	0.9
267.15903	9.5
270.08179	0.9
307.92114	0.9
313.27405	11.3
467.21304	1.3
505.38840	7.2
523.23901	5.8
523.39978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61752	2.2
52.97409	2.4
53.03939	3.2
55.01873	3.1
55.05510	18.2
56.96573	3.0
57.03426	4.9
57.07063	8.0
58.12361	2.9
67.05513	21.4
69.03423	7.3
69.07071	100.0
70.06580	2.7
71.04994	10.9
71.08608	4.1
71.57082	4.4
73.02901	2.8
79.05501	14.5
81.03401	7.0
81.07057	81.3
83.04992	3.3
83.08605	11.7
84.90303	2.7
84.96039	2.6
85.02916	15.7
85.06547	14.9
91.05485	18.1
93.07050	29.7
95.04960	9.4
95.08604	57.0
97.02894	5.3
97.06527	12.4
97.10166	5.1
98.97588	5.0
99.04433	5.0
99.08087	6.0
101.06078	2.9
105.07027	23.4
107.04951	36.1
107.08601	31.8
109.02888	5.4
109.06511	7.4
109.10155	46.8
111.08078	5.8
111.11711	26.7
117.07047	2.6
119.04957	5.3
119.08567	15.9
121.02921	3.1
121.06472	4.5
121.10146	25.8
123.04446	6.9
123.11713	49.5
125.09594	3.3
127.03900	6.9
127.11188	7.0
129.81282	2.5
130.84161	2.8
131.08499	6.3
133.10144	14.9
135.04732	3.2
135.08029	3.8
135.11700	13.6
137.05984	9.1
137.09596	5.0
137.13263	10.1
139.03906	7.8
139.11217	18.4
145.02817	4.6
145.10156	4.0
147.04439	22.9
147.11665	13.1
149.13275	12.0
151.03970	5.5
151.11183	6.1
151.14902	6.3
153.05701	5.1
153.12782	3.5
157.20920	2.9
159.11682	7.8
161.13245	9.3
163.03961	5.7
163.11189	7.1
163.14757	4.9
164.04268	3.7
164.11499	5.5
165.09084	5.7
165.12804	8.7
167.07016	3.0
169.04987	5.5
173.13281	4.1
175.14804	5.4
177.05472	10.3
179.07057	4.1
179.14322	6.4
187.14813	2.6
203.18044	3.0
259.24249	4.1
263.23700	3.4
265.72238	3.1
271.24155	7.7
275.09171	10.8
277.25137	5.0
278.69553	3.1
289.25262	17.1
295.26324	38.7
307.26346	80.4
313.27432	7.4
325.27261	23.5
343.28464	7.0
454.72000	2.6
523.18127	12.9
523.31848	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
54.63840	1.1
55.01875	1.8
55.05511	9.2
55.10651	1.1
57.03447	5.2
57.07079	29.0
65.03954	1.3
67.05507	20.3
69.03436	1.8
69.07067	9.0
69.18905	9.4
71.04992	2.3
71.08636	19.1
79.05491	10.2
81.03423	28.1
81.07059	25.2
83.04992	4.7
83.08616	18.5
85.02907	15.2
85.06521	1.2
85.10185	11.4
91.05482	12.8
93.07037	7.6
93.77431	0.9
95.04967	11.5
95.08610	22.4
97.06528	2.0
97.10180	3.6
105.07029	9.6
107.04967	2.2
107.08608	3.0
109.06519	2.0
109.10146	7.0
111.04487	1.3
111.08080	5.9
113.05984	1.9
116.42220	1.0
119.08582	7.3
121.10152	4.1
123.08070	1.3
123.11718	4.1
123.13890	0.9
129.07016	2.7
131.08551	5.3
133.06589	1.2
133.10136	4.1
137.13223	1.1
147.11694	5.2
149.09627	4.2
157.10094	5.8
165.12794	1.9
165.16504	1.3
175.11182	5.4
193.12259	28.5
211.13303	34.5
211.15308	2.0
239.23796	4.8
240.12714	0.9
243.58044	0.9
267.15897	7.4
311.90521	1.1
313.27234	4.6
447.12524	1.1
505.39038	4.9
523.39978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37294	0.6
55.05340	2.9
55.05642	4.9
57.06941	1.1
57.07172	1.2
58.81834	0.7
60.19590	0.6
67.05305	4.0
67.05715	4.0
69.06866	6.3
69.07290	5.3
69.37501	6.0
71.08823	0.7
79.05276	2.8
79.05775	1.7
81.06833	10.9
81.07373	6.2
83.04752	3.0
83.05290	1.4
83.08401	3.4
83.08939	1.3
85.06352	1.6
85.06885	1.4
87.04321	1.3
91.05235	3.2
91.05860	1.8
93.06797	9.5
93.07460	3.5
95.08366	25.8
95.09045	9.7
97.06370	1.2
97.09915	3.0
97.10591	1.3
99.07887	1.4
101.05764	7.7
101.06496	2.4
104.10566	1.0
105.06772	8.6
105.07561	2.4
107.08338	15.7
107.09145	4.6
109.09895	18.3
109.10736	4.8
111.07821	2.4
111.11445	3.5
111.12250	1.7
113.09426	1.6
113.60089	0.8
117.06787	1.1
119.08305	11.6
119.09237	2.4
121.09870	35.2
121.10848	7.2
123.07928	0.9
123.11424	10.9
123.12418	2.2
125.09381	0.9
129.05197	7.3
129.06839	0.7
131.08250	2.6
133.09843	13.6
133.10948	2.3
135.11403	11.9
135.12535	1.6
136.92918	1.7
137.12976	6.9
137.14117	1.6
139.10886	4.3
143.08324	1.4
145.09819	6.2
147.11395	9.3
147.12633	1.2
149.09357	0.9
149.12958	9.0
151.10835	0.8
154.93831	2.3
157.08302	0.8
157.09920	1.3
157.11975	1.0
159.11371	6.5
161.12953	10.3
163.10991	1.4
163.14520	22.6
163.16035	2.1
165.08824	2.0
165.12560	1.5
167.10468	1.3
171.11404	2.3
171.12743	0.7
172.94989	1.1
173.09483	0.9
173.12964	5.8
175.10959	0.8
175.14520	20.9
175.16159	1.6
177.16173	1.7
179.10403	1.6
179.14113	0.8
181.12007	0.9
184.07193	1.1
185.11420	18.6
185.13112	3.4
187.14510	12.0
187.16269	0.9
189.12566	1.2
189.16084	8.5
193.11943	2.3
197.13179	0.9
199.14655	0.9
201.16368	5.8
203.17705	3.1
207.13623	0.8
213.16081	2.8
215.14073	1.6
215.17952	3.6
217.19279	1.7
219.13611	0.8
227.17908	3.6
229.19533	6.6
231.20757	2.5
241.19276	2.8
243.21034	3.8
245.22346	0.9
255.20729	2.4
257.22656	26.8
259.24213	16.1
267.20883	0.9
269.22409	2.2
271.24237	11.2
275.20526	0.9
275.23679	7.1
281.22437	1.1
283.24246	3.6
285.21820	2.9
285.25378	1.8
287.19879	1.6
301.21652	3.7
303.23193	67.0
315.23117	4.3
329.24564	2.1
347.25800	5.4
349.23492	2.0
351.30368	0.8
353.31851	1.5
359.25641	1.7
379.33456	5.2
397.30939	6.3
397.35193	0.9
423.32599	10.1
441.33771	14.4
443.35248	23.8
469.32849	3.7
487.34213	100.0
488.34695	1.9
522.22412	2.3
522.38031	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	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67879	0.1
55.05503	0.5
56.05030	0.5
57.03453	0.2
57.07054	0.1
58.06643	0.4
60.08166	5.8
66.32777	0.1
67.05492	0.4
69.07064	0.4
69.85251	0.5
71.06979	0.2
71.07376	3.1
79.05497	0.2
81.07047	0.3
83.08585	0.2
85.57189	0.1
86.09708	28.1
93.07045	0.2
95.08607	0.3
97.10184	0.2
98.82191	0.1
98.98470	2.5
104.10738	2.9
105.07018	0.1
107.08604	0.1
109.10149	0.2
121.10146	0.2
125.00005	20.7
135.11731	0.2
137.08725	0.2
184.07341	100.0
185.07683	0.2
258.11093	0.1
375.21722	0.1
441.33737	0.3
474.46130	0.1
487.34329	0.2
504.34546	1.1
522.35535	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	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.69880	0.3
55.05519	2.2
56.05031	1.5
57.03441	0.3
57.07076	0.7
58.06583	1.5
59.07396	0.4
60.08169	16.9
67.05501	2.0
69.07063	2.9
71.07379	6.5
71.08627	0.4
71.24180	0.5
79.05491	1.1
81.07067	2.2
83.08634	1.4
86.09710	50.3
91.05451	0.3
93.07045	1.0
95.08629	1.9
97.10178	0.9
98.98474	4.5
101.06020	0.3
104.10748	100.0
107.08595	0.7
109.10149	1.0
121.10188	1.5
125.00009	28.9
135.11699	0.9
136.93117	0.4
137.13269	0.5
154.94174	0.6
163.01610	0.6
165.74936	0.3
172.95274	0.8
184.07350	99.9
185.07600	0.3
200.72916	0.3
228.97874	0.4
251.23697	0.8
258.11130	1.3
325.27454	0.6
338.92020	0.3
339.28979	1.2
358.07544	0.3
406.79510	0.3
441.33615	1.0
445.26987	0.4
504.34485	8.7
505.35223	0.8
522.35577	40.5
523.36017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.8
57.07059	5.0
59.04989	1.5
60.00423	1.5
63.42336	1.5
67.05503	9.7
69.07062	15.3
69.27419	16.5
71.08628	2.8
79.05479	5.2
81.07063	21.3
83.04967	4.1
83.08611	5.2
85.06535	3.5
87.04456	2.1
91.05467	6.1
93.07034	18.1
95.04951	2.2
95.08607	39.2
97.10151	3.7
99.08099	3.4
101.06020	13.8
105.07024	14.2
107.08606	18.2
109.10164	27.4
110.96282	1.9
111.08075	3.7
111.11726	3.4
111.60004	1.7
117.07072	1.7
119.08565	16.3
121.10149	40.6
123.11725	14.6
129.05501	10.3
131.08542	3.3
133.10127	16.3
135.11697	20.7
137.13269	9.8
139.11198	2.7
145.10143	9.9
147.11671	12.3
149.09590	2.0
149.13226	9.1
151.11121	1.8
157.10092	4.1
159.11684	7.8
161.13243	13.7
163.11290	2.1
163.14842	29.5
165.09114	2.6
171.11621	3.4
173.13208	8.3
175.14819	22.9
177.16382	2.6
179.10651	2.3
185.11726	20.7
185.13216	3.0
187.14822	11.6
189.16383	8.0
193.12279	2.2
199.14821	2.2
201.16351	5.6
203.17992	2.5
213.16426	2.9
215.17943	4.8
216.57127	2.0
227.18010	2.9
229.19478	8.0
231.21022	3.4
233.19247	2.0
241.19583	2.8
243.21092	4.9
245.22882	2.2
255.21298	2.5
257.22668	26.3
259.24271	19.4
269.22760	2.8
271.24207	9.9
275.23657	7.1
283.24133	2.6
301.21747	4.4
303.23184	80.9
315.23099	4.9
347.25726	5.2
379.33667	4.7
397.30865	5.3
423.32547	9.7
441.33627	16.5
443.35156	26.0
459.34726	19.0
487.34204	100.0
522.38269	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	522.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.6
53.31656	2.3
55.01870	4.9
56.96569	9.2
57.03445	13.7
57.03682	2.3
59.04991	2.6
61.02927	10.1
69.03437	35.8
69.18105	28.5
70.06576	2.7
73.02925	13.8
81.03416	7.4
82.66822	3.2
84.96039	3.1
85.02912	100.0
87.04466	5.7
87.27689	2.6
91.03971	4.7
91.05466	2.6
95.00777	2.5
97.02893	38.8
98.21624	4.2
98.97590	38.8
99.04465	9.6
101.00863	4.6
101.02315	2.9
107.04990	8.2
109.02898	9.2
110.01300	4.7
110.97562	12.3
115.03904	3.9
116.98644	10.2
119.01873	10.1
123.04416	5.7
125.01798	3.6
127.03928	36.4
128.02219	2.7
128.98621	8.8
131.01840	9.0
137.01898	2.7
137.05983	5.2
139.03905	6.5
143.00157	5.6
143.01913	7.6
145.04959	28.0
146.02318	7.6
146.99664	4.5
147.04347	3.2
151.00697	3.1
152.02313	4.3
155.02887	6.1
157.01587	2.9
158.99652	25.6
161.01378	3.5
161.02902	13.3
161.05946	2.4
163.03954	3.9
167.07019	3.1
169.01759	5.0
170.03450	3.9
170.99684	15.4
171.05095	3.1
173.02925	5.1
177.00723	11.5
182.03346	14.5
182.99600	4.8
184.05070	2.8
185.03033	4.1
187.02734	3.4
189.00697	12.4
191.03891	31.0
197.02977	3.2
200.04387	30.2
201.00703	15.3
203.02301	3.3
203.04053	5.9
209.04944	3.7
211.02875	3.0
213.00647	5.1
219.01779	28.3
221.04892	3.7
237.02808	11.6
243.01793	9.1
245.05066	11.1
247.04327	2.8
252.06946	2.5
258.08310	2.7
261.02844	18.1
261.06100	5.6
263.06015	3.5
270.08798	3.1
271.01587	2.9
272.06509	25.6
273.03400	2.5
273.08170	6.0
279.03836	8.4
281.07077	92.3
281.57373	12.5
291.03766	5.9
315.09360	3.3
320.06448	3.5
321.04935	4.6
329.06882	3.3
341.10458	3.6
342.09885	2.9
351.09567	3.8
360.08142	3.2
362.09641	33.9
362.59811	4.7
430.90768	3.2
441.08945	3.8
522.14227	7.7
539.12732	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	521.2726
Annotation	Tscheschamine
Peak:m/z	Relative Intensity
55.01888	0.5
55.05507	0.8
57.03417	0.4
67.05508	1.9
69.03429	1.1
69.07055	1.0
70.98610	0.9
71.04974	0.7
79.05489	1.8
81.03410	1.1
81.07066	3.1
83.04966	0.4
85.02901	1.5
85.06534	0.7
87.04507	0.5
89.16225	0.4
91.05483	2.2
93.07032	3.1
94.07371	0.4
95.04945	1.1
95.08620	3.0
97.02872	0.9
97.06559	0.5
98.97603	0.8
99.04471	0.7
103.05442	0.6
105.03396	2.7
105.07030	1.7
107.04977	1.5
107.08601	1.8
109.02860	0.9
109.06476	0.7
109.10143	1.5
111.08121	0.6
112.81324	0.4
117.07011	0.4
119.04961	0.5
119.08605	1.6
121.02874	5.6
121.10158	2.2
123.08070	0.5
123.11698	0.8
127.03917	0.6
127.07584	0.5
127.11169	0.5
131.04930	2.7
131.08527	0.4
133.10153	1.0
135.08006	0.5
135.11673	1.4
137.05988	1.6
139.03859	0.6
145.10141	0.7
147.04427	4.0
147.11739	0.7
149.05977	0.9
149.09700	0.6
149.13274	0.9
151.03940	0.6
157.10152	0.5
159.11627	0.5
161.13292	0.4
163.03850	0.5
167.07173	0.5
173.13210	0.4
177.05449	0.5
179.14096	0.4
193.05019	1.5
211.06049	0.9
217.15927	0.5
235.06088	0.4
242.18071	0.4
259.05899	0.8
273.14783	0.5
277.07190	0.5
367.13693	1.1
369.15182	1.1
386.02158	0.4
521.27252	100.0
522.27441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3479
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
55.05503	17.2
56.96562	16.3
57.03424	8.1
57.07064	6.7
61.02930	7.5
67.05513	48.1
69.07076	51.3
69.20590	57.8
73.02913	9.6
79.05499	23.4
81.07063	68.1
83.04992	7.1
83.08635	10.8
84.44355	5.2
85.02914	12.0
85.06531	5.9
91.05481	25.0
93.07047	49.0
95.04942	6.1
95.08615	100.0
97.02934	7.9
97.10169	6.8
98.97591	10.0
101.06027	7.9
105.07047	41.1
107.08607	57.0
109.06549	6.1
109.10181	64.0
111.11742	13.6
117.07003	12.4
119.08589	49.1
121.10130	45.1
123.11701	34.3
129.05479	16.6
129.07005	6.4
131.08556	21.1
133.10167	31.2
135.11702	24.9
137.09549	5.9
137.13249	16.7
142.27475	5.6
143.08574	14.0
145.10143	25.3
147.08018	9.3
147.11673	26.8
149.09703	8.6
149.13268	15.4
157.10152	19.0
159.11690	26.9
161.13254	21.3
163.14841	13.4
165.09134	13.4
168.09459	6.1
171.11710	17.5
173.11900	6.0
173.13289	24.9
175.11240	7.0
175.14854	12.5
177.09215	7.5
177.16435	14.9
183.10222	12.6
185.13303	20.4
187.14854	16.7
189.12717	6.7
189.16371	12.1
191.18016	11.2
195.10170	9.1
197.13341	10.8
199.14867	13.7
201.16464	10.8
203.14349	6.3
203.18015	8.4
205.19482	7.3
211.14742	7.2
213.11182	11.2
215.14343	6.0
217.07431	7.1
217.12334	5.5
217.15884	10.9
217.19559	25.2
229.16008	9.1
229.19513	7.1
231.21126	9.2
239.12737	8.2
243.21242	9.7
245.22643	13.1
247.16916	45.9
249.14836	8.1
261.14905	7.5
263.16458	23.7
269.10593	18.8
269.22653	14.3
275.16428	51.0
275.19614	10.8
287.16342	8.7
293.17508	8.6
304.95621	6.8
316.11771	9.6
316.61996	10.9
331.15683	7.5
349.16788	16.8
350.17084	7.8
365.65604	7.5
367.17789	9.6
381.31424	6.8
390.19553	6.2
393.31519	14.9
411.32614	11.9
427.32230	65.5
439.32138	76.4
449.15573	7.7
457.33188	54.3
467.31418	9.8
473.32571	9.0
475.34671	7.8
485.32300	15.8
503.33374	11.5
521.30719	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01873	1.7
55.05498	1.3
57.03435	1.0
61.02914	1.8
65.03935	1.1
67.05500	1.9
69.03436	5.7
70.06612	1.5
70.48322	2.9
79.05498	4.5
81.03410	1.2
81.07060	1.1
83.04965	4.4
85.02921	12.1
91.05482	6.4
93.07045	1.6
94.04166	2.0
95.04967	1.5
95.08581	1.1
97.02900	5.6
103.05467	29.6
105.07034	6.3
107.04956	5.8
107.08568	2.0
109.02905	1.2
109.06523	3.5
115.05457	3.9
116.10687	1.3
117.07047	2.6
119.04932	2.8
119.08575	3.0
121.06506	2.6
121.10134	1.6
122.03659	5.2
127.03918	3.1
129.06996	2.9
131.04936	59.7
133.06485	3.4
133.10066	1.3
135.08041	2.7
137.05981	100.0
143.04910	2.4
144.05643	1.2
145.04984	2.0
145.06503	1.5
147.04399	4.7
147.08058	1.9
149.05969	4.1
149.09610	1.9
151.03917	4.2
151.07526	3.7
157.06435	1.7
161.05988	14.5
161.13336	1.6
162.06761	3.3
163.07541	57.3
165.06979	1.6
166.07796	1.4
172.09717	1.1
173.05956	1.2
174.06868	1.7
175.06068	1.6
175.07544	25.8
177.09196	2.1
178.07784	1.2
179.07149	1.8
179.08519	2.2
182.80020	1.1
187.07492	5.3
189.07207	1.2
189.09100	7.7
190.07779	1.8
191.08577	7.8
193.06438	1.3
193.08504	1.5
194.07286	4.5
199.07564	4.4
203.08536	3.1
205.06567	2.2
205.08389	1.2
207.08072	3.5
211.07610	1.4
212.16451	2.2
213.16899	1.2
218.07359	1.5
219.08066	12.9
220.08791	3.4
221.06047	1.4
221.15425	1.1
222.06778	5.3
230.17384	1.5
231.08121	1.6
231.17905	2.2
233.06070	1.6
233.09726	1.7
235.07530	4.2
236.08269	3.3
237.09026	4.6
239.10693	1.8
246.66454	1.1
247.07549	8.1
248.08165	1.3
249.09146	2.2
250.06468	1.5
251.10646	9.5
253.08684	1.8
253.12366	1.9
261.09076	2.1
263.10699	1.7
264.07828	3.0
265.08578	11.7
267.10236	2.0
269.07880	1.2
279.10147	17.6
280.11023	1.7
281.08203	1.9
281.11624	1.5
284.10611	1.0
291.10123	4.9
295.09604	3.2
296.10394	1.5
297.11243	11.4
299.12823	9.5
309.11209	2.9
310.11917	3.2
311.09167	2.1
311.12784	34.8
313.14322	10.4
318.08377	1.2
323.12787	7.3
325.14383	1.8
328.12860	1.6
329.13742	4.4
336.10202	1.3
341.13828	15.7
341.21548	1.6
343.15668	1.0
358.16498	2.0
359.15427	12.3
387.66266	1.0
460.30426	1.3
521.22192	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01873	1.7
55.05498	1.3
57.03435	1.0
61.02914	1.8
65.03935	1.1
67.05500	1.9
69.03436	5.7
70.06612	1.5
70.48322	2.9
79.05498	4.5
81.03410	1.2
81.07060	1.1
83.04965	4.4
85.02921	12.1
91.05482	6.4
93.07045	1.6
94.04166	2.0
95.04967	1.5
95.08581	1.1
97.02900	5.6
103.05467	29.6
105.07034	6.3
107.04956	5.8
107.08568	2.0
109.02905	1.2
109.06523	3.5
115.05457	3.9
116.10687	1.3
117.07047	2.6
119.04932	2.8
119.08575	3.0
121.06506	2.6
121.10134	1.6
122.03659	5.2
127.03918	3.1
129.06996	2.9
131.04936	59.7
133.06485	3.4
133.10066	1.3
135.08041	2.7
137.05981	100.0
143.04910	2.4
144.05643	1.2
145.04984	2.0
145.06503	1.5
147.04399	4.7
147.08058	1.9
149.05969	4.1
149.09610	1.9
151.03917	4.2
151.07526	3.7
157.06435	1.7
161.05988	14.5
161.13336	1.6
162.06761	3.3
163.07541	57.3
165.06979	1.6
166.07796	1.4
172.09717	1.1
173.05956	1.2
174.06868	1.7
175.06068	1.6
175.07544	25.8
177.09196	2.1
178.07784	1.2
179.07149	1.8
179.08519	2.2
182.80020	1.1
187.07492	5.3
189.07207	1.2
189.09100	7.7
190.07779	1.8
191.08577	7.8
193.06438	1.3
193.08504	1.5
194.07286	4.5
199.07564	4.4
203.08536	3.1
205.06567	2.2
205.08389	1.2
207.08072	3.5
211.07610	1.4
212.16451	2.2
213.16899	1.2
218.07359	1.5
219.08066	12.9
220.08791	3.4
221.06047	1.4
221.15425	1.1
222.06778	5.3
230.17384	1.5
231.08121	1.6
231.17905	2.2
233.06070	1.6
233.09726	1.7
235.07530	4.2
236.08269	3.3
237.09026	4.6
239.10693	1.8
246.66454	1.1
247.07549	8.1
248.08165	1.3
249.09146	2.2
250.06468	1.5
251.10646	9.5
253.08684	1.8
253.12366	1.9
261.09076	2.1
263.10699	1.7
264.07828	3.0
265.08578	11.7
267.10236	2.0
269.07880	1.2
279.10147	17.6
280.11023	1.7
281.08203	1.9
281.11624	1.5
284.10611	1.0
291.10123	4.9
295.09604	3.2
296.10394	1.5
297.11243	11.4
299.12823	9.5
309.11209	2.9
310.11917	3.2
311.09167	2.1
311.12784	34.8
313.14322	10.4
318.08377	1.2
323.12787	7.3
325.14383	1.8
328.12860	1.6
329.13742	4.4
336.10202	1.3
341.13828	15.7
341.21548	1.6
343.15668	1.0
358.16498	2.0
359.15427	12.3
387.66266	1.0
460.30426	1.3
521.22192	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	520.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05038	0.6
57.03432	0.2
58.06635	0.4
59.07403	0.2
60.08167	6.1
67.05505	0.7
69.07078	0.5
69.98966	0.1
69.99361	0.1
70.06606	0.1
71.07378	3.1
79.05489	0.2
80.97422	0.1
81.07053	0.6
83.08629	0.1
86.09710	31.2
87.10047	0.1
91.05479	0.2
93.07030	0.2
94.46783	0.1
95.08613	0.4
97.06562	0.1
97.10174	0.1
98.98470	3.1
103.85017	0.1
104.10751	2.9
105.07006	0.2
107.08603	0.1
109.10169	0.2
119.08579	0.2
123.11632	0.1
125.00011	21.9
133.10115	0.1
137.13252	0.1
141.95825	0.1
143.01038	0.1
145.10216	0.1
147.11681	0.1
163.01620	0.1
166.02756	0.1
184.07349	100.0
185.07703	0.1
258.11075	0.2
281.22842	0.1
337.27246	0.2
439.32083	0.3
457.33231	0.3
467.32529	0.1
485.32645	0.1
502.32932	1.0
503.33859	0.1
511.37735	0.1
520.33984	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	520.3399
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.01874	0.2
55.05510	1.3
56.05038	1.5
56.96576	0.3
57.03435	0.4
57.07079	0.1
58.06580	1.6
59.07391	0.3
60.08164	17.5
61.02938	0.2
62.87051	0.1
65.03932	0.3
67.05503	3.1
69.07066	1.4
70.04967	0.3
70.05362	0.2
71.04987	0.2
71.07375	6.7
79.05488	1.3
81.03435	0.2
81.07060	2.9
83.08617	0.6
85.02889	0.3
85.06546	0.2
86.09705	52.2
91.05481	0.7
93.07038	1.0
95.08606	2.4
97.02871	0.2
97.06522	0.2
97.10178	0.4
98.98470	4.2
104.10744	93.9
105.07026	0.4
107.08611	0.7
109.10136	0.8
119.08588	0.5
121.10168	0.4
123.11739	0.3
125.00004	30.3
133.10138	0.4
135.11725	0.3
137.13269	0.2
143.01108	0.1
147.11720	0.2
161.13281	0.1
161.95488	0.1
163.01572	0.6
175.14749	0.1
181.02510	0.2
184.07338	100.0
185.07744	0.3
211.23245	0.1
258.10968	1.1
279.73151	0.1
285.04822	0.2
337.27350	1.0
364.64774	0.3
365.16214	0.1
366.16577	0.2
441.33383	0.2
443.25714	0.4
502.32932	7.6
520.33990	32.3
521.34668	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93681	2.0
52.21787	1.8
52.33668	1.8
55.05508	9.3
56.96556	3.6
57.07063	2.2
60.08153	6.8
64.69222	1.8
67.05507	14.3
69.03430	2.8
69.07076	12.4
69.82846	1.9
70.79457	3.1
79.05486	7.2
81.07053	26.1
83.04970	6.4
83.06354	1.8
83.08624	8.4
85.06551	5.8
86.09709	16.4
91.05489	8.8
93.07052	18.0
95.08612	36.8
97.10178	4.4
99.08105	8.0
101.06039	18.4
104.10765	22.9
105.07030	14.9
107.08600	21.3
109.10161	27.1
111.08075	3.6
111.11672	1.9
117.07024	2.2
119.08580	17.0
121.10155	24.9
123.11697	20.6
125.00000	7.9
129.05475	30.3
131.08585	8.1
133.10153	24.6
135.11722	17.8
137.13271	5.8
143.08565	5.2
145.10129	14.0
147.11708	11.4
149.13246	7.4
157.08640	2.9
157.10139	7.5
159.11713	18.8
161.13268	8.1
165.09140	2.6
171.11642	9.1
173.13284	13.1
175.14845	4.7
183.11710	2.2
184.07356	34.7
185.11755	3.3
185.13278	8.8
187.14865	15.4
189.16396	2.8
199.14850	4.8
201.16415	5.2
203.17931	4.3
213.16449	5.9
215.17966	2.4
219.13701	2.2
225.16472	3.7
227.17912	9.5
229.19485	16.3
235.69852	1.9
241.19559	11.2
243.21088	7.5
253.19536	3.6
255.21260	10.9
257.22665	32.6
269.22626	3.8
275.16333	1.9
281.22562	2.6
295.24203	8.1
297.25644	4.7
301.21686	8.6
311.27405	4.4
313.25705	2.5
313.28763	9.5
317.21121	2.4
323.27344	2.3
343.22693	3.9
345.24100	4.1
357.24136	5.0
357.27927	11.9
358.25040	4.8
359.25781	8.6
371.25620	3.5
377.31982	3.8
393.31586	3.2
395.29272	5.4
403.24872	4.6
405.31696	3.4
421.31122	10.7
439.32104	45.0
441.33664	62.5
442.33328	2.2
449.30383	8.3
457.32822	5.0
467.31592	6.4
485.32626	100.0
520.35101	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	519.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.8
57.03436	1.4
57.07056	2.3
60.10044	0.9
60.39658	0.8
67.05182	1.0
67.05510	10.9
69.07065	8.0
69.76480	2.0
69.76891	3.7
71.01241	0.9
71.04984	1.1
79.05482	6.4
81.03415	1.0
81.07057	18.8
83.04971	2.1
83.08616	3.9
85.06511	1.5
91.05455	7.6
91.24603	0.8
93.07040	12.5
95.04949	2.0
95.08610	23.1
97.02858	1.5
97.06529	2.6
97.10195	2.2
98.20748	1.3
99.08089	2.1
101.05994	2.7
103.05531	1.0
105.07030	9.7
107.08588	17.3
109.06480	2.0
109.09482	1.1
109.10162	15.9
111.08099	1.8
113.06001	1.3
115.07566	1.0
117.07030	3.1
119.08583	13.3
121.06585	1.1
121.09326	1.3
121.10152	18.6
123.08027	1.3
123.11703	14.1
125.09662	2.2
129.05486	3.5
129.07022	1.8
131.08583	8.1
133.10120	15.7
135.11716	12.0
137.09659	1.9
137.13252	3.7
141.05504	1.8
143.07024	1.7
143.08534	3.4
145.10124	9.7
146.51591	0.9
147.08029	2.6
147.11691	8.4
149.09628	1.8
149.13255	4.7
151.11185	1.0
155.07080	1.9
155.08525	1.6
157.10143	6.4
159.11711	10.6
161.13197	4.9
165.09103	3.9
169.10138	2.8
171.11682	7.8
173.09668	1.2
173.13268	8.5
175.11249	1.9
175.14909	3.3
177.05524	1.8
177.12979	0.9
179.10565	1.1
181.10112	1.8
183.10167	5.0
183.11726	2.8
185.13182	4.7
187.14861	9.3
189.12730	1.0
189.16391	2.0
196.12389	1.0
197.08011	0.9
197.13290	3.3
199.14845	3.2
201.16402	1.1
203.17929	1.3
209.13300	1.5
211.14880	2.6
213.16350	1.8
215.17982	1.9
225.16354	3.1
227.17924	3.1
229.19576	3.5
235.13164	2.4
237.16461	1.2
239.18063	1.8
241.19493	6.2
243.21146	3.3
251.12502	2.6
251.17888	1.7
253.19550	2.7
255.21030	6.6
257.22665	16.5
267.21268	2.0
269.22726	1.3
273.18558	1.4
275.16760	0.9
281.22522	2.1
289.18094	1.5
291.15839	5.0
291.18991	1.5
295.24191	1.5
296.10089	1.5
299.20099	3.9
301.18207	2.0
301.21588	4.2
307.15097	1.3
309.25729	2.7
331.22729	1.6
343.22763	3.9
355.26355	1.9
363.30511	2.0
369.19901	1.1
381.24002	1.6
383.26511	1.4
390.46710	1.0
391.29892	2.0
393.27408	1.3
407.29541	4.7
411.28909	1.7
419.29321	2.8
425.30542	11.1
427.32068	15.3
437.30536	14.2
439.32135	18.8
447.28885	2.2
455.31506	3.3
457.32947	1.3
465.30106	3.7
471.31030	7.7
483.31055	18.4
501.32181	1.9
519.29266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75574	0.3
53.03926	0.3
55.05474	0.4
57.71545	0.2
65.64864	0.2
67.01851	0.3
67.05475	1.0
69.03389	1.0
69.07037	0.8
69.65353	1.7
71.04974	0.5
79.05471	0.7
81.03400	0.7
81.07062	2.4
85.02882	0.7
85.06511	0.5
86.26570	0.3
91.05465	1.4
93.07044	1.6
95.04935	0.6
95.08626	1.3
97.02851	0.4
97.06524	0.6
98.21490	0.5
98.97546	0.6
99.04417	0.6
100.12769	0.3
103.05451	0.6
105.03419	0.3
105.07016	1.0
107.04922	0.6
107.08563	1.0
109.02835	0.3
109.06490	0.6
109.10120	1.2
114.07806	0.3
115.89032	0.2
119.04958	2.3
119.08537	0.8
120.82793	0.3
121.02850	1.0
121.06510	0.3
121.10113	0.8
123.04398	0.3
123.11683	1.0
127.03912	0.6
131.04921	0.3
131.08536	0.4
131.60419	0.3
133.02855	0.5
133.10106	0.8
135.11687	0.7
137.05977	2.7
137.09598	0.5
137.13219	0.3
139.07568	0.4
142.07727	0.3
143.10651	0.3
144.04436	0.5
145.02858	0.9
145.10101	0.5
146.03654	0.3
147.04375	0.6
147.11674	0.4
149.13297	0.5
151.11191	0.6
153.01825	4.3
157.10023	0.3
161.05968	1.0
161.13158	0.5
162.05521	0.3
163.03883	0.6
163.07510	0.4
163.11165	0.4
165.09067	0.7
166.08609	0.3
167.07036	0.3
167.10626	0.5
171.02870	0.3
172.03976	1.6
175.07457	0.5
177.05412	0.3
179.03534	0.3
185.11726	0.4
187.07536	0.3
191.06889	0.3
203.06947	0.3
204.06551	3.5
205.08615	0.3
217.08640	0.3
237.02669	0.3
243.06566	0.4
249.09009	0.3
265.08469	0.4
271.06021	94.5
272.06439	0.6
291.23004	0.3
299.05969	0.4
299.09079	0.3
303.23193	1.0
320.06265	0.3
321.24292	0.8
339.08618	0.4
347.09543	1.5
357.09644	0.8
357.14386	0.9
357.18863	5.4
361.08850	0.6
365.10220	0.4
377.08264	0.3
410.14240	0.3
457.14740	3.4
473.14474	0.8
501.13794	0.9
501.19885	0.4
519.24194	100.0
520.24298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
54.03695	0.0
55.01853	0.1
55.05513	0.3
57.07060	0.1
67.01863	0.4
67.05518	0.4
68.99785	0.4
69.03438	0.4
69.07074	0.4
71.05003	0.3
71.55271	0.1
77.03889	0.1
79.05502	0.4
81.03424	0.6
81.07064	0.8
82.07375	0.0
83.04977	0.1
83.08602	0.1
85.02916	0.3
85.06534	0.1
85.64471	0.1
89.03912	0.2
91.05441	0.3
93.07043	0.6
93.16914	0.1
95.04990	0.3
95.08604	0.6
97.02892	0.3
97.06500	0.1
97.10154	0.2
98.36446	0.1
98.97552	0.1
99.04459	0.1
103.05458	0.2
105.03386	0.2
105.07036	0.3
107.04957	0.2
107.08601	0.4
109.02883	0.4
109.06526	0.3
109.10155	0.4
111.00819	0.1
111.04412	0.1
111.08060	0.1
111.11689	0.0
113.18324	0.0
115.60121	0.1
117.03378	0.2
117.07019	0.1
119.08588	0.3
121.02844	0.2
121.06487	0.1
121.10140	0.4
123.04423	0.1
123.08022	0.1
123.11736	0.3
125.09673	0.1
127.03912	0.4
128.06262	0.1
129.01871	0.1
129.06999	0.1
131.04930	0.6
131.08562	0.1
133.06471	0.1
133.10162	0.3
135.04413	1.6
135.08087	0.1
135.11670	0.2
137.02353	0.6
137.05994	0.3
137.13359	0.1
139.03978	0.1
139.11128	0.1
145.02850	0.2
145.04977	0.1
145.10129	0.2
147.04393	0.3
147.11681	0.2
149.02303	0.1
149.09682	0.1
149.13269	0.1
151.11172	0.1
153.01833	4.7
157.06490	0.1
159.11745	0.1
161.02373	0.7
161.05965	0.1
161.13309	0.1
163.11134	0.2
163.14828	0.1
165.09076	0.1
165.12759	0.1
167.06982	0.1
171.02957	0.4
173.13435	0.1
175.11227	0.1
175.14766	0.1
177.05431	0.3
179.03368	0.3
181.12199	0.1
182.60559	0.1
187.14806	0.1
189.12863	0.1
201.16444	0.1
203.03494	0.1
209.15359	0.1
213.05482	0.1
215.09148	0.4
218.05840	0.1
219.06439	0.1
219.17406	0.1
233.10118	0.1
241.04982	0.5
245.04388	0.2
259.06024	0.2
263.05524	0.1
269.04517	0.4
271.05957	0.2
286.04770	0.1
287.05499	100.0
288.05807	0.5
299.06064	0.1
303.23093	0.3
321.24194	0.1
370.37927	0.1
430.14191	0.1
447.27316	0.1
448.15152	0.1
465.28665	0.1
479.01630	0.1
501.29047	0.1
519.14752	1.6
519.21649	0.3
519.28912	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	518.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
56.70050	0.6
57.07075	1.3
66.12123	0.6
67.05510	5.0
69.07076	6.1
69.49072	3.8
69.49478	0.9
79.05505	3.1
81.07060	10.6
83.08615	1.8
87.29993	0.5
91.05489	3.2
93.07060	5.9
95.04967	1.2
95.07988	1.0
95.08603	16.4
97.06560	0.9
97.10166	1.0
103.33909	0.6
105.07037	6.1
107.08592	11.5
109.06511	0.9
109.10156	10.5
111.08102	0.9
111.11724	0.8
117.07070	1.1
117.45709	0.7
119.08576	6.7
121.10146	14.7
123.08073	1.5
123.11716	17.2
129.07040	0.8
131.08592	2.6
132.08871	0.6
133.10135	12.5
135.11708	7.7
137.09598	2.5
137.13254	3.4
143.08609	2.0
145.10126	5.3
147.08028	1.7
147.11699	5.9
149.13277	4.7
151.07587	1.0
157.10139	4.5
157.16046	0.6
159.08028	0.9
159.11713	6.4
161.09605	3.2
161.13290	2.3
163.11253	0.7
169.10110	3.2
170.10858	1.4
171.08139	0.7
171.11731	4.5
173.09679	2.8
173.13293	5.8
175.11284	1.4
175.14847	1.8
181.10123	1.5
182.10854	0.7
183.10187	0.8
183.11745	2.3
184.12514	2.3
185.13275	4.3
187.11183	2.5
187.14836	2.7
189.12808	1.2
189.16411	1.4
191.10651	0.9
193.12277	1.1
195.11720	2.4
197.13292	2.7
199.11195	4.4
199.14865	1.7
201.12737	1.6
201.16502	1.5
201.21968	0.7
203.10712	0.8
203.17987	2.8
209.13312	2.2
211.11510	0.7
211.13164	1.5
211.14867	2.7
213.12726	5.4
213.16359	1.3
215.10735	0.7
215.14340	2.1
215.17964	2.0
219.10121	0.8
223.11127	0.7
223.14926	0.7
225.12781	1.0
225.16472	2.1
227.14313	2.4
227.18008	1.9
229.15933	2.7
229.19498	5.1
233.11723	1.1
237.16293	1.6
239.14386	1.5
239.18021	1.8
241.12224	1.8
241.15831	0.9
241.19562	2.0
243.13814	1.1
243.21107	5.1
245.11809	2.8
247.13190	0.8
251.18007	1.9
253.16006	1.2
253.19550	1.4
255.17468	1.9
255.21182	1.8
257.11783	2.0
257.15366	1.3
259.13321	5.4
265.15820	1.0
265.19427	0.8
267.21127	0.9
271.16919	0.8
273.14804	1.0
275.16492	2.1
285.18661	1.2
287.16550	1.3
293.22614	0.8
295.24261	1.1
297.22305	0.8
299.16550	1.6
299.19983	1.1
301.17993	2.6
309.25723	1.5
313.18002	0.8
321.25705	1.0
325.21628	1.0
325.25110	0.7
327.26721	0.7
335.23636	1.8
335.27356	0.9
343.22742	1.5
349.25253	4.5
349.29028	1.7
351.23242	1.9
353.24734	1.1
355.22681	1.5
367.22421	0.9
369.24490	0.7
375.30658	0.8
377.24771	0.9
381.24222	5.6
381.28168	1.6
383.25821	1.7
391.30188	1.2
393.27802	5.0
393.31909	0.6
395.25806	18.0
397.27432	2.2
403.29932	0.7
407.25424	1.0
409.31433	4.0
411.28564	0.9
419.29477	3.0
421.31070	1.3
425.26932	1.8
427.24783	5.4
437.30609	11.1
439.32126	11.6
441.26364	11.7
447.28888	5.2
455.31870	5.8
465.30118	5.4
483.31088	100.0
484.31403	1.2
501.32169	16.3
518.35748	5.5
518.38568	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	519.1138
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.69278	0.1
65.00716	0.1
67.01839	0.3
68.99471	0.1
68.99802	0.2
69.86355	0.4
81.03384	0.1
83.04984	0.1
85.02866	0.1
90.41534	0.1
91.05450	0.3
93.98997	0.1
97.02881	0.1
109.02818	0.1
115.05466	0.1
119.04939	1.7
121.02877	0.6
137.05933	0.1
145.02817	0.6
153.01831	4.2
163.03870	0.3
171.02844	0.3
187.03957	0.1
203.07091	0.2
225.05418	0.4
229.04994	0.2
243.06575	0.3
247.06068	0.1
271.06012	100.0
272.06332	0.8
389.09991	0.1
433.11331	1.6
475.12479	0.1
501.10544	0.2
519.11377	3.7
519.23651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36222	0.1
55.05520	0.1
56.05035	0.6
57.03435	0.2
58.06631	0.4
59.07409	0.2
59.75728	0.1
60.08165	5.6
67.05505	0.7
69.07063	0.1
69.98034	0.4
70.06605	0.1
71.07375	2.7
79.05492	0.3
80.97451	0.1
81.07052	0.4
85.34524	0.1
86.09707	30.2
90.32217	0.1
91.05495	0.1
93.07047	0.3
95.08586	0.4
98.98466	3.2
104.10748	2.9
107.08611	0.2
121.10190	0.1
125.00006	20.6
143.01054	0.2
165.69052	0.1
184.07343	100.0
185.07681	0.2
254.17204	0.1
258.11111	0.2
299.25290	0.1
335.25909	0.2
341.17789	0.1
481.11975	0.1
500.31479	0.9
518.32440	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77897	0.3
55.05504	0.7
56.05030	1.4
58.06603	1.6
58.31906	0.3
60.08167	16.9
63.34509	0.4
67.05505	2.0
69.07040	0.5
69.78967	0.6
69.79372	1.5
71.07380	7.5
79.05491	1.6
81.07063	2.0
83.06194	0.4
86.09708	54.2
91.05487	0.7
93.07040	1.6
95.08604	1.7
98.30288	0.4
98.98467	3.7
104.10747	100.0
105.07080	0.4
107.03838	0.4
107.08586	0.7
107.44204	0.4
119.08554	0.5
121.10148	0.6
125.00009	29.5
139.22476	0.4
163.01596	0.8
181.12579	0.4
184.07346	93.6
258.11090	1.3
270.77237	0.4
274.38251	0.4
335.25897	0.8
441.24118	0.4
475.24789	0.3
488.29810	0.5
499.24619	0.4
500.31387	9.1
517.31293	0.4
518.32489	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	517.3895
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03951	1.9
55.05516	10.7
55.29239	0.9
57.03431	2.7
57.07082	1.6
67.05507	25.0
69.07080	12.8
69.84143	2.2
69.84507	5.8
79.05502	15.6
81.07061	29.2
83.08614	6.6
91.05484	12.4
93.07053	21.8
95.04984	1.7
95.08623	22.5
97.06528	2.8
97.10187	2.6
98.21420	1.8
99.08051	1.4
105.07042	19.1
107.08597	16.7
109.10162	10.1
111.08112	2.1
117.07016	5.4
119.08590	19.5
121.09319	1.6
121.10148	11.9
123.08097	2.5
123.11722	3.8
129.07037	3.7
131.08568	11.5
133.10141	12.7
134.64764	1.0
135.11705	8.6
137.09607	2.0
137.35760	1.1
143.08617	3.5
145.10153	13.1
147.11691	11.8
149.09636	1.6
149.13332	4.8
155.08673	1.1
157.10213	5.4
159.11707	10.5
161.13280	6.4
163.11217	1.4
163.14859	3.1
169.10135	1.9
171.11688	5.8
173.13232	7.0
175.14928	3.9
183.11690	1.3
185.13350	2.4
187.14903	3.0
197.13240	1.3
199.14983	3.0
200.58372	1.2
201.13219	1.0
201.16489	2.7
211.14812	1.3
219.17490	1.5
241.18036	3.8
259.20792	2.6
287.24020	1.3
299.23831	1.2
313.25336	1.3
407.33139	2.9
420.25977	1.4
425.34073	10.5
443.35394	4.9
499.37949	15.5
517.38983	100.0
518.39319	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02359	0.7
53.03944	1.6
55.05262	1.1
55.05510	9.8
57.03437	3.3
57.07075	1.6
67.05509	22.4
69.07068	9.7
70.19271	3.0
71.04974	1.8
75.04491	0.7
79.05492	14.5
81.07059	27.1
83.04998	1.5
83.08625	6.2
85.06544	0.9
91.05481	13.1
93.07050	23.5
95.04994	1.9
95.08613	23.6
97.06535	2.8
97.10187	3.2
98.20822	0.8
99.08122	0.8
101.59994	0.7
105.07037	17.2
107.08605	14.2
109.06545	1.1
109.10166	10.1
111.08068	1.8
117.07025	5.1
117.42205	0.7
119.08588	15.9
119.09377	1.3
121.10143	11.1
121.10946	1.2
123.08047	1.7
123.11713	3.0
129.07024	3.0
131.08578	12.3
133.10132	15.0
135.08046	1.1
135.11696	8.5
137.13321	0.8
141.06987	0.9
142.07764	0.8
143.08565	5.2
145.10132	10.6
147.11687	10.4
149.13243	5.3
155.08577	1.4
157.10135	4.6
159.11700	11.0
161.13249	6.7
161.71472	0.7
163.11154	1.5
163.14830	2.2
164.06615	0.7
165.12801	0.9
169.10144	1.9
171.11708	4.5
173.13268	6.8
175.14893	4.4
177.12871	1.1
177.16451	1.3
179.14296	0.8
183.11699	1.3
185.13242	3.8
187.14824	3.7
189.16287	1.5
195.11687	0.8
197.13319	1.7
199.14861	2.6
201.16476	2.2
203.14391	1.3
211.14809	1.5
213.16536	1.7
215.30186	0.7
225.16444	1.2
227.16251	1.1
241.17844	1.7
257.18973	0.8
259.20590	2.8
261.22275	1.1
271.20642	1.1
273.22192	1.5
285.22244	1.9
287.23795	2.0
289.21661	1.1
299.23837	1.4
301.25305	1.0
303.22937	0.9
313.25174	1.1
315.23196	1.1
327.26971	2.1
329.24783	0.8
333.24194	0.8
361.27487	1.3
366.25696	0.8
391.28583	0.8
405.30066	1.0
407.28418	0.8
407.33197	3.2
419.31915	1.0
425.34216	8.6
443.35245	3.9
447.30780	0.8
481.36877	1.0
499.37955	14.0
517.38910	100.0
518.38971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.68526	1.4
53.03926	2.6
54.88079	1.7
55.01857	1.8
55.05518	11.5
56.68392	1.4
57.03436	4.5
57.07061	1.8
61.51207	1.6
63.23599	1.6
67.05505	27.8
69.07066	11.5
70.79668	3.5
72.12046	1.6
74.99131	1.5
79.05503	19.7
81.07061	31.9
83.08623	7.4
85.06526	2.2
91.05486	19.5
93.07039	23.4
95.04909	1.8
95.08611	24.1
97.06531	1.6
97.10175	3.8
105.07030	20.4
107.08614	16.8
109.10158	14.1
111.08161	2.1
117.07023	5.7
119.08584	21.1
121.10160	15.0
123.11730	2.2
129.06984	4.0
129.97935	1.8
131.08586	13.8
133.10138	14.8
135.04428	1.5
135.11690	7.5
140.69342	1.5
143.08603	6.2
145.02879	2.0
145.10136	11.2
147.11707	11.3
149.13280	6.1
157.10179	4.3
159.11699	9.8
161.13281	6.6
163.03893	13.3
163.11319	2.0
163.14859	2.6
171.11736	6.4
173.13298	6.8
174.19115	1.6
175.14822	2.9
183.11691	3.0
185.13269	3.6
187.14842	3.4
188.73119	1.5
189.16437	2.3
199.14903	3.3
201.16473	3.5
231.17432	1.8
241.17879	3.1
241.25598	1.7
242.25488	1.6
244.68393	1.5
259.20529	2.5
264.85272	1.6
273.22205	1.8
285.22559	2.0
289.21771	2.1
333.24707	1.9
407.33255	3.4
425.34036	10.5
443.35141	5.2
499.38071	16.3
517.38971	100.0
518.40125	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	517.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58597	3.9
53.03934	12.0
55.01865	7.4
55.05270	4.9
55.05512	58.0
56.96559	14.4
57.03421	9.0
57.07080	4.8
58.52175	3.9
59.04983	7.0
67.05511	32.9
69.03432	27.8
69.07067	66.5
70.86367	4.9
70.86696	7.1
71.01368	4.1
71.05001	19.1
79.05501	44.2
81.03416	40.1
81.07066	100.0
83.01311	3.7
83.04972	10.8
83.08614	9.2
83.37080	3.4
85.02884	17.1
85.06529	12.4
87.76532	4.4
91.05483	44.4
93.07048	95.1
95.04983	35.2
95.08608	70.9
97.02893	11.9
97.06532	18.2
97.10172	70.0
98.97607	19.8
99.04445	8.0
99.08123	3.7
105.07034	41.6
107.04971	18.3
107.08596	69.3
109.02882	46.0
109.06507	23.3
109.10159	54.4
110.97540	7.1
111.04405	4.7
111.08084	12.1
111.11692	6.0
113.09652	6.4
115.05424	5.9
117.07001	10.8
117.55834	3.7
119.04930	9.0
119.08589	40.0
121.02840	14.5
121.06477	14.0
121.10148	68.3
123.04410	11.4
123.08071	10.9
123.11733	19.4
125.05968	8.4
125.09669	22.3
127.03938	32.0
127.07512	4.7
131.04910	13.8
131.08551	17.5
133.06461	4.1
133.10118	28.1
135.08044	14.1
135.11717	29.5
137.05972	17.9
137.09590	14.6
139.11179	18.6
141.09113	4.2
143.08565	6.7
143.10651	21.4
145.04887	3.8
145.06447	12.2
145.10139	35.0
147.04411	45.1
147.08017	7.2
147.11697	30.4
148.04726	4.7
149.06020	5.3
149.09610	16.9
149.13235	15.0
151.03935	6.5
151.07585	5.2
151.11131	7.2
153.01842	7.5
153.12744	16.5
155.08472	4.4
155.10661	4.1
157.10115	13.3
157.12228	9.2
159.10219	5.3
159.11665	10.5
161.05936	5.0
161.09576	13.5
161.13240	10.1
163.03957	5.2
163.11176	19.9
163.14813	5.5
165.09088	6.4
165.12761	12.9
167.07039	4.9
167.10616	5.6
170.69205	4.3
171.11621	5.7
173.06018	4.7
173.13225	10.1
175.07669	6.1
175.11212	8.5
175.14867	4.8
177.05492	7.7
177.12697	4.6
179.10562	4.5
181.12227	17.7
183.11827	4.1
185.13347	5.3
187.07532	4.9
189.12791	5.4
191.14365	4.4
193.12221	8.4
201.05452	14.1
203.14355	8.0
219.01613	8.0
229.14362	8.4
237.02740	10.4
255.21222	4.7
271.05969	33.0
275.20129	7.3
283.20602	6.2
287.05463	4.1
291.23196	7.2
295.15714	9.5
301.21625	27.2
309.14575	14.1
319.22748	24.6
337.10941	4.7
337.16803	11.3
337.23691	14.0
355.11554	9.1
415.24808	3.9
445.25589	13.5
457.20935	13.5
463.26868	50.4
475.13177	4.4
481.27911	23.9
499.16315	4.1
517.20313	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03956	1.1
55.05515	11.6
57.03432	3.6
57.07068	1.8
64.06751	0.7
65.03953	1.4
67.05505	24.8
69.07068	11.5
71.04996	1.8
71.08620	0.9
74.52673	0.7
79.05490	14.8
79.05907	1.3
81.07054	25.5
83.04966	0.9
83.08610	6.0
85.06553	2.1
91.05485	13.7
93.07041	20.7
95.04975	1.1
95.08604	19.7
95.09174	1.4
97.06522	3.4
97.10171	3.4
99.08125	0.8
105.07031	17.2
107.08595	14.6
107.28032	0.7
109.06560	1.2
109.10172	11.2
111.08075	2.0
117.07025	6.5
119.08578	17.4
121.10148	13.5
123.08075	1.2
123.11694	3.9
125.09698	1.1
129.07030	2.8
131.08574	11.5
133.10114	14.3
135.08124	0.7
135.11697	6.4
137.09631	1.6
137.13278	1.0
141.06992	1.4
143.08545	4.8
145.10132	12.3
147.11702	9.2
149.13243	5.4
155.08598	2.4
157.10130	4.5
159.11699	10.7
161.13243	5.3
163.11247	1.0
163.14844	2.5
165.12738	0.7
169.10146	2.7
171.11682	5.5
173.13269	7.0
175.14876	3.4
183.11684	3.1
185.13237	3.6
187.14789	3.7
189.16423	2.1
191.17918	0.8
197.13297	1.7
199.14923	2.4
201.16435	1.3
209.13351	0.9
211.14804	1.0
213.16425	2.7
215.17908	0.8
219.17465	1.3
227.18298	0.8
239.16331	0.8
241.17848	2.0
245.19078	1.1
246.41916	0.8
249.18349	0.8
259.20685	2.9
275.20102	1.0
287.23901	1.3
297.25909	0.8
299.23694	0.9
301.25259	1.2
313.25314	1.0
317.24512	0.9
319.26431	0.8
327.26819	1.4
333.24103	1.8
341.24597	0.8
391.28516	0.8
397.46353	0.7
405.30228	1.3
407.33151	2.7
425.34103	10.9
443.35376	4.8
447.31219	1.2
481.36615	1.0
499.37842	15.3
517.38892	100.0
518.39264	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64325	0.3
53.03946	0.6
55.01871	0.4
55.05507	1.7
59.05012	0.4
65.03936	1.0
67.05511	1.8
69.03437	2.2
69.07074	2.0
69.57166	1.7
71.04993	1.5
79.05505	1.9
81.03426	2.9
81.07063	2.7
83.04981	1.2
83.08622	0.6
84.96026	0.3
85.02923	1.4
85.06594	0.4
91.05485	9.1
93.07052	2.8
93.53743	0.3
95.04964	1.3
95.08606	4.0
97.02888	1.6
97.06516	1.0
97.10153	1.8
98.20694	0.6
98.97602	0.7
99.04489	0.7
103.05489	0.4
105.03389	0.8
105.07018	2.9
107.04960	1.6
107.08585	5.1
109.02886	2.3
109.06507	1.0
109.10159	2.5
109.49869	0.3
111.08066	0.8
117.06995	0.6
119.04950	17.8
119.08581	2.1
121.06487	0.6
121.10146	4.0
122.07269	0.3
123.04391	0.4
123.08079	0.7
123.11716	0.7
124.44635	0.3
125.09618	1.2
127.03904	1.6
131.04898	0.7
131.08560	1.2
133.10139	8.5
135.04358	0.3
135.08046	1.3
135.11703	1.3
137.09622	5.1
139.11186	0.6
140.01358	0.3
143.08649	0.4
143.10675	0.6
145.10123	0.9
147.04414	100.0
147.11714	1.8
149.09610	1.0
149.13231	2.0
151.11188	4.2
153.12776	0.3
155.60995	0.3
157.10126	0.4
159.11694	0.5
161.13228	0.4
163.07550	0.4
163.11143	0.7
163.14856	1.1
165.05496	5.6
165.12737	0.8
173.13263	1.1
177.12796	0.4
179.03189	1.7
179.10551	0.4
181.12132	0.3
191.14319	7.0
193.12180	0.8
195.55925	0.3
207.13806	0.4
209.15387	4.1
255.08504	0.6
291.08646	3.4
301.21582	0.5
309.09720	4.3
319.22620	0.7
331.18390	0.3
349.08887	0.7
445.26404	0.5
447.16302	2.3
463.26740	0.7
481.28036	0.7
517.20050	9.8
517.28949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.05500	6.0
57.03439	3.1
67.05495	5.9
69.03430	8.9
69.07063	3.6
71.56931	1.6
73.99606	1.1
75.04469	4.0
76.09993	1.2
77.03938	1.9
79.05496	19.7
81.03431	6.2
81.07058	8.6
83.04942	2.5
85.02899	7.8
91.05482	21.9
93.07047	100.0
95.04983	6.2
95.08617	6.9
97.02886	3.9
97.06515	3.1
99.04456	2.1
103.05451	1.8
105.03396	5.2
105.04499	1.7
105.07024	9.9
107.04955	3.1
107.08602	61.7
109.02874	5.1
109.06516	1.8
109.10150	3.4
111.08086	4.5
119.04933	1.6
119.08586	13.8
121.06517	1.8
121.10150	70.2
123.11777	1.9
127.03899	4.3
131.04939	3.9
131.08543	4.6
133.10110	4.4
135.11703	28.4
137.09651	1.6
139.11154	4.3
143.08574	2.0
145.04974	2.3
145.10110	3.8
147.04431	7.7
147.11684	1.9
149.09602	10.2
157.10091	1.5
159.11732	1.7
161.09625	1.5
163.11162	1.8
167.10712	23.4
181.12128	1.3
207.13731	1.6
275.12637	1.8
283.20761	1.5
293.13794	4.3
311.14935	12.2
329.16129	1.8
445.25598	2.8
530.28192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
54.26059	0.5
55.05501	2.8
56.96560	1.3
57.05686	0.6
57.07084	0.7
60.37267	0.6
61.34401	0.6
65.03939	0.9
66.13235	0.6
67.05495	2.1
69.03084	0.8
69.03432	10.3
69.07056	2.6
71.04996	12.6
71.54368	0.7
79.05474	2.4
81.03426	5.1
81.07056	5.0
83.04977	1.3
83.08582	0.7
85.02897	2.7
85.06518	0.6
91.05478	9.8
93.07052	4.7
94.14385	0.6
95.04964	2.2
95.08607	3.1
97.02867	3.0
97.06517	1.4
97.10176	3.4
99.04461	1.4
101.02415	0.7
103.05440	0.9
105.03403	1.1
105.07017	5.0
107.04956	9.4
107.08590	5.4
109.02895	6.0
109.06488	0.9
109.10135	3.0
111.08070	2.2
117.07004	1.0
119.04950	18.1
119.08562	2.2
121.06487	1.3
121.10149	5.7
122.07230	0.8
123.04430	1.1
123.08092	1.1
123.11753	1.0
125.09642	1.2
127.03918	6.8
130.42783	0.7
131.04901	1.5
131.08578	1.5
133.02693	0.9
133.06577	0.9
133.10138	17.9
134.99277	0.7
135.04204	2.6
135.08072	2.8
135.11708	1.8
137.05917	0.6
137.09619	8.6
139.11182	1.4
141.09067	0.8
143.10651	1.2
145.04997	1.0
145.10179	1.6
147.04413	100.0
147.11650	1.6
149.09698	0.9
149.13229	2.6
151.11192	0.6
159.11739	1.2
161.09586	0.6
165.05478	3.9
173.13255	1.5
179.03156	19.9
191.14314	4.7
201.05583	0.7
208.98074	0.7
209.15321	0.7
215.11006	0.7
215.80962	0.6
241.08372	4.4
255.08420	9.3
270.81729	0.6
291.08679	2.3
301.21729	0.9
309.09717	4.7
319.22607	1.2
328.84055	0.6
351.90366	0.7
361.12747	1.5
363.13992	1.2
365.08478	1.3
371.18896	0.7
404.36038	0.7
463.26874	1.6
467.73895	0.7
473.17780	3.1
481.27985	1.1
487.84500	0.6
489.40952	0.7
517.17212	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	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01866	2.3
55.05267	0.9
55.05514	12.9
57.03433	6.2
57.07060	1.6
58.92155	0.6
62.38827	0.5
65.03936	2.9
67.05505	43.4
69.07074	11.9
69.22248	7.1
71.01328	1.1
71.05004	3.4
77.03940	0.9
79.05494	43.0
81.03393	3.2
81.07057	32.0
82.39473	0.6
83.04973	5.8
83.08621	5.4
85.06540	1.9
91.04900	0.9
91.05480	24.5
93.07043	47.2
95.04963	5.1
95.08607	21.2
97.06526	5.5
97.10156	6.7
98.21539	1.1
99.08103	1.5
101.20972	0.7
103.05505	0.8
105.04531	1.4
105.06351	0.5
105.07026	13.0
107.08595	24.8
109.10159	10.2
111.08109	1.7
117.07013	7.4
119.08578	13.3
121.06551	0.8
121.10149	15.1
121.11039	0.8
123.08081	0.9
123.11713	2.2
125.09624	1.5
128.06242	1.0
129.07019	2.4
130.07799	0.8
130.37518	0.7
131.08562	10.5
133.10127	8.2
134.65852	0.7
135.08102	0.8
135.11693	31.1
137.09618	1.5
141.06958	0.8
143.08588	3.7
145.10118	13.1
147.11671	6.1
149.13219	3.5
153.12689	1.6
155.08600	1.6
157.10165	2.2
159.11710	5.6
161.13274	3.6
163.11212	3.5
163.14803	0.7
169.10141	1.8
171.11688	2.2
173.13286	4.1
175.14832	1.0
181.10265	0.7
181.10854	0.8
181.12280	5.3
183.11659	0.8
185.13309	2.6
187.14867	2.6
197.13200	1.0
199.13251	1.3
199.14877	2.1
201.16360	1.2
209.13367	0.7
211.14865	1.1
213.16551	1.3
225.16449	0.9
243.21156	1.7
255.16167	1.2
261.22144	3.8
266.97540	0.7
285.22232	0.7
297.22113	0.9
317.24960	1.4
326.97778	0.7
372.68408	0.8
405.31714	1.4
423.32660	5.2
436.92856	0.7
441.33774	2.4
459.34924	0.8
497.36243	2.7
515.37341	100.0
516.37891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36768	4.1
53.03928	4.8
55.01858	6.7
55.05519	18.4
57.03426	11.5
57.07074	5.9
61.02924	7.0
61.86074	3.5
67.05506	92.3
69.03426	17.2
69.07069	21.4
70.28532	3.5
71.04988	5.6
71.24513	3.2
71.28036	8.9
73.51974	3.4
79.05497	63.2
80.55544	4.0
81.03397	14.8
81.07064	100.0
83.04995	5.0
83.08598	12.1
85.02894	7.5
91.03940	4.6
91.05481	38.5
93.07047	74.0
95.04951	13.0
95.08613	69.1
97.02888	5.8
97.06526	8.8
97.10194	6.3
99.08073	5.6
103.03906	3.9
105.07030	38.2
107.04958	5.1
107.08606	40.9
109.02908	4.0
109.06510	10.0
109.10166	29.5
111.08051	4.0
117.07018	16.3
119.08599	26.8
121.06542	3.7
121.10150	49.4
123.11702	16.9
125.09542	3.6
127.03933	4.5
129.06984	7.7
131.08562	33.6
133.06509	4.3
133.10152	25.2
135.08018	4.6
135.11682	26.2
139.11156	3.9
145.06453	4.6
145.10136	24.2
147.08147	5.1
147.11700	20.0
149.09598	7.0
149.13289	19.0
155.08488	5.1
157.10161	6.2
159.11679	23.4
161.09677	8.2
161.13272	14.8
163.11266	10.1
163.14847	15.2
169.10126	4.4
171.08031	4.1
171.11682	9.0
173.13274	16.7
185.13306	6.7
187.14893	7.1
191.54031	3.7
201.16403	7.1
227.12775	5.8
228.18320	3.8
233.18964	4.7
233.75641	4.0
243.21092	16.6
261.22186	65.6
277.21457	3.8
303.23172	8.5
335.25818	14.0
345.24301	10.0
351.22989	4.5
353.26913	25.4
358.16510	7.4
358.66769	4.4
360.15887	3.9
369.24203	11.6
387.25424	7.6
405.26395	5.3
419.27673	7.4
461.28104	4.9
497.30930	16.2
515.37048	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56709	1.2
53.03942	3.1
55.01869	1.5
55.05513	15.0
57.03432	3.8
57.20669	1.1
58.83500	0.9
65.03927	2.0
66.84762	1.1
67.05505	47.5
69.03424	1.4
69.07072	14.0
69.82120	6.6
71.01336	1.5
71.04993	3.2
71.31296	1.0
75.44156	1.1
78.25011	1.1
79.05496	42.7
79.74618	1.1
81.03411	2.8
81.07056	35.0
83.04980	6.1
83.08617	6.1
85.06535	2.6
91.05475	23.9
93.06481	2.6
93.07047	44.3
95.04993	5.4
95.08605	20.2
97.06546	6.6
97.10161	5.8
105.04525	1.4
105.07035	13.8
107.08598	25.6
109.10165	9.1
111.08080	2.6
111.75272	1.1
115.05412	1.4
117.07033	8.3
119.08591	10.8
121.10139	15.8
123.11657	1.9
127.68794	1.2
129.07019	3.0
130.11676	1.2
131.08563	11.6
133.10161	7.8
135.11696	33.2
143.08571	5.7
145.10130	14.3
147.11652	7.1
149.13268	4.0
153.12697	1.4
155.08594	1.5
157.10197	3.3
159.11720	8.3
161.13284	3.9
163.11166	4.5
169.10172	1.6
171.11732	2.5
173.13303	5.7
181.12231	3.5
183.11751	2.5
185.13287	1.8
187.14856	1.9
197.13197	1.9
199.14958	1.4
201.16457	1.4
261.22238	3.8
314.35791	1.1
392.13336	1.5
423.32669	5.1
441.33560	1.4
495.79706	1.1
497.36105	3.3
515.37384	100.0
516.37744	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01880	2.9
55.05515	20.0
57.03429	6.5
57.07068	4.7
61.02914	4.3
65.03928	4.1
67.05510	88.6
69.03427	6.1
69.07074	18.1
71.01361	1.8
71.04978	3.0
71.08644	1.6
71.54842	1.6
73.02911	2.3
79.05497	63.1
81.03416	6.0
81.07062	100.0
83.04990	3.1
83.08641	11.3
85.02903	5.2
85.06535	3.2
91.04921	2.0
91.05484	36.7
93.07052	77.4
95.04961	5.0
95.08613	79.3
97.02906	2.4
97.06522	5.3
97.10160	6.1
97.52048	1.3
99.04466	1.4
99.08109	5.2
103.03967	1.9
105.04552	1.6
105.07036	34.0
107.04976	2.8
107.08604	47.5
109.06515	4.4
109.10166	45.3
111.08092	5.4
115.05402	1.3
117.07011	16.0
119.08591	23.2
121.06489	2.2
121.10152	47.2
123.08070	4.5
123.11716	18.7
125.09613	2.6
127.03870	1.7
129.07021	4.7
131.08572	30.6
133.06490	1.5
133.10136	22.9
135.08101	2.2
135.10695	2.3
135.11699	34.3
137.09654	2.2
137.13263	7.8
139.11226	2.3
141.12769	1.5
143.08557	4.0
145.06543	1.7
145.10130	24.8
147.08052	2.0
147.11714	15.2
149.09660	2.4
149.13268	23.3
151.11218	3.5
151.14761	2.5
155.08562	2.5
157.10156	3.3
159.11707	19.7
161.09604	1.7
161.13266	13.9
163.11172	2.1
163.14825	18.2
165.12799	1.9
165.92361	1.3
171.11673	3.3
173.13268	21.7
175.07558	1.5
175.14835	4.6
177.12767	2.0
177.16374	6.1
179.06963	2.1
179.14365	3.3
183.11740	2.1
185.13182	2.2
187.11151	2.3
187.14796	11.7
191.14430	1.4
201.16342	3.6
205.15878	2.9
211.14859	1.6
215.17914	2.2
219.17369	2.1
233.22673	3.9
234.93495	1.5
243.21098	33.0
259.20578	2.4
261.22159	99.8
262.22510	1.5
263.23877	2.0
271.20697	1.4
279.23270	3.2
291.23138	2.0
301.21503	2.5
303.23288	3.6
317.24734	2.9
335.25870	15.8
345.24222	4.3
353.26868	22.6
357.24368	2.3
369.24252	4.9
387.25290	2.8
405.26096	3.5
419.27838	4.0
438.88824	1.5
443.28055	2.5
461.28961	3.9
479.29944	4.3
497.31000	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16487	3.6
53.03938	4.9
53.65617	4.2
55.01834	4.3
55.05519	19.8
57.03421	12.5
58.84617	3.6
61.02919	5.1
62.91162	3.6
67.05507	93.9
69.03423	10.5
69.07066	23.3
70.38548	9.5
70.38914	6.1
71.05007	5.4
73.02897	5.2
79.05498	56.2
81.03413	15.1
81.07062	100.0
83.04970	7.6
83.08600	11.3
85.02897	10.5
87.96619	3.9
91.03955	5.8
91.04543	3.4
91.05485	38.1
93.07046	65.0
95.04961	12.3
95.08612	80.9
97.02866	9.4
97.06563	6.3
97.10150	5.2
99.08053	6.8
105.07043	28.5
107.04932	5.4
107.08608	33.1
109.06499	5.4
109.10169	34.7
117.07016	13.8
119.08578	23.4
121.10167	31.9
123.11696	16.0
127.03928	6.2
129.07007	6.4
131.08560	23.4
133.10115	24.9
135.08044	7.8
135.11707	28.6
141.06874	6.0
143.08591	7.1
145.10155	20.8
147.11674	17.0
149.13251	16.1
157.10182	7.1
159.11697	18.8
161.13254	8.4
163.14781	8.2
165.12675	8.1
173.13258	16.2
177.12715	6.5
185.13293	4.3
187.14885	6.7
195.11458	4.1
243.21036	21.8
245.13701	6.1
261.22128	62.9
270.17862	6.2
279.23242	4.7
303.23074	6.3
317.24817	5.0
335.25934	24.0
345.24356	5.8
353.26892	16.0
369.24606	4.4
387.25418	7.5
419.27805	7.5
443.27975	8.1
480.30267	12.6
497.30835	10.8
506.51877	4.3
515.26373	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	514.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.1
53.36970	5.2
53.70244	5.3
55.05515	28.9
57.03431	19.3
57.07066	5.7
61.02903	6.3
63.52408	5.1
67.05511	69.9
69.03410	6.0
69.07062	25.9
71.05000	9.4
71.54888	6.0
78.09013	5.9
79.05502	51.0
81.03427	64.8
81.07061	83.2
83.04962	16.3
83.08611	29.8
85.02917	22.4
90.11601	5.4
91.05473	46.2
93.07051	65.8
95.04974	22.7
95.08615	21.3
97.06531	15.5
100.21500	5.0
105.07051	26.1
107.04987	8.4
107.08588	34.1
109.10152	13.8
111.08060	8.4
117.06994	8.4
119.08604	11.4
121.10120	22.3
125.09636	6.0
131.08556	21.8
133.10123	20.4
145.92047	6.1
147.11719	11.3
149.09604	6.5
149.13266	18.0
149.91594	5.3
157.10106	11.3
159.10495	6.4
159.11748	9.3
162.19939	5.4
164.04622	5.4
175.11197	12.7
177.12735	6.0
189.61928	5.2
192.18596	5.7
193.12221	28.2
195.13800	7.7
211.13297	48.2
229.07578	6.4
267.16003	17.7
269.17517	99.8
285.16959	55.0
461.28912	34.1
464.76672	5.8
479.29959	100.0
507.77338	6.0
510.14474	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.5
55.05504	0.9
67.05495	1.9
69.07065	0.8
71.54518	0.4
71.54970	0.5
79.05478	1.3
81.07047	2.1
88.89861	0.4
91.05457	0.9
93.07036	2.1
95.08621	1.4
105.07047	1.3
107.08591	1.4
109.10146	0.7
119.08597	0.9
121.10154	1.0
131.08511	0.6
133.10098	0.6
135.11682	0.7
145.10115	0.6
157.10098	0.5
181.47153	0.4
185.04243	0.5
202.26241	0.4
210.29520	0.4
381.57047	0.4
505.85941	0.5
514.50916	0.5
515.31885	100.0
516.32166	0.8
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
53.03938	3.9
55.05513	17.9
57.03445	9.8
57.07053	5.1
61.02915	5.0
65.03928	3.1
67.05506	88.2
69.03415	5.2
69.07067	21.6
69.25275	14.5
71.04977	3.0
73.02924	1.8
75.04489	2.2
76.13268	1.6
79.05495	56.9
81.03414	3.9
81.07059	100.0
83.04993	2.5
83.08630	11.1
85.02907	8.8
85.06570	3.2
91.03961	3.2
91.05483	32.7
93.07045	71.4
95.04974	3.9
95.08609	77.0
97.02879	5.3
97.06520	6.1
97.10162	3.3
99.04442	1.8
99.08093	2.4
103.03940	1.9
103.05522	1.9
105.07032	24.5
107.04929	1.6
107.07860	3.1
107.08600	44.3
109.06499	4.2
109.10161	38.2
111.08064	2.8
117.07016	13.5
119.08587	26.5
121.06466	1.5
121.10143	34.5
123.08047	4.0
123.11707	20.2
125.09599	3.0
127.03870	1.8
129.06996	4.8
131.08568	25.4
133.10132	18.7
135.08064	2.9
135.10704	2.1
135.11696	29.7
137.09624	3.1
137.13260	5.7
139.11142	2.9
142.17186	1.3
143.08565	3.3
145.06393	2.1
145.10123	17.4
147.11678	13.4
149.09641	1.7
149.13255	20.9
151.14824	3.5
155.10710	1.6
157.10124	3.3
159.08110	1.5
159.11703	21.1
161.13274	13.7
163.14838	15.0
165.12828	2.9
169.08548	1.6
169.10112	1.5
171.11742	2.7
173.13269	21.3
175.14792	5.1
177.12872	2.1
177.16362	5.9
179.14328	1.9
185.13196	3.0
187.14819	9.6
195.13866	1.8
199.14812	1.8
201.16396	5.6
205.15891	2.6
233.22633	4.6
239.85019	2.0
243.21135	25.6
261.22147	79.5
279.23102	4.5
291.22986	1.5
301.21689	2.9
303.23334	2.3
327.23315	1.8
335.25790	27.4
345.24161	5.0
353.26935	22.5
369.24249	2.3
377.26578	1.6
387.24963	2.4
391.29074	1.8
405.26297	2.1
419.27939	5.2
443.27802	2.9
461.28918	3.2
479.30063	2.9
497.31039	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	514.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01875	2.2
55.05501	4.2
55.60823	1.8
57.03436	2.3
61.02925	2.2
67.05511	11.6
69.03411	3.5
69.07077	2.4
70.98553	3.8
75.44771	1.6
79.05507	9.3
81.03426	89.3
81.07053	8.0
83.04998	3.5
83.08624	21.7
83.74336	1.9
85.02909	4.7
91.05497	10.6
93.07044	6.7
95.04978	21.7
95.08611	5.1
96.61350	1.8
97.02909	5.8
97.06548	2.6
105.07053	8.4
107.04980	10.1
107.08607	3.8
109.06491	2.8
111.08082	12.1
114.12087	1.9
119.08588	6.7
121.10142	5.2
123.04426	2.2
129.07018	7.3
131.08585	6.1
133.06512	3.9
133.10115	4.6
147.04388	4.6
147.08069	3.0
147.11723	8.7
149.09647	3.5
157.10146	11.3
163.11244	2.2
164.10745	4.1
167.49942	1.8
175.11243	10.5
192.10181	3.9
193.12259	66.8
211.13324	7.6
235.13333	2.6
242.69615	1.8
267.15939	46.3
268.99301	1.8
285.16986	100.0
302.12164	1.8
309.16956	11.2
323.12479	4.9
363.18060	4.6
375.18210	2.4
393.18771	1.8
411.19971	2.3
429.21033	5.7
514.20581	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	514.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.01865	1.6
55.05504	2.7
56.96563	1.7
61.02925	2.8
67.05493	2.7
68.23920	1.4
69.03432	9.7
69.07078	8.2
71.05013	2.1
71.08639	49.5
71.55021	1.5
79.05495	1.7
81.03403	5.9
81.07066	4.1
81.92947	1.2
83.04984	1.2
85.02914	42.6
86.09723	1.8
87.04462	1.8
89.03928	4.8
91.03979	2.3
91.05485	3.7
93.07040	5.5
95.04993	2.2
95.08590	2.0
97.02887	8.6
98.97598	2.3
99.04469	3.7
99.08103	100.0
104.10707	1.7
105.07042	4.0
107.04964	5.0
107.08582	2.4
107.81052	1.3
109.02879	4.4
109.06533	1.2
117.03386	15.3
119.04942	2.5
121.10145	5.0
127.03948	9.8
129.12758	9.8
133.10103	2.0
135.04367	1.4
139.03928	1.8
145.02861	43.5
145.04927	14.0
147.04430	11.3
149.05952	6.5
155.14331	2.7
161.09698	1.8
162.05560	1.5
163.03864	1.6
163.06027	5.3
163.11166	5.2
173.15388	66.3
177.05484	91.6
184.07320	2.5
192.10126	1.5
210.05814	1.1
339.10748	1.6
514.21057	3.6
515.20563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47375	1.6
53.03940	4.5
55.05507	8.3
57.03438	7.4
57.07080	3.2
61.02930	11.6
67.05508	25.2
69.03425	5.7
69.07085	9.9
70.47852	6.6
70.72507	1.6
73.02937	3.8
76.61430	1.8
79.05495	35.6
81.03439	2.7
81.07064	28.1
83.08624	7.3
85.02902	12.4
91.03947	4.9
91.05476	25.5
93.07045	42.4
95.04942	3.0
95.08617	20.2
97.02896	6.3
97.06505	3.0
97.10198	2.2
98.97652	2.0
99.08119	2.7
105.03400	4.9
105.07037	34.6
107.08596	27.2
109.10184	10.2
117.06991	6.1
119.08587	33.1
121.10143	20.4
129.07036	5.6
131.08571	15.8
132.33084	2.1
133.10135	29.1
135.11702	19.1
137.13217	1.7
143.08586	6.7
145.10139	16.0
147.11711	24.0
149.09616	4.1
149.13246	14.3
153.04637	2.1
157.10121	6.7
159.11655	10.1
161.09633	3.9
161.13251	21.5
163.11282	2.4
163.14859	7.2
169.10127	3.0
171.11673	9.7
173.13269	7.0
175.14828	13.2
185.13266	7.3
187.14830	4.4
199.14848	6.0
203.14371	2.1
217.19653	3.6
231.21085	4.6
241.19572	19.4
259.20572	45.3
277.21710	8.2
333.24316	7.6
349.23868	2.9
351.25308	100.0
354.10678	2.1
363.24966	2.3
367.22412	3.3
375.25287	2.7
384.23804	2.9
417.26157	2.2
441.26505	5.7
495.29578	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89761	1.7
53.03943	3.2
55.01870	2.4
55.05510	10.4
57.03430	6.7
61.02932	11.7
67.05507	25.6
69.03425	5.0
69.07059	11.2
70.12400	8.3
71.04979	2.5
72.14474	1.7
73.02916	5.2
75.42509	1.7
79.05499	30.3
81.03413	6.7
81.07056	30.3
83.04962	3.3
83.08606	5.4
85.02914	15.5
85.06510	3.1
90.42101	1.6
91.03946	5.8
91.05490	33.7
93.07050	37.7
95.04977	4.2
95.08611	19.4
97.02898	8.8
97.06506	3.0
99.08070	3.2
105.07038	39.6
107.04957	3.7
107.08609	27.4
109.06479	2.4
109.10146	7.8
113.09680	1.7
115.05368	1.9
117.07011	10.4
119.08584	32.9
121.10144	18.9
121.91466	1.5
123.08100	3.1
123.11693	3.1
127.03934	2.9
127.46342	1.6
129.06992	8.0
131.08582	14.7
133.10147	26.0
135.08072	2.4
135.11691	16.7
137.09651	2.8
143.08525	7.2
143.09555	2.0
145.10107	14.1
147.11697	29.6
149.13268	13.6
155.08495	2.3
157.10153	6.2
159.11664	15.4
161.09663	4.5
161.13263	20.4
163.14818	3.6
165.12959	2.0
169.10118	3.2
171.11722	9.1
173.13251	9.5
175.11211	2.0
175.14882	11.1
177.12805	2.9
183.11650	3.2
185.13231	7.0
187.14864	2.3
199.14822	4.0
213.16356	2.8
215.17984	2.0
217.15800	2.6
225.51840	1.9
231.21115	5.6
240.55148	1.9
241.19543	17.9
259.20618	51.2
261.22385	2.1
289.21939	2.1
301.21506	2.6
333.24246	3.5
349.23602	5.0
351.25302	100.0
361.23776	2.4
363.25327	2.7
367.22540	3.4
375.25208	2.5
387.25546	2.2
417.26578	2.9
429.26337	3.0
441.26196	6.0
444.60785	1.9
477.28510	3.1
486.76273	1.8
495.29431	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.8
53.69657	5.3
55.01883	7.2
55.05505	22.8
57.03442	41.8
57.07083	7.3
61.02914	19.6
63.80155	4.5
65.03937	5.1
67.05510	89.3
67.25356	4.4
69.03426	34.2
69.07065	20.0
69.26066	45.1
71.04986	20.7
71.46690	5.0
73.02901	10.3
79.05497	90.4
79.57771	4.9
81.03416	33.0
81.07065	100.0
83.04984	10.1
83.08618	14.7
85.02911	39.9
85.06538	5.8
91.03971	10.1
91.05483	73.4
93.07046	80.3
95.04991	10.8
95.08617	80.6
97.02885	34.7
97.06506	12.2
97.10182	10.8
99.04451	11.3
99.08079	8.3
101.02396	10.6
103.03992	5.9
105.03426	6.0
105.07033	57.6
107.08608	58.3
109.02907	11.2
109.06519	6.3
109.10152	28.8
111.08099	9.5
117.07018	20.1
119.08584	49.7
121.10165	42.3
123.08115	9.4
123.11718	7.4
125.09661	5.5
127.03934	23.0
129.05479	12.3
129.07016	16.9
131.08600	25.2
133.10155	41.6
135.07994	4.8
135.11696	29.1
137.09615	5.5
143.08604	11.6
145.10144	25.7
147.11696	36.8
149.09618	5.5
149.13231	20.3
157.10071	12.1
159.11725	28.5
161.13286	13.6
163.11191	6.4
165.12758	8.6
171.11768	14.6
173.13251	12.4
175.14723	8.6
185.13297	8.2
187.14905	14.2
200.20045	6.1
205.15915	7.2
213.16484	6.2
231.21167	7.1
241.19582	15.9
259.20621	38.9
269.17474	5.9
277.21649	40.8
293.21011	5.9
310.40381	5.4
333.24295	8.8
351.25314	91.1
495.16760	5.5
495.28769	8.0
513.29724	15.4
513.36591	6.2
514.27588	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76424	3.1
54.00014	2.8
55.05505	13.7
57.03437	7.8
57.07063	4.0
61.02921	11.7
65.03951	3.0
67.05505	26.8
69.03426	7.0
69.07067	13.5
69.77089	6.2
69.77499	9.1
71.04974	4.6
73.02905	5.3
73.17975	2.8
79.05502	37.4
81.03431	7.6
81.07067	30.9
83.08615	9.1
83.19495	2.7
85.02928	15.0
86.42866	2.8
91.03941	5.4
91.05481	30.5
93.07044	47.3
95.04932	6.1
95.08620	23.9
97.02886	11.6
97.06525	4.0
99.04467	3.6
105.07033	41.0
107.04989	3.1
107.08616	30.2
109.02839	4.8
109.06553	3.2
109.10138	13.5
117.07006	7.1
119.08595	25.0
121.10156	25.5
123.11678	4.8
127.03901	5.1
129.06984	6.2
131.08557	15.0
133.10127	33.8
134.26033	2.7
135.08005	2.9
135.11661	20.9
143.08569	6.9
145.02913	4.5
145.10132	18.1
147.11658	21.8
149.09645	5.0
149.13243	14.7
155.08525	3.4
156.03926	3.4
157.10115	8.6
159.11676	12.4
161.09644	12.4
161.13301	12.2
167.07071	3.7
170.71660	4.0
171.11688	7.7
173.13235	7.6
175.14845	6.6
177.05490	10.0
185.13293	4.9
187.14758	4.5
189.09062	4.6
241.19482	21.2
259.20575	39.3
277.21588	6.4
285.10257	7.1
333.24252	10.4
344.09076	3.5
349.66061	4.1
351.25272	100.0
375.25336	4.2
424.63358	3.7
441.26614	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	512.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
57.03443	0.7
57.07064	2.1
59.04982	1.8
60.66724	0.6
67.05506	3.2
68.01215	0.6
68.06863	0.6
69.03416	2.3
69.07052	2.7
70.02935	2.0
71.08604	1.4
71.53994	1.0
71.54360	0.7
72.04517	6.2
72.80946	0.5
73.02909	1.8
79.05484	1.2
81.03416	3.9
81.07048	1.7
83.04954	1.0
85.02896	2.1
85.06538	3.5
86.09700	0.7
87.08073	0.7
90.05556	45.0
91.05466	4.3
93.07056	1.2
95.04955	3.8
95.08629	0.7
97.02926	2.9
98.01804	1.1
98.02401	8.1
99.04451	0.8
99.08140	1.0
100.03967	0.9
101.02361	1.1
103.05469	13.6
103.07579	3.0
105.03362	1.0
107.04963	1.4
109.02876	1.5
109.06542	0.6
113.06000	1.1
116.03455	7.7
116.39316	0.6
119.04932	7.3
124.07603	8.2
127.03922	1.3
131.04933	45.4
133.10057	1.0
135.11691	0.9
142.08661	4.0
147.04417	35.7
149.06001	3.7
151.11174	0.8
160.09680	1.1
163.03908	1.0
165.05643	0.8
166.08664	1.0
174.11249	1.0
184.09695	10.6
202.10744	17.9
220.11809	100.0
275.09250	1.7
287.05344	0.6
293.10181	2.5
309.09573	1.4
340.10410	0.7
415.19629	1.7
512.20093	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	512.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
56.05046	0.4
57.07079	11.4
58.06578	0.9
65.90858	0.3
67.05511	1.5
68.05007	0.4
69.07079	2.3
69.49151	1.7
70.06593	11.0
71.08633	6.3
72.08144	0.4
73.02911	1.5
76.46938	0.4
76.48176	0.3
81.07072	2.1
83.08598	1.6
85.10190	3.6
87.04464	0.3
88.07632	14.3
89.06041	2.2
95.03217	0.3
95.08615	2.7
95.13220	0.3
97.10143	1.0
102.09181	10.8
106.08649	0.7
107.08569	0.3
109.10145	0.9
121.25367	0.3
133.08582	1.8
177.11205	0.6
199.77228	0.3
212.23758	0.7
228.23236	3.7
228.76474	0.3
230.25116	0.4
256.26364	39.4
257.26813	0.5
274.27478	3.4
283.26328	42.1
311.29443	3.8
327.20175	1.4
413.02454	0.3
512.50403	100.0
513.50513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.3
55.01860	13.6
55.05513	44.1
57.03435	33.4
57.07056	5.4
61.02931	21.0
64.05145	3.5
65.03948	5.7
66.23251	3.4
67.05505	94.0
67.84749	3.4
69.03149	2.9
69.03433	33.3
69.06726	4.0
69.07070	45.0
69.77860	3.7
71.01353	3.4
71.04987	11.3
71.08597	4.6
73.02906	15.0
74.62419	2.9
79.05493	66.1
81.03413	32.1
81.07056	95.3
83.04974	11.5
83.08615	33.0
84.02415	3.3
85.02922	34.0
85.06540	5.7
91.03938	15.0
91.05478	61.1
93.07050	88.5
95.04955	14.9
95.08067	4.4
95.08609	62.8
97.02888	34.6
97.06535	16.8
97.10144	10.0
98.21514	8.2
99.04441	12.6
99.08077	8.8
101.02372	10.4
103.03933	8.7
105.07037	50.1
107.04939	6.5
107.08598	63.5
109.02858	12.4
109.06494	5.4
109.10170	33.5
111.04434	4.4
111.08089	8.4
113.09651	4.1
115.03938	5.9
117.07064	16.4
119.08582	53.2
121.06554	5.1
121.10157	42.0
123.08054	5.8
123.11691	7.9
125.09612	8.7
127.03912	17.7
129.05453	9.1
129.06990	12.0
131.08580	27.9
133.10144	39.8
135.08070	7.0
135.11713	33.7
137.09647	6.5
143.08559	13.8
145.04919	6.0
145.10173	22.2
147.08112	4.0
147.11699	38.2
149.13263	15.7
150.20000	3.4
151.11159	4.9
157.10124	10.0
159.11719	22.3
161.09677	6.2
161.13258	30.5
163.11186	9.3
163.14816	6.7
165.12714	8.3
171.11682	11.3
173.11871	4.4
173.13223	16.6
173.79065	3.3
175.11298	4.2
175.14777	7.8
177.12672	5.3
179.14325	13.5
183.11734	5.1
184.04785	3.5
185.13191	8.9
187.14795	4.5
189.12732	5.0
199.14886	5.1
201.07562	4.9
207.13750	4.4
213.16484	4.3
231.20895	5.3
241.19484	17.3
259.20526	43.0
277.21609	63.3
295.22729	5.7
333.24432	12.0
351.25360	100.0
375.25476	6.0
393.26483	4.6
421.25656	4.1
430.24207	4.0
495.29214	8.2
513.29968	14.6
513.35760	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	511.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.9
57.03430	5.4
57.07083	6.0
63.94467	1.0
67.05506	14.8
69.07072	24.6
71.08628	3.6
71.16814	1.8
71.38393	1.0
74.99903	0.9
79.05483	6.9
81.07053	15.3
83.08620	14.9
91.05489	1.9
93.07037	8.5
94.40535	0.9
95.08599	13.2
97.06512	2.4
97.08289	1.1
97.10172	8.4
98.83376	1.1
98.98466	23.9
107.08580	6.0
108.63054	1.1
109.10152	5.8
111.08090	1.3
111.11697	1.9
121.10162	8.1
123.11674	2.3
134.49326	1.1
135.11713	4.7
149.13251	2.8
151.85663	1.1
155.01050	12.8
173.02133	3.3
229.04858	1.5
247.05907	1.1
247.24214	1.6
265.25293	3.6
311.28369	1.0
339.28949	100.0
475.28244	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	512.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
51.49535	0.9
53.03933	2.5
55.05509	1.7
58.04041	0.8
61.02922	1.5
67.05492	2.5
69.03436	18.1
69.07061	1.2
71.04999	59.5
71.55093	1.5
79.05506	8.1
81.03427	4.5
81.07063	7.8
83.04964	1.4
84.18670	0.8
85.02911	5.5
89.03929	1.0
91.05482	4.5
93.07053	4.0
95.04984	3.3
95.08617	1.4
97.02901	11.1
97.06497	1.3
99.04444	4.1
103.05464	1.2
105.03404	2.1
105.07006	1.8
107.04963	100.0
107.08596	2.9
109.02892	14.8
109.10142	1.7
111.04449	1.0
117.03368	0.9
117.53923	0.8
119.04963	2.3
119.08572	1.7
121.10149	1.4
127.03928	24.2
131.04932	4.5
135.04430	6.1
135.11699	3.9
137.05937	0.8
139.03989	0.8
145.02872	4.6
145.04973	7.0
145.10117	1.0
147.04417	13.0
149.09569	1.0
153.12749	8.9
163.03917	48.6
163.11134	1.4
167.07037	1.1
169.12262	1.8
178.18977	0.9
181.04924	2.6
193.12149	1.1
197.08112	9.3
211.13365	1.7
215.09128	8.8
233.10214	52.3
258.22150	0.8
283.15521	1.1
307.08298	1.0
325.09210	5.3
362.44968	0.9
461.35413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41626	2.4
53.03949	16.6
53.39157	3.0
55.01862	12.9
55.05514	26.2
56.96561	2.6
57.03439	26.1
57.07076	4.9
61.02915	7.9
63.30131	2.6
65.03934	8.1
67.05506	80.6
69.03433	40.5
69.07067	27.7
69.42050	16.5
69.42458	6.6
71.04993	14.4
73.02911	6.7
79.05071	5.0
79.05499	66.6
81.03416	73.5
81.06587	4.9
81.07059	100.0
83.04979	27.4
83.08617	20.5
85.02905	36.9
85.06537	7.8
87.04465	4.1
91.04002	4.2
91.05482	71.7
93.07050	68.1
95.04980	25.6
95.08608	53.9
97.02885	33.6
97.06520	14.2
97.10158	8.5
98.97572	3.9
99.04463	14.1
99.08083	7.2
101.02386	5.0
103.03924	3.7
103.05472	4.4
105.03390	5.4
105.07033	56.6
107.04956	21.7
107.08596	40.1
109.02877	12.5
109.06503	9.3
109.10164	27.1
111.04444	17.4
111.08086	11.0
113.05984	3.9
113.09718	3.5
117.07026	25.1
119.04919	8.9
119.08572	49.3
121.06504	9.6
121.10139	32.0
123.04415	5.7
123.08054	10.6
123.11693	10.5
125.09634	9.0
127.03905	20.6
129.05475	8.0
129.06992	17.3
131.04840	3.6
131.08575	35.6
133.06491	5.8
133.10129	40.2
135.04356	3.1
135.08052	11.5
135.11679	21.7
137.05969	4.3
137.09633	12.3
141.06992	5.5
142.07832	3.5
143.08546	9.5
145.10121	33.4
147.04419	35.9
147.08083	8.2
147.11717	25.0
149.09633	17.9
149.13231	9.6
151.03893	5.0
151.11150	5.0
153.12723	4.4
155.08522	8.3
157.10057	15.7
157.26321	2.9
159.11658	16.1
161.05911	3.2
161.09589	5.4
161.13293	7.2
163.03870	4.3
163.11195	22.1
165.09132	5.7
165.12851	4.1
171.08073	4.2
171.11662	5.3
173.04477	15.1
173.09631	7.1
173.13228	8.6
175.11166	11.1
177.12784	6.1
181.12195	9.0
183.11642	7.0
189.12762	4.5
191.10681	11.6
193.08647	4.7
193.12241	24.0
195.13826	7.9
209.11746	8.8
211.13266	22.6
215.14334	3.4
219.13762	4.5
227.12767	9.4
229.19592	3.6
239.18053	4.9
247.20596	6.5
249.14812	4.9
252.09338	3.5
257.18967	11.5
259.20480	3.7
265.14374	16.8
267.15970	6.4
269.17535	8.6
275.20020	51.0
283.08688	3.2
283.15353	14.4
285.17154	5.2
293.21072	6.6
301.16504	4.1
331.22668	3.3
347.21848	3.2
347.86588	4.1
349.23788	46.8
383.22241	3.3
413.21634	19.6
434.93155	3.2
439.26608	3.8
457.25925	4.0
475.26669	12.3
475.33078	3.5
493.28183	20.3
511.12827	4.0
511.29822	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01876	1.4
55.05508	3.5
56.96557	1.0
57.03439	1.4
62.97690	0.6
65.03931	1.4
66.04725	0.9
67.05511	6.3
68.99783	0.8
69.03418	1.9
69.07067	2.5
71.05003	2.1
71.54383	1.1
76.23235	0.6
79.05491	5.6
81.03419	6.9
81.07066	8.4
83.04984	2.5
83.08618	1.9
85.02921	3.6
91.05489	12.1
93.07053	6.5
94.04215	4.0
95.04983	3.4
95.08622	4.0
97.02885	2.2
97.06521	1.7
97.10178	0.7
98.97578	2.3
99.04446	0.9
103.05478	5.0
105.07055	6.9
107.04974	3.5
107.08598	4.5
109.02899	1.7
109.06520	1.5
109.10164	2.3
111.04438	1.7
111.08097	0.8
115.05471	1.4
116.98609	0.8
117.07033	2.5
119.04969	4.4
119.08572	3.3
121.02891	1.1
121.06507	1.5
121.10166	2.8
122.03650	8.8
123.04430	1.4
123.08060	2.2
123.11726	0.8
125.09633	1.1
127.03979	0.9
128.06221	1.3
129.07011	2.6
131.04947	9.2
131.08588	2.9
131.78719	0.6
133.06483	4.4
133.10143	1.9
134.06850	1.1
135.08032	1.9
135.11687	1.8
136.05222	0.9
137.05988	100.0
139.03885	1.5
141.07031	1.3
143.08554	2.0
145.06520	2.3
145.10127	3.1
147.04430	9.2
147.08044	1.0
147.11694	2.1
148.04752	1.1
149.06035	2.1
149.09630	1.6
151.07555	22.8
151.11064	1.0
153.06929	0.8
153.09201	0.7
157.06483	1.5
159.08086	1.1
159.11786	1.4
161.06006	7.4
161.09566	0.7
162.06351	2.6
163.03873	2.3
163.07552	13.1
163.11276	0.9
165.05647	1.0
165.06958	3.2
165.09164	2.1
167.07211	1.5
167.08621	2.1
169.06487	1.1
171.08138	2.1
173.13379	1.1
174.06822	2.3
175.07558	3.9
175.11327	1.1
177.05553	1.7
177.09103	1.8
179.08589	1.5
179.11841	1.1
181.06485	1.1
182.07249	2.3
187.07520	1.3
188.08362	0.7
189.09091	4.5
191.10693	1.1
193.06523	2.2
193.08627	3.1
193.12254	3.9
194.07341	1.0
194.08989	2.2
195.08076	4.0
195.35956	0.7
197.05968	0.8
197.09621	0.7
197.12886	4.4
201.09225	1.7
203.10701	5.9
209.11752	2.1
210.06801	2.6
211.13315	4.1
213.09151	1.1
221.06017	4.9
221.09595	0.9
223.07709	1.5
224.08472	1.4
225.09198	3.1
227.07037	1.3
227.10602	4.7
238.06302	1.7
242.05904	1.6
249.09274	0.9
252.07907	1.8
253.08664	3.8
255.06352	0.9
255.10197	5.8
265.07486	1.1
265.14450	0.9
267.10229	4.1
270.05344	1.0
279.10260	1.4
283.15384	1.9
285.11227	9.8
287.12848	11.3
305.11819	1.5
307.13290	1.0
311.05627	1.8
313.14407	2.9
325.14352	1.7
337.14233	1.3
347.60010	0.8
349.19839	1.8
351.15948	4.6
383.22638	0.8
391.14163	1.0
415.19028	2.1
443.18600	2.0
475.21097	1.4
493.28033	2.8
511.18964	2.0
511.25211	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.80588	0.5
55.05513	2.5
57.03421	0.9
59.05651	0.5
67.05186	0.5
67.05505	4.0
69.03432	2.6
69.07050	1.7
71.04980	0.8
79.05489	5.0
81.03413	3.2
81.07066	6.6
83.04993	1.4
83.08615	1.5
84.96042	0.5
85.02908	2.5
91.05471	4.5
93.07051	6.1
94.07393	0.8
95.04968	1.9
95.08611	2.7
97.02889	1.5
97.06503	1.5
97.10173	0.9
98.20725	1.2
98.97571	1.1
99.04481	0.5
100.11182	0.6
103.05444	0.6
105.03409	4.0
105.07036	3.4
107.04988	3.1
107.08607	3.5
109.02861	1.1
109.06510	1.6
109.10162	2.0
111.04412	1.5
111.08034	0.6
117.07011	1.3
119.04933	1.4
119.08594	2.8
121.06503	1.1
121.10140	5.5
122.10468	1.0
123.04388	1.2
123.08046	1.1
123.11720	0.9
125.09665	0.8
127.03907	0.9
127.07534	0.5
127.58104	0.5
129.07011	1.2
131.04951	1.1
131.08524	1.6
133.06491	1.2
133.10126	1.5
135.08006	1.8
135.11684	1.6
137.06001	2.7
138.09125	0.6
139.03932	0.8
145.10129	3.0
147.04420	5.4
147.11676	1.1
148.04736	1.0
149.09607	1.4
151.03871	0.9
151.07545	0.7
153.09142	0.6
157.10129	0.9
158.99632	0.5
161.09653	0.7
163.03937	1.5
163.11191	3.5
167.07018	0.6
177.05400	1.4
188.49811	0.5
191.10571	0.6
193.12241	1.7
197.12920	0.6
203.10440	1.2
206.92880	0.5
209.11752	0.8
211.13277	1.9
267.15878	0.9
283.15280	0.9
316.74844	0.5
347.07278	0.7
349.08987	7.0
493.28052	1.2
511.19257	100.0
511.25156	6.8
512.19733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1943
Annotation	SCHEMBL504410
Peak:m/z	Relative Intensity
53.03934	0.9
55.05504	1.4
56.96563	0.7
57.03426	0.6
67.05508	2.8
69.03416	1.5
69.07058	1.7
71.04981	0.5
71.05992	0.7
74.74241	0.4
75.04488	0.3
75.19168	0.4
79.05496	4.0
81.03417	3.1
81.07056	4.0
83.04966	1.1
83.08618	0.9
85.02885	1.4
85.06507	0.4
91.05478	3.5
93.07050	6.0
95.04964	1.4
95.08598	1.6
97.02905	0.9
97.06532	1.0
97.10175	0.5
98.97581	0.4
105.03409	3.4
105.07027	3.0
107.04933	3.2
107.08579	2.5
109.02869	0.7
109.06514	0.8
109.10140	1.2
111.04447	1.0
111.08065	0.5
117.07005	1.0
119.04939	0.5
119.08585	2.3
121.06480	0.8
121.10144	4.6
122.10484	0.8
123.04435	0.7
123.08060	0.9
123.29470	0.4
125.09591	0.4
127.03881	0.5
130.07793	0.5
131.08560	0.9
133.10158	1.2
135.08066	0.9
135.11702	1.0
137.05948	1.7
145.10155	3.7
147.04416	4.2
147.08031	0.5
147.11707	0.7
148.04768	1.1
149.09641	1.2
161.09703	0.4
163.03902	0.7
163.11169	3.1
177.05540	0.5
185.09375	0.6
191.10541	0.5
193.12141	1.1
197.12794	0.6
203.10503	1.2
209.11711	1.3
211.13261	1.2
227.12666	0.5
283.15540	0.9
289.07010	0.4
347.07333	1.0
349.08881	6.3
462.18994	0.4
474.00595	0.4
493.27701	0.7
511.19330	100.0
511.25082	4.7
512.19720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.6
51.02364	1.3
52.29443	0.4
53.03947	6.8
55.01860	0.8
55.05490	0.6
65.03905	1.1
67.05494	1.0
69.03430	3.9
69.37184	2.5
69.86877	0.3
71.01347	0.5
77.03911	1.8
79.05077	0.5
79.05496	6.3
81.03422	4.0
81.07066	1.1
81.37185	0.3
83.04968	1.4
84.10884	0.4
85.02890	0.6
85.35441	0.3
91.05462	1.4
93.03403	1.2
93.07029	0.5
95.04366	0.7
95.04971	12.0
97.02893	1.6
98.20754	0.7
99.04486	0.7
105.03396	100.0
105.04540	4.0
105.07021	0.8
107.04959	51.7
109.02890	3.2
111.04443	4.3
117.07039	0.5
119.04949	0.8
119.08573	0.5
121.02871	4.2
121.06514	0.5
123.04427	1.2
127.03946	3.4
128.06291	0.4
131.04944	1.1
135.04436	2.5
139.03883	4.0
141.05455	0.5
145.06467	0.7
147.04471	1.2
147.08038	0.6
153.05530	0.5
157.06520	0.4
161.05971	0.9
163.03889	0.9
166.51431	0.4
171.04564	0.5
173.05994	0.9
177.05521	0.5
181.04994	0.7
185.05984	0.5
191.07124	0.7
197.06017	0.6
201.05533	0.4
203.07140	1.5
211.07657	0.8
215.07176	1.3
219.06671	1.0
231.06686	1.6
237.07683	1.3
249.07622	3.6
263.81161	0.4
265.07111	2.0
273.03891	0.7
315.78186	0.4
387.11154	1.2
405.11780	5.5
457.12796	0.3
511.12686	0.9
511.29950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1943
Annotation	PHYSALIN B
Peak:m/z	Relative Intensity
51.16166	0.3
55.05513	0.8
67.05524	0.9
69.03427	0.6
70.66589	0.4
71.05047	0.4
71.56919	0.4
79.05499	1.4
81.03413	0.6
81.07060	3.0
83.08638	0.4
85.02889	0.7
91.05476	1.2
93.07055	2.6
95.04981	0.7
95.08614	1.1
98.97591	0.6
105.07017	1.1
107.08578	1.5
109.02855	0.4
109.06527	0.7
117.06985	0.5
119.08600	1.4
121.06495	0.5
121.10170	2.2
127.07584	0.6
135.08070	0.5
135.11678	0.5
135.42632	0.4
145.02800	0.5
145.10118	2.2
147.04417	2.3
148.04706	0.4
158.99609	0.6
163.03958	0.4
163.11209	2.9
177.05408	0.4
185.09337	0.7
190.06256	0.4
203.10515	1.0
276.97946	0.4
287.60388	0.5
302.13837	1.5
349.09003	5.5
365.28265	0.4
430.12607	0.4
467.99887	0.6
505.22528	0.4
511.19394	100.0
512.19598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3548
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.01148	0.3
55.05506	0.9
56.05026	1.0
57.03431	1.0
57.07079	5.3
57.98706	0.3
58.06607	1.5
58.12011	0.3
60.08164	18.7
67.05508	3.2
68.05812	0.4
69.07082	1.6
69.28683	0.9
69.29102	2.3
70.07355	0.4
71.07374	6.0
71.08633	3.7
75.04519	0.3
75.55784	0.4
79.05483	0.8
81.07059	3.0
82.07390	0.4
83.08624	1.6
85.10182	2.2
86.09706	51.9
93.07033	0.7
95.08608	4.2
96.08941	0.4
97.10166	1.2
98.98473	5.2
104.10745	100.0
109.10169	1.4
109.69048	0.4
123.11721	0.7
125.00004	27.6
139.03917	0.4
155.01059	0.8
163.01540	0.6
166.41261	0.4
184.07341	93.6
219.22466	0.3
224.74716	0.3
239.23666	1.7
258.10962	0.8
313.27368	7.1
313.30725	0.5
327.29025	1.3
331.28391	0.7
337.27405	0.6
338.27682	4.8
474.27542	0.4
492.34525	10.0
510.35559	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	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.4
57.03432	4.0
57.07080	36.2
61.02915	3.6
67.05505	10.4
69.07079	7.1
71.08640	27.7
71.27047	1.7
75.04465	2.2
81.07072	15.7
83.08626	10.2
85.02894	4.0
85.09728	1.4
85.10188	17.6
86.09720	2.0
91.03970	1.1
95.08612	22.3
97.02868	1.6
97.10175	6.9
99.11719	1.8
104.10733	3.6
109.10156	10.6
119.96403	1.1
123.11703	4.5
125.94312	0.9
129.05728	0.9
133.18430	0.9
137.13251	1.6
144.73795	1.0
144.83495	1.0
151.14845	1.1
184.07343	4.0
188.72083	1.1
189.09508	0.9
206.53758	1.0
221.22705	1.1
239.23715	27.4
257.24744	5.2
298.27435	1.1
313.27383	100.0
314.27518	1.1
331.28433	19.6
355.42346	1.0
369.33517	1.0
500.96558	1.1
510.35532	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21980	3.4
53.03938	5.9
55.01870	8.0
55.05510	36.1
56.96559	5.8
57.03422	5.8
57.07085	19.1
58.92313	2.9
65.03949	2.9
67.05511	47.0
69.03425	13.9
69.07074	42.6
69.34588	26.6
71.04977	7.2
71.08619	5.8
79.05502	40.7
81.03426	17.4
81.07061	100.0
83.04995	8.1
83.08622	28.6
85.02905	17.6
85.06563	14.7
91.05492	30.7
93.07056	46.4
95.04978	26.1
95.08615	82.4
97.02888	8.9
97.06545	4.6
97.10166	26.5
98.70583	3.4
98.97598	7.6
99.04385	2.8
99.08068	5.7
105.03394	25.3
105.04530	3.9
105.07027	20.1
107.04956	21.8
107.08591	35.0
109.02876	4.4
109.06517	14.5
109.10164	54.4
111.08097	4.1
111.11721	13.0
113.09597	3.4
117.03375	3.3
117.06998	6.8
119.04948	5.3
119.08581	22.1
121.02879	7.6
121.06516	11.5
121.10152	29.8
123.04425	14.3
123.08085	8.2
123.11716	30.8
125.09637	14.0
125.13297	5.8
126.01212	3.4
127.03916	11.8
127.07614	3.8
129.06949	5.8
131.08549	12.5
133.10106	14.6
135.04448	5.0
135.08069	22.8
135.11723	20.9
136.11443	3.2
137.05975	11.9
137.09610	6.0
137.13272	13.7
139.03928	10.3
139.07472	3.5
139.14786	4.0
145.02864	11.1
145.04942	3.1
145.06435	8.0
145.10130	16.4
147.04428	35.9
147.07974	5.1
147.11641	6.2
149.06006	5.3
149.09647	11.0
149.13272	19.4
151.03925	5.3
151.11200	4.3
151.14818	15.5
153.12772	7.2
157.10121	10.1
159.11678	8.9
161.05943	4.3
161.09619	4.4
163.03929	7.5
163.11195	39.3
163.14786	7.8
165.09073	4.6
165.16441	4.8
166.90921	3.2
167.07063	3.0
167.10625	3.4
167.14383	3.2
169.09920	3.9
169.12274	3.4
169.15819	3.4
171.08296	4.0
173.13222	5.8
175.11211	4.4
175.15059	3.1
177.05511	27.0
178.05881	2.8
179.18022	4.2
183.17445	5.0
187.11171	9.3
189.11166	5.8
193.12280	9.1
197.13382	5.0
199.11319	4.5
199.13182	6.5
207.20883	3.8
211.13303	8.6
215.10728	7.5
219.13936	8.3
225.22148	4.1
233.11815	10.4
245.11771	10.5
250.09685	3.9
263.12863	4.3
267.08679	4.7
273.14542	3.2
275.27344	8.5
289.04825	3.5
293.17477	4.6
293.28421	25.6
303.01660	4.2
303.08514	4.6
311.29517	10.7
345.17999	3.5
349.21472	4.0
367.22772	15.0
385.23669	15.4
387.09186	2.9
393.61371	3.1
403.24756	6.6
459.27515	30.9
477.28458	10.0
489.19461	3.4
491.29340	6.1
509.22787	42.4
528.94312	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.9
53.45940	4.0
55.01870	19.1
55.05513	44.7
56.96582	3.8
57.03426	14.1
62.63445	3.8
65.79304	3.4
67.05185	3.8
67.05509	56.4
69.03440	8.0
69.07068	26.8
71.04996	19.7
77.03934	4.8
77.91983	3.7
79.05498	68.6
81.03412	21.8
81.07058	76.6
83.04965	12.3
83.08630	23.7
85.06528	8.7
91.05482	45.2
93.07048	66.7
95.04977	49.6
95.08620	28.3
97.06527	10.6
97.10181	36.3
105.07043	35.7
107.04950	47.4
107.08613	32.2
109.06528	38.0
109.10162	19.0
111.08069	8.0
114.97646	3.5
117.07033	19.8
119.08599	21.5
120.97662	3.8
121.06493	31.1
121.10164	26.1
123.08080	10.8
123.11742	6.5
125.09642	27.8
129.07001	14.9
131.04898	6.1
131.08565	27.4
132.96243	4.4
133.06444	6.7
133.10124	16.4
135.08031	22.9
135.11700	10.3
137.05978	8.1
141.06996	4.5
143.08591	8.6
145.02832	7.1
145.06487	21.1
145.10144	17.5
147.04404	17.6
147.08023	10.3
147.11708	11.4
149.09610	15.7
151.54607	3.5
153.09195	4.3
153.12817	4.9
155.08554	5.8
157.06456	5.6
157.10120	10.0
159.08009	4.6
159.11711	5.9
161.09644	6.0
163.07611	4.1
163.11208	18.4
165.09161	6.8
167.10687	4.2
169.10126	6.4
171.08041	6.4
171.10219	4.0
173.13278	8.4
175.11177	7.0
177.05501	14.5
189.11229	15.9
191.14285	8.2
193.12231	7.2
197.13304	6.3
199.13272	14.2
201.12767	8.0
205.12163	5.1
211.13295	6.4
215.14088	5.0
219.13734	23.3
223.11166	4.1
227.12761	20.5
233.15381	15.0
234.26068	4.4
237.12689	5.0
237.14816	4.8
249.14757	5.1
255.13800	6.6
257.15399	3.8
267.15768	7.2
273.14658	7.7
273.17130	11.0
275.16397	5.1
293.17520	22.5
339.22968	4.4
349.21552	16.4
367.22672	59.8
385.23776	54.1
403.24774	16.7
435.27487	7.0
441.26141	11.9
441.31857	4.5
459.21234	7.1
459.27438	100.0
477.28513	60.5
491.30264	31.7
509.23227	47.0
509.30777	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01870	0.8
55.05518	11.2
57.03440	6.5
57.07060	2.2
61.38826	0.6
65.03935	2.1
67.05510	33.4
69.06728	1.2
69.07074	14.6
70.57425	0.9
70.57785	2.0
71.08629	0.9
79.05500	9.1
81.07063	34.7
83.04986	1.1
83.08628	7.3
85.10220	0.9
86.09692	2.0
91.05486	5.5
93.07050	10.4
95.04990	1.1
95.08612	28.9
97.06510	2.5
97.10189	3.3
98.98473	35.3
104.10745	2.6
105.04519	0.8
105.07030	4.1
107.08619	5.0
109.10171	8.9
111.08096	1.0
116.99427	0.8
119.08574	4.4
120.67989	0.6
121.10140	5.2
123.11731	4.7
125.09620	0.8
131.08543	0.9
133.10104	3.5
135.11703	2.7
137.13245	2.3
147.11696	2.2
149.13258	1.9
151.14792	1.0
155.01042	16.0
161.13261	2.2
163.14861	1.5
173.02151	4.4
173.13530	0.9
175.14890	1.0
184.07353	2.8
211.03595	1.3
229.04774	3.0
245.22673	2.5
247.05789	3.0
249.18224	0.8
263.23724	5.1
296.01398	0.8
303.21271	0.8
319.26379	1.7
335.39639	0.7
337.27380	100.0
338.27884	0.7
456.71912	0.7
473.26654	6.9
509.34949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	15.1
55.01863	16.2
55.05513	59.8
57.03436	12.5
57.07080	7.0
59.05003	5.2
59.52627	4.7
65.03933	4.9
67.05180	7.0
67.05507	92.7
69.03416	11.4
69.07079	27.7
69.66769	25.2
71.04976	17.5
79.05072	6.3
79.05496	86.8
81.03413	43.3
81.07059	91.9
83.04969	16.0
83.08626	38.0
85.02898	16.5
85.06532	12.5
91.05478	58.5
93.07050	82.9
95.04968	50.5
95.08601	41.7
96.32346	4.4
97.02888	8.2
97.06530	17.4
97.10173	50.4
98.20782	6.5
105.03365	8.0
105.07026	42.0
107.04955	52.0
107.08583	45.5
109.06519	45.1
109.10146	35.1
111.08057	8.6
115.05470	5.0
117.07011	22.9
119.04961	5.7
119.08580	34.5
121.06515	39.8
121.10159	44.2
123.04450	5.5
123.08082	13.2
123.11754	6.2
125.09630	45.2
125.10461	6.8
127.03930	6.0
129.06970	18.9
131.04929	7.3
131.08586	34.2
133.10123	16.9
135.08067	26.1
135.11668	15.2
137.05981	6.0
139.11183	8.9
143.08578	14.6
145.06464	17.6
145.10124	27.1
147.04451	6.8
147.08038	8.3
147.11621	10.7
148.19501	4.1
149.06015	5.2
149.09608	25.0
151.11172	6.6
152.63641	4.2
153.09064	11.0
153.12726	9.4
155.08572	7.9
157.10146	17.7
159.08043	10.9
159.11652	9.5
161.05905	5.9
161.09601	9.0
163.11121	24.0
165.12660	4.8
167.10680	11.1
169.10139	7.3
171.08008	7.1
171.11667	7.7
173.09695	6.4
173.11737	5.8
175.07590	5.4
175.11180	7.4
177.12675	6.2
181.12227	6.0
189.11267	22.8
193.12238	22.4
195.11638	4.6
197.13330	6.7
199.11095	5.0
199.13268	14.2
202.00488	5.3
205.12228	8.1
211.13309	6.2
215.14264	6.1
219.13811	21.7
223.13235	6.4
227.12677	22.3
233.15408	13.1
237.14793	6.8
241.14230	8.7
261.14859	5.2
267.15945	15.0
273.14551	7.5
273.17029	13.9
275.16455	10.8
293.17444	17.2
294.21713	5.1
303.27451	4.2
339.23169	7.3
349.21576	18.8
357.24106	9.0
367.22632	43.2
368.24936	9.1
385.23752	66.9
403.24683	19.3
441.26303	17.3
459.21320	6.3
459.27448	100.0
477.28384	82.4
491.30484	32.0
509.30609	41.8
539.56598	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	509.1298
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03940	0.7
55.01874	0.7
57.03438	1.1
61.02921	1.0
68.99801	0.7
69.03430	4.2
69.54719	1.9
71.04984	1.1
79.05505	0.7
81.03407	1.6
85.02908	9.1
87.04441	0.6
90.34468	0.4
91.03967	0.4
91.05437	0.6
95.04962	0.7
97.02901	3.0
97.28693	0.4
100.17497	0.4
101.86121	0.5
105.03412	1.2
107.04953	1.0
107.08632	0.7
109.02863	1.3
111.04456	0.7
119.04921	0.5
121.02864	0.9
121.10140	0.6
123.04439	0.5
127.03918	1.5
137.02348	0.9
137.05972	0.6
139.03889	3.7
139.11182	0.5
145.04950	1.6
147.04416	1.5
150.03073	0.6
151.03935	0.6
153.01840	5.8
153.05479	4.2
161.05986	0.4
163.03888	0.5
163.11349	0.4
165.01866	2.6
177.05484	0.5
181.04962	2.2
183.02911	0.7
207.06577	0.7
213.05391	0.5
216.04214	0.6
223.13271	0.4
229.05022	1.3
230.05798	0.5
231.06503	1.2
234.05305	0.4
243.02960	0.5
244.03683	0.9
255.03035	0.7
257.04431	1.1
258.05264	5.5
259.06042	1.9
269.04514	1.5
284.03293	0.5
285.03952	2.1
286.04730	4.8
287.05554	8.6
289.03467	0.7
291.08530	1.7
302.03946	0.6
303.04996	3.0
313.03552	0.8
314.04181	1.4
315.04984	3.2
316.05435	1.2
317.05716	1.1
318.07297	0.7
330.14212	0.7
331.04468	4.4
331.08136	2.4
332.05045	2.4
332.08493	1.4
333.08789	3.9
347.07623	100.0
348.08078	0.9
463.88718	0.5
509.11960	0.8
509.18890	1.1
509.23965	0.6
518.27295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2001
Annotation	Hypochoeroside E
Peak:m/z	Relative Intensity
57.03428	1.1
69.03439	1.1
70.04099	3.8
79.05476	0.9
81.03405	0.9
85.02906	3.3
88.34064	0.9
91.03970	0.8
93.07031	1.5
97.02844	1.7
98.97611	1.3
121.10197	1.2
125.26150	0.7
127.03915	1.4
147.04424	2.2
156.25951	0.8
163.03780	0.9
165.55563	0.9
169.04799	2.2
181.04726	1.2
207.10141	1.3
208.14214	1.1
219.01724	2.2
220.53960	0.8
221.55626	0.9
237.02800	2.1
257.54507	0.8
264.07614	1.9
349.11954	1.1
351.14114	12.9
365.08905	1.3
367.13620	10.2
369.15198	3.0
383.10373	1.3
447.19931	67.1
463.19431	17.2
464.23349	0.9
491.18924	12.2
509.19955	100.0
510.20413	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01867	2.1
55.05265	1.8
55.05514	24.5
57.03442	9.0
57.07075	8.8
59.04996	3.5
61.29575	1.3
65.02195	1.1
65.03931	3.8
67.05507	100.0
69.03455	1.6
69.07072	16.7
71.05006	3.5
71.08620	5.2
79.05065	2.3
79.05495	31.1
81.03418	3.5
81.07057	66.3
83.04983	1.5
83.08619	14.4
85.06540	2.6
85.10161	2.2
91.05479	23.4
92.21002	1.2
93.07043	37.2
95.04959	3.7
95.08609	45.2
97.06518	3.7
97.10158	11.5
99.08082	2.5
105.07034	18.4
107.08602	23.9
109.06483	1.6
109.10159	64.0
111.08065	4.4
117.07027	6.5
119.07816	1.4
119.08597	19.1
120.88079	1.2
121.10149	18.8
123.08098	2.2
123.11713	9.0
125.09642	9.1
129.06993	2.5
131.08578	14.5
133.10136	14.0
135.08107	2.0
135.11705	14.3
137.09584	3.9
137.13281	2.3
139.11214	1.7
143.08549	3.5
145.10132	12.4
145.77856	1.1
147.11682	10.5
149.13281	9.0
155.10701	3.2
157.10083	2.5
159.11671	8.6
161.13206	5.9
163.14833	4.3
171.10251	1.1
171.11630	2.7
173.11751	12.9
173.13304	9.0
175.11273	1.6
175.14789	2.2
176.99251	1.9
177.12688	1.3
177.16290	1.4
178.02924	1.1
183.11746	1.9
185.13261	2.6
187.14836	4.8
189.11217	5.6
189.16377	2.0
194.06100	1.1
195.00301	4.3
195.01901	1.2
195.13766	1.8
199.14819	1.9
201.16403	2.8
209.11618	1.6
213.14836	1.4
213.16576	1.4
227.12801	11.4
229.14363	39.3
239.23698	2.0
243.21089	3.0
259.20639	2.6
261.22171	21.6
263.23550	1.5
277.21643	1.6
289.21689	1.9
303.23340	1.3
313.27545	2.8
317.24838	4.2
335.22021	2.5
335.25797	29.1
379.29996	4.4
397.26340	1.3
397.30865	7.7
415.22458	1.3
415.32114	8.2
433.33151	5.9
435.31512	1.3
443.18082	1.3
471.34332	6.5
489.35767	58.1
507.26923	19.8
507.36951	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
52.49992	1.3
53.03937	2.1
53.28446	1.2
53.51265	1.1
55.01874	2.5
55.05512	25.7
57.03444	8.8
57.07084	8.1
57.38103	1.1
58.71445	1.3
59.04989	2.4
59.41827	1.2
65.03934	2.7
67.05510	100.0
69.06725	1.5
69.07071	14.4
70.79296	3.6
71.04971	2.5
71.08619	5.2
79.05076	1.9
79.05499	31.6
79.35904	1.4
81.03408	4.7
81.07061	61.6
83.04964	2.5
83.08621	17.7
85.06546	3.8
85.10188	2.6
91.05481	21.3
93.06485	2.5
93.07047	39.7
95.04974	3.9
95.08614	43.9
97.06550	3.2
97.10167	15.6
105.07039	17.2
107.08604	23.3
109.06489	2.1
109.10162	57.5
111.08086	4.9
113.09631	1.7
114.43264	1.3
117.07025	8.1
119.08587	17.1
121.10143	17.0
123.11729	8.8
125.09623	11.5
129.06993	3.2
131.08565	14.8
133.10139	13.3
135.08023	2.6
135.11731	14.6
137.09625	3.0
137.13258	3.6
139.11211	3.1
143.08583	3.2
145.10130	10.2
147.11690	9.9
149.13298	9.5
153.08995	1.3
155.10680	3.1
157.10081	2.2
159.11719	8.4
161.13264	5.6
161.89427	1.3
163.11168	2.5
163.14815	4.4
168.35532	1.3
171.11639	2.5
173.11723	13.2
173.13269	7.8
175.14813	3.9
183.11635	1.5
185.13304	2.6
187.14836	4.7
189.11220	9.4
193.12273	2.3
194.12495	1.8
195.00345	3.9
195.11899	1.4
201.16437	1.7
203.12610	1.5
227.12830	10.3
229.14372	37.1
231.15877	1.8
243.21024	5.0
249.18456	2.0
259.20569	3.0
261.22144	31.3
263.23770	2.7
279.23184	2.7
283.69818	1.6
297.21780	1.6
313.27545	2.3
317.24667	5.8
335.25818	29.4
357.27640	1.9
379.29999	4.1
397.30988	7.2
415.32062	8.4
433.33170	5.0
435.31015	1.5
471.34637	4.8
475.81528	1.5
489.35776	65.0
507.26968	26.2
507.37000	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	507.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66146	0.3
53.03931	0.5
55.05512	1.4
56.96567	0.5
57.03441	0.4
57.07072	0.6
65.03932	0.6
67.05177	0.4
67.05508	5.4
69.03432	1.3
69.07070	1.3
70.14143	0.3
71.04994	2.0
71.54860	0.5
74.06086	0.3
79.05502	1.3
81.03413	1.2
81.07066	4.4
83.04967	1.0
83.08627	0.6
85.02913	1.8
85.06548	1.0
91.05486	3.1
93.07047	2.4
95.04961	1.1
95.08612	7.6
97.02880	0.5
97.06548	0.7
97.10188	0.3
98.97590	0.5
99.04455	0.8
99.08094	0.4
101.06035	0.3
105.07045	1.7
107.04958	0.8
107.08605	2.0
109.02879	0.9
109.06541	1.5
109.10166	6.7
111.08073	0.4
113.05990	1.4
113.09621	0.6
117.03368	1.1
117.07040	0.3
119.04945	1.1
119.07043	0.2
119.08597	3.5
121.02848	0.5
121.06518	1.6
121.10150	1.9
122.07370	1.7
123.04457	0.3
123.08068	1.7
123.11701	2.7
125.09613	0.3
127.03922	0.8
129.05473	0.6
129.09111	0.3
131.04942	0.5
131.08560	0.4
133.06480	0.7
133.10114	0.8
135.08034	0.6
135.11667	0.6
137.05963	1.0
137.09627	11.8
137.13229	0.4
139.03894	2.8
139.07535	0.3
141.09131	2.6
145.02853	3.3
145.04971	0.5
145.06351	0.3
145.10153	0.5
147.04422	5.3
147.11687	0.7
148.04770	0.6
149.06001	0.5
149.09604	0.9
149.13239	0.6
151.03893	0.6
151.07555	2.0
151.11182	1.3
153.08954	0.3
155.10672	0.6
157.08580	0.6
159.11674	0.4
161.09691	0.4
161.13248	0.4
163.03906	0.6
163.07492	0.4
163.11195	2.4
164.11522	1.5
165.09123	100.0
166.09447	0.6
167.07077	0.5
169.04984	0.6
169.08621	0.8
171.11647	0.4
173.11766	0.3
173.13274	0.4
174.10495	0.3
175.11221	0.5
175.14726	0.3
177.05493	7.1
177.09119	0.3
177.12668	0.3
179.10657	0.7
183.11710	0.3
185.09782	0.4
187.09660	2.6
187.11172	0.6
187.14708	0.3
189.12825	0.4
191.10748	0.5
193.08685	0.3
199.07619	0.3
203.10652	0.7
203.14346	0.4
205.12276	1.6
209.90581	0.3
239.02307	0.3
240.38818	0.3
248.13490	0.3
291.23260	0.6
299.54752	0.3
307.22479	0.3
309.09756	0.3
315.04944	0.3
317.21115	0.4
329.13791	0.5
337.23782	2.2
345.09921	1.4
345.16846	0.9
351.12042	0.4
384.36371	0.3
425.30359	0.4
443.31641	0.3
471.31284	0.6
489.32462	1.2
506.50940	0.3
507.15079	1.0
507.21939	4.6
507.32910	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05512	8.9
55.66486	1.0
57.01927	1.0
57.03192	0.9
57.03445	7.1
57.07078	1.7
65.03934	2.6
67.05508	42.3
69.07075	12.1
69.77579	2.0
69.77986	3.8
71.05013	1.4
79.05496	27.4
81.07056	37.9
83.04982	1.6
83.08619	7.1
84.38257	0.9
85.06524	1.3
91.05480	13.1
93.07049	33.7
95.04979	1.8
95.08611	29.8
97.06539	2.2
97.10178	2.8
98.98470	45.8
105.04537	1.3
105.07015	11.3
107.08591	18.2
109.10165	13.1
111.08119	1.6
113.90891	1.0
117.07012	2.8
119.08569	10.6
121.10152	12.6
123.08059	1.1
123.11700	4.1
125.09639	1.3
131.08559	6.8
133.10149	8.6
135.11685	9.4
137.13261	1.5
139.11174	1.0
145.10139	4.9
147.11736	5.4
149.13231	5.4
155.01036	16.6
159.11736	3.2
161.13275	5.1
163.14886	2.7
173.02072	5.4
173.13271	3.0
175.14821	2.1
187.14807	1.8
211.03653	1.4
229.04706	2.4
231.69643	0.8
243.21140	5.4
247.05835	3.2
261.22110	10.2
266.39798	0.9
317.24802	8.3
335.25812	100.0
336.26071	1.4
415.22223	1.3
471.24609	5.6
507.29160	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	507.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66146	0.3
53.03931	0.5
55.05512	1.4
56.96567	0.5
57.03441	0.4
57.07072	0.6
65.03932	0.6
67.05177	0.4
67.05508	5.4
69.03432	1.3
69.07070	1.3
70.14143	0.3
71.04994	2.0
71.54860	0.5
74.06086	0.3
79.05502	1.3
81.03413	1.2
81.07066	4.4
83.04967	1.0
83.08627	0.6
85.02913	1.8
85.06548	1.0
91.05486	3.1
93.07047	2.4
95.04961	1.1
95.08612	7.6
97.02880	0.5
97.06548	0.7
97.10188	0.3
98.97590	0.5
99.04455	0.8
99.08094	0.4
101.06035	0.3
105.07045	1.7
107.04958	0.8
107.08605	2.0
109.02879	0.9
109.06541	1.5
109.10166	6.7
111.08073	0.4
113.05990	1.4
113.09621	0.6
117.03368	1.1
117.07040	0.3
119.04945	1.1
119.07043	0.2
119.08597	3.5
121.02848	0.5
121.06518	1.6
121.10150	1.9
122.07370	1.7
123.04457	0.3
123.08068	1.7
123.11701	2.7
125.09613	0.3
127.03922	0.8
129.05473	0.6
129.09111	0.3
131.04942	0.5
131.08560	0.4
133.06480	0.7
133.10114	0.8
135.08034	0.6
135.11667	0.6
137.05963	1.0
137.09627	11.8
137.13229	0.4
139.03894	2.8
139.07535	0.3
141.09131	2.6
145.02853	3.3
145.04971	0.5
145.06351	0.3
145.10153	0.5
147.04422	5.3
147.11687	0.7
148.04770	0.6
149.06001	0.5
149.09604	0.9
149.13239	0.6
151.03893	0.6
151.07555	2.0
151.11182	1.3
153.08954	0.3
155.10672	0.6
157.08580	0.6
159.11674	0.4
161.09691	0.4
161.13248	0.4
163.03906	0.6
163.07492	0.4
163.11195	2.4
164.11522	1.5
165.09123	100.0
166.09447	0.6
167.07077	0.5
169.04984	0.6
169.08621	0.8
171.11647	0.4
173.11766	0.3
173.13274	0.4
174.10495	0.3
175.11221	0.5
175.14726	0.3
177.05493	7.1
177.09119	0.3
177.12668	0.3
179.10657	0.7
183.11710	0.3
185.09782	0.4
187.09660	2.6
187.11172	0.6
187.14708	0.3
189.12825	0.4
191.10748	0.5
193.08685	0.3
199.07619	0.3
203.10652	0.7
203.14346	0.4
205.12276	1.6
209.90581	0.3
239.02307	0.3
240.38818	0.3
248.13490	0.3
291.23260	0.6
299.54752	0.3
307.22479	0.3
309.09756	0.3
315.04944	0.3
317.21115	0.4
329.13791	0.5
337.23782	2.2
345.09921	1.4
345.16846	0.9
351.12042	0.4
384.36371	0.3
425.30359	0.4
443.31641	0.3
471.31284	0.6
489.32462	1.2
506.50940	0.3
507.15079	1.0
507.21939	4.6
507.32910	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1134
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
56.96541	0.3
60.30728	0.2
67.05496	0.3
69.03425	0.3
70.06579	0.2
71.54082	0.2
79.05418	0.3
81.07040	0.4
86.09697	0.4
91.05466	0.5
93.07028	0.4
105.06982	0.2
107.04961	0.2
107.08563	0.4
109.02831	0.2
127.03911	0.3
131.04901	0.3
137.05943	1.1
145.10078	0.4
147.04401	0.6
153.01837	0.5
165.05458	0.2
171.77780	0.3
178.02646	0.4
234.52226	0.2
240.28099	0.2
242.05748	1.8
253.04961	0.3
258.05215	1.5
269.04395	0.2
270.05255	7.4
273.03992	1.1
286.04764	1.2
287.05505	3.3
298.04800	0.2
299.05417	0.6
301.03366	1.6
302.04263	2.1
313.03500	0.7
315.04990	32.1
316.05743	3.8
331.08124	100.0
332.08289	0.6
507.11368	4.9
507.18570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01875	1.3
55.05508	0.9
67.05493	1.6
69.03432	1.1
69.46933	3.2
71.04987	1.8
76.62901	0.5
79.05494	3.3
79.95795	0.5
81.03428	0.5
81.07053	7.9
83.05018	0.7
85.02899	3.0
91.05469	3.8
93.07048	7.9
95.04958	1.2
95.08598	0.6
97.02904	0.7
98.97539	0.6
105.07035	4.1
107.04995	0.5
107.08570	3.8
109.02863	0.7
109.06496	3.1
109.10182	0.9
113.99269	0.4
117.07011	2.1
119.04934	2.2
119.08573	5.7
121.06499	0.9
121.10149	10.6
127.07545	2.1
129.05479	0.8
130.07799	1.2
133.06480	0.7
135.08046	1.4
135.11679	1.8
137.05910	0.5
143.08562	0.9
145.10124	17.8
147.04405	9.5
161.09663	0.5
163.11183	100.0
181.12206	0.6
309.09650	0.5
344.24411	0.9
458.14005	1.0
504.21469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01862	1.2
55.05499	1.2
55.24987	0.4
56.96561	0.5
57.32586	0.4
65.03929	0.7
67.05512	2.6
68.88250	0.4
69.03415	1.5
69.07050	0.8
70.79875	1.2
71.04977	0.7
79.05493	4.2
81.03438	0.8
81.07054	9.4
83.04975	0.7
85.02889	1.4
85.06535	0.7
91.05476	4.7
92.05821	0.5
93.07047	11.7
95.04955	1.8
95.08593	1.6
97.02886	1.2
97.06525	0.7
98.97567	0.7
105.03405	1.3
105.07043	3.3
107.04944	1.4
107.08595	4.8
109.02864	0.9
109.06519	2.9
109.10133	0.9
111.04465	0.6
111.88253	0.5
117.07027	1.8
119.04948	4.5
119.08584	7.6
120.05277	1.1
121.06472	1.2
121.10143	13.8
123.08121	0.6
127.03918	1.0
127.07542	2.7
130.07759	1.2
131.04880	0.5
131.08536	0.5
133.10144	0.8
135.08044	1.6
135.11688	2.2
137.05994	0.9
139.03899	0.8
143.08582	0.8
144.04440	0.7
145.04883	0.5
145.10124	19.4
146.05984	0.6
147.04424	15.1
148.04745	5.4
151.11282	0.5
162.05510	4.1
163.11183	100.0
164.11539	0.6
165.05458	0.5
165.09065	0.6
177.05548	0.5
178.05884	0.4
181.12219	1.1
190.04984	4.0
200.61653	0.4
211.13446	0.5
214.18040	0.5
215.18303	0.7
270.97522	0.5
309.09622	0.5
316.08188	1.3
334.09180	0.6
384.15369	0.5
439.34842	0.4
506.20911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
56.41245	0.4
56.96566	0.8
58.19543	0.3
61.02909	0.9
63.18465	0.4
63.21257	0.4
69.03424	0.9
69.59321	0.9
69.59718	2.1
70.06574	0.4
71.04984	0.6
79.05504	1.3
80.82489	0.4
81.03416	0.4
85.02905	4.4
86.21085	0.4
89.06036	3.0
91.05488	1.2
91.71349	0.4
93.07050	1.5
95.04967	0.7
97.02896	1.6
98.97571	2.1
103.05468	6.4
103.06171	0.6
107.04961	8.0
108.05283	2.3
110.97527	0.5
116.98600	0.5
119.04958	0.5
120.08110	100.0
121.08440	0.5
123.04486	0.4
127.03912	1.3
131.04942	3.2
133.06529	0.4
135.06561	1.1
136.00038	0.4
137.06032	0.4
145.04922	1.2
145.29056	0.4
147.04436	1.8
149.06015	2.1
158.99620	0.6
159.04510	0.4
161.05959	0.4
163.03902	0.9
165.05486	1.0
166.08646	58.0
182.97316	0.4
192.37808	0.4
219.01770	1.0
237.02803	1.0
279.37091	0.4
291.08633	0.7
329.80869	0.4
371.21991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71590	4.9
53.03939	6.0
55.05499	19.3
60.69274	4.8
67.05513	52.7
69.07057	22.7
69.90045	24.5
75.91026	5.6
79.05483	22.0
81.07060	47.7
83.04945	8.2
83.08611	16.8
91.05471	19.8
93.07040	34.9
94.63349	4.6
95.04957	7.9
95.08614	83.3
97.10143	7.9
98.21413	7.4
101.06018	6.6
102.65137	5.1
105.03388	22.4
105.07030	28.8
107.05004	5.1
107.08583	40.6
109.10157	71.1
111.08034	5.9
111.11745	6.0
114.79828	5.9
116.67645	5.1
117.06969	6.5
119.08582	27.2
121.10152	39.6
123.08051	7.7
123.11697	19.9
129.05455	6.0
131.08560	16.2
133.09253	4.9
133.10088	30.7
135.08064	7.0
135.11696	26.2
137.09641	7.4
137.13245	9.0
143.08546	6.8
145.10092	15.1
147.11674	21.4
149.13281	7.7
157.10126	8.3
159.11705	15.9
161.13329	10.6
163.14815	6.6
165.20821	6.1
169.08679	8.5
173.13271	13.2
175.14752	6.9
176.15257	5.5
179.10646	10.1
187.14905	13.1
189.16318	8.0
191.06960	6.4
191.17874	9.8
197.11801	9.2
205.19519	6.1
207.06555	5.9
213.16302	6.3
217.19518	5.5
229.14363	5.9
231.17529	7.8
241.19528	7.6
245.22766	6.9
247.16808	9.4
254.13385	6.2
269.22617	6.5
277.17960	59.3
289.17941	10.4
303.19666	6.2
327.09735	6.3
382.27890	5.8
383.14868	14.4
395.33090	20.8
405.88092	5.8
413.34113	17.1
423.32596	14.1
441.33627	100.0
459.34711	46.5
487.33350	5.8
505.30371	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	505.2072
Annotation	Gaultherin B
Peak:m/z	Relative Intensity
52.66883	0.2
55.05507	0.3
56.96572	0.2
57.03428	0.2
62.10656	0.1
65.03941	1.1
67.05502	0.4
69.03432	0.7
69.07061	0.4
70.25709	0.6
71.04989	0.3
73.78528	0.2
74.82980	0.1
79.05482	0.5
81.03433	1.2
81.07082	0.9
82.17260	0.1
85.02918	1.0
86.06066	0.2
91.05486	9.8
93.07066	1.0
94.48520	0.2
95.04958	0.4
95.08611	0.7
97.02879	0.3
97.06529	0.2
98.97546	0.2
99.04446	0.4
102.71719	0.2
103.05460	0.3
105.03395	0.5
105.07034	0.7
107.04977	0.5
107.08604	1.6
109.02870	0.6
109.06506	0.2
109.10134	0.3
111.08083	0.3
116.10743	0.2
117.03407	0.2
117.07036	0.2
119.04949	21.2
119.08558	0.5
121.02871	0.1
121.06554	0.3
121.10112	0.4
123.04474	0.2
123.08071	0.2
123.11719	0.2
127.03923	0.3
131.04938	1.0
131.08589	0.2
133.10130	0.8
135.11720	0.7
137.05965	0.5
145.02872	0.4
145.10156	0.3
147.04419	100.0
148.04727	0.5
149.13206	0.2
151.11156	0.3
157.66762	0.1
161.09593	0.3
162.05473	0.2
162.92087	0.1
163.11188	0.4
165.05496	2.5
165.06744	0.3
165.09148	0.5
167.10632	0.2
173.13208	0.2
177.05504	0.9
179.10703	0.8
187.07437	0.2
197.11765	2.5
207.93777	0.1
214.18100	1.1
215.18489	0.8
227.72087	0.2
291.08545	1.0
309.09668	1.9
343.23163	0.2
383.15012	0.4
431.48178	0.2
487.34375	0.2
505.20587	1.4
505.31665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2775
Annotation	Mellerin B
Peak:m/z	Relative Intensity
55.05497	1.8
57.03434	1.5
67.05510	5.3
69.07063	2.0
69.37100	4.6
69.37510	1.5
69.47934	0.7
69.66489	0.7
75.05386	0.8
79.05500	2.9
81.03438	1.4
81.07057	4.1
83.08630	1.6
85.02930	1.5
91.05445	3.6
93.07066	3.3
95.08617	3.4
97.06527	1.1
98.20757	1.3
98.98508	0.8
99.24226	0.8
105.07044	2.1
107.05020	0.7
107.08626	2.4
109.10154	1.6
113.70660	0.9
119.08605	1.8
121.10155	1.1
123.11750	0.9
133.10150	1.8
135.04451	0.7
135.11708	1.9
147.11665	0.7
150.47118	0.7
157.10185	0.9
163.03859	1.1
165.09132	4.7
177.05428	0.9
181.61244	0.8
193.12198	0.8
215.76672	0.8
221.11528	4.5
251.12625	2.3
277.14197	2.4
285.10162	1.6
307.15283	3.8
322.93326	0.8
487.30063	1.2
505.27744	100.0
506.28183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
51.52684	0.4
53.03955	2.9
55.01878	0.5
55.05515	2.6
57.03437	3.9
59.04980	0.7
63.17944	0.3
65.03935	0.5
67.05504	1.6
69.03079	0.8
69.03435	10.0
69.07084	0.5
69.95419	1.4
71.04999	1.0
73.02920	0.6
75.04484	7.2
77.03953	1.1
79.05496	16.3
81.03422	8.8
81.07063	4.4
83.04983	0.8
85.02914	6.4
87.04472	1.0
91.05489	11.4
93.07049	88.5
95.04970	3.9
95.08616	2.9
97.02896	6.8
97.06520	1.0
99.04458	1.5
103.05501	0.9
105.04541	0.7
105.07041	7.5
107.04949	0.9
107.07870	0.8
107.08603	16.0
109.02884	4.9
109.06563	0.7
109.10212	0.4
111.04431	1.9
111.08079	4.8
113.05961	0.4
115.05453	0.4
116.06249	0.6
117.06977	0.6
119.07701	0.5
119.07943	0.2
119.08582	12.5
121.06535	1.2
121.10150	100.0
122.10471	1.1
123.04426	0.6
123.08100	1.2
123.11709	1.6
125.05990	0.9
127.03925	4.2
129.05502	0.9
129.06995	0.8
129.87331	0.4
131.08582	7.0
133.07599	1.0
133.10118	1.0
135.08067	0.5
135.11568	0.6
137.05946	0.6
137.09616	0.5
139.11194	5.1
141.05490	0.6
145.04987	2.2
145.10130	1.5
147.08038	0.4
149.09627	33.6
157.10075	0.4
161.09564	0.6
163.11223	0.4
167.10687	33.2
171.11855	0.4
173.09599	0.5
183.08177	0.4
185.11790	0.4
187.11246	0.5
191.10629	0.9
210.82750	0.4
229.12192	0.5
245.11659	0.7
246.81566	0.4
247.13374	0.8
265.14230	0.9
275.12823	1.4
283.15561	2.3
293.13861	8.3
297.23605	0.4
311.14908	29.8
312.39594	0.4
312.70547	0.4
329.16177	1.7
341.17377	0.4
433.17966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.2
51.02383	0.3
53.03950	1.7
55.01880	0.2
55.52089	0.2
56.96566	0.5
57.03436	0.2
57.90694	0.2
61.01146	0.8
61.02933	0.3
69.03434	0.8
69.83994	0.6
69.84402	0.3
70.85034	0.2
73.02956	0.2
75.16574	0.2
77.03931	0.7
79.05500	7.4
81.03426	0.6
85.02901	2.1
87.02711	0.4
95.04965	2.2
97.02898	0.6
98.21468	0.4
98.97591	2.3
105.03734	0.9
105.04519	0.9
107.04960	100.0
107.23132	0.2
108.05290	0.7
109.02893	0.3
109.06507	0.2
110.97572	0.8
116.98618	1.0
123.04429	0.4
127.03951	0.3
128.98625	0.6
133.03191	2.8
133.06516	0.3
145.04977	0.4
146.99680	0.2
158.99678	0.5
163.03947	0.4
177.00737	0.4
187.02977	0.2
189.04047	0.2
203.04008	0.2
206.86926	0.2
219.01578	1.0
219.03563	0.4
235.03018	0.2
237.02750	0.9
243.05586	0.2
247.07043	0.2
265.03928	0.4
268.02643	0.2
283.04846	0.3
307.05011	0.6
325.06250	0.5
343.08539	0.9
354.11081	0.2
368.80948	0.2
398.95645	0.2
445.10254	1.3
445.16312	0.2
463.11572	0.2
505.11429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.05516	21.3
57.07074	4.6
67.05176	3.6
67.05506	41.1
69.07068	35.2
69.40241	13.0
69.40651	6.6
71.07351	3.6
79.05492	28.5
81.07056	55.4
83.04988	12.1
83.08631	14.6
85.06538	11.3
86.09713	7.1
91.05485	24.4
93.07044	45.6
95.04950	7.2
95.08611	100.0
97.10188	7.2
101.06031	27.5
103.05455	2.7
105.07032	34.6
107.08598	75.2
109.06482	4.2
109.10157	81.3
111.08081	7.5
111.11745	10.5
115.03895	3.1
117.07039	8.3
119.08592	54.7
121.10151	73.2
123.08071	7.1
123.11705	38.4
125.09633	10.6
129.05484	34.1
129.07030	5.3
131.08563	20.4
133.06487	3.5
133.10135	44.0
135.08107	4.1
135.11711	41.9
137.09604	9.4
137.13263	10.7
143.08630	6.0
145.10136	33.3
147.08061	7.9
147.11691	33.1
149.13283	18.4
151.07553	5.5
155.06982	2.8
155.08424	2.7
157.10147	12.3
159.11699	32.2
161.09573	3.5
161.13251	39.7
163.14838	28.4
165.09126	4.5
169.08626	3.9
171.10164	16.6
171.11719	14.4
173.13268	30.0
173.14699	4.1
175.14806	26.2
177.12807	4.1
183.10181	5.7
183.11710	5.1
185.13202	16.2
187.14835	39.9
189.16409	14.0
193.12164	3.8
197.13309	4.8
199.13145	2.7
199.14819	8.8
201.11250	5.8
201.16379	29.5
203.17957	7.4
209.13214	3.4
211.14882	5.8
213.16470	19.9
215.14365	4.0
215.17961	10.8
217.19633	3.7
225.16513	4.8
227.17938	17.5
229.19498	15.6
231.21124	5.3
239.18021	7.7
241.19402	5.5
243.21172	12.6
255.21027	12.6
257.19061	4.2
257.19553	4.8
257.22653	66.7
259.24182	14.5
264.18909	2.8
269.22650	5.0
271.24185	10.3
275.20123	4.9
275.23718	3.3
281.22723	6.2
283.24213	13.6
285.22324	4.4
285.25479	2.9
287.20059	3.6
287.23560	3.0
295.24371	6.0
297.25687	15.3
299.23682	3.0
301.21600	24.8
303.19989	4.3
303.23209	38.8
313.28860	3.7
315.23209	6.8
315.26962	2.8
327.22955	2.9
331.22690	5.9
333.20786	3.2
333.24182	15.1
339.30316	3.1
341.24863	3.1
345.24243	18.3
357.24411	3.7
365.31979	8.5
377.32059	9.2
381.31760	4.5
383.29230	3.3
393.31567	3.2
395.29337	10.9
395.33722	5.0
409.30960	12.3
413.30695	16.1
421.31058	15.5
427.32159	49.6
429.33749	27.7
439.32233	24.2
441.33694	42.0
455.31970	3.8
457.33154	17.5
459.34012	2.8
467.31519	9.8
468.64874	2.7
473.26291	5.0
473.32690	77.0
485.32846	27.0
492.41495	3.4
503.27521	3.9
503.33817	62.3
505.85095	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	503.3372
Annotation	Dianic acid
Peak:m/z	Relative Intensity
53.03943	7.3
55.05303	3.5
55.05509	34.2
57.07060	10.2
59.51054	2.9
67.05503	43.3
67.41823	3.0
69.03419	8.7
69.07072	32.7
70.61277	6.6
70.61606	3.9
79.05477	20.5
81.03391	4.9
81.07060	65.8
83.04968	15.6
83.08605	13.8
85.06535	10.1
86.22333	3.1
87.04457	7.6
91.05504	20.2
93.07052	47.9
95.04914	4.6
95.08610	98.3
97.06512	6.3
97.10160	11.7
99.08072	4.3
101.06033	37.0
105.07029	28.2
107.08597	48.8
109.10154	76.5
111.08083	4.5
111.11707	5.5
117.07005	6.0
119.08583	44.8
121.10141	89.4
123.08071	8.8
123.11710	46.9
125.09615	4.2
129.05489	31.5
131.08549	14.3
133.10135	50.3
135.08041	7.4
135.11679	34.1
137.13252	10.3
139.11159	12.3
143.08580	10.7
145.10136	26.6
147.11707	27.6
149.09650	10.7
149.13257	13.6
157.08661	5.8
157.10139	19.3
159.11668	30.7
161.09645	8.9
161.13257	23.0
163.11142	4.2
163.14822	5.3
165.09138	3.9
169.10092	8.6
171.11670	15.4
173.09598	4.8
173.11989	4.7
173.13268	25.5
175.11172	7.2
175.14799	9.9
177.09114	9.4
177.12701	5.4
179.07043	7.2
179.14348	4.5
183.11745	5.5
185.11703	42.7
185.13274	15.3
187.14796	34.5
191.14406	6.0
197.13152	4.3
199.14838	13.8
201.16364	14.3
211.14879	6.8
213.16388	13.5
215.18018	6.3
227.17957	11.2
229.19504	5.7
239.18001	3.8
241.19513	9.2
243.21048	5.8
253.19463	5.0
255.21025	25.6
257.22668	100.0
269.22702	7.9
271.20538	4.2
271.24136	4.7
273.22058	11.3
275.20053	7.3
281.22546	7.6
283.20770	7.1
283.24133	18.4
291.23361	4.8
295.24179	5.0
297.25708	9.7
301.21603	37.4
311.27176	5.1
313.21564	5.1
317.24823	4.1
319.22693	46.8
327.23203	11.4
329.24667	4.5
331.22601	9.5
341.24619	5.1
343.22794	4.1
345.24161	4.6
377.32144	9.7
393.31589	6.2
395.32956	13.3
402.80917	3.5
411.32605	4.9
421.31033	25.2
431.60098	4.0
439.32141	60.5
441.27972	5.0
441.33676	56.8
457.33099	64.0
485.32785	21.4
503.33600	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11176	0.8
53.03952	1.2
55.01873	2.1
55.43685	0.8
56.03380	0.8
57.03422	2.1
61.02918	2.6
69.03436	7.2
69.07063	1.3
69.32127	7.8
71.04969	1.3
73.02920	1.1
79.05503	1.6
81.03421	2.8
81.07030	1.5
85.02905	16.7
91.03974	0.9
91.05482	5.3
93.07046	1.5
94.04184	2.8
95.04971	0.9
95.08594	1.0
97.02893	6.3
99.04443	1.9
103.05461	2.9
105.07037	3.9
107.04971	2.5
109.02926	1.3
109.06512	2.1
115.05453	2.8
117.07003	1.6
119.08610	4.9
120.97330	1.0
121.06499	1.0
122.03637	6.3
127.03908	3.2
128.06247	1.7
129.06984	2.2
131.04959	4.8
132.05696	3.7
133.06503	2.5
136.82489	1.0
137.05983	100.0
145.04953	1.6
146.03606	1.7
147.04475	1.0
147.08044	5.1
147.79041	0.9
149.05986	1.6
155.04922	1.3
159.08060	1.7
160.05203	1.9
161.05992	12.2
163.07549	10.1
171.08138	1.2
175.07553	44.9
179.07176	1.0
184.05188	1.4
187.07544	7.6
189.07027	1.2
190.07689	2.7
191.08560	7.7
199.07573	8.5
202.07809	4.2
203.08543	6.8
208.08739	1.3
218.07315	1.9
219.08099	9.8
220.08768	2.9
231.08078	9.6
232.08784	1.6
235.07535	1.1
236.08350	1.5
247.07617	4.6
248.08275	5.3
251.10663	13.6
259.07559	7.4
260.08325	2.9
261.09213	1.3
263.10757	6.1
264.07910	1.3
265.08600	2.2
267.17398	0.8
275.06937	1.1
276.07874	3.3
277.08502	2.9
279.10184	13.6
280.10803	1.8
288.13919	1.2
291.10153	16.8
292.10873	2.9
293.08228	1.0
293.11462	1.0
296.10477	2.3
308.10345	2.2
311.12787	29.0
323.12775	30.8
324.24689	1.4
325.14435	2.5
503.20471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2983
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
55.05515	1.0
59.53241	1.0
61.06748	1.1
67.05508	7.0
69.07059	3.3
71.17231	1.9
79.05489	3.8
81.07075	5.3
81.07451	1.0
83.08613	1.1
91.05476	3.4
93.07046	3.6
95.08636	4.7
97.02911	1.2
102.14488	1.0
105.07021	3.3
107.08594	2.8
109.10161	4.7
117.06994	1.9
119.08575	3.0
121.10132	2.8
123.11705	1.8
131.08580	2.3
133.10126	3.9
135.11668	1.7
145.10164	2.1
147.11690	1.0
149.13344	1.4
159.11754	1.0
190.50935	0.9
231.09213	1.0
235.12909	4.8
247.16957	1.1
275.20087	2.0
291.15689	5.3
296.10364	1.0
314.42209	1.1
373.61337	1.1
398.77667	1.1
439.32181	2.2
485.32422	1.7
503.29721	100.0
504.30356	1.3
512.61951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3367
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03941	3.9
55.01865	3.1
55.05305	2.4
55.05512	26.8
56.89563	2.9
57.07060	5.4
59.04978	3.1
59.41954	2.6
67.05505	36.7
69.03425	3.4
69.07069	36.3
69.27695	25.8
73.30839	3.0
79.05505	20.0
81.07060	71.8
83.04977	14.3
83.08617	11.1
85.06530	12.7
91.05470	20.4
93.07048	43.2
95.04981	3.1
95.08608	96.2
97.06530	6.6
97.10159	9.1
98.20798	5.7
99.08096	9.9
101.06025	35.9
105.07037	34.8
106.15869	2.8
107.08605	53.0
109.09472	4.3
109.10162	61.1
111.08068	5.6
111.11698	4.8
117.07000	6.7
119.08582	44.0
121.10150	70.4
121.11027	3.7
123.08015	5.0
123.11714	50.0
125.09637	2.8
129.05476	40.8
129.06993	5.7
131.08595	26.0
133.10141	60.8
135.08104	6.6
135.11690	35.3
137.09515	3.3
137.13220	17.1
139.11163	7.2
143.08577	7.8
145.10127	38.3
147.11681	26.6
149.09630	8.1
149.13281	15.8
151.11111	4.2
151.14778	3.7
155.08533	4.1
156.09340	3.5
157.10138	11.9
159.08005	3.5
159.11705	34.4
161.09619	5.5
161.13289	19.4
163.11243	5.8
163.14804	6.6
169.10114	6.1
171.11687	25.6
173.13261	30.3
175.14813	10.2
177.09090	3.5
179.06956	3.9
183.11761	7.7
185.11713	22.4
185.13278	15.5
187.14812	34.4
189.16380	9.9
191.10643	3.8
193.12350	3.4
195.11642	4.6
197.13292	6.7
199.14772	13.3
201.12726	3.5
201.16412	12.8
203.18057	4.3
211.14983	5.9
213.16396	11.9
215.17990	7.4
217.19452	4.5
219.41873	3.2
225.16393	6.7
227.17899	12.7
229.19545	25.1
239.17870	9.3
241.19542	20.0
243.21066	13.2
253.19481	9.2
255.21040	25.5
257.22681	71.5
267.20947	6.1
269.22607	7.2
273.22095	3.6
275.16681	2.9
275.20007	7.1
277.17636	3.2
281.22607	8.2
283.20728	5.2
283.24179	14.1
285.22287	3.1
285.25827	2.9
295.24197	9.6
297.25717	8.0
299.20016	5.5
299.23483	4.4
301.21661	26.9
303.19653	8.2
309.25641	5.2
311.27264	13.6
313.28854	9.9
317.21072	9.0
319.22745	16.6
327.23181	6.8
331.22748	7.7
337.29016	4.2
341.24741	3.4
343.22678	5.0
345.24216	7.0
351.30756	3.8
357.24121	5.1
357.28033	8.1
358.25128	4.6
359.25873	10.3
369.24384	4.8
371.25754	7.5
377.31946	11.3
383.25537	3.6
385.27957	4.1
393.31656	4.0
395.29117	7.2
395.33209	11.5
403.24899	4.8
405.31372	4.1
411.33011	4.6
421.30978	28.2
423.32547	4.8
439.32083	94.8
441.33646	100.0
449.30542	7.7
457.33176	45.5
467.31332	8.2
485.32602	54.9
503.29419	24.9
503.34100	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	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
61.02923	3.6
69.03435	6.2
69.58572	7.7
73.02946	1.3
78.03057	1.3
81.03410	3.0
81.07056	1.1
84.52376	1.2
85.02907	17.4
91.05484	4.2
94.04184	4.1
97.02892	7.4
98.21618	1.3
103.05468	3.8
105.07035	4.0
109.02898	2.5
109.06516	3.6
109.89662	1.1
115.05399	2.4
117.07005	1.2
118.03989	1.2
119.08598	2.4
121.06499	1.0
122.03651	7.6
127.02414	1.0
127.03919	3.0
128.06235	2.3
129.07062	1.1
131.04935	4.6
132.05711	3.1
133.06496	1.9
137.05989	100.0
145.04944	2.5
147.04480	2.0
147.08055	3.2
152.78004	1.3
159.07973	1.1
160.05174	1.7
161.06006	10.9
163.07559	7.7
175.07561	43.3
185.06036	1.2
187.07520	6.3
189.09109	1.2
190.07738	2.0
191.08562	5.0
199.07578	11.4
201.09180	1.4
202.07832	4.0
203.08571	8.0
218.07285	1.9
219.08031	8.1
220.08945	2.8
231.08080	8.5
232.08765	1.3
247.07564	4.5
248.08360	4.4
251.10757	10.0
259.07556	5.0
260.08389	1.8
263.10654	4.6
276.07776	1.8
277.08597	3.0
279.10220	7.1
287.88342	1.4
291.10144	9.1
292.10919	4.9
293.11938	1.2
295.13312	3.2
308.10376	1.8
311.12796	18.6
323.12851	22.6
503.20306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11176	0.8
53.03952	1.2
55.01873	2.1
55.43685	0.8
56.03380	0.8
57.03422	2.1
61.02918	2.6
69.03436	7.2
69.07063	1.3
69.32127	7.8
71.04969	1.3
73.02920	1.1
79.05503	1.6
81.03421	2.8
81.07030	1.5
85.02905	16.7
91.03974	0.9
91.05482	5.3
93.07046	1.5
94.04184	2.8
95.04971	0.9
95.08594	1.0
97.02893	6.3
99.04443	1.9
103.05461	2.9
105.07037	3.9
107.04971	2.5
109.02926	1.3
109.06512	2.1
115.05453	2.8
117.07003	1.6
119.08610	4.9
120.97330	1.0
121.06499	1.0
122.03637	6.3
127.03908	3.2
128.06247	1.7
129.06984	2.2
131.04959	4.8
132.05696	3.7
133.06503	2.5
136.82489	1.0
137.05983	100.0
145.04953	1.6
146.03606	1.7
147.04475	1.0
147.08044	5.1
147.79041	0.9
149.05986	1.6
155.04922	1.3
159.08060	1.7
160.05203	1.9
161.05992	12.2
163.07549	10.1
171.08138	1.2
175.07553	44.9
179.07176	1.0
184.05188	1.4
187.07544	7.6
189.07027	1.2
190.07689	2.7
191.08560	7.7
199.07573	8.5
202.07809	4.2
203.08543	6.8
208.08739	1.3
218.07315	1.9
219.08099	9.8
220.08768	2.9
231.08078	9.6
232.08784	1.6
235.07535	1.1
236.08350	1.5
247.07617	4.6
248.08275	5.3
251.10663	13.6
259.07559	7.4
260.08325	2.9
261.09213	1.3
263.10757	6.1
264.07910	1.3
265.08600	2.2
267.17398	0.8
275.06937	1.1
276.07874	3.3
277.08502	2.9
279.10184	13.6
280.10803	1.8
288.13919	1.2
291.10153	16.8
292.10873	2.9
293.08228	1.0
293.11462	1.0
296.10477	2.3
308.10345	2.2
311.12787	29.0
323.12775	30.8
324.24689	1.4
325.14435	2.5
503.20471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1704
Annotation	Schisandrene
Peak:m/z	Relative Intensity
50.01602	0.7
51.02376	1.5
53.03944	4.2
55.01871	2.3
55.05509	4.0
57.03438	0.8
57.07082	0.9
62.06090	3.5
65.03944	1.8
67.05517	5.2
69.03424	2.5
69.07065	5.1
69.87870	0.5
70.19257	2.5
71.04988	0.8
75.71503	0.6
77.03918	1.9
79.05068	1.1
79.05499	16.3
81.03425	4.6
81.07058	12.3
83.04990	1.1
83.08614	2.1
85.02904	2.5
85.06521	1.4
89.31405	0.6
91.05489	8.8
93.07048	8.1
95.04971	11.4
95.08615	10.7
97.02881	1.9
97.06543	2.2
97.10179	2.1
98.97589	0.9
99.04445	1.4
105.03395	1.9
105.04495	1.7
105.07030	5.3
107.04959	100.0
107.08597	9.0
109.02869	5.3
109.06532	0.9
109.10139	6.3
111.04420	0.8
111.08080	2.3
111.11707	1.4
117.07018	0.9
119.04942	10.9
119.08560	4.9
121.06566	0.7
121.10155	6.2
123.04433	57.8
123.11724	4.8
125.09637	1.2
127.03947	2.9
129.06984	0.8
131.08569	1.4
133.10103	3.4
135.04422	10.0
135.08064	1.1
135.11685	4.2
137.06001	4.0
137.09663	0.9
137.13268	1.3
139.02928	1.2
139.03909	13.3
139.11205	0.9
143.08588	0.6
145.06517	0.6
145.10129	2.0
147.04424	17.8
147.11676	3.6
149.05962	0.6
149.09625	1.0
149.13275	5.2
151.03911	57.3
151.11240	1.3
153.05487	1.0
157.10120	1.1
159.08154	0.9
159.11690	1.6
161.05972	2.1
161.09659	1.4
161.13326	1.4
162.06746	1.1
163.03911	36.3
163.11153	0.7
163.14835	1.2
165.05478	8.1
165.06853	0.9
165.12749	0.9
169.05014	2.7
170.64664	0.6
171.11618	1.2
173.05962	0.9
173.09703	0.7
173.13284	1.0
175.03889	3.5
175.14766	1.0
177.05521	1.4
179.03345	0.6
179.07146	0.9
181.04974	17.5
183.08076	1.2
185.06024	0.7
185.13193	0.9
188.76797	0.6
189.05392	0.6
189.16423	1.1
193.05046	3.2
201.09154	0.7
201.16443	0.6
203.06987	1.0
205.05046	0.9
207.06570	2.2
211.07620	1.7
213.09108	11.0
214.09604	0.7
215.07114	1.1
217.08646	1.4
227.07036	2.3
229.08652	2.6
239.06999	2.7
245.08122	16.0
257.08099	32.5
269.08142	4.7
285.07629	2.3
287.23679	0.8
291.08762	1.2
293.24783	1.5
297.07654	1.5
303.08624	20.1
305.24664	3.3
313.16223	0.9
315.08548	4.0
323.09100	0.7
323.27875	0.7
341.28998	0.7
351.12277	73.4
352.12512	1.3
363.12427	1.1
379.11816	2.3
391.11639	4.3
397.12814	7.2
409.12900	9.4
413.26697	0.8
431.27847	1.6
449.28775	2.4
455.29700	0.7
467.30215	1.7
485.16071	2.7
503.22736	5.0
503.29346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67755	2.1
55.05497	9.3
57.03432	11.4
57.07079	30.0
59.04995	3.1
63.41273	2.1
67.05505	83.2
69.07050	5.8
69.85042	4.2
69.85459	8.4
71.04991	2.7
71.08633	22.8
72.90134	2.2
79.05479	2.5
81.07068	22.7
83.08632	10.4
85.06543	4.1
85.10184	13.8
91.05484	4.8
93.07030	3.1
95.08617	17.2
97.10143	3.3
98.21461	2.5
109.10161	77.1
111.08057	2.6
119.08594	6.1
137.09679	2.9
155.10664	6.9
173.11736	19.5
177.18398	2.3
183.83110	2.5
229.14354	100.0
313.27368	94.6
415.64206	2.3
467.37320	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	503.1188
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
53.03939	0.1
54.66347	0.1
55.05504	0.3
57.03445	0.1
57.07071	0.1
67.01874	0.5
67.05506	0.4
68.99797	0.3
69.03428	0.4
69.07055	0.3
71.04983	0.1
71.57191	0.1
78.14658	0.1
79.05501	0.4
81.03419	0.4
81.07058	0.8
83.04989	0.1
83.08625	0.1
85.02895	0.3
85.06528	0.2
87.26155	0.1
91.05483	0.3
93.07038	0.6
95.04978	0.2
95.08619	0.8
97.02879	0.2
97.06545	0.1
97.10146	0.2
98.97606	0.1
99.04455	0.1
99.29582	0.1
101.83360	0.1
103.05460	0.6
105.03395	0.4
105.07042	0.5
107.04942	0.2
107.08581	0.6
109.02861	0.3
109.06510	0.2
109.10158	0.4
111.04459	0.1
111.08089	0.2
111.11740	0.1
119.04961	0.2
119.08575	0.3
121.02837	0.1
121.06493	0.1
121.10140	0.4
123.11707	0.5
123.12469	0.1
125.02345	0.1
127.03883	0.3
129.01854	0.1
129.03360	0.5
129.07034	0.1
131.04904	0.2
131.08571	0.1
133.06502	0.1
133.10120	0.3
135.11720	0.3
137.05981	0.4
137.13214	0.1
139.03908	0.1
139.11200	0.1
141.07028	0.1
143.10692	0.1
145.10130	0.2
145.22145	0.1
147.04420	0.8
147.11691	0.2
149.09628	0.1
149.13292	0.3
151.11116	0.1
153.01839	2.9
159.11688	0.2
161.09497	0.1
163.03940	0.1
163.11221	0.1
165.08971	0.1
165.12816	0.1
171.02905	0.2
171.04346	0.1
175.07558	0.2
175.14693	0.1
175.58328	0.1
177.05537	0.1
187.07527	0.3
187.14836	0.1
189.16525	0.1
203.17850	0.1
209.05957	0.4
213.05437	0.2
231.06528	0.2
237.05557	0.1
240.02798	0.1
255.06526	100.0
256.06903	1.0
305.24692	0.2
323.25821	0.1
341.10724	0.1
351.09464	0.1
417.11813	1.1
426.65497	0.1
449.28540	0.2
485.10437	0.1
485.29410	0.1
503.11951	2.2
503.19202	0.3
503.23468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97564	1.3
55.05501	4.1
57.07064	3.3
67.05489	4.6
69.07069	8.5
69.20967	16.4
71.08612	1.5
81.07059	10.6
83.08595	3.8
91.05441	2.9
93.07036	4.5
95.08610	24.6
97.10124	3.6
102.40501	1.5
105.07044	7.8
107.08598	11.1
109.10148	11.3
111.11713	2.6
113.09634	2.9
119.08586	8.6
119.63315	1.4
121.10130	16.9
123.08023	2.1
123.11681	8.4
131.08534	5.2
133.10158	10.9
133.28250	1.8
135.11676	11.5
137.13242	5.1
143.07062	1.7
143.08525	3.2
145.10114	7.6
147.08035	2.0
147.11661	6.9
149.13263	2.2
157.10126	5.2
159.11688	7.8
161.13266	5.1
163.14841	2.2
169.10123	3.8
171.11676	5.7
173.13258	6.9
175.14883	2.6
183.11664	3.6
185.13216	4.7
187.14839	12.8
189.16389	2.3
191.18010	2.2
197.13290	3.1
199.14821	6.4
201.16443	4.3
209.13268	1.9
211.14792	3.7
212.44511	1.6
213.16383	6.3
214.74852	1.3
215.17973	3.6
225.12590	1.9
225.16399	2.5
227.17963	5.1
229.19547	7.0
241.19550	5.1
243.21152	2.3
255.20918	3.1
257.22656	3.3
269.22610	2.6
275.16422	1.9
281.22571	4.5
283.24045	5.5
289.17783	1.9
295.24197	2.2
297.25702	2.5
301.18167	1.9
307.24261	2.6
309.25589	3.4
311.27350	1.9
313.21881	1.9
341.24707	3.7
345.24158	2.4
349.29019	3.5
351.30304	4.8
353.24799	6.2
355.26343	4.9
367.33508	2.0
371.25873	3.8
377.32239	2.1
395.29437	29.8
397.30994	5.9
411.32733	12.8
415.24655	3.3
421.30823	7.9
439.32077	89.7
441.33609	11.4
449.30426	3.2
467.31656	16.3
485.32657	100.0
502.35672	29.3
503.33377	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3215
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03932	2.6
54.54140	1.8
54.64054	2.0
55.05510	16.9
57.07072	5.9
65.02399	1.8
67.05504	26.5
69.03435	3.0
69.07069	25.0
69.40440	5.1
69.40866	11.9
71.08618	2.9
72.95449	1.8
79.05484	21.7
81.07058	69.3
83.04974	10.2
83.08643	10.0
85.06550	6.1
89.06033	6.3
91.05472	18.8
93.07044	38.6
95.04964	5.7
95.08609	91.7
97.06533	4.7
97.10181	5.8
99.08081	12.3
101.06014	23.9
105.07028	42.1
107.04932	2.2
107.08594	49.3
108.33051	1.9
109.06532	5.0
109.10156	59.4
111.08083	5.2
111.11678	4.5
111.70081	2.0
117.07020	12.6
117.23018	1.8
119.08587	46.0
121.06483	3.6
121.10146	67.9
123.08117	2.7
123.11706	44.4
125.09641	3.3
128.06236	2.0
129.05498	23.8
129.07022	5.7
131.08571	23.9
133.06500	2.4
133.08595	3.2
133.10132	61.2
135.08064	3.0
135.11691	43.8
137.09590	7.0
137.13264	12.3
139.11205	2.6
141.05441	2.6
142.07832	3.6
143.08563	14.3
144.09320	2.2
145.10127	33.9
145.94934	1.8
147.08051	11.1
147.11713	26.6
149.09621	6.1
149.13246	17.4
151.11218	2.5
155.07318	2.4
155.08566	8.0
156.09349	4.6
157.10123	29.5
159.08075	4.3
159.11679	33.1
161.09589	4.2
161.13252	13.3
163.07553	2.9
163.11227	2.2
163.14822	5.2
165.09137	15.9
169.10118	13.3
170.10939	3.1
171.11687	27.8
173.09584	4.4
173.13260	24.2
175.11176	5.7
175.14890	7.5
177.09177	6.1
177.16368	3.5
179.10672	6.4
181.10196	5.2
183.10176	25.2
183.11725	10.9
185.13232	19.3
187.11105	4.2
187.14833	19.8
189.09195	3.2
189.12839	2.8
189.16382	7.5
191.10693	3.2
193.12303	2.2
195.10181	4.5
195.11783	4.1
196.12263	2.0
197.11685	2.1
197.13283	11.9
199.11253	4.7
199.14830	12.7
201.09160	1.9
201.16461	10.6
203.10605	2.8
203.14397	3.0
203.17984	3.7
209.13283	5.1
211.14856	8.7
213.12817	3.7
213.16451	10.4
215.14296	3.5
215.17966	6.9
219.13800	2.3
221.13310	2.7
223.14857	7.0
225.16399	7.8
227.17938	10.2
229.15955	3.5
229.19501	17.2
233.11673	3.2
235.13200	3.2
237.16452	5.5
239.17990	10.1
241.15869	3.3
241.19502	23.6
243.21094	11.9
249.16440	3.0
253.19537	7.2
255.17523	2.5
255.21054	24.9
257.22653	17.2
265.19525	3.8
267.21118	4.8
269.22705	4.2
279.21094	6.3
281.22668	8.3
283.16840	2.4
283.24130	4.2
293.22592	8.7
295.24146	9.7
299.16495	2.6
299.19928	6.2
301.18021	6.5
301.21606	5.1
307.24301	4.2
309.25870	9.6
311.23776	3.5
311.27319	8.4
313.25217	7.7
315.19553	5.5
317.21173	2.7
327.26819	3.6
329.21045	2.8
329.28278	5.9
333.17099	2.8
335.23666	2.2
335.27396	3.9
339.23178	7.4
341.21066	2.3
343.22574	18.3
347.26993	3.2
349.28815	5.1
355.22543	5.5
355.26398	6.5
363.26578	2.4
363.30618	2.8
367.22476	2.5
369.19830	2.3
369.24210	4.2
373.27875	4.0
375.30377	5.5
381.24146	6.5
383.25900	3.1
391.29837	6.0
393.27762	7.2
393.31625	5.5
401.28687	2.7
411.28766	11.2
419.29614	14.7
421.31094	4.0
424.29761	3.2
425.30701	11.9
427.31970	6.8
437.30576	62.1
439.32117	99.5
440.32404	2.6
447.28625	11.1
455.31723	25.1
457.33316	13.6
465.29993	22.2
471.30933	5.7
483.31073	100.0
501.32147	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01875	0.6
55.05515	5.2
67.05511	3.8
69.03436	2.3
69.07076	3.1
70.42019	1.4
71.05000	0.5
79.05507	2.5
81.03429	2.0
81.07060	7.7
83.08653	0.5
85.02906	1.1
85.06546	1.0
91.05460	2.7
93.07045	4.5
95.04989	1.9
95.08614	6.2
97.02892	1.3
97.06549	1.7
97.10175	7.4
99.04480	0.6
105.03424	0.8
105.07032	3.8
107.04990	0.8
107.08588	4.2
109.02908	1.9
109.06555	0.9
109.10155	3.7
111.04460	0.5
111.08104	0.9
117.07034	0.8
119.08572	2.9
121.06490	0.9
121.10132	2.7
123.08102	1.0
123.11736	2.3
125.09653	1.5
126.29929	0.5
127.03959	1.9
131.04958	0.9
131.08607	1.5
133.10173	2.6
135.08061	0.6
135.11719	1.8
137.09616	1.3
139.11209	0.9
142.45329	0.6
143.10698	1.8
145.10133	1.5
147.08035	0.7
147.11699	1.9
149.09648	1.2
149.13251	1.0
151.11256	0.8
157.10194	1.1
159.11777	1.6
161.13330	0.6
163.07587	0.6
163.11188	1.0
165.09123	0.8
165.12820	0.9
171.10272	0.7
171.11697	1.0
173.09569	0.6
173.13248	0.9
177.05490	1.1
181.22937	0.6
189.11250	0.5
201.03783	0.5
237.15024	1.0
254.21840	0.6
285.22275	0.7
291.23337	0.6
300.39014	0.5
303.20160	0.7
303.23077	2.4
305.24911	0.6
321.24396	1.4
347.07434	0.9
349.08942	1.4
361.23773	0.5
363.08975	24.1
365.10519	7.0
405.26682	0.8
429.26440	2.0
447.27374	3.0
456.35074	0.5
465.28345	3.7
483.29712	0.6
501.22540	100.0
502.22794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10941	1.6
53.03945	5.4
55.01866	6.9
55.05516	63.6
57.00074	1.7
57.03447	3.8
57.07066	5.1
59.04990	1.8
59.50424	1.9
65.03934	3.4
67.05509	34.9
69.03428	26.4
69.06725	3.0
69.07072	41.7
71.04993	5.8
71.56982	2.0
73.02938	3.2
79.05493	23.4
81.03427	27.7
81.07059	74.5
83.05003	10.4
83.08631	10.8
85.02909	12.2
85.06546	7.6
87.04472	2.6
87.28288	1.8
91.05477	20.9
93.07056	41.2
95.04976	16.3
95.07993	2.1
95.08616	67.1
97.02885	8.6
97.06527	15.5
97.10178	100.0
99.04465	8.4
99.08094	7.0
101.06016	3.3
103.03922	2.2
105.03397	3.4
105.07042	37.9
107.04990	4.2
107.08597	36.5
109.02889	27.0
109.06526	12.6
109.10169	40.2
111.04449	6.4
111.08068	10.5
111.11742	5.0
113.09631	3.2
115.07566	2.4
117.07019	7.2
119.04962	4.4
119.08591	32.6
121.06503	7.4
121.10152	29.1
123.04418	4.7
123.08077	13.2
123.11719	25.1
125.06042	2.6
125.09650	23.9
127.03939	20.2
129.05560	1.8
129.07008	5.9
131.04889	2.4
131.08585	14.1
133.06517	2.4
133.10149	21.5
135.08072	9.2
135.11702	17.7
137.06001	4.0
137.09604	9.0
137.13274	6.8
139.11194	11.2
141.07079	2.5
141.09145	2.5
142.07787	2.6
143.08563	7.2
143.10684	32.1
145.02893	1.8
145.06526	2.5
145.10136	16.2
147.04424	7.0
147.08087	6.8
147.11694	21.3
149.09660	6.3
149.13274	14.2
151.07550	7.5
151.11160	4.6
151.14845	2.4
153.12718	3.4
155.08595	3.8
155.10725	3.7
157.10199	9.7
157.12271	6.3
159.08153	3.2
159.11720	15.1
161.09618	8.7
161.12054	2.4
161.13234	13.3
163.07535	2.7
163.11174	7.3
163.14847	5.9
165.09117	7.1
165.12753	10.7
167.10616	2.8
167.14336	3.2
169.10022	3.4
171.08032	3.5
171.10144	5.2
171.11671	5.3
172.15532	1.9
173.09688	4.2
173.13307	8.7
175.11131	3.9
175.14818	7.5
177.09172	2.2
177.12766	5.1
177.16376	2.3
178.68793	2.1
179.10687	5.5
179.14343	3.6
181.12296	2.1
183.11615	2.6
185.09601	4.6
185.13260	4.3
187.11180	3.2
187.14864	6.4
189.09184	3.9
189.11237	6.0
189.12775	6.6
189.16451	2.6
191.10648	2.8
191.14261	2.4
197.13280	3.3
199.11278	2.0
201.12741	2.5
203.10565	2.5
205.12308	2.6
207.13872	3.7
209.15352	3.7
211.14806	2.0
213.12866	6.0
215.14352	4.6
215.17975	3.5
219.13776	2.0
227.14388	2.0
231.13835	4.4
235.16862	2.4
237.14758	3.1
275.23840	2.7
285.22095	3.4
303.23132	12.5
315.14407	3.9
321.24255	15.6
345.24335	3.4
405.26236	3.1
411.25146	6.8
417.26288	3.6
429.26291	23.1
437.30057	2.2
443.33569	2.3
447.21857	3.4
447.27481	43.6
453.28552	3.5
465.28464	43.4
483.29532	11.9
501.15656	2.2
501.22519	7.0
501.26999	1.7
501.33624	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	501.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01866	0.6
55.05515	5.4
56.96559	0.5
57.07058	0.5
59.04986	0.6
67.05503	3.9
69.03435	2.7
69.07071	4.0
71.04980	0.9
71.56827	0.4
73.02914	0.4
79.05496	3.1
81.03419	3.1
81.07056	8.4
83.04963	1.4
83.08612	1.1
85.02911	2.1
85.06539	1.1
91.05486	2.9
93.07049	5.4
95.04985	2.7
95.08614	6.1
97.02879	1.3
97.06522	1.6
97.10172	7.0
98.97595	0.6
99.04486	0.8
99.08099	0.6
101.06009	0.4
103.05486	0.5
105.03394	2.4
105.07035	3.8
107.04967	2.4
107.08601	5.6
109.02879	1.7
109.06516	1.5
109.10161	4.3
111.04443	0.8
111.08074	1.5
111.11723	0.5
116.98598	0.5
117.07019	0.7
119.04966	0.6
119.08572	2.7
121.06471	0.8
121.10130	3.3
123.08046	1.0
123.11713	3.2
125.09663	2.2
126.15285	0.3
127.03904	1.8
127.11169	0.4
128.06238	0.4
131.04918	0.4
131.08592	1.0
133.10124	2.9
135.08047	1.2
135.11671	3.1
137.05994	0.8
137.09602	0.7
137.13197	0.4
139.03918	2.1
139.07591	0.3
139.11177	1.4
141.09143	0.4
143.08521	0.8
143.10667	3.0
145.10150	1.7
146.06082	0.4
147.04411	1.7
147.06343	0.4
147.08040	0.7
147.11693	2.4
149.09657	0.6
149.13268	1.2
151.03917	0.6
151.07602	0.7
151.11211	0.9
153.12703	0.4
157.10129	1.0
157.12277	0.4
159.11714	1.5
161.09650	0.6
161.13255	1.3
163.03922	1.3
163.07509	0.6
163.11165	0.7
165.09094	0.6
165.12804	0.8
169.10109	0.5
171.11681	0.7
173.09491	0.4
173.13252	0.8
175.14885	0.7
177.12758	0.7
177.16371	0.4
179.10759	0.5
179.14316	0.4
185.13332	0.8
187.11153	0.5
187.14771	0.6
189.11203	0.6
189.12794	0.5
193.12120	0.3
195.13881	0.5
203.14507	0.4
203.17978	0.8
205.12379	0.3
213.12962	0.4
221.19104	0.5
271.06073	0.7
275.23676	0.4
303.23227	2.5
321.24301	1.3
347.07425	3.3
349.08978	1.9
402.22385	0.4
411.25354	0.7
429.26340	1.2
447.27356	2.8
465.28363	2.6
483.29425	1.3
501.20947	100.0
502.21289	1.1
502.69357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.21
Annotation	Verrucarin B
Peak:m/z	Relative Intensity
52.99713	0.3
53.03951	0.4
55.01865	0.5
55.05513	3.7
57.07076	0.3
60.07611	0.3
67.03511	0.3
67.05513	2.5
69.03430	1.3
69.07066	2.5
69.52532	1.8
71.04996	0.5
79.05502	1.6
81.03426	1.8
81.07053	5.0
83.04959	0.8
83.08588	0.7
84.96043	0.3
85.02895	1.0
85.06535	1.0
91.05487	1.5
93.07054	2.6
95.04962	1.8
95.08615	4.5
97.02882	0.8
97.06519	0.9
97.10169	5.7
98.97560	0.3
99.04455	0.5
103.05476	0.6
105.03374	1.0
105.07043	2.6
107.04960	0.7
107.08585	2.4
109.02893	1.6
109.06521	1.2
109.10154	2.9
111.04488	0.6
111.08077	0.8
111.11728	0.4
114.43160	0.3
115.05480	0.3
117.06965	0.4
118.51908	0.3
119.08596	2.0
119.33855	0.3
121.02837	0.8
121.06525	0.4
121.10137	1.9
123.08070	1.1
123.11676	1.7
125.09633	1.2
127.03915	1.0
127.11220	0.4
129.07034	0.4
130.07794	0.3
131.04884	0.8
131.08589	0.8
133.06422	0.4
133.10158	1.5
135.08055	0.5
135.11705	1.3
137.05978	0.4
137.09610	0.5
137.13245	0.4
139.03891	0.5
139.11150	0.8
143.10664	1.3
145.10158	1.6
147.04396	0.9
147.08034	0.5
147.11650	1.1
149.13263	0.9
151.11211	0.5
157.10216	0.4
159.11708	0.8
161.13287	0.6
163.11182	0.3
163.14816	0.4
165.12758	0.5
170.47604	0.3
171.11714	0.5
173.09671	0.4
173.13232	0.5
175.11127	0.4
175.14786	0.3
177.05460	0.7
177.09048	0.3
177.12776	0.5
181.40128	0.3
187.14749	0.4
189.11258	0.3
189.12784	0.4
189.16479	0.3
191.14357	0.3
197.13185	0.3
198.51521	0.3
203.18208	0.3
223.16861	0.4
237.14938	0.3
257.22690	0.3
271.06036	0.4
275.23685	0.3
281.28442	0.3
303.23059	1.6
321.24368	1.0
347.07346	1.8
349.08975	1.3
363.08975	5.6
365.10599	1.4
411.25015	0.7
429.26379	1.3
447.27328	1.7
465.28656	2.1
471.87457	0.3
483.29483	1.0
501.21033	100.0
502.21512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.21
Annotation	Verrucarin B
Peak:m/z	Relative Intensity
53.03935	1.2
55.01873	0.6
55.05513	5.1
56.96562	0.5
57.07067	1.0
59.04996	0.9
66.07215	0.4
67.05506	3.8
69.03427	2.1
69.07072	4.4
69.39211	2.7
71.04987	1.5
79.05500	3.1
81.03421	3.1
81.07056	9.9
83.05002	1.8
83.08618	1.6
84.96011	0.7
85.02905	1.7
85.06544	1.7
91.05494	3.3
93.07049	6.5
95.04968	3.3
95.08608	7.4
97.02901	1.2
97.06546	2.2
97.10178	8.6
98.97614	0.6
99.04476	0.9
99.08116	0.9
101.06039	0.6
103.05484	0.6
105.03413	1.6
105.07033	4.6
107.04960	2.1
107.08590	6.1
107.95723	0.4
109.02895	2.8
109.06530	1.3
109.10157	5.4
111.04422	0.8
111.08106	1.6
111.11729	0.9
113.06062	0.6
114.97104	0.4
116.98631	0.4
117.07014	0.6
119.04933	0.7
119.08575	4.1
121.02887	0.5
121.06525	1.0
121.10160	4.1
123.04443	1.1
123.08104	1.1
123.11709	3.9
125.05965	0.6
125.09645	2.2
127.03921	2.3
129.07028	0.7
131.04964	0.5
131.08604	1.8
133.06531	0.7
133.10156	3.0
135.08121	0.6
135.11681	3.6
136.60805	0.4
137.05988	1.1
137.09624	0.9
137.13254	0.9
139.03938	3.0
139.11198	1.6
143.08591	1.4
143.10667	2.8
145.06567	0.4
145.10136	2.0
147.04434	2.0
147.08031	0.7
147.11679	2.7
149.05936	0.6
149.09610	0.7
149.13263	1.3
151.03958	0.6
151.07562	0.5
151.11182	1.2
153.12746	0.5
157.10184	1.0
157.12247	0.6
159.08034	0.5
159.11694	2.7
161.05962	0.4
161.09592	0.9
161.13268	1.4
163.03932	1.9
163.11227	1.1
163.14909	0.6
165.09090	0.5
165.12764	0.8
169.10248	0.5
171.08069	0.5
171.11739	0.8
173.13252	0.8
175.11111	0.5
175.14833	0.9
177.05429	0.5
177.12825	0.8
179.14285	0.4
183.11729	0.5
187.14871	0.8
189.11229	0.7
189.12813	0.6
191.14282	0.6
203.17949	0.8
221.19055	0.7
223.17023	0.5
255.21239	0.4
271.06058	0.8
285.22095	0.5
303.23184	3.2
315.15570	0.5
321.24234	1.5
333.09515	0.5
347.07391	2.8
349.08923	1.7
369.85312	0.5
379.93561	0.4
396.13324	0.5
405.26300	0.7
411.25360	0.6
429.26450	1.9
447.27234	3.1
465.28549	4.0
471.30771	0.6
483.05661	0.4
483.29544	1.7
501.20966	100.0
502.21246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2097
Annotation	Verrucarin B
Peak:m/z	Relative Intensity
53.03941	1.8
55.01876	1.0
55.05514	8.3
56.96565	0.8
57.03446	1.1
57.07089	0.7
59.04981	0.8
62.34529	0.5
67.05505	6.0
69.03432	4.4
69.07072	7.4
69.21329	5.5
71.05000	2.1
78.22451	0.6
79.05495	5.0
81.03419	4.5
81.07056	16.4
83.04993	3.1
83.08617	1.8
85.02921	3.0
85.06538	2.2
85.18213	0.5
87.17010	0.6
91.05466	4.9
91.15278	0.6
93.07050	9.8
95.04982	4.4
95.08614	9.5
97.02888	2.0
97.06534	2.7
97.10177	11.5
98.21555	0.9
98.97591	0.9
99.04479	1.5
99.08053	0.7
101.06016	0.8
105.03403	2.6
105.07040	7.6
107.04966	2.2
107.08606	9.3
109.02894	4.4
109.06526	2.9
109.10159	7.5
111.04443	1.6
111.08102	2.8
111.11749	1.4
112.85498	0.7
117.07014	1.3
119.08612	5.7
121.02900	1.0
121.06493	1.6
121.10161	6.1
123.04435	1.5
123.08111	1.3
123.11716	5.9
125.09638	3.1
127.03899	3.3
128.98596	0.6
131.05006	0.7
131.08594	2.7
133.06473	0.7
133.10155	4.6
135.08092	1.2
135.11723	5.2
137.05995	1.3
137.09648	1.6
137.13297	0.9
139.03946	3.3
139.11197	3.4
139.81306	0.6
141.09073	0.9
143.08574	2.3
143.10681	3.8
145.06514	1.0
145.10092	3.2
147.04417	2.3
147.11688	4.9
149.09633	1.5
149.13271	2.8
151.03954	0.9
151.11192	1.6
153.12782	0.9
157.10139	1.9
157.12254	1.2
159.07959	1.2
159.11676	4.1
161.09610	1.5
161.13292	2.4
163.03905	1.2
163.11179	1.6
163.14928	1.3
165.12787	1.0
171.11679	1.0
173.09564	0.7
173.13290	2.2
175.14771	0.9
177.05537	1.1
177.12746	1.8
183.11702	0.9
189.11171	0.8
199.14856	0.7
205.05046	1.3
221.19295	0.9
247.16946	0.7
251.05453	0.6
275.23517	0.8
285.22504	0.9
303.23224	4.8
303.97647	0.7
321.24112	3.0
333.16702	0.7
339.25305	0.7
347.07458	2.9
349.09174	4.2
377.08713	2.1
411.25369	1.6
413.04190	0.6
429.26392	2.7
447.27505	4.6
465.18524	0.7
465.28397	6.3
483.29611	2.3
501.20978	100.0
502.21439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.8
57.03445	14.5
57.07089	13.1
58.23577	1.9
59.05000	4.6
62.89564	1.7
65.03924	3.4
67.05508	80.7
69.07076	23.6
69.33913	4.6
69.34315	10.6
71.04995	3.5
71.08626	7.6
79.05513	3.2
81.07052	15.2
83.08615	27.2
84.37807	1.7
85.06568	2.1
85.10167	2.0
91.05490	3.8
93.07027	5.1
95.08617	10.3
97.06495	2.2
97.10182	14.8
107.08629	2.8
109.10164	70.1
111.08068	5.8
111.11690	3.8
119.08565	5.5
121.10099	3.6
137.09633	3.2
155.10675	6.0
173.11746	20.5
229.14368	100.0
311.25806	83.7
400.27530	1.7
465.29208	4.1
465.35782	65.4
501.33157	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	501.21
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99713	0.3
53.03951	0.4
55.01865	0.5
55.05513	3.7
57.07076	0.3
60.07611	0.3
67.03511	0.3
67.05513	2.5
69.03430	1.3
69.07066	2.5
69.52532	1.8
71.04996	0.5
79.05502	1.6
81.03426	1.8
81.07053	5.0
83.04959	0.8
83.08588	0.7
84.96043	0.3
85.02895	1.0
85.06535	1.0
91.05487	1.5
93.07054	2.6
95.04962	1.8
95.08615	4.5
97.02882	0.8
97.06519	0.9
97.10169	5.7
98.97560	0.3
99.04455	0.5
103.05476	0.6
105.03374	1.0
105.07043	2.6
107.04960	0.7
107.08585	2.4
109.02893	1.6
109.06521	1.2
109.10154	2.9
111.04488	0.6
111.08077	0.8
111.11728	0.4
114.43160	0.3
115.05480	0.3
117.06965	0.4
118.51908	0.3
119.08596	2.0
119.33855	0.3
121.02837	0.8
121.06525	0.4
121.10137	1.9
123.08070	1.1
123.11676	1.7
125.09633	1.2
127.03915	1.0
127.11220	0.4
129.07034	0.4
130.07794	0.3
131.04884	0.8
131.08589	0.8
133.06422	0.4
133.10158	1.5
135.08055	0.5
135.11705	1.3
137.05978	0.4
137.09610	0.5
137.13245	0.4
139.03891	0.5
139.11150	0.8
143.10664	1.3
145.10158	1.6
147.04396	0.9
147.08034	0.5
147.11650	1.1
149.13263	0.9
151.11211	0.5
157.10216	0.4
159.11708	0.8
161.13287	0.6
163.11182	0.3
163.14816	0.4
165.12758	0.5
170.47604	0.3
171.11714	0.5
173.09671	0.4
173.13232	0.5
175.11127	0.4
175.14786	0.3
177.05460	0.7
177.09048	0.3
177.12776	0.5
181.40128	0.3
187.14749	0.4
189.11258	0.3
189.12784	0.4
189.16479	0.3
191.14357	0.3
197.13185	0.3
198.51521	0.3
203.18208	0.3
223.16861	0.4
237.14938	0.3
257.22690	0.3
271.06036	0.4
275.23685	0.3
281.28442	0.3
303.23059	1.6
321.24368	1.0
347.07346	1.8
349.08975	1.3
363.08975	5.6
365.10599	1.4
411.25015	0.7
429.26379	1.3
447.27328	1.7
465.28656	2.1
471.87457	0.3
483.29483	1.0
501.21033	100.0
502.21512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.05517	24.5
57.03444	28.0
63.49285	4.3
67.05510	57.8
69.03426	6.5
69.07060	17.1
69.73787	12.8
69.74197	8.7
70.41743	3.9
71.04979	6.3
79.05493	61.3
81.02991	6.7
81.03425	70.0
81.07061	50.9
83.05004	25.4
83.08613	27.6
85.02908	23.2
91.05496	45.0
93.07056	63.3
95.04984	27.8
95.08600	14.1
97.02870	5.1
97.06516	19.0
97.10159	15.5
98.21552	6.5
103.05391	4.8
105.07047	24.3
107.04976	5.3
107.08611	39.6
108.67838	4.0
109.06493	6.5
109.10139	6.0
109.19717	3.8
111.08060	9.3
111.92374	4.9
117.07019	5.5
119.08590	24.2
121.06497	4.9
121.10133	13.0
122.76337	4.1
125.09555	5.7
129.07011	10.6
131.08563	13.5
133.10133	16.0
135.11699	53.9
142.07820	6.1
145.10144	11.1
147.11671	14.6
149.09567	5.2
157.10091	15.5
163.11194	15.0
175.11153	14.7
180.77969	3.6
181.12195	11.4
193.12239	53.6
211.13300	72.6
255.15912	100.0
267.09125	9.9
267.15979	28.4
285.10123	11.8
285.17001	56.0
348.14984	5.2
385.90970	4.3
447.27444	50.7
465.28513	97.4
500.31934	5.7
506.57172	4.4
516.28790	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	499.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52499	1.9
53.03947	8.5
55.01874	5.2
55.05518	29.8
57.03445	22.9
57.07074	4.3
59.04967	2.0
61.02644	3.8
61.02932	49.6
62.54327	1.9
63.22552	2.2
65.03954	2.7
67.05510	76.7
69.03432	35.2
69.07070	40.0
71.01360	5.8
71.05008	6.4
71.08624	2.6
71.38731	4.2
73.02920	26.7
75.04483	2.6
79.05500	37.5
81.03424	19.4
81.07064	100.0
81.71120	2.0
83.04994	6.4
83.08624	23.3
85.02430	4.5
85.02913	54.9
85.06547	2.6
85.10162	2.6
91.03972	31.0
91.05486	26.9
93.07050	32.7
95.04984	8.1
95.08613	65.5
97.02900	43.3
97.06545	4.1
97.10146	12.1
98.20673	1.9
99.04461	10.8
99.08083	4.0
101.02377	7.7
103.03960	9.8
105.07038	18.2
107.08601	22.1
109.02880	10.8
109.06566	3.0
109.10168	30.3
111.04483	2.7
111.08086	3.1
111.11723	3.8
111.71803	2.0
115.03925	5.7
117.07018	4.4
119.08573	20.4
121.10154	19.3
123.08048	2.3
123.11728	12.5
125.09602	3.5
127.03937	23.9
127.04830	3.5
129.05499	6.4
129.07082	2.4
131.08588	7.7
133.10156	12.5
135.11736	11.7
137.13286	6.1
145.04977	8.1
145.10112	3.7
147.11703	9.1
149.13277	9.9
153.12775	2.5
157.10162	2.4
159.06628	3.2
159.11736	3.3
161.13271	8.3
163.14839	7.4
171.11780	2.8
175.14844	7.1
175.35495	2.3
177.12779	2.4
177.62619	2.3
183.06583	4.3
187.14789	3.7
189.16446	4.0
199.14958	2.5
201.07629	4.4
208.21925	2.6
245.22762	11.1
263.23740	21.0
270.17868	4.3
275.23737	3.4
303.23181	6.3
337.27405	86.4
347.25818	3.8
365.26892	6.1
371.25726	4.8
389.26923	2.7
407.27795	3.0
445.29532	4.4
463.30557	3.7
464.30933	9.5
481.31052	4.9
499.32773	33.0
500.32959	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.7
69.03442	2.1
69.46690	1.0
70.99038	1.2
70.99371	1.8
79.05483	1.4
85.02905	2.8
92.05018	5.0
94.06530	1.0
96.08124	4.2
96.08710	1.1
97.02898	1.3
122.06030	1.1
124.07564	3.8
126.09165	6.9
127.03910	1.2
131.01859	1.0
138.05476	1.2
138.09132	2.8
148.03947	4.7
150.05531	1.5
152.07074	25.3
155.89989	1.0
164.58858	1.1
166.05016	42.5
176.03462	8.5
182.04550	8.8
194.04529	5.1
198.07878	1.6
199.08568	1.5
200.10777	1.7
211.08612	1.4
212.09457	3.3
215.08174	1.2
224.33905	0.9
225.10242	2.5
227.08321	1.3
227.11804	3.1
228.10292	1.4
229.13414	1.3
233.09229	3.2
240.08794	1.4
243.11278	1.7
253.09796	5.5
255.11261	4.1
257.09323	1.5
259.07080	2.8
261.12454	1.0
270.10049	1.3
271.10718	7.9
273.08759	1.5
273.12228	1.9
283.10803	38.7
289.11777	4.6
301.11819	29.0
319.12906	100.0
450.18280	1.1
481.18341	1.8
499.17621	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
53.12937	1.3
55.01863	6.6
55.05513	25.8
56.05050	1.7
57.03442	26.7
57.07071	6.8
58.06589	1.4
59.04996	1.8
60.08156	5.4
61.02929	61.1
65.03934	2.1
67.05507	75.2
67.25514	1.4
68.20751	1.7
68.99264	1.3
69.03042	1.8
69.03429	34.0
69.06728	2.6
69.07071	34.0
69.30430	13.8
71.01338	3.7
71.04990	5.4
71.08623	4.4
73.02923	29.8
75.04481	2.3
77.28120	1.3
79.05492	25.2
81.03426	24.3
81.07059	83.5
83.04984	6.7
83.08624	26.0
85.02905	59.8
85.06564	3.5
85.10168	2.2
86.09700	9.3
87.04444	3.7
87.10025	4.9
91.03956	42.1
91.05483	19.1
92.29057	1.4
92.45055	1.4
93.07046	31.9
95.04958	2.5
95.08609	67.1
97.02893	52.8
97.06525	6.4
97.10168	11.9
98.20702	2.7
99.04465	12.8
99.08111	3.5
101.02380	13.8
103.03960	7.6
104.10745	17.6
105.07037	14.7
105.11073	6.1
107.04948	1.9
107.08599	20.9
109.02882	12.9
109.06545	2.5
109.10161	32.2
109.80396	1.6
111.04434	3.6
111.08070	3.3
111.11712	3.7
115.03932	4.3
117.05480	1.8
117.07007	3.0
119.08578	12.4
121.06526	2.3
121.10155	15.6
123.11722	13.8
125.00011	3.7
125.09616	2.2
127.00478	1.7
127.03926	22.2
127.11234	1.5
129.05487	6.1
131.08527	3.7
133.10139	12.1
135.11626	8.4
135.87981	1.5
137.13234	5.5
143.08589	3.0
145.04953	10.7
145.10118	2.8
147.06534	1.7
147.11711	11.7
149.13260	6.7
151.11168	3.4
151.14880	3.2
153.12805	2.0
157.10074	2.0
161.13272	8.5
163.14821	8.2
165.12724	2.0
165.16440	2.3
166.40231	1.7
171.08051	1.4
175.14845	6.7
179.14305	2.3
183.06572	6.1
184.07376	11.2
185.07668	8.1
186.07784	7.5
189.16418	2.6
194.56505	1.5
201.07671	7.8
236.14955	3.3
237.15181	1.6
245.22688	14.1
249.90054	1.4
263.23743	27.2
275.23636	2.0
278.36630	1.8
303.23114	2.3
305.24796	1.7
317.24924	2.0
319.26251	2.4
337.27359	100.0
343.26160	2.4
365.27051	2.2
371.25858	2.7
379.28513	1.9
389.26999	1.7
445.29337	3.9
463.30338	2.6
481.31271	9.1
499.33197	48.6
505.13284	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95827	0.6
55.01858	0.6
65.03928	2.3
69.03432	0.9
70.00058	0.9
70.00454	1.9
79.05460	0.9
81.07059	1.0
85.02882	2.0
92.04987	3.2
96.08132	2.6
97.02900	0.8
98.97603	0.8
107.04942	0.7
108.08040	0.7
120.04475	0.9
122.06027	1.1
124.07621	3.5
126.09150	7.5
127.03910	0.6
138.09131	1.8
148.03941	3.4
150.05492	1.1
152.07068	24.7
158.09674	0.8
163.03859	3.3
164.03439	0.8
166.05000	46.5
171.09224	0.7
174.05582	0.8
176.03426	9.6
182.04520	8.0
194.04445	4.6
198.07776	0.9
198.09427	0.7
199.08630	1.6
200.10652	2.0
212.09465	2.6
215.08212	1.4
225.10194	1.1
226.10951	0.8
227.08069	1.5
227.11806	4.0
228.10132	2.6
233.09181	1.8
237.10402	0.7
240.08946	2.8
241.06119	1.3
241.09770	1.5
242.10419	1.2
243.11378	1.8
253.09685	4.3
254.08017	1.2
255.07674	1.0
255.11305	4.9
257.09238	1.9
257.12698	1.0
259.07138	2.5
261.12396	1.5
270.10001	1.9
271.10831	8.1
272.09164	1.9
273.08810	1.0
273.12317	2.8
275.07343	1.1
275.13962	1.1
283.10776	41.4
288.10916	1.4
289.11905	4.7
293.08334	2.4
299.69482	0.7
301.11835	32.7
319.12888	100.0
337.07236	1.3
337.13821	1.6
379.08493	2.8
481.18188	1.4
499.14026	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34062	0.6
57.03438	0.7
62.19850	0.5
65.03940	2.0
69.03409	1.2
70.87337	1.2
85.02885	1.7
92.05008	4.0
94.06557	0.7
96.08126	3.1
97.02871	1.2
107.03748	0.6
111.65167	0.5
122.05994	1.0
124.07579	4.0
126.09157	7.9
138.09143	2.5
148.03943	3.6
150.05513	1.3
152.07066	25.4
155.24823	0.6
157.10176	0.9
157.22383	0.5
164.03418	0.8
166.05003	43.6
176.03421	9.4
178.04955	0.6
182.04504	8.9
184.09929	0.8
194.04488	5.5
198.07780	0.9
199.08614	1.2
200.10670	1.9
202.01103	0.5
211.08600	1.1
212.09421	2.0
213.10226	1.5
215.08145	1.4
225.10274	2.1
227.08066	1.1
227.11746	4.2
228.10120	1.8
229.13362	1.0
233.09175	1.7
240.09006	1.8
241.09749	1.4
243.11226	0.9
245.12967	0.7
253.09721	4.4
255.11226	3.8
257.09222	1.7
257.12949	1.6
259.07220	2.8
261.12198	0.8
270.09958	1.3
271.10782	8.3
272.09122	1.6
273.09140	1.1
273.12341	2.5
283.10767	38.9
288.11084	0.8
289.11798	5.2
293.08261	1.4
301.11844	29.1
319.12885	100.0
337.07089	1.4
337.13843	2.0
361.13733	0.7
379.08368	3.6
391.08115	0.6
481.18106	1.5
499.13297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.2
57.22105	1.0
61.02910	1.1
69.03413	2.8
71.55232	1.9
72.98630	1.3
78.05244	1.1
82.04916	1.1
82.99877	3.7
84.96042	1.2
85.02892	2.0
89.35369	1.1
97.02890	2.3
98.97581	5.1
100.22692	1.4
101.00883	18.4
103.02444	4.6
113.00893	5.1
116.98590	1.9
119.01923	20.5
127.02432	12.3
127.03911	1.3
129.04015	1.3
131.01909	16.4
133.03497	1.8
138.89980	1.2
139.02396	3.9
143.01912	24.5
145.03470	34.0
147.01442	2.5
155.01868	26.2
157.03488	15.0
158.99792	1.6
161.02968	20.3
163.04555	4.1
167.01915	12.3
169.03453	5.7
170.99916	1.4
171.01395	6.9
171.05064	4.1
173.02971	40.9
174.99202	1.8
175.04535	3.8
179.01987	5.0
181.03546	2.7
183.01408	1.9
183.05026	1.7
184.04573	1.6
185.02957	41.1
185.04610	2.2
186.03081	1.3
187.04559	4.1
189.00824	2.2
189.02461	5.8
191.04008	3.3
193.00160	1.3
197.02962	18.7
199.00919	3.8
199.04594	3.5
201.00714	2.2
201.02518	2.8
203.03999	12.5
209.03004	3.7
215.04071	13.6
217.01945	54.8
217.05489	3.4
219.01816	1.7
221.05148	4.6
225.02580	1.4
227.04021	10.2
229.01942	9.2
233.05035	1.5
235.02971	11.1
239.04048	2.0
245.05080	100.0
246.05301	2.5
247.02916	9.7
247.06775	2.8
257.05069	11.9
261.03018	2.7
261.05811	4.8
263.06210	10.3
275.06125	13.4
277.04077	18.8
293.07309	3.5
301.04126	9.7
305.07205	10.1
307.08881	4.0
318.13367	1.3
319.05121	24.3
319.08670	2.4
326.86972	1.3
335.08173	4.8
337.06219	31.0
337.09845	1.8
365.09314	13.4
453.33240	1.2
481.09116	1.4
499.11380	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	1.5
57.03443	1.4
61.02922	1.7
69.03423	4.5
69.45405	9.5
70.99811	1.3
72.23550	1.1
81.03400	1.6
82.99861	3.8
85.01412	1.7
85.02904	8.5
94.99886	1.2
97.02889	3.4
98.20786	2.4
98.97598	8.1
101.00881	20.8
103.02424	4.5
105.28814	1.3
109.02877	2.5
110.97572	2.1
113.00895	8.8
116.98627	2.1
119.01952	22.1
127.02436	14.9
127.03901	3.2
128.98575	2.2
131.01915	16.0
133.03493	2.2
139.02403	4.7
143.00220	1.6
143.01901	29.2
143.02922	2.6
145.03461	38.9
145.04738	2.0
147.01357	2.8
155.01909	33.2
157.03442	18.6
158.99629	1.8
161.01714	1.7
161.02988	20.4
162.86368	1.4
163.04449	2.7
167.01903	15.2
169.03540	6.6
171.00012	1.3
171.01326	8.6
171.05048	3.7
173.02971	39.9
175.04550	3.7
179.01942	4.4
180.56102	1.3
181.03476	2.8
181.68896	1.2
183.01433	1.7
185.02977	47.1
187.04564	6.7
189.02344	7.1
191.04085	1.8
195.87624	1.5
197.02965	21.1
199.01022	6.4
199.02531	1.3
199.04474	4.0
201.00648	2.0
201.06154	1.7
203.04001	16.9
209.02956	3.0
215.04042	9.6
217.01945	56.0
217.05476	4.0
219.01788	3.1
221.04964	6.3
227.04044	12.7
229.01840	9.7
229.05496	2.4
235.03073	12.1
237.02933	2.5
239.04013	2.7
245.05096	100.0
247.02968	12.7
247.06847	3.0
253.03867	1.5
257.05072	12.5
258.07019	1.8
259.06662	1.7
261.03018	3.0
261.05771	14.9
263.06113	10.6
273.08154	2.3
275.06177	14.6
277.04086	16.8
293.07086	2.2
301.04059	9.6
305.07285	11.1
307.08597	3.6
319.05142	27.1
319.08707	3.9
335.08240	4.1
337.06186	30.9
337.09879	2.8
365.09381	11.9
439.12854	1.6
499.11295	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	499.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34214	1.2
56.96563	19.3
57.03439	3.1
58.99857	2.1
61.02914	2.5
64.86717	1.3
69.03437	11.0
70.98103	2.2
71.04970	2.2
71.53159	1.9
71.95253	2.7
73.02904	4.1
81.03406	3.7
82.99831	2.8
84.96025	6.2
85.01434	1.9
85.02909	21.9
91.05492	1.9
95.04959	1.4
97.02901	9.5
97.76546	1.3
98.97586	66.3
99.04465	2.3
101.00882	19.3
103.02438	4.7
107.04961	2.5
109.02878	3.6
110.97565	23.2
112.99135	4.5
113.00877	5.8
115.02439	1.6
116.98624	21.8
119.01137	2.4
119.01924	27.0
119.04927	1.4
123.04436	2.2
124.99084	2.1
127.00784	1.8
127.02403	14.9
127.03886	7.9
128.98618	18.9
129.03957	2.4
131.00160	3.8
131.01912	17.7
133.03491	2.2
134.99638	3.8
137.02962	2.2
137.05978	2.0
139.02441	5.1
140.98595	7.7
143.00192	12.3
143.01898	25.2
144.49214	1.4
145.01643	3.4
145.03476	44.3
145.04929	5.2
146.99631	8.9
147.01405	2.9
149.01215	3.2
149.02919	2.4
151.03905	2.4
152.98567	4.7
155.01881	34.9
156.98074	8.4
157.03479	18.6
158.99655	22.5
159.03212	1.4
159.05083	3.3
161.01230	7.9
161.02953	23.2
163.02716	1.6
163.04382	4.2
164.57765	1.3
167.01898	13.7
168.03641	1.6
169.03479	10.4
170.99664	18.1
171.01375	9.4
171.05061	4.5
173.01405	3.0
173.02965	43.5
174.97682	2.8
174.99152	34.8
175.00755	1.7
175.02959	3.1
175.04498	6.4
177.00758	14.5
177.02298	2.4
177.04190	3.0
179.01903	6.6
181.03470	2.2
181.05554	2.1
182.99684	12.1
183.01152	2.6
183.05078	2.0
185.01248	3.6
185.02954	49.8
185.04620	2.9
187.02887	2.3
187.04527	10.2
189.00710	17.5
189.02441	8.5
189.04005	2.3
189.05812	1.7
191.02161	4.2
191.03964	4.3
193.00233	22.5
194.99535	1.5
197.02986	17.7
199.00946	6.9
199.04564	4.1
200.04347	1.7
201.00717	41.8
201.02541	2.6
201.04066	1.5
201.06027	2.4
203.02309	2.8
203.03995	14.7
205.02060	1.6
205.05566	3.0
207.01756	2.4
208.04689	1.6
209.03061	4.7
211.00966	1.9
211.04616	2.0
213.00735	2.8
215.02219	2.2
215.04018	9.6
217.00139	15.0
217.01958	63.6
217.05492	3.7
219.01782	33.5
221.05020	9.7
221.21097	1.4
225.00665	1.6
225.02628	1.7
227.02473	1.3
227.04053	13.5
229.01709	9.4
229.03909	9.7
231.01781	4.5
231.07097	1.9
233.03291	2.9
235.01123	5.6
235.03166	10.5
237.02844	19.8
239.04033	2.2
241.05482	1.7
243.01753	13.3
245.05089	100.0
247.01108	3.6
247.03127	11.2
247.06734	4.7
249.06284	3.0
257.05081	12.1
258.06845	3.2
259.06781	3.2
261.02832	58.1
261.05807	21.5
263.06207	12.2
265.07834	1.6
273.02798	4.3
275.06271	12.8
277.04401	17.1
279.03931	23.5
281.07193	2.8
291.03854	11.6
293.05228	4.0
301.04248	10.3
302.05600	2.0
305.07281	9.5
307.08633	6.1
311.06335	1.6
319.04889	20.0
319.09106	2.7
319.12845	5.6
321.01160	2.1
321.04929	29.5
321.10449	1.8
323.06528	2.1
326.58987	1.8
331.05405	1.6
333.04868	4.4
335.08386	2.6
337.06454	28.5
339.09552	1.7
351.02173	1.5
351.06058	7.4
361.04367	2.6
365.09326	13.8
381.07083	8.0
399.08279	6.6
402.91623	1.4
421.06546	2.0
442.81216	1.5
468.20575	1.5
481.08545	10.2
499.10760	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05513	1.9
57.02129	0.3
57.03434	7.3
57.07046	0.5
58.06599	26.8
59.04981	0.4
59.07381	8.7
60.08164	7.4
67.05185	0.3
67.05501	5.2
69.07059	2.2
73.02912	0.8
75.04482	4.1
79.05489	1.5
81.06666	0.3
81.07052	4.4
83.04899	0.3
83.08607	0.9
84.08131	0.5
85.02902	2.0
87.04457	4.6
91.05463	1.2
93.07051	1.4
95.08609	3.2
97.06512	0.3
97.10108	0.5
102.05540	0.5
103.03924	0.9
105.05497	1.0
105.06973	0.5
107.08534	0.9
109.10121	0.9
113.05970	0.6
118.12233	0.3
119.08575	0.6
121.10173	0.4
123.11670	0.3
130.08632	0.4
131.07042	1.9
135.11583	0.4
144.10199	7.9
159.06476	0.5
161.13284	0.3
162.11258	4.3
169.95543	0.3
182.60016	0.3
195.71797	0.3
200.12883	0.6
205.25676	0.3
206.87271	0.3
218.13870	1.1
236.14925	100.0
237.15196	0.6
250.32458	0.3
269.17535	0.8
327.25061	0.3
393.29916	0.4
436.37927	0.4
452.70422	0.3
463.30704	0.6
480.31332	0.3
480.36850	22.4
498.37900	81.8
498.90994	0.3
499.38239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
56.96540	0.4
57.07069	1.5
59.04993	1.1
61.02896	0.5
67.05490	1.5
69.03418	1.1
69.07050	1.7
70.02462	1.1
70.02936	2.5
71.04986	1.5
72.04516	5.3
73.02902	1.4
79.05495	0.4
81.03403	0.8
81.07049	0.8
83.04971	0.9
85.02893	1.9
85.06544	3.9
86.09678	0.7
87.08092	0.6
89.06030	3.8
90.05556	42.4
91.05470	1.3
92.92845	0.4
95.04968	2.3
96.08126	0.6
97.02892	2.1
98.02414	5.9
98.97562	0.7
100.03957	1.5
103.07586	2.8
107.04955	1.0
109.02855	0.8
113.05991	1.2
116.03455	6.1
121.06499	0.4
124.07604	6.4
127.03935	1.0
131.07016	0.6
131.08583	0.4
137.05936	0.4
142.08650	2.9
145.04941	1.1
146.05977	0.4
147.04393	1.4
156.10286	0.4
160.09698	1.0
162.05495	0.9
166.08662	0.6
174.11188	1.2
181.50070	0.4
184.09685	10.0
184.42328	0.4
202.10745	16.2
215.55705	0.4
215.69981	0.4
219.01791	0.4
220.11806	100.0
221.12172	0.6
239.88449	0.4
256.69443	0.4
302.61057	0.4
350.08392	0.4
394.00803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33205	2.1
55.05509	9.9
57.03436	5.8
67.05508	34.4
69.07063	11.0
71.05006	3.9
79.05511	27.3
81.03445	3.0
81.07069	51.7
83.04995	2.1
83.08624	8.2
85.06527	2.3
91.05487	17.2
93.07041	37.3
95.04979	4.4
95.08615	16.1
97.06541	6.7
98.21535	3.9
105.04562	2.7
105.07040	9.3
107.08595	24.4
109.10157	3.0
111.08078	3.8
117.07034	8.2
119.08589	4.4
121.10172	11.0
129.07050	3.8
131.08583	12.1
133.10147	11.4
135.11734	6.0
145.10114	4.1
149.13266	11.9
151.98515	2.3
155.08609	2.4
157.10266	2.7
159.11723	7.0
177.12692	3.5
195.13770	11.2
213.14857	2.9
222.67599	2.1
238.53026	1.8
269.17493	56.2
353.24670	3.3
371.26144	2.4
389.26923	3.5
427.28604	2.5
445.29538	16.5
463.30612	100.0
464.30756	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	497.1448
Annotation	Cadensin F
Peak:m/z	Relative Intensity
53.03940	0.7
55.01849	0.8
55.05502	0.9
56.96553	0.6
57.03417	0.4
65.03945	0.4
67.01870	8.9
67.05483	1.3
68.99438	0.5
68.99788	5.2
69.03432	2.0
69.07065	0.8
70.66760	1.1
71.04993	0.6
72.30180	0.3
73.14625	0.3
77.03926	0.6
78.04707	0.4
78.17056	0.3
79.05507	1.9
81.03416	2.6
81.07034	1.5
83.01333	0.9
83.04961	0.4
85.02905	0.9
89.03895	0.7
91.05484	4.6
93.03411	0.6
93.07059	3.1
95.04958	1.4
95.08604	1.2
97.02878	1.5
97.06477	0.5
97.10131	0.7
98.97585	1.0
103.05487	2.7
104.06266	0.5
105.03364	1.0
105.06391	0.5
105.07038	5.9
106.04166	1.4
107.04950	4.2
107.08575	1.4
109.02901	0.6
109.06496	1.2
109.10133	0.9
111.00806	1.7
111.04440	0.5
115.05447	1.5
117.03377	0.9
117.06953	0.4
118.04176	1.0
119.04968	1.9
119.08591	1.1
120.05204	0.4
121.02845	0.4
121.06506	2.8
121.10126	1.2
122.07288	0.5
123.04450	3.1
123.08049	0.5
123.11685	0.5
125.02351	1.5
125.05993	0.6
127.03909	1.1
129.01831	0.9
131.04932	7.2
131.08592	0.6
132.05719	7.0
133.02863	2.3
133.06502	5.2
133.10133	0.5
134.03587	0.5
135.04417	3.4
135.08066	0.6
135.11665	0.8
137.05998	1.2
139.03911	1.2
139.07539	0.6
140.04697	0.7
143.06044	0.5
145.02875	0.7
146.03604	0.5
147.04405	6.9
148.04872	1.3
149.02306	0.7
149.05986	5.5
149.09624	0.6
150.03168	0.5
151.03912	2.1
151.07578	1.0
152.04645	0.4
153.01834	100.0
153.09076	0.9
154.06248	2.2
155.07031	1.2
157.10068	0.3
159.04399	1.9
159.11765	0.4
160.05176	2.3
161.02350	0.7
161.05994	15.3
162.06767	0.5
163.03915	1.6
163.07539	1.1
163.11201	0.6
164.04623	0.5
165.05486	2.8
167.07048	16.9
171.02902	20.1
171.04208	0.8
173.06041	1.1
175.03978	2.0
175.07562	0.6
176.04655	0.6
177.05469	5.1
178.06244	0.5
179.03410	22.4
179.06958	3.0
180.07813	4.7
181.08568	2.9
182.09396	6.4
185.06007	0.9
187.03934	4.8
189.05476	0.6
191.07024	3.2
192.07823	9.9
193.08612	17.0
199.03905	1.1
201.05470	1.5
203.03410	7.2
203.07120	0.4
204.03764	0.4
207.06525	0.5
209.06075	0.5
209.08107	12.2
210.08888	15.3
213.05527	1.6
217.04898	2.1
227.03510	0.4
231.06622	1.7
233.06021	0.4
235.07527	0.4
237.02858	0.5
241.05017	1.4
245.04482	0.4
257.04462	0.9
258.04831	0.6
259.06052	3.2
262.06067	0.4
263.07098	0.5
269.04547	2.6
271.05896	0.6
275.13382	0.5
287.05499	11.2
295.09634	0.8
299.05554	0.9
303.06842	0.4
313.07083	12.3
313.10104	0.6
315.12186	0.7
317.14206	0.5
321.07672	0.8
325.07220	1.0
327.12305	0.7
343.08142	5.4
345.13504	0.6
353.10272	1.0
371.11115	1.8
372.32520	0.4
384.12689	0.3
437.18625	1.0
447.10565	0.6
455.19669	0.4
467.13531	1.7
479.13562	0.4
497.14432	15.2
497.27420	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	497.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03943	10.2
55.01858	5.0
55.05510	23.1
57.03440	32.6
57.07077	3.4
60.48707	1.5
61.02930	59.7
65.03934	4.3
65.44673	1.7
67.05509	96.9
69.03430	44.4
69.07076	22.8
69.85797	4.8
69.86205	4.1
70.52786	1.7
71.01337	6.3
71.05004	8.2
73.02511	1.8
73.02924	30.4
75.04482	3.3
79.05496	63.5
81.03426	27.2
81.07059	100.0
83.04971	5.8
83.05416	1.7
83.08620	10.9
85.02912	69.0
85.06566	2.4
87.04466	3.9
91.03958	41.6
91.05483	39.9
93.06479	3.3
93.07051	69.7
95.04963	9.9
95.08611	76.8
97.02898	57.4
97.06532	6.5
97.10163	7.1
99.04465	11.4
99.08073	3.6
101.02386	13.8
103.03938	10.0
105.07034	31.3
107.04948	5.4
107.08601	39.5
109.02866	11.0
109.06525	5.2
109.09460	3.1
109.10161	34.9
110.76263	1.8
111.04460	3.4
111.08065	2.5
115.03940	6.2
117.05474	4.3
117.07011	13.4
119.08586	25.2
121.06487	3.0
121.10159	29.9
123.08088	3.7
123.11725	16.2
127.03918	22.2
129.05473	6.5
129.06981	4.2
131.08566	24.0
133.10130	19.1
135.11693	20.5
137.09639	4.0
137.13245	4.6
141.07025	2.2
143.08559	6.8
145.04967	8.3
145.06488	2.7
145.10114	17.2
147.08000	2.9
147.11667	14.0
149.09634	3.5
149.13293	12.4
151.07349	1.9
151.11079	3.1
155.70575	1.8
157.10109	3.3
159.06570	3.4
159.11684	13.0
161.09639	2.4
161.13234	10.5
163.11201	2.4
163.14824	6.8
164.99101	1.7
169.10110	1.9
171.11673	3.6
173.13249	10.8
175.11174	2.3
175.14838	3.2
177.12831	2.7
183.06535	5.5
185.13271	6.3
187.14847	6.8
199.14876	3.9
201.07599	4.8
201.16483	2.0
243.21063	7.3
259.20450	2.5
261.22195	25.9
285.21701	1.8
289.21536	2.2
299.23364	1.8
303.23251	5.4
327.23120	3.3
333.23941	2.6
335.25818	92.9
345.24191	2.3
351.23315	2.3
363.25037	4.5
369.24136	5.0
377.26962	3.0
387.25415	5.2
394.66171	2.0
405.26654	2.8
443.27704	3.6
461.28806	5.2
479.30353	9.6
497.31094	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	497.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01860	0.5
55.05502	0.7
56.96566	0.5
57.03417	0.6
65.03937	0.3
67.01541	0.4
67.01874	7.3
67.05481	1.4
68.99484	0.4
68.99793	4.0
69.03426	2.1
69.07055	0.6
69.26357	1.7
69.26777	1.3
71.04994	0.6
73.02892	0.3
77.03961	0.3
78.04697	0.4
79.05491	2.1
81.03427	2.0
81.07072	1.8
82.07439	0.3
83.01323	0.5
83.04979	0.4
83.08608	0.4
85.02887	1.1
91.05486	3.1
93.03372	0.3
93.07049	2.6
95.04955	1.0
95.08585	1.3
97.02892	1.7
97.06524	0.5
97.10184	0.4
98.97552	0.8
99.04422	0.4
103.05473	4.2
104.06270	1.9
105.03389	1.3
105.07034	3.5
106.04189	0.6
107.04948	2.3
107.08559	0.9
109.02869	0.7
109.06493	0.8
109.10141	0.9
110.76521	0.3
111.00790	1.5
115.05458	1.3
117.03366	1.2
117.07006	0.4
118.04152	1.2
119.04927	2.6
119.08586	1.0
121.06522	1.9
121.10146	1.1
123.04428	2.4
123.11719	0.5
125.02346	1.1
127.03915	1.2
129.01859	0.5
130.04163	1.0
131.04938	12.6
131.08632	0.4
132.05717	13.4
133.02846	1.5
133.06505	1.8
133.10117	0.5
135.04401	2.1
135.08066	0.6
135.11717	0.5
137.02365	0.3
137.05992	0.6
139.03915	0.6
139.07532	0.4
140.04704	0.7
145.02853	0.4
145.06503	0.5
145.10141	0.6
146.03644	1.1
146.35268	0.3
147.04431	6.0
147.11694	0.4
148.04730	2.1
149.02396	0.8
149.05983	2.9
149.09598	0.8
151.03906	0.9
153.01837	100.0
153.12759	0.7
154.02188	0.7
154.06194	0.4
155.07155	0.5
157.06615	0.4
159.04396	1.7
159.11641	0.4
160.05211	6.5
161.02464	0.4
161.05991	7.3
162.03038	0.4
162.06783	0.7
163.03871	2.2
163.07535	2.2
163.11180	0.5
164.04716	1.2
165.05484	1.1
166.02797	0.4
167.03421	0.8
167.07054	8.4
167.08435	0.7
171.02902	16.3
171.04221	0.8
173.06047	1.5
175.03880	1.6
176.00415	0.4
176.04749	0.8
177.05478	7.7
178.06209	1.2
179.03410	18.1
179.06883	1.6
180.07880	2.0
181.08597	1.9
182.09415	1.8
185.06047	0.6
187.03908	2.0
189.05429	0.4
191.07036	10.6
191.10747	0.5
192.07826	36.7
193.08609	6.6
193.12354	0.6
194.04675	0.4
199.03951	1.0
201.05542	0.6
203.03383	2.9
207.06482	0.6
207.08203	0.4
209.06252	0.7
209.08098	5.9
210.08861	8.0
213.05499	1.4
215.07002	0.5
217.05046	0.7
231.06564	1.2
241.04979	1.1
243.06416	0.4
243.27097	0.4
251.07030	0.4
258.04990	0.6
259.06064	2.6
269.04477	0.9
275.94031	0.4
281.07938	0.5
283.05920	0.5
287.05466	2.5
289.05994	0.4
291.70599	0.4
295.09698	1.6
297.07666	0.4
311.09225	1.2
313.07043	5.4
315.11987	0.4
325.07288	1.5
325.10559	0.4
327.12329	1.4
329.10187	0.4
341.10245	0.5
343.08252	2.6
345.13562	0.5
353.10211	1.1
371.11459	0.9
380.32779	0.3
415.29608	0.3
447.10812	2.6
467.13333	2.7
479.12854	1.8
497.14404	16.6
497.26727	3.0
498.14050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05504	0.6
56.05039	1.0
57.03432	0.5
57.07081	3.4
57.88877	0.2
58.06572	1.4
60.08167	17.5
62.01199	0.1
67.05497	0.7
69.07056	0.6
70.06572	0.2
70.23260	0.6
71.07378	6.2
71.08630	2.1
81.07063	0.8
83.08627	0.3
85.10195	1.0
86.09711	51.2
95.08615	1.3
97.10178	0.3
98.98473	3.8
104.10751	100.0
107.18703	0.1
109.10164	0.5
125.00011	28.9
156.72565	0.1
161.96602	0.1
163.01579	0.7
166.06316	0.2
181.02534	0.2
184.07349	92.1
185.07669	0.3
254.73009	0.2
258.11044	0.9
288.99149	0.2
294.26172	0.2
313.27432	1.9
419.25461	0.4
478.32977	8.4
496.34009	36.8
497.34564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28575	0.1
56.05046	0.5
57.07075	0.9
58.06361	0.2
58.06638	0.5
59.07416	0.2
60.08167	5.2
65.57937	0.1
67.05496	0.1
69.07057	0.2
71.07379	2.7
71.08652	0.4
85.10191	0.3
86.09711	28.2
95.08627	0.4
98.21493	0.3
98.98472	2.7
104.10754	2.7
107.08632	0.2
122.35531	0.1
125.00011	18.9
161.35672	0.1
184.07350	100.0
185.07629	0.3
233.18964	0.1
239.23679	0.1
313.27438	0.3
366.50159	0.1
442.82114	0.1
478.33151	1.0
496.27151	0.2
496.34018	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	496.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.0
53.03936	3.4
55.05495	1.3
57.03427	2.0
57.07058	2.5
59.43164	1.1
60.28232	1.1
61.02922	2.8
67.05503	6.6
69.03439	7.2
69.07047	2.6
69.34682	8.9
71.89440	1.0
79.05493	7.7
81.03406	4.1
81.07057	100.0
85.02910	41.1
85.03435	1.5
87.04467	1.4
91.03954	1.5
91.05478	8.8
93.07044	11.5
95.04938	1.4
95.08601	16.9
97.02895	10.7
98.97556	1.3
99.04442	2.9
105.03387	1.4
105.07025	3.3
107.08582	15.0
109.02849	4.2
109.06519	1.9
109.10158	1.7
119.04951	15.0
121.06410	0.9
127.03922	13.8
133.10194	1.0
135.11705	7.9
137.13264	26.3
145.04962	24.8
147.04414	79.4
157.69743	1.0
163.06021	15.7
165.05513	5.2
167.07016	1.2
209.71719	1.0
291.08615	2.5
309.09573	6.4
312.05829	1.4
325.11166	3.2
401.65997	1.1
496.13272	2.2
496.22311	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	496.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07267	0.2
53.03944	1.0
55.01842	0.2
55.05514	1.3
56.96576	0.4
63.35584	0.2
65.03930	1.6
67.05501	1.0
68.26857	0.2
69.03419	0.4
69.07081	1.1
69.57584	1.4
70.10439	0.2
70.27872	0.2
79.05493	2.6
81.03428	1.0
81.07059	2.7
83.04961	0.3
83.08607	0.3
84.89823	0.2
85.02901	1.0
91.04907	0.4
91.05483	11.5
93.07045	14.8
94.07375	0.3
95.04964	0.8
95.08609	1.3
97.02881	0.3
97.06538	0.7
98.17402	0.2
98.97594	0.5
103.05491	0.4
105.03403	0.7
105.04543	0.5
105.07034	2.0
107.04944	0.9
107.08597	17.4
109.02888	0.5
109.06526	0.8
109.10149	1.0
119.04943	19.7
119.08562	0.6
121.02875	0.6
121.10173	0.4
127.03925	0.6
131.04932	1.6
133.10135	0.9
133.30667	0.2
135.04453	0.2
135.11696	11.9
137.13245	0.5
147.04411	100.0
148.04742	0.7
151.11198	0.4
156.13823	0.3
163.11191	0.2
165.05539	1.3
165.06668	0.2
165.56303	0.2
187.14667	0.2
202.24545	0.2
219.01791	0.3
247.52525	0.2
253.15977	0.5
281.15527	0.3
281.91760	0.2
283.08252	0.2
291.05673	0.3
291.08484	1.0
293.10089	0.2
309.09521	1.2
326.22833	0.3
425.19467	0.2
496.22025	0.3
496.38965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22839	0.3
53.03932	1.1
55.05496	1.2
63.36087	0.3
65.03928	0.8
67.05487	1.4
67.30920	0.3
69.03421	1.5
69.07052	0.9
71.04985	0.6
71.56738	0.6
79.05494	3.0
81.03425	3.3
81.07054	4.1
83.04980	0.4
83.08624	0.4
85.02913	3.4
85.08039	0.3
91.05486	10.0
93.07044	14.3
95.04984	1.3
95.08620	2.0
97.02883	1.3
97.06516	0.6
99.04459	0.5
103.05463	0.3
105.03388	1.0
105.04524	0.4
105.07036	3.0
107.04947	0.9
107.08596	18.4
109.02885	1.4
109.06506	1.0
109.10152	1.0
110.06815	0.4
119.04946	18.0
119.08562	1.0
123.04497	0.3
127.03918	1.6
128.08151	0.3
131.04915	2.2
131.08569	0.3
133.10138	1.1
135.11694	12.2
137.05975	0.5
137.13248	1.2
145.04956	1.1
145.10121	0.4
147.04411	100.0
148.04796	0.6
159.11751	0.3
161.09659	0.8
163.06055	0.7
163.11209	0.6
165.05487	5.4
189.09123	0.4
195.32417	0.4
197.09834	0.3
219.13795	0.3
254.87865	0.3
286.04727	0.4
291.08612	3.5
309.09650	6.6
309.13065	0.4
351.14362	0.7
396.69135	0.3
451.15146	0.4
459.47369	0.3
478.29218	0.4
496.13593	0.6
496.22433	1.6
496.27460	0.5
502.18393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05508	1.8
56.96567	0.3
57.42975	0.2
65.03938	1.0
67.05505	1.8
69.03419	0.7
69.07056	1.0
69.19630	1.3
69.20052	0.7
70.03749	0.3
77.03925	0.3
79.05499	2.9
81.03423	1.1
81.07057	4.1
83.04997	0.4
83.08613	0.5
84.44585	0.2
84.96047	0.3
85.02908	0.7
88.57118	0.2
91.04898	0.5
91.05479	11.0
93.07043	13.5
95.04958	1.2
95.08598	1.5
97.02905	0.5
97.06532	1.0
98.21535	0.4
98.97562	0.4
103.05472	0.4
105.03390	1.1
105.04503	0.3
105.07040	2.4
107.04965	0.6
107.08595	15.6
109.02878	0.3
109.06517	0.6
109.10152	0.9
111.04453	0.2
118.07765	0.2
119.04942	19.5
119.08559	0.5
121.02921	1.1
121.03671	0.2
121.06481	0.3
121.10144	0.3
122.03207	0.5
123.08112	0.3
125.09567	0.2
127.03901	0.6
131.04926	2.9
133.10130	1.1
135.11696	10.7
137.13249	1.0
139.03903	0.2
147.04410	100.0
148.04752	0.8
149.06030	0.3
151.07558	0.3
151.11191	1.0
160.05232	0.2
165.05501	1.7
177.05435	0.3
196.72871	0.2
240.59802	0.2
253.15927	0.4
281.15292	0.4
291.08484	0.5
293.10217	0.5
309.09671	1.2
316.54654	0.2
478.28009	0.3
496.24512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05501	1.7
57.03425	0.6
58.94944	0.4
59.04999	0.4
63.80447	0.4
65.03926	0.8
67.05494	1.7
69.03426	2.3
69.07050	1.3
69.52814	2.7
71.04985	0.7
73.02917	0.4
79.05496	3.5
81.03431	3.5
81.07063	18.5
85.02906	9.9
91.03953	0.4
91.04897	0.5
91.05479	9.8
93.07047	15.0
94.58722	0.4
95.04974	0.6
95.08605	3.3
97.02886	2.6
97.06538	0.5
98.97609	0.6
99.04456	0.9
105.03395	0.7
105.07024	2.8
107.04949	0.7
107.08601	17.4
109.02874	1.9
109.06502	1.0
109.10180	0.6
119.04952	15.9
119.08600	1.0
121.10126	0.7
127.03899	3.1
131.04921	1.2
133.06483	0.5
133.10143	1.3
135.08090	0.5
135.11702	13.7
137.13272	5.4
143.08598	0.4
145.04971	4.0
147.04417	100.0
148.04703	0.8
161.09654	0.7
163.06075	2.2
163.11235	0.8
165.05492	5.6
179.44969	0.4
228.33965	0.4
249.28845	0.4
291.08670	3.4
300.13791	0.5
309.09683	7.1
325.11002	0.5
351.14401	1.3
478.28677	0.8
496.21585	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	496.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05499	1.0
57.03446	0.4
59.05005	0.3
65.03938	0.9
67.05490	1.2
69.03416	1.3
69.07056	0.9
71.05000	2.0
71.56970	0.4
73.06552	0.5
79.05495	2.0
81.03419	4.0
81.07059	6.5
83.04981	0.7
83.99366	0.3
85.02909	2.5
85.06516	0.4
91.04972	0.6
91.05489	6.4
93.07050	4.1
93.27423	0.3
95.04982	0.5
95.08591	0.9
97.02888	1.0
97.06541	0.7
97.10142	0.4
103.05484	2.9
105.07036	1.6
106.07413	0.4
107.04969	0.6
107.08582	3.0
109.02882	1.4
109.06525	0.4
109.10165	0.8
111.08103	0.6
119.04948	13.5
119.08598	0.7
127.03909	1.1
131.04933	12.8
131.08530	0.4
133.10129	1.0
135.11702	6.1
145.04893	0.4
145.10133	0.4
147.04416	100.0
149.05980	1.6
151.78911	0.3
153.12755	12.9
161.09578	0.4
165.05479	5.5
183.11742	0.6
194.12605	0.5
206.08916	0.4
207.41299	0.4
211.13365	0.4
275.09061	0.7
291.08588	2.4
293.10114	2.3
309.09708	9.3
461.20258	0.3
496.25916	0.7
496.30496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97175	0.7
51.16520	0.7
53.03929	0.9
55.01864	0.9
55.05501	2.3
56.96572	0.8
65.03937	1.1
67.05506	1.7
69.03424	1.5
69.07061	2.5
69.39697	3.8
69.40104	1.6
71.04996	4.5
73.06537	0.9
75.92113	0.7
79.05499	3.3
80.05792	0.9
81.03430	2.3
81.07064	9.7
82.07397	0.9
83.08642	0.8
85.02903	2.7
91.05496	7.8
93.07055	6.5
95.05003	1.6
95.08606	3.2
97.02888	1.5
98.21581	1.3
103.05466	2.4
105.07037	1.7
107.04961	2.7
107.08604	4.9
109.10175	2.4
118.04165	1.3
119.04960	12.9
119.08571	0.9
121.10135	1.1
122.10424	0.9
123.04433	1.3
123.11711	0.9
127.03940	1.3
130.04187	1.4
131.04918	3.1
133.06076	0.8
133.10136	1.0
135.11703	10.2
143.08514	0.9
145.10187	1.1
146.03687	1.1
147.04419	100.0
148.04953	1.0
153.01781	4.1
153.12747	37.4
154.02242	0.8
163.03833	1.0
165.05510	2.7
165.09128	0.7
177.05426	1.2
178.06152	2.3
191.07030	2.4
192.07443	2.1
203.03470	2.5
203.22743	0.8
204.03802	1.6
216.04118	1.2
229.05014	3.0
230.05309	1.8
241.04990	1.0
242.05655	3.9
243.06126	3.1
253.05038	1.0
254.05360	1.1
257.04480	19.7
258.04874	28.1
259.05655	8.0
267.09195	1.3
270.05026	1.3
271.05731	1.5
272.06415	1.6
285.03915	2.5
286.04587	12.4
287.05194	18.4
288.05847	12.2
289.18076	1.3
297.03772	0.8
298.04416	2.0
300.05933	1.4
309.09555	3.6
328.05203	1.3
350.63138	0.9
386.88214	0.8
417.09387	1.0
448.07825	1.2
466.12250	2.2
478.12216	11.9
478.28549	1.3
482.81500	0.8
496.13254	85.6
496.21338	2.7
497.13525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
54.53219	0.8
55.05514	22.1
57.03441	16.3
57.07061	1.2
59.04995	1.5
59.96844	0.7
64.76020	1.0
65.03938	3.1
66.41119	0.8
67.05508	34.5
68.72974	0.8
69.03429	6.0
69.07072	9.0
69.28735	6.5
71.01350	0.9
71.04998	8.4
77.03929	0.9
79.05019	1.2
79.05496	43.9
81.03422	86.8
81.07061	40.5
83.04984	18.8
83.08622	31.9
85.02908	44.8
85.06550	4.0
87.04464	1.3
91.05485	55.0
93.07047	28.5
95.04973	37.2
95.08611	14.3
97.02900	3.7
97.06526	5.2
97.10179	6.9
99.08110	1.2
103.05458	1.0
105.04536	2.0
105.07037	34.9
107.04960	10.3
107.08601	12.6
109.06517	6.5
109.10143	4.5
111.04456	4.6
111.08082	15.4
113.06009	3.5
115.05393	1.9
116.06239	0.9
117.07027	3.8
118.96559	1.0
119.04994	1.4
119.08582	30.1
121.06547	2.6
121.10146	14.8
123.08061	4.3
123.11698	2.8
125.06032	1.0
125.09615	3.8
127.07584	1.4
128.06194	1.3
129.07008	16.9
131.08578	16.4
133.06529	4.8
133.10143	16.9
135.08070	2.0
135.11670	1.4
137.09630	2.6
142.07726	4.5
143.08585	1.0
145.10127	2.7
146.09644	0.7
147.08049	4.1
147.11700	21.5
147.12816	1.8
149.09641	9.3
149.13248	0.9
153.09229	0.9
157.08812	1.0
157.10129	20.7
163.11104	1.2
165.12738	4.8
175.11179	20.1
175.12552	1.4
189.11319	1.9
193.12256	78.1
211.13298	97.0
227.12871	1.1
230.71629	0.9
231.13905	1.0
249.14821	1.0
251.72731	0.9
257.04529	1.0
267.15948	17.1
285.16992	6.3
307.18860	0.9
349.21378	1.0
359.22076	1.6
367.22589	2.0
369.10541	0.8
385.23737	2.6
403.24759	1.1
433.26285	1.6
451.26602	1.2
459.27350	8.6
470.96259	1.0
477.28549	12.7
495.29602	100.0
496.29810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1289
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
51.79512	0.6
53.03903	1.0
55.05443	1.9
56.96502	0.7
57.03374	1.2
62.82779	0.5
63.88681	0.5
65.03891	0.6
67.05418	3.9
67.48436	0.5
69.03341	1.8
69.06973	1.8
69.07311	0.5
70.06647	2.4
71.04931	1.0
74.42641	0.5
79.05397	4.4
81.03328	2.5
81.06963	5.5
83.04908	0.6
83.08560	1.3
85.02822	1.8
85.06490	0.7
91.05482	4.8
93.07045	5.7
93.31189	0.5
95.04861	2.1
95.05398	0.5
95.08498	3.1
97.02838	1.0
97.06483	0.9
97.10096	1.1
98.97520	1.3
103.05370	1.7
105.03284	1.9
105.07029	4.1
107.04958	3.8
107.08569	3.4
109.02797	1.1
109.06522	3.6
109.10074	1.6
111.04387	0.9
113.77856	0.6
117.06945	1.2
119.04838	1.7
119.08578	2.7
121.02773	1.2
121.06513	2.6
121.10136	4.3
122.09594	0.6
123.04316	2.2
123.07989	0.7
123.11646	0.8
125.09554	1.0
127.03805	2.2
129.06917	1.0
131.04951	3.4
131.08466	1.8
132.05626	0.8
133.06424	1.2
133.10043	2.1
135.04369	1.1
135.07922	1.6
137.05923	1.2
137.13113	1.0
139.03830	0.8
139.11075	1.2
140.04573	1.0
145.02766	0.9
145.06377	0.6
145.10031	0.8
147.04414	9.3
147.07980	0.6
147.11588	1.6
148.04604	0.9
149.05927	0.9
149.09508	1.5
151.03874	0.8
153.01833	22.9
153.05377	0.6
157.10008	0.9
159.04401	0.8
159.11589	0.6
161.05916	1.0
161.09503	1.7
163.03915	4.4
163.11098	1.1
165.05434	0.6
165.06839	0.7
165.08975	0.7
167.07065	6.2
167.10583	1.5
173.09592	0.7
173.13126	0.7
175.11099	0.7
177.05373	0.7
179.03203	0.6
179.06917	0.7
185.09654	0.5
191.14230	1.5
192.03989	0.6
193.06711	0.6
193.08505	2.2
193.12077	0.9
194.08823	1.7
197.01144	0.5
203.03233	0.7
205.08398	0.6
213.05296	1.2
219.13828	3.2
221.05772	0.7
235.07397	1.1
237.05388	0.9
239.02370	0.6
251.06850	0.7
257.04276	1.7
258.05197	3.9
259.15295	2.0
265.04935	2.8
269.04309	0.8
271.05844	1.9
279.06448	0.8
283.05740	0.7
286.04709	3.3
287.05386	1.7
293.04422	1.3
293.08029	0.6
293.17349	1.5
295.05881	1.8
297.03879	2.2
297.11044	0.6
298.04517	0.8
299.05484	2.6
300.06192	1.8
301.03345	1.4
310.04575	0.6
311.05490	13.9
317.08051	0.9
323.05560	2.7
325.07092	1.2
335.09076	3.6
341.07977	0.8
341.12317	0.6
343.09570	1.1
345.07520	2.2
347.09045	1.9
348.06223	0.7
358.08118	0.8
359.09088	15.3
361.06903	2.4
363.08618	21.3
363.13132	1.3
367.22586	0.9
369.07578	1.0
371.09140	2.5
372.10052	1.1
373.07208	2.7
374.07590	0.9
375.08566	2.4
379.07892	0.6
385.06750	1.2
385.23691	1.2
387.08652	12.5
388.09442	8.5
389.06161	1.4
391.08121	12.0
397.06708	0.8
398.07767	0.9
399.08685	0.9
401.06470	2.3
402.07367	2.0
403.08163	3.7
404.08963	0.9
407.07477	2.1
415.07928	3.9
416.08899	5.7
417.09698	1.8
419.07678	7.9
427.07947	1.9
429.05875	0.9
430.06882	0.6
431.07602	7.6
432.08264	4.0
433.09204	6.3
434.05679	0.8
435.07199	2.6
443.07816	1.6
444.08340	7.0
445.09082	3.7
447.07098	36.0
449.03067	0.7
449.08768	2.2
450.09741	3.2
459.27689	1.2
461.08603	8.6
462.09467	12.7
462.15918	0.7
465.11853	35.1
477.11807	87.6
477.28290	1.8
478.11859	0.9
494.27954	0.6
495.12857	100.0
495.21359	6.7
496.13022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01864	4.5
55.02101	1.4
55.05512	19.0
57.03437	14.8
59.04998	1.8
61.68803	1.1
65.03948	2.2
67.05508	30.3
69.03439	7.4
69.07076	10.0
69.16601	5.5
69.17026	6.9
71.04998	9.7
79.05496	38.9
81.03422	78.6
81.07058	42.2
82.03810	1.3
83.04983	15.6
83.08620	29.2
85.02907	39.4
85.06532	4.0
90.35209	1.2
91.05486	41.6
93.07051	24.8
95.04969	38.6
95.08601	15.2
97.02907	3.9
97.06513	5.9
97.10165	8.3
99.04512	1.4
101.06049	1.3
105.03423	2.4
105.04578	1.4
105.07037	31.1
107.04954	9.4
107.08600	11.5
109.06522	8.1
109.10167	5.0
110.44135	1.2
111.04437	3.5
111.08076	14.4
113.06019	2.8
115.05518	2.7
117.07034	4.1
119.04964	3.5
119.08588	29.0
121.02884	2.7
121.06529	3.1
121.10154	12.3
123.08081	3.1
123.11755	2.4
125.09639	4.2
127.03900	1.8
128.06212	1.8
129.07007	13.0
131.04985	2.4
131.08585	16.9
133.06503	5.8
133.10139	14.4
135.11754	2.2
137.09641	3.0
137.13264	1.4
139.03973	1.5
142.07794	4.2
145.10170	3.8
147.04417	12.1
147.08099	3.4
147.11696	21.4
149.09633	9.9
149.93161	1.2
153.12733	1.4
154.92566	1.3
157.10139	16.1
163.03928	1.7
163.11200	1.7
165.12816	5.2
171.11736	1.3
173.09621	1.9
175.11200	19.9
189.11244	1.3
191.10597	1.3
193.12250	63.7
210.15300	1.2
211.13297	91.5
227.12799	1.6
267.15921	15.7
285.16895	7.0
359.22375	2.0
367.22894	2.9
385.23996	3.7
403.24652	2.1
451.27258	1.4
459.27298	7.7
477.28473	12.5
495.18600	9.4
495.29691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42696	1.0
53.03944	4.1
55.01859	3.6
55.05269	1.5
55.05516	20.8
57.03439	11.9
59.05018	1.1
60.53341	1.2
65.03934	1.8
67.05508	27.9
67.52680	1.0
69.03431	6.6
69.07071	7.4
71.04993	7.4
71.05345	1.6
71.93469	0.9
75.92230	0.9
79.05495	32.1
81.03421	75.9
81.07059	35.5
83.04984	13.4
83.08620	29.5
85.02908	39.3
85.06542	2.5
91.05484	40.6
93.07049	22.0
95.04976	33.4
95.08610	12.6
97.02889	3.9
97.06503	4.7
97.10165	6.0
98.16732	0.9
99.08124	1.1
100.26826	1.0
105.03399	2.4
105.07036	28.7
107.04945	8.1
107.08601	9.3
109.06513	6.2
109.10143	4.5
111.04451	4.0
111.08075	11.2
113.06013	3.7
115.05452	1.6
117.07023	2.3
119.08576	21.5
121.06503	2.8
121.10134	10.8
123.08081	2.9
123.11721	1.7
125.09630	4.0
127.07551	1.3
129.07004	13.2
131.08571	14.7
133.06509	4.1
133.10127	10.5
135.07993	1.0
137.06012	1.0
137.09642	1.8
141.07074	1.2
142.07787	4.5
145.10138	1.5
147.08075	2.6
147.11693	18.4
149.09639	7.5
157.10144	14.3
165.12761	4.4
171.08142	1.2
175.11198	18.7
193.10419	2.1
193.12248	67.0
211.13295	90.1
249.14879	1.1
267.15930	12.0
285.17102	6.0
359.22202	1.8
367.22690	2.6
385.24005	3.0
403.24713	1.5
451.27173	1.3
459.27551	6.8
477.28546	9.3
495.29568	100.0
496.29886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17371	0.2
53.03916	0.4
55.05485	1.0
56.96544	0.4
57.03421	0.4
61.02908	0.3
67.01828	0.3
67.05508	1.8
67.33491	0.2
69.03405	0.4
69.07047	0.6
69.58119	0.2
71.04964	0.3
71.54744	0.3
73.02905	0.3
79.05486	2.0
81.03420	1.7
81.07054	2.5
83.04970	0.6
83.08589	0.7
85.02877	0.9
85.06534	0.4
91.03905	0.2
91.05479	2.7
93.07032	2.2
95.04979	1.4
95.08613	1.2
97.06508	0.6
97.10139	0.4
98.97538	0.3
101.12305	0.2
103.05438	1.0
105.03361	0.5
105.07037	2.6
107.04948	1.2
107.08618	1.2
109.06497	0.8
109.10196	0.5
111.04430	0.3
111.08073	0.4
115.05473	0.5
117.06993	0.6
119.04911	1.0
119.08562	1.2
121.06526	1.1
121.10165	1.1
123.04383	1.1
124.04744	0.3
125.09605	0.5
127.03861	0.2
129.06984	0.3
131.04921	0.9
131.08557	0.8
133.02846	0.4
133.06445	0.7
133.10092	0.8
135.04402	0.5
135.08046	0.5
135.11684	0.5
136.05205	0.4
140.04669	0.6
142.07867	0.2
143.08521	0.3
145.10130	0.4
147.04417	1.7
147.08040	0.4
147.11673	0.8
148.05066	0.3
149.05966	0.6
149.09589	0.3
149.13222	0.5
151.03888	0.6
151.11205	0.3
153.01839	3.4
153.05475	2.6
157.10060	0.5
159.11671	0.5
161.05994	1.4
161.09554	0.4
163.03882	0.6
163.07506	0.7
163.11163	0.5
165.05525	0.6
166.06247	0.8
167.07080	0.6
168.07805	2.5
173.05957	0.3
175.11166	0.4
177.05466	0.6
178.06230	0.6
179.03441	0.3
179.07019	0.4
180.07811	0.9
187.07515	0.3
189.08965	0.3
191.07043	0.7
193.08597	0.6
193.12242	0.9
194.08940	0.4
195.13774	0.2
196.07306	1.0
203.03395	7.9
205.08629	1.9
209.09695	0.2
209.11765	0.2
211.13254	0.8
213.05501	0.8
229.02899	0.4
229.04988	5.9
233.04510	0.3
241.05013	0.6
242.05721	2.9
253.04913	0.6
257.04453	95.1
258.05188	3.6
267.15857	0.6
269.04517	0.6
270.05331	0.9
271.06027	0.7
283.06015	0.2
285.03961	4.4
285.10178	0.5
286.04718	8.2
287.05499	10.0
290.00839	0.2
295.06070	0.3
297.03949	5.7
299.05435	0.7
311.05643	0.4
327.05057	0.4
329.21091	0.6
345.07489	0.3
358.13785	0.5
359.09235	0.4
367.22757	0.3
375.08633	0.3
385.23416	0.3
387.08768	0.3
388.09338	0.3
403.08286	0.5
403.24722	0.5
405.09821	0.6
419.07611	0.5
421.09137	0.7
421.25763	0.6
433.09296	1.0
447.07312	0.3
449.08618	0.7
459.27945	0.3
462.09479	0.3
463.10165	0.4
465.11911	4.2
477.11755	2.0
477.28458	0.9
495.12897	100.0
495.25314	2.4
496.13242	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.129
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.03933	0.3
54.38517	0.2
55.05476	0.2
57.03421	0.3
61.02910	0.2
67.01849	0.4
67.05466	0.6
68.99781	0.3
69.03391	0.2
69.07045	0.4
70.58572	0.5
77.03906	0.2
78.04693	0.2
79.05481	1.1
81.03387	0.7
81.07056	1.0
83.04951	0.3
83.08587	0.2
85.02870	0.5
89.03928	0.3
90.04691	0.2
91.05479	1.5
93.07048	1.1
95.04980	0.9
95.08582	0.4
97.02886	0.2
97.06508	0.3
99.04392	0.2
102.04660	0.5
103.05473	3.0
104.06244	0.3
105.03362	0.3
105.07039	1.2
107.04939	0.9
107.08568	0.6
109.02828	0.2
109.06475	0.2
109.10123	0.3
111.04434	0.2
115.05429	0.4
117.03373	0.4
117.06980	0.5
118.04156	1.9
119.04905	0.7
119.08565	0.4
121.02871	0.2
121.06489	1.5
121.10137	0.3
123.04397	0.8
125.02327	0.4
127.03865	0.2
130.04152	1.4
131.04933	3.9
131.08566	0.3
132.05716	2.5
133.02821	0.4
133.06488	0.5
133.10083	0.3
134.03633	0.4
135.04396	0.7
137.02361	0.4
139.03896	0.4
140.04695	2.2
145.02859	0.2
145.06490	0.3
145.10075	0.3
146.03633	3.0
147.04453	1.1
148.05202	0.9
149.05952	0.9
149.09659	0.2
151.03886	0.5
151.07469	0.2
153.01828	5.9
153.05432	0.6
154.06213	0.4
155.07018	0.3
155.86472	0.2
159.03145	0.2
159.04407	0.6
160.05208	1.4
160.12526	0.2
161.02313	0.3
161.05977	1.1
162.03143	1.1
163.03908	0.7
163.07489	0.5
163.11197	0.3
165.05482	0.3
166.06329	0.8
167.07045	1.6
173.06001	0.8
175.11223	0.2
176.04701	2.1
177.05487	2.5
178.06255	4.1
180.07771	0.6
181.08617	0.3
182.09341	0.2
191.07040	4.2
192.07816	2.0
193.04984	0.3
193.12274	0.3
201.05443	0.2
203.03398	5.0
205.08640	0.2
208.07224	0.2
211.13338	0.2
213.05490	0.7
216.04167	0.3
229.04968	5.8
241.04938	1.3
242.05740	10.4
253.04948	2.0
257.04453	52.0
258.05237	14.8
259.05942	0.4
267.15891	0.2
269.04456	2.3
270.05261	1.9
271.06049	1.8
272.06860	0.2
283.06030	0.6
285.03934	7.6
285.10281	0.4
286.04715	29.4
287.05499	19.8
288.05933	0.2
295.06012	0.3
297.03928	4.0
298.04437	0.2
299.05582	1.9
300.06302	1.2
301.07166	0.5
311.05798	0.2
313.07047	0.2
315.04999	0.4
323.05435	0.4
327.04987	2.6
341.06564	1.9
343.09848	0.3
359.09061	0.4
363.08392	0.3
373.06979	0.3
375.08755	0.2
387.08682	0.5
388.09375	0.5
389.06454	0.2
391.08130	0.4
399.08667	0.2
401.06631	0.2
402.07367	0.3
403.08096	0.4
416.08951	0.5
417.10007	0.3
419.07828	0.9
431.07944	0.3
433.09146	0.4
444.08771	0.3
445.09244	0.6
447.07159	1.5
449.08337	0.4
461.08554	0.7
462.09305	1.0
465.11911	3.3
477.11816	12.6
495.12869	100.0
496.13220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01879	2.9
55.05508	1.6
57.03436	1.1
61.02920	0.8
62.77504	0.4
63.97637	0.4
65.03942	0.5
67.05514	3.4
67.05817	0.6
69.03416	2.4
69.07062	1.3
70.11298	1.2
71.04974	0.8
71.08642	0.6
73.02913	1.0
77.03923	0.7
78.67974	0.4
79.05493	7.3
80.05841	0.6
81.03426	6.0
81.07060	3.4
82.07407	0.5
83.04974	0.6
83.08617	1.9
84.08139	0.6
85.02911	7.1
87.04439	0.4
88.18750	0.5
90.04694	0.5
91.05490	5.5
93.07047	3.0
94.07381	0.5
95.04996	2.3
95.08604	2.4
96.08952	1.1
97.02897	2.6
97.06547	0.9
97.10177	0.5
99.04490	0.5
99.08089	0.8
103.05475	6.0
105.03395	0.7
105.07034	56.6
106.07420	0.5
107.04955	2.5
107.08585	1.7
108.05257	0.5
108.08902	0.7
109.02872	0.9
109.06520	0.9
109.10150	1.1
110.10452	0.5
111.04425	0.6
111.08100	0.8
115.05460	11.5
117.06998	1.1
118.04176	4.0
119.04921	1.0
119.08575	1.2
120.08879	0.6
121.06483	0.8
121.10132	1.1
127.03930	1.6
127.07551	0.6
131.04922	2.1
131.08594	1.2
132.05754	0.5
132.08920	0.7
133.06499	58.1
133.10114	0.9
134.06856	0.5
134.24898	0.5
135.11679	1.3
136.11960	0.8
137.05885	0.5
139.03952	0.7
143.04916	1.2
143.06044	4.3
145.04953	1.3
145.10126	1.4
146.10492	0.6
147.04413	3.8
147.11690	0.9
148.04774	0.6
151.03903	1.2
152.04271	0.5
153.12781	0.5
161.05984	100.0
162.06258	0.5
163.11186	1.4
164.11551	1.5
170.48257	0.5
180.08681	1.6
193.08611	74.6
193.12320	1.8
194.08922	0.8
194.12584	1.0
201.09117	0.5
211.13342	1.7
212.13620	1.4
227.12740	3.1
228.13141	2.1
257.04312	0.6
267.15857	1.0
268.16241	1.8
279.87094	0.5
283.15393	0.9
455.15207	0.5
476.27335	3.1
494.28595	5.9
495.12711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01860	0.9
55.05505	5.5
55.59071	0.8
56.05037	4.6
56.96561	1.0
57.00316	0.9
57.03426	2.9
57.07068	1.0
60.04529	96.2
60.28943	0.8
61.02934	4.6
65.03931	1.4
67.05505	10.3
69.03435	13.2
69.07070	8.6
69.46062	6.5
70.06590	2.1
71.04978	3.0
72.04502	3.8
73.02926	2.2
74.06065	3.6
74.50504	0.9
79.05498	13.8
80.05003	2.3
81.03420	6.2
81.07057	14.5
82.06590	1.3
83.04971	2.5
83.08640	2.3
84.04517	1.1
84.09635	1.0
85.02910	48.0
86.06038	2.4
86.09716	1.2
87.04494	1.6
90.05552	1.6
91.05483	9.7
93.06483	1.4
93.07050	23.1
94.06579	1.9
95.04964	3.0
95.08612	10.8
96.08131	1.4
97.02898	13.3
97.06514	1.5
97.10187	1.2
98.06072	1.3
98.21513	1.2
98.95618	0.8
98.97578	3.2
99.04462	4.0
102.05540	2.0
103.05424	1.4
104.07102	2.6
105.03385	1.3
105.07025	7.1
107.04976	4.5
107.08593	16.5
109.02874	7.7
109.06522	1.5
109.10133	4.9
110.89542	0.9
111.04430	1.0
111.08054	1.0
112.07624	1.3
115.03901	1.0
116.07092	1.1
117.07033	1.7
119.04962	3.0
119.08598	4.2
119.75574	0.9
121.02846	0.9
121.06493	1.4
121.10118	6.2
122.09600	0.8
123.08109	1.2
123.11723	1.5
124.03973	1.2
126.05466	1.1
127.03938	11.3
131.04898	2.6
131.08589	2.8
133.10132	4.2
135.08118	1.2
135.11699	25.7
137.05971	1.3
145.02876	1.7
145.04956	12.4
145.10139	2.4
147.04416	12.3
147.11647	2.2
148.04782	2.4
149.05983	1.1
149.09639	1.3
149.13280	2.0
151.11145	1.1
159.11739	1.1
161.13109	0.9
163.06036	3.4
163.11139	2.5
167.10725	2.5
171.08305	0.9
175.14874	1.1
177.05473	4.3
177.12718	1.5
181.12251	1.2
184.07446	0.9
188.99007	0.9
191.10680	1.5
209.11681	1.3
211.17154	1.0
218.99870	1.0
224.11429	2.0
227.12817	1.1
254.24896	1.0
257.04337	1.2
260.23825	2.0
278.24753	8.1
285.03680	1.0
286.12375	1.0
296.25839	11.1
297.17017	1.5
300.12219	1.6
301.16461	1.5
314.26892	17.7
317.13986	1.0
332.27951	100.0
333.28217	1.1
374.28867	2.0
399.46881	1.1
440.29727	1.5
458.31381	1.6
460.96725	1.0
476.32263	3.2
494.20596	4.6
494.33255	74.0
495.12814	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	493.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18344	5.6
55.05515	12.8
56.62490	5.6
56.77708	5.6
57.03435	11.6
57.07083	48.6
67.05502	26.2
69.07057	15.4
71.08630	50.5
71.54492	7.2
79.05498	9.8
81.07069	32.5
83.08618	24.0
85.02890	7.1
85.10179	22.5
91.05480	6.5
93.07041	12.5
95.08089	5.6
95.08621	43.4
97.10168	9.7
105.07012	7.5
109.10136	21.5
121.06633	5.6
123.11710	7.2
133.10141	8.3
135.11707	6.5
135.52789	5.7
184.95395	5.4
239.23700	55.0
313.27362	100.0
331.28366	8.5
347.17252	33.0
405.33804	7.2
408.24551	5.9
493.27798	10.6
493.35098	33.3
514.01013	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	493.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88653	0.5
51.89791	0.4
53.03936	1.4
55.01871	1.0
55.05515	3.3
56.96561	1.0
57.03423	1.1
57.07055	0.5
61.02917	0.6
64.77374	0.5
65.03931	0.6
67.05505	6.8
67.71745	0.5
68.11037	0.5
69.03415	2.1
69.07077	3.0
69.22803	5.0
71.04970	1.1
73.02902	0.8
77.03877	0.5
79.05497	5.6
81.03418	5.3
81.07062	8.9
83.04981	2.4
83.08615	2.6
85.02901	2.1
85.06551	0.8
91.05478	8.2
93.07040	5.0
95.04968	3.8
95.08608	6.6
97.02897	1.7
97.06535	1.2
97.10170	1.5
98.21507	1.3
98.97562	1.4
99.04436	0.7
105.01872	0.5
105.03386	5.9
105.07034	3.1
107.04958	6.1
107.08602	3.2
109.02908	2.4
109.06526	1.2
109.10155	7.2
111.04451	1.2
111.08079	0.8
111.11726	0.7
117.07003	1.0
119.04904	1.2
119.08579	4.5
121.02861	0.7
121.06493	1.2
121.10102	2.9
122.07272	1.2
123.04398	1.7
123.11731	0.8
125.09694	0.6
127.03920	1.8
129.07013	1.1
131.04890	1.1
131.08575	1.6
133.06456	0.5
133.10130	1.2
135.04398	0.8
135.08087	1.2
135.11690	2.0
137.09628	9.2
137.13158	0.7
139.03885	2.8
139.11180	1.6
140.38875	0.6
145.02800	1.0
145.06505	0.6
145.10089	1.5
147.04370	2.6
147.11636	1.4
149.09647	1.1
149.13287	1.0
151.03915	7.7
153.05412	0.6
153.08972	0.6
157.08485	0.5
157.10118	1.2
157.12271	1.2
159.11699	0.7
163.03899	1.2
163.07487	0.5
163.11220	1.7
165.09116	100.0
166.09474	0.6
175.07573	0.9
175.11157	1.0
177.05400	0.9
177.16423	0.6
179.10693	1.0
181.12227	0.7
187.07581	1.0
191.10703	1.0
193.12251	2.3
201.09102	0.5
205.12244	2.3
209.11760	0.8
209.15228	0.5
211.13319	2.9
215.10683	0.6
219.10156	1.3
225.09245	0.5
227.12807	2.2
245.08116	5.1
267.09103	1.5
267.15912	1.6
271.24609	0.5
283.15460	2.3
285.10117	1.8
298.32318	0.5
301.16504	0.9
323.25757	1.8
346.77936	0.5
355.22427	0.6
375.11301	0.9
401.23209	0.7
419.13742	1.4
457.33231	0.7
475.26785	2.9
475.34143	1.5
493.21765	1.5
493.28061	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	493.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64428	0.9
53.03688	1.1
53.03942	6.6
53.30168	1.1
55.01875	12.9
55.05270	1.6
55.05515	26.1
56.96570	1.7
57.03437	11.0
57.07072	1.5
59.04995	2.2
65.03960	1.7
66.32288	1.2
67.05507	33.1
69.03434	5.6
69.07066	11.0
71.01344	1.3
71.04997	6.7
77.03922	1.1
79.05496	38.2
81.03420	57.4
81.07062	38.7
81.64111	1.0
83.01346	5.7
83.04983	21.1
83.08620	22.6
83.34969	1.0
85.02428	1.9
85.02908	24.0
85.06532	2.3
89.90227	0.9
91.05485	36.3
93.07051	37.0
95.04972	28.3
95.08605	16.8
97.02903	6.3
97.06540	9.9
97.10172	5.2
98.21516	2.4
99.04462	1.7
99.08112	1.4
103.05504	1.7
105.03400	1.2
105.04503	1.7
105.07030	23.3
106.06787	1.0
107.04954	14.0
107.08601	21.2
109.02880	2.5
109.06507	10.1
109.10158	7.1
111.04467	7.7
111.08083	9.3
113.06004	2.1
115.05463	2.8
117.07019	10.0
119.04942	4.7
119.08590	20.9
121.06487	7.1
121.10148	15.4
123.04448	4.8
123.08089	7.8
123.11717	1.8
125.09648	2.9
127.03916	1.2
128.06273	2.3
129.07019	8.3
130.07828	1.6
131.04951	1.5
131.08562	9.8
133.06479	4.0
133.10164	7.9
135.08096	2.9
135.11702	13.0
137.09604	2.1
139.03912	3.4
142.07834	3.0
143.08583	2.0
145.06473	1.9
145.10123	18.0
147.04420	10.5
147.08060	5.8
147.11694	10.2
149.06009	2.4
149.09616	5.4
151.03918	4.1
153.05432	2.5
153.12790	5.7
157.10158	9.8
159.11679	1.7
161.05946	1.3
161.09657	1.2
161.13350	1.1
163.03984	1.6
163.11185	23.5
165.05455	2.0
165.12782	2.1
173.09628	4.4
175.11188	9.1
181.12263	6.6
189.09320	1.5
189.11223	1.5
191.07137	1.0
191.10735	4.5
193.12250	35.2
205.08635	2.5
209.11754	7.9
211.13297	41.3
219.10139	3.8
227.12788	8.0
245.08214	2.5
265.14325	1.7
267.09030	1.7
267.15930	6.4
283.15436	7.6
285.10013	1.6
317.06729	1.3
355.22751	1.3
357.13647	1.3
383.22275	4.2
401.23233	2.1
457.25861	2.5
475.26767	9.5
493.28024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54791	1.3
53.03960	6.8
53.04165	1.5
55.01873	13.0
55.05263	2.5
55.05513	28.7
56.96560	2.4
57.03439	10.8
57.07074	2.3
59.05003	3.5
65.03942	5.8
67.05505	46.0
69.03437	6.4
69.07062	12.2
71.01367	2.0
71.04980	8.4
71.56712	1.7
79.05495	40.8
81.03418	52.1
81.07054	41.9
83.01352	3.4
83.04981	22.1
83.08620	21.4
85.02905	17.4
85.06560	3.9
91.04910	2.3
91.05482	43.5
93.07043	34.3
95.04964	26.5
95.08609	20.8
97.02921	5.9
97.06523	11.1
97.10152	13.3
98.97587	1.3
99.04516	2.8
99.08096	1.5
103.05468	4.0
105.03391	3.2
105.07031	26.8
105.07690	2.0
107.04963	23.6
107.05640	2.2
107.08599	21.6
109.02932	3.7
109.06520	8.2
109.10169	14.2
111.04424	8.3
111.08086	9.5
111.11726	1.4
113.06073	1.4
115.05502	1.9
117.07020	8.2
119.04944	6.2
119.08577	22.7
121.02876	6.3
121.06454	6.3
121.10132	17.5
123.04409	6.8
123.08046	7.3
123.11723	3.7
125.05984	2.1
125.09614	10.0
127.03973	2.4
127.07514	1.4
129.07011	10.3
130.07758	1.6
131.04984	4.1
131.08566	15.2
133.06531	5.8
133.10141	14.9
135.04456	4.1
135.08015	6.5
135.11713	11.5
137.06017	3.3
137.09636	3.2
137.13156	1.7
139.03938	5.3
140.52725	1.2
143.08592	2.8
145.06590	2.7
145.10130	12.2
147.04405	28.0
147.05493	1.7
147.08069	8.1
147.11682	12.1
149.06013	1.5
149.09662	8.4
149.13298	2.5
151.03909	16.5
151.07646	1.5
153.09125	2.3
153.12776	9.5
154.07727	1.3
155.04037	1.4
155.08591	2.1
157.10139	10.7
159.08121	1.6
159.11769	3.6
161.06020	3.9
161.09698	1.5
163.03983	2.3
163.07635	1.5
163.11182	18.1
165.09169	3.7
165.12755	3.1
167.14404	1.7
171.11729	1.2
173.06281	1.3
173.09657	3.7
173.11841	1.5
175.11191	10.0
175.14999	1.3
177.05438	2.0
177.09076	1.8
179.08661	1.4
181.12268	6.0
185.13272	1.3
187.11278	2.4
189.09035	1.5
189.11296	4.2
191.10648	7.3
193.08548	1.6
193.12241	28.9
193.13835	2.0
199.11386	1.4
201.09386	1.2
201.12991	1.7
201.83961	1.1
205.12213	2.6
207.13841	1.8
209.11710	13.8
211.13255	32.3
219.10246	2.2
219.13901	2.2
227.12750	14.9
229.14482	4.5
237.02922	1.6
245.08144	7.0
247.13284	9.5
249.14937	6.7
265.14493	2.0
267.09009	1.8
267.15906	12.2
283.15479	11.3
285.10260	1.9
321.17133	3.3
355.22711	2.3
365.21228	3.0
373.23880	2.0
383.22122	7.1
401.23242	8.9
419.24295	2.0
424.17340	1.8
447.27786	1.6
457.26346	2.1
475.27011	28.2
475.33569	2.8
493.28143	100.0
494.28693	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	493.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27575	0.3
67.66289	0.3
69.03400	0.5
70.06570	0.7
71.56525	0.4
85.02876	1.4
86.09665	0.7
91.05473	0.6
97.02878	0.4
97.06489	0.5
105.07016	0.4
107.04930	0.9
131.04834	0.5
137.05927	0.3
169.04950	0.3
177.05377	0.6
187.03926	0.6
191.14276	0.4
203.06804	0.5
205.04732	46.7
219.06450	1.0
232.07224	0.4
251.05296	0.4
266.07617	4.3
267.08377	0.9
445.14615	0.6
493.16818	100.0
494.17023	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1684
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
55.01863	0.4
55.05519	0.5
67.05493	0.9
69.03424	0.4
69.07031	0.4
69.42656	2.0
71.04993	0.3
79.05485	0.7
81.03413	0.4
81.07044	1.2
83.08647	0.3
85.02895	0.6
91.05476	0.9
93.07053	0.9
94.83797	0.3
95.04986	0.4
95.08603	0.8
97.06521	0.3
98.97604	0.3
105.07025	0.8
107.04961	0.7
107.08610	0.6
109.10154	0.5
116.55918	0.3
119.04895	0.8
119.08561	0.3
121.10130	0.6
129.07076	0.4
129.26210	0.3
130.53082	0.3
133.10092	0.5
135.08090	0.4
136.75076	0.3
137.05981	2.0
139.03928	0.4
140.04318	0.3
145.02850	0.5
146.06020	0.3
147.04404	3.5
147.11819	0.4
149.05984	0.3
151.07581	1.1
161.09576	0.3
163.03874	0.4
163.11154	0.3
165.09038	1.4
167.07024	0.4
169.04761	0.4
177.05469	1.0
185.04190	1.7
186.06555	0.7
203.67554	0.3
213.53659	0.3
219.01778	0.3
227.05339	0.7
265.09247	0.6
267.08459	0.7
291.08499	0.3
329.08475	1.9
349.12515	2.6
391.13257	0.6
394.88724	0.3
431.16855	6.6
433.14752	3.7
475.15771	0.7
493.16748	100.0
494.17087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.28
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02383	1.3
53.03947	7.4
55.01872	10.8
55.05268	2.2
55.05513	27.2
57.03440	11.5
57.07059	2.4
58.52979	1.3
58.60532	1.4
61.24118	1.4
65.03943	5.0
67.05507	48.0
69.03433	5.8
69.07070	14.1
71.04993	9.4
71.28551	2.0
73.02927	1.6
75.33300	1.5
79.05493	52.5
81.03419	69.7
81.07056	44.9
83.04975	19.0
83.08617	27.5
85.02909	17.3
85.06542	4.1
91.05476	37.9
93.07048	59.6
95.04968	36.9
95.08607	39.8
97.02903	9.5
97.06564	9.1
97.10158	8.4
99.04452	5.9
99.08113	1.5
103.05492	2.0
105.03413	3.8
105.04545	1.9
105.07034	32.1
107.04955	26.2
107.08598	41.2
107.09301	2.6
109.02877	2.9
109.06499	7.6
109.10148	11.9
111.04442	8.7
111.08077	11.8
113.06008	2.8
115.05497	3.0
117.07019	18.2
119.04950	4.8
119.08588	27.5
121.02880	5.4
121.06503	10.8
121.10139	21.8
123.04411	2.4
123.08117	3.9
123.11738	2.8
125.06040	4.1
125.09619	7.2
127.03918	2.8
129.07002	11.0
130.07790	2.6
131.04955	3.7
131.08554	13.6
133.06534	7.1
133.10138	13.5
135.04411	3.4
135.08057	4.8
135.11688	40.7
137.06015	2.9
137.09619	3.7
139.03906	6.3
139.07603	2.6
142.07813	4.1
143.08569	5.5
145.06525	3.2
145.10124	26.7
147.04417	11.8
147.08113	5.6
147.11688	11.6
149.05988	2.3
149.09665	6.8
151.03920	24.4
153.09079	1.7
153.12717	7.9
155.08575	2.0
157.10144	10.0
159.08087	2.3
159.11710	2.9
161.06053	7.4
163.03893	2.0
163.11180	50.0
165.12798	2.8
171.11755	1.6
173.09630	2.4
173.13177	1.6
175.11195	10.1
181.10664	2.1
181.12231	15.4
183.11736	2.7
189.11171	3.4
191.10681	3.7
193.08636	5.3
193.12231	35.2
193.13863	2.1
195.11597	1.5
201.09123	1.8
201.13017	1.5
209.11699	9.2
211.13301	39.6
211.15276	2.4
219.10091	3.0
227.12788	100.0
229.14461	3.9
245.08095	15.1
246.44902	1.8
247.13341	11.2
249.14990	6.0
267.15948	41.8
283.15372	20.7
285.16965	2.2
302.04608	1.8
321.16931	1.9
355.22415	1.7
383.22342	3.3
401.23483	5.0
457.25671	1.6
457.32205	1.5
475.26941	40.1
475.33578	3.5
493.28082	97.1
494.28845	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.5
56.96550	2.3
57.03434	5.8
60.44214	1.7
60.64959	1.9
61.02925	5.1
67.01851	2.3
68.99802	1.9
69.03079	1.5
69.03432	11.7
69.03997	1.7
70.06915	1.6
71.54198	2.9
72.58112	1.9
73.02905	2.3
74.87903	1.9
79.05516	1.6
81.03417	6.8
85.02912	43.7
91.03975	1.8
91.05503	3.5
97.02875	11.2
98.97579	4.1
99.04475	3.2
103.03928	4.8
105.03368	3.9
107.04945	3.9
109.02871	9.4
116.98636	1.6
119.04954	2.6
121.02870	4.4
123.04452	9.5
123.32954	1.8
127.03926	10.5
133.06451	2.8
137.05948	4.1
139.03922	5.0
145.02863	1.9
145.04991	5.7
147.04427	13.5
149.77071	2.1
151.03922	28.8
155.43301	1.8
161.05995	4.1
163.03899	20.4
164.57010	1.7
165.05508	12.5
167.06996	2.4
167.22398	2.0
169.04984	33.3
175.03937	9.8
177.05426	2.2
179.06975	2.1
181.04976	54.8
187.03969	4.5
189.05461	7.7
193.04985	100.0
205.04846	26.8
207.03188	2.5
207.06567	24.2
210.96808	2.6
211.06026	98.7
213.05443	2.5
217.04990	4.6
219.01907	2.5
223.06171	2.5
228.97946	2.5
229.05002	12.8
231.06577	5.1
233.04347	2.0
235.06038	87.0
237.02850	4.0
241.05016	7.2
246.96849	1.9
247.06033	68.2
249.07784	2.1
252.98079	5.8
259.06039	37.8
265.07166	19.6
277.07095	36.7
278.99545	2.3
289.07224	2.4
295.08173	27.0
303.43118	1.7
313.09235	32.0
325.09302	3.3
331.10187	7.8
355.01144	8.6
403.10577	2.1
421.11734	1.9
453.51474	2.2
493.16916	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	493.0981
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
63.76230	0.1
67.01705	0.1
71.23074	0.2
79.05437	0.1
81.07032	0.1
82.06585	0.1
85.02893	0.1
93.07027	0.1
95.08572	0.1
103.80263	0.1
104.72540	0.1
113.51845	0.1
142.08630	0.2
152.06931	0.1
153.01837	0.4
154.08611	0.3
164.58174	0.1
197.12790	0.1
203.03508	0.2
217.04979	0.1
228.04172	0.2
233.81351	0.1
273.04022	0.4
274.04730	16.3
299.05795	0.1
302.04230	32.5
303.04581	0.4
317.06570	100.0
318.06931	1.2
348.32806	0.1
439.29150	0.2
493.09793	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	493.1344
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.50715	0.2
65.13174	0.2
66.85542	0.1
67.05465	0.3
71.57162	0.2
79.05451	0.1
80.72695	0.2
81.07021	0.3
83.08565	0.1
85.02864	0.3
91.05446	0.4
93.06999	0.3
95.08533	0.2
97.02827	0.2
103.18460	0.2
105.03356	0.3
105.07004	0.3
107.04920	0.2
107.08551	0.3
109.10146	0.2
121.02836	0.2
137.05968	0.7
147.04356	0.2
151.07430	0.2
153.01807	0.5
154.02580	0.2
177.05482	0.3
178.02522	0.4
242.05724	1.3
243.06543	0.2
258.05222	1.4
269.04462	0.3
270.05228	7.8
273.03885	1.1
285.04044	0.2
286.04715	1.5
287.05493	3.5
288.05328	0.3
295.22467	0.2
298.04611	0.3
299.05466	0.7
301.03586	1.7
301.07031	0.4
302.04163	2.0
302.07474	0.5
303.07620	0.9
313.03641	0.9
313.23550	0.2
315.04980	30.6
316.05746	3.8
317.06616	0.3
331.08115	100.0
332.08453	0.7
340.75250	0.2
375.87848	0.2
493.12936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.5
51.02377	1.2
52.04399	0.5
53.03948	5.7
55.01864	1.1
55.05521	0.9
57.03432	0.5
58.25991	0.5
60.11459	0.4
65.03930	0.5
67.05496	1.4
69.03436	6.9
69.07059	0.5
71.04987	0.7
71.55544	0.8
75.57969	0.5
77.03915	1.3
79.05505	4.9
81.03430	4.5
81.07066	2.3
83.01353	1.0
83.04986	1.0
83.08633	0.5
85.02905	1.1
91.05470	2.6
93.07038	1.7
95.04963	7.7
95.08606	1.4
97.02927	0.9
101.02344	0.7
105.03394	100.0
105.04533	2.9
105.07039	1.5
106.03669	0.5
107.04957	23.8
107.08597	0.8
109.02869	4.4
109.06490	0.9
109.10143	1.2
113.02342	0.5
117.07043	1.3
119.05002	2.3
119.08588	1.4
121.02870	10.5
121.06567	0.5
121.10152	0.9
123.04446	3.4
123.11729	0.6
124.28218	0.4
127.03892	3.4
128.06245	0.6
128.57336	0.4
129.01852	1.1
130.76503	0.5
131.04958	1.4
131.08629	0.8
133.06487	1.6
133.10088	0.8
135.04422	17.7
135.11716	0.8
137.06030	0.8
139.03914	1.9
145.06516	1.2
145.10101	0.9
147.04401	3.9
147.08119	0.7
147.11681	0.5
149.02327	0.9
151.03951	1.2
157.06522	1.0
161.05988	1.5
163.03902	18.9
163.05244	1.0
163.07571	2.0
163.11147	0.8
165.05489	0.8
165.09140	4.2
171.04451	1.5
175.07579	0.6
175.11284	0.6
181.04932	2.6
187.07532	1.1
189.05499	1.0
193.12238	1.2
197.05946	1.1
203.07004	3.7
205.08612	9.5
211.13327	0.9
213.05438	0.7
215.07002	1.5
217.05045	0.9
227.12889	1.0
229.04997	3.1
247.06075	2.2
249.07544	1.1
265.07031	5.6
267.15900	0.8
291.10156	0.7
335.09039	0.7
351.08569	1.0
357.13306	5.7
369.09604	5.3
387.10779	3.7
493.28256	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	492.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01863	0.8
55.05497	1.6
56.36619	0.6
57.07067	1.4
58.99570	1.8
61.02923	1.1
67.05482	1.1
69.03426	34.0
69.07054	2.0
70.06599	0.7
71.04967	1.4
71.45361	0.9
73.02914	0.7
75.84171	0.7
76.02219	4.4
79.05482	2.1
81.03411	1.4
81.07043	4.0
83.04971	2.7
83.08619	1.0
85.02901	9.8
85.06533	2.4
87.04496	0.8
91.05478	3.0
93.07036	3.5
95.04937	0.9
95.08599	5.4
97.02888	2.2
97.06512	2.9
97.31099	0.7
98.97589	0.7
105.00088	1.4
105.07033	4.3
107.04955	3.1
107.07881	0.8
107.08585	12.1
109.02842	1.1
109.06531	4.4
109.10176	1.4
111.08083	2.3
119.08581	3.7
121.06496	1.4
121.10139	11.1
122.02724	22.5
123.08033	3.2
123.11696	8.3
125.09625	17.4
127.03925	1.4
131.04935	1.1
131.08546	4.4
133.10075	4.2
135.08044	8.4
135.11649	4.7
137.05989	0.8
137.09641	0.9
143.08548	1.0
145.04956	1.4
145.10095	2.7
147.11664	2.4
149.09618	11.0
149.13283	3.2
151.11118	1.4
153.09109	6.2
158.10872	2.9
163.07510	1.6
163.11171	2.1
163.14806	5.1
165.12758	2.8
167.05249	1.1
167.10643	2.0
167.98981	0.7
173.13268	16.0
177.99980	1.0
191.14304	62.3
200.03702	1.3
205.04774	1.8
209.15363	100.0
210.15746	1.1
223.11517	3.0
241.12582	6.6
286.32730	0.8
330.17291	12.2
354.13748	0.8
492.21826	2.2
493.16754	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	491.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13465	0.2
53.03941	0.4
55.01873	0.6
55.05509	1.9
57.03426	0.6
57.07064	0.4
64.23515	0.2
67.05505	6.2
69.03423	0.5
69.07056	1.0
70.85390	0.4
71.05000	1.1
79.05491	3.3
81.03410	0.5
81.06591	0.4
81.07056	6.6
83.04969	1.0
83.08621	1.0
85.06517	0.3
91.05478	2.6
93.07047	3.4
95.04980	1.5
95.08606	3.6
97.06533	0.5
97.10175	0.9
103.05444	0.3
105.03314	0.2
105.07025	1.4
107.04963	2.8
107.08596	2.1
109.06510	1.7
109.10158	7.1
111.08024	0.3
117.07013	0.9
119.04945	0.3
119.08583	3.6
121.06522	2.5
121.10159	1.7
122.07281	1.3
123.04462	0.4
123.08061	0.8
123.11714	6.6
125.09625	0.9
129.07002	0.6
131.08600	1.4
133.10095	0.7
135.08040	1.1
135.11662	0.5
136.25288	0.2
137.05959	0.4
137.09622	12.4
138.09831	0.2
139.03868	0.3
139.07567	0.4
141.07050	0.4
143.08528	0.5
145.06479	0.7
145.10129	0.5
147.04431	0.4
147.08061	0.6
147.11688	0.5
149.05962	0.2
149.09593	0.9
149.13243	0.5
151.11206	0.3
155.10657	1.0
157.06670	0.2
157.10153	0.5
159.08058	0.4
159.11787	0.4
161.09631	0.5
163.03909	0.2
163.11172	0.5
165.09114	100.0
166.09444	0.7
167.10655	0.4
169.10123	0.3
171.08113	0.2
172.68988	0.2
173.09552	0.2
173.11732	0.6
173.13158	0.3
175.07530	0.3
175.11133	0.6
177.62999	0.2
183.10178	1.1
187.11188	0.3
189.09090	0.2
189.11203	0.4
189.12799	0.3
191.14265	0.4
193.12271	0.3
199.13255	0.4
201.11188	1.3
205.12334	0.7
209.19020	0.4
219.13766	0.9
223.13016	0.3
233.15381	0.3
243.14084	0.2
249.14719	0.3
273.14740	0.6
289.39682	0.2
293.24725	0.6
321.24454	0.2
339.25714	1.5
349.21652	0.5
357.24225	0.3
367.22589	1.2
385.23761	2.6
399.29861	0.3
403.24854	0.5
419.90051	0.2
423.24933	0.3
455.31717	0.3
459.27405	6.2
473.32370	0.7
491.23447	0.4
491.30035	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11376	1.3
53.03949	4.9
55.01865	9.0
55.05511	27.2
57.03432	6.4
59.05008	1.8
65.03941	2.4
67.05505	36.3
69.03432	5.0
69.07069	13.7
71.04980	12.3
79.05495	48.3
81.03416	9.5
81.07054	47.5
83.04980	8.5
83.08621	12.2
85.02898	4.6
85.06560	5.2
87.04473	1.8
91.05482	33.0
91.06014	2.8
93.07047	46.9
95.04963	19.9
95.08607	22.9
97.02887	2.7
97.06528	8.5
97.10165	20.6
99.04464	1.7
99.08072	2.1
103.05486	1.6
105.03398	5.0
105.04553	2.4
105.07030	23.1
107.04963	42.4
107.08588	23.9
109.02937	2.2
109.06515	19.4
109.10156	18.9
109.10840	1.9
111.08105	6.7
115.05478	3.5
116.05330	1.5
117.07019	12.1
119.04965	4.3
119.08582	16.6
121.06504	36.2
121.10138	25.9
122.07325	1.9
123.04490	3.3
123.08105	5.9
123.11745	7.7
125.09632	19.3
128.06238	2.4
129.07011	9.8
131.04968	5.2
131.08566	24.8
133.06512	6.3
133.10152	9.7
134.71690	1.6
135.04433	1.5
135.08047	13.1
135.11714	5.3
137.06007	3.8
137.08640	2.4
137.09604	14.9
139.03915	3.2
139.07544	1.6
139.11224	4.8
141.07031	4.3
142.07825	2.3
143.08606	6.8
145.02904	1.6
145.05481	2.2
145.06473	13.0
145.10124	13.3
147.04451	6.6
147.08008	7.5
147.11751	5.5
149.06030	2.0
149.09615	11.0
151.07646	2.7
153.09117	3.9
155.08589	4.5
157.06534	2.2
157.10152	4.8
159.08119	5.5
159.11728	5.3
161.06026	2.5
161.09674	4.7
163.04094	1.4
163.11211	5.3
165.09117	100.0
167.08571	1.8
167.10736	4.5
169.10184	4.6
171.08122	3.4
171.11731	3.3
172.63403	1.5
173.09653	3.4
173.13310	5.7
175.07545	3.5
175.11319	2.3
177.05528	2.3
177.12791	1.9
181.10112	2.2
183.11758	2.1
185.09595	1.6
185.13228	2.6
187.11224	1.7
189.09186	1.4
189.09705	1.8
189.11215	9.1
189.12720	2.1
191.10748	1.9
191.14401	5.7
193.12299	4.1
195.11847	2.8
197.09680	2.1
197.13368	3.2
199.11644	2.2
199.13266	8.8
201.12869	3.1
203.14433	2.2
205.10475	1.7
205.12360	3.6
211.13210	2.1
213.12755	1.6
215.14273	3.3
219.13766	15.7
221.41145	1.5
227.12709	3.9
233.15460	5.5
247.17091	2.1
249.14711	7.3
255.13933	2.3
257.15500	1.8
261.14819	1.8
269.15833	1.7
271.16977	3.1
273.14832	10.4
275.16516	9.1
297.18478	2.0
339.23370	4.6
349.21579	9.1
357.24365	3.0
367.22708	25.8
385.23755	31.7
399.25775	1.9
403.24722	9.0
405.24286	2.9
416.45273	1.6
417.26468	4.3
423.25726	1.6
441.26349	7.5
455.31522	2.4
459.27423	90.6
460.28027	2.5
473.29156	2.8
491.30249	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3006
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02377	2.6
53.03956	8.4
54.18514	1.5
55.01863	4.3
55.05271	2.3
55.05515	32.1
57.03435	12.6
57.07055	2.7
57.50972	1.7
59.05001	4.3
60.77992	1.6
65.03931	5.2
67.05508	70.5
69.03429	3.2
69.07063	13.3
71.04980	6.7
73.84233	1.8
79.05497	82.0
81.03423	62.0
81.06589	3.4
81.07060	66.7
83.04979	16.5
83.08627	31.2
85.02910	13.5
85.06558	2.9
91.05486	100.0
92.66805	1.9
93.07048	71.4
95.04377	2.2
95.04977	38.6
95.08615	30.4
97.02876	3.0
97.06532	6.1
97.10146	10.8
98.20698	3.7
99.08082	4.0
103.05439	1.9
105.03413	1.6
105.04501	3.8
105.07037	63.4
107.04966	10.8
107.08602	24.4
109.06519	8.8
109.10171	12.2
111.08096	9.5
113.06035	2.2
115.05456	2.4
117.07035	21.7
119.04912	3.3
119.08584	42.1
121.06505	7.2
121.10149	14.2
123.08081	7.0
123.11729	12.4
125.09635	8.2
128.06216	4.8
129.07014	29.2
131.08585	16.8
133.06471	4.5
133.10159	23.1
135.08017	3.3
135.11700	3.2
141.06956	2.6
142.07793	2.7
143.08566	13.6
145.06511	2.0
145.10152	13.6
147.08008	4.3
147.11703	39.2
149.09598	6.0
155.08557	3.1
157.10162	15.1
159.11703	3.2
161.09605	4.3
161.13258	10.0
163.03929	2.6
163.11172	4.4
166.32320	2.3
167.08562	2.3
169.10100	3.6
171.07970	2.9
171.11682	23.0
173.09616	2.2
175.11165	12.2
179.14244	1.8
181.10130	2.3
183.11777	2.0
185.13252	4.4
187.13255	6.0
189.11229	3.9
189.12732	10.8
189.71832	1.7
193.12254	38.0
207.13809	27.5
211.13268	24.1
211.15027	2.7
225.14906	2.4
227.12788	6.2
231.10193	2.1
231.13945	2.4
243.15968	5.2
249.14890	9.5
267.15927	38.3
281.17517	30.0
305.17508	4.0
363.23300	4.7
381.24344	6.3
399.25278	7.6
403.24548	2.0
445.29678	2.5
447.35767	2.4
455.28192	3.3
473.29025	79.9
491.23541	3.1
491.30133	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3008
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02347	2.9
53.03951	11.3
55.01865	6.0
55.05276	2.0
55.05517	36.9
57.03443	12.9
57.07080	2.4
59.04993	2.3
65.03919	5.6
67.05508	70.5
69.03429	2.7
69.07076	15.7
69.87129	3.7
69.87486	10.4
71.04978	7.9
79.05498	86.5
81.03423	68.6
81.06592	4.1
81.07056	71.4
83.04987	18.7
83.08622	25.4
85.02903	14.4
85.06535	3.1
85.15515	1.8
91.05484	100.0
93.06488	4.3
93.07052	69.5
95.04966	34.4
95.08611	34.4
95.26298	1.9
97.02877	2.7
97.06524	8.7
97.10189	10.2
99.08084	3.7
101.05977	2.2
103.05450	3.0
105.07035	57.0
107.04948	9.2
107.08595	23.3
109.06512	9.3
109.10134	11.5
111.04449	4.0
111.08120	9.6
115.05453	2.8
117.07038	20.7
119.04934	3.6
119.08583	38.2
121.06493	5.7
121.10162	11.1
123.08060	9.7
123.11715	11.0
125.05946	2.3
125.09595	5.5
128.06201	5.5
129.07008	26.1
131.08569	19.5
133.06525	3.8
133.10117	23.2
135.08066	4.6
135.11702	5.0
137.09607	4.5
141.06987	3.6
142.07799	6.1
143.08565	11.3
145.06572	2.1
145.10114	13.7
147.08089	5.4
147.11697	40.0
147.68896	2.3
149.09570	6.2
157.10130	14.6
159.11713	3.9
161.09604	4.7
161.13257	10.7
163.11165	3.1
165.09111	32.0
171.11713	23.3
175.11214	10.9
184.86588	2.6
185.13358	3.5
187.13229	3.9
189.12753	7.4
193.12251	33.6
203.10667	3.3
205.12178	6.3
207.13794	25.6
211.13249	21.3
225.14854	3.8
227.12814	6.7
231.13695	4.7
243.15874	2.9
249.14885	8.0
267.15918	34.1
281.17490	41.4
298.99719	2.1
305.17569	4.2
313.09348	1.9
353.24808	2.5
358.16324	3.4
363.23114	4.6
381.24265	5.0
399.25174	4.9
421.26163	2.7
455.27859	2.4
473.28827	71.5
491.30078	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24041	1.1
55.05512	12.5
57.03441	10.6
57.07074	4.8
57.09686	1.1
59.74672	1.1
65.03929	2.0
67.05506	43.3
67.66763	1.1
69.07070	16.7
79.05491	14.3
81.03440	1.3
81.07059	45.8
83.05015	1.5
83.08607	10.2
91.05481	11.7
93.07048	14.2
95.08606	40.6
97.06541	3.6
97.10174	6.0
98.98468	60.7
105.07022	6.4
107.08578	8.6
109.06503	1.8
109.10168	19.3
111.08101	1.9
117.07031	1.4
119.08586	7.6
121.10126	8.1
123.08121	1.3
123.11716	6.8
127.53043	1.1
133.10124	6.0
135.11690	4.7
136.99971	3.2
137.09610	2.1
137.13258	3.7
147.11685	5.4
149.13316	3.2
151.14830	2.8
155.01048	61.1
161.13272	3.7
163.14845	3.9
175.14848	2.6
211.03706	4.8
227.33817	1.2
229.04747	5.2
245.22652	6.1
263.23685	12.5
319.26202	2.2
337.27362	100.0
473.20477	1.6
473.26660	19.8
491.30328	1.6
491.37314	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53150	0.5
53.03934	0.8
55.01865	0.8
55.05500	2.6
57.03426	0.5
67.05508	4.9
69.03408	0.6
69.07057	2.2
71.05007	1.2
79.05483	5.1
81.03414	1.2
81.07063	5.7
83.04978	0.9
83.08614	1.7
88.30653	0.6
91.05479	3.4
93.07056	4.3
95.04966	2.1
95.08596	2.6
97.06533	1.0
97.10184	1.3
98.20723	1.2
104.15372	0.6
104.99628	0.5
105.03432	0.7
105.07012	2.5
107.04945	3.3
107.08575	2.5
109.06504	1.6
109.10170	1.6
111.08105	0.6
116.61926	0.5
117.06963	0.6
119.08589	1.8
121.06500	1.9
121.10149	2.1
123.08070	0.6
125.09615	0.8
129.07030	0.8
131.08575	1.6
133.10161	1.4
135.08116	0.7
135.11781	0.9
143.08632	0.8
145.10092	1.0
147.04414	1.5
147.11722	0.9
151.07530	0.8
163.03920	1.4
163.11232	0.6
165.09198	0.6
167.10658	0.8
176.62706	0.6
186.74799	0.6
193.12265	0.7
194.16714	0.6
219.13739	1.0
273.15112	0.8
299.12845	1.7
307.46637	0.7
319.74780	0.6
329.22998	10.9
342.79849	0.7
359.27899	0.6
359.76294	0.5
367.22797	2.0
385.23782	2.4
413.09567	0.6
459.27365	6.6
491.28323	100.0
492.28592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01867	3.6
55.05515	18.7
55.95692	1.3
56.96575	1.3
57.03430	5.8
60.91004	1.5
61.23627	1.2
65.03941	2.6
67.05508	19.7
69.03431	10.8
69.07072	8.0
71.04998	8.6
71.15417	2.4
79.05495	37.9
81.03408	9.8
81.07053	24.3
83.04967	3.7
83.08612	6.5
85.02911	4.2
85.06540	2.2
91.05480	30.3
93.07044	82.2
95.04960	12.0
95.08614	13.2
97.02918	3.9
97.06553	4.3
97.10165	11.4
103.05469	5.0
105.03403	2.7
105.04525	3.1
105.07039	36.2
107.04960	18.9
107.08594	24.6
109.02886	4.7
109.06513	11.1
109.10163	11.0
111.04453	1.5
111.08060	3.2
116.06244	2.3
117.07018	7.1
119.08583	18.9
121.06509	24.0
121.10146	100.0
123.04436	4.2
123.08056	7.9
123.11731	4.0
125.05932	1.6
125.09634	9.8
127.03917	2.2
128.06241	1.9
129.06990	5.1
131.04971	2.3
131.08574	17.2
133.06512	3.4
133.07567	2.6
133.10126	5.5
135.08083	4.5
135.11696	5.0
137.05989	1.6
137.09637	2.7
139.03888	2.5
139.07616	1.6
139.11174	3.3
141.06984	2.3
142.07718	1.3
143.08583	5.1
145.06491	7.6
145.10138	12.9
147.08031	3.8
147.11690	4.4
149.09622	88.6
153.09033	1.8
155.08591	2.3
157.10106	3.4
159.08142	1.7
159.11681	4.7
161.09663	2.3
163.03934	2.9
163.11171	9.6
165.09131	2.2
167.10669	11.4
169.10158	2.0
171.11726	3.5
173.09651	2.0
173.13316	3.0
175.11241	2.3
181.12218	18.0
185.13185	1.7
189.11205	4.5
191.10643	1.4
191.14340	3.3
195.11707	2.3
219.13814	8.5
229.15898	1.5
233.15375	1.9
249.14839	3.1
273.14771	1.7
275.16370	4.4
287.16431	1.5
293.13861	4.3
311.14853	6.2
311.20242	2.3
339.23257	2.2
349.21649	4.0
357.24155	2.5
367.22607	9.6
369.13071	2.0
385.23758	13.8
403.24783	3.9
418.61414	1.5
441.26401	3.6
459.27451	42.6
491.30341	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	491.1186
Annotation	Hispidulin 7-methylglucuronide
Peak:m/z	Relative Intensity
53.03948	0.2
55.05528	0.3
56.96574	0.4
67.05508	0.3
69.03441	0.6
69.07086	0.2
69.71712	1.1
70.06622	0.3
71.05006	0.5
73.02911	0.2
79.05502	0.5
81.03436	0.4
81.07071	0.7
81.72819	0.2
83.05004	0.3
85.02905	1.0
85.06617	0.3
91.05509	0.8
93.07045	0.5
94.74667	0.2
95.08581	0.3
97.02900	0.5
97.06560	0.3
98.21436	0.4
98.97585	0.4
99.04495	0.2
103.22029	0.2
105.07031	1.0
107.04922	0.5
107.08620	0.9
109.02891	0.4
109.10163	0.4
117.07104	0.3
119.08612	0.4
121.06532	0.2
121.10160	0.6
123.08055	0.2
124.88994	0.2
125.06001	0.2
127.03939	0.4
131.08562	0.2
133.06526	0.4
133.10118	0.3
135.11685	0.2
137.05977	0.8
145.06552	0.3
147.04462	1.0
149.06020	0.3
151.03885	0.4
151.07585	0.3
153.01874	0.6
161.05957	0.2
161.09656	0.6
167.07033	1.8
173.05919	0.2
177.05481	0.4
177.08951	0.2
179.10707	0.2
181.05017	0.4
181.12215	0.2
207.10077	0.3
208.10513	0.2
229.05008	0.3
237.56731	0.2
257.04584	0.2
258.05252	12.5
259.05643	0.2
286.04730	30.7
287.05405	1.2
288.14075	0.3
301.07071	100.0
302.07465	0.9
309.11203	0.3
329.10193	0.5
491.11197	1.5
491.18903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.358
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03941	1.7
55.01869	1.4
55.05515	13.1
56.83468	0.9
57.03431	3.9
59.04990	1.8
65.03938	1.5
67.05508	47.2
69.07070	11.8
70.23464	3.6
71.04985	2.4
79.05501	20.1
81.07061	25.6
83.04992	1.9
83.08630	7.5
83.86919	1.3
85.06555	1.8
91.05483	18.2
93.07052	24.5
95.04948	1.7
95.08054	1.9
95.08611	20.4
95.09172	1.7
97.06553	2.7
97.10177	3.7
98.20845	1.4
105.07037	17.0
107.08601	16.2
109.10162	24.0
111.08099	2.5
117.07037	7.7
119.08582	21.1
121.06481	1.5
121.10160	13.3
123.08080	2.2
123.11683	2.7
125.09636	2.1
128.06183	1.1
129.07045	3.2
131.08594	13.0
133.10139	14.9
135.11693	8.0
139.11205	2.2
141.07079	1.5
143.08577	5.1
145.10123	13.3
147.11697	11.1
149.09634	1.9
149.13278	3.7
155.08661	3.0
155.10683	1.3
157.10146	4.4
159.11717	10.7
161.13277	4.6
169.10114	2.5
171.11734	4.2
171.64255	1.0
173.11748	5.6
173.13295	6.9
175.14877	2.5
183.11737	3.2
185.13297	4.7
187.14854	3.0
189.16408	1.8
197.13313	3.0
199.14845	3.0
201.16434	1.3
211.14812	2.0
213.14912	4.2
225.16347	1.1
225.89310	1.1
227.18091	1.3
237.71028	1.3
241.19609	2.0
259.20496	1.9
261.22205	1.6
269.22644	1.1
271.20471	1.5
285.22214	1.5
297.22150	1.7
299.23746	1.7
303.23407	1.2
314.87073	1.1
363.25339	1.3
377.26938	1.8
379.29926	5.7
383.59396	1.2
397.30981	11.8
415.32214	2.4
453.33948	1.3
471.34769	14.6
489.35831	100.0
490.35941	1.9
507.89313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.79711	1.2
53.03946	2.8
55.05272	1.5
55.05517	15.3
57.03458	2.5
57.07064	4.0
59.05002	2.0
65.03920	3.0
67.05509	67.3
69.03416	1.5
69.07071	19.1
69.20001	11.5
69.20404	3.0
71.04995	3.4
71.08633	1.5
79.05496	28.3
81.07063	44.0
83.08625	9.8
85.06544	4.0
88.14368	1.3
91.05482	22.3
93.07049	35.5
95.04985	3.1
95.08611	46.2
95.93257	1.3
97.06545	3.2
97.10173	6.3
105.07040	20.1
107.08607	28.8
109.06543	2.3
109.10164	55.6
111.08073	3.2
113.09678	1.3
117.07022	6.7
117.98467	1.3
119.08591	28.1
121.06532	1.4
121.10158	22.7
123.08109	1.9
123.11723	16.2
129.07004	4.4
131.08583	15.9
133.10146	15.7
135.08109	1.6
135.11726	10.1
137.09625	4.5
137.13263	3.5
139.11179	2.3
141.06998	2.6
143.08582	8.2
145.10129	20.8
147.08060	2.4
147.11684	13.1
149.09666	1.8
149.13269	7.3
155.08766	2.4
155.10663	2.2
157.10143	8.5
159.11702	20.8
161.09613	1.8
161.13281	6.0
163.11142	1.8
163.14844	4.0
165.09149	2.3
165.12872	1.9
165.16376	1.4
169.10139	4.3
171.11693	6.5
173.11763	7.8
173.13293	10.6
175.14835	4.7
177.16417	3.4
179.10712	1.4
179.17969	7.3
183.10225	1.5
183.11769	3.8
185.13324	5.2
187.14867	5.5
189.12740	2.0
189.16426	2.4
191.10597	1.6
191.17960	5.7
197.13286	3.1
199.14890	4.6
201.16412	4.2
205.19531	1.4
211.14897	1.9
213.14806	1.8
213.16603	1.7
215.17952	13.6
217.15988	1.5
227.18010	1.5
231.21239	1.7
233.19051	11.8
241.19601	2.0
243.17360	1.9
255.21442	1.2
257.22595	1.8
261.14911	3.4
261.22116	2.5
263.16422	3.4
269.22668	1.6
275.16525	2.5
285.22183	1.4
289.18011	5.2
291.19849	2.1
297.22079	1.4
309.25806	2.7
323.23901	1.6
323.27499	2.2
379.29993	5.2
397.31119	9.6
415.32104	2.8
425.34290	4.5
427.32178	1.6
441.33594	4.3
443.35370	3.6
453.33664	16.1
471.34808	18.1
489.35815	100.0
490.36099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66626	0.3
53.03950	0.4
55.01875	0.4
55.05501	1.0
56.58807	0.2
57.03425	0.3
57.07096	0.3
60.29357	0.2
61.75632	0.2
65.03929	0.4
65.60120	0.3
67.05507	4.9
69.03426	1.1
69.07058	1.1
70.41058	0.3
71.04983	0.6
71.55132	0.3
79.05507	1.6
81.03404	0.8
81.07054	4.8
83.04980	0.7
85.02919	0.8
85.06552	1.3
89.47050	0.3
91.05463	2.3
93.07054	2.4
95.04951	0.8
95.08609	4.3
97.02902	0.4
97.06570	0.4
97.10163	0.5
98.97612	0.3
99.04484	0.3
105.03407	1.1
105.07004	1.3
107.04943	1.0
107.08598	2.0
109.06505	1.0
109.10157	5.9
111.08073	0.7
113.05978	0.3
113.09636	0.7
117.07020	0.5
119.04919	1.8
119.08582	4.3
121.02850	0.4
121.06461	0.4
121.10149	2.0
122.07323	1.6
123.08077	0.8
123.11715	2.2
125.09614	0.3
127.03917	0.7
127.07645	0.3
127.27130	0.2
129.07068	0.3
129.09125	0.8
131.08548	0.5
133.06474	0.4
133.10120	0.7
135.08052	0.7
135.11707	1.0
137.05991	0.5
137.09622	12.2
139.07581	0.3
139.11194	0.3
141.09102	1.0
145.10115	1.5
147.04420	9.1
147.08049	0.4
147.11729	0.5
149.09615	1.5
149.13156	0.3
151.07518	0.8
151.11200	0.5
153.09134	0.3
155.10641	0.3
157.08609	1.0
157.09949	0.3
159.10265	0.3
161.05998	0.3
161.13251	0.4
163.07420	0.3
163.11182	3.4
165.09119	100.0
166.09462	0.6
169.08623	0.4
175.11084	0.5
177.09082	0.5
177.12819	0.3
181.12227	4.5
187.09688	0.6
189.09047	0.3
189.12788	0.5
191.10703	0.5
201.21802	0.3
203.10654	0.5
203.14281	0.4
205.12289	1.5
261.22250	0.4
273.22250	0.3
291.23206	0.9
309.10013	0.5
317.21085	0.5
319.22574	0.4
325.23822	0.4
337.23883	1.3
389.19095	0.3
425.30606	0.8
429.46884	0.3
443.31415	0.7
471.31558	0.3
489.16650	0.5
489.23328	0.4
489.32080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.1
55.49849	1.1
57.07096	2.2
67.05496	3.5
69.07076	3.5
81.07062	2.6
83.08634	1.9
95.08613	1.4
98.21630	1.9
109.10170	5.4
119.08601	3.2
121.06515	12.3
122.99790	1.0
135.08089	1.3
136.08862	14.1
137.09624	14.8
149.09657	3.1
164.08344	30.9
165.09120	100.0
166.09433	8.1
172.35747	1.1
177.09172	2.1
189.09175	1.7
203.10681	1.6
205.12209	7.1
206.12636	1.8
214.57600	1.2
240.00749	1.1
281.27979	1.0
327.25247	3.3
420.61758	1.2
428.36398	5.1
488.38629	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.137
Annotation	venturamide A
Peak:m/z	Relative Intensity
53.94655	0.9
57.13397	0.9
67.05506	1.4
69.03415	1.5
69.07079	1.2
71.15265	2.1
79.05482	2.0
81.03394	2.1
81.07040	2.8
85.02876	2.2
87.04452	0.9
91.05465	1.7
93.07049	1.5
95.08585	2.7
97.02925	1.1
97.06514	0.9
97.60348	0.8
98.97608	1.7
105.03370	1.5
105.07030	1.2
107.08601	1.7
109.02812	1.1
109.10143	2.1
109.54760	0.9
119.04903	2.3
119.08582	2.4
121.06538	1.1
121.10088	1.0
127.03909	3.3
137.06007	4.3
137.09618	3.5
147.04362	5.5
149.02327	1.4
149.05814	0.9
163.03728	2.1
165.09091	3.2
167.07011	1.0
169.04784	1.8
181.04749	1.7
201.11186	1.1
227.67653	1.1
331.07913	19.3
347.07355	11.8
349.09006	3.8
427.13675	100.0
428.14044	1.4
429.18359	1.5
443.13129	17.8
471.12692	20.1
489.13629	94.4
490.13834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.20420	0.4
55.05499	0.8
56.96557	0.7
57.07085	0.5
65.03925	0.9
67.05510	1.7
68.57996	0.3
69.03422	1.5
69.07068	0.8
69.53603	0.8
69.54015	1.8
71.04978	0.4
74.22354	0.3
79.05486	1.6
81.03420	3.3
81.07063	2.7
83.04973	0.5
85.02898	1.9
85.06535	0.5
87.64756	0.3
91.05487	10.9
93.07053	3.7
95.04961	1.5
95.08611	1.5
97.02882	1.0
98.97572	0.9
99.04453	0.5
100.30052	0.3
100.72121	0.3
103.05488	1.7
105.03326	0.4
105.07021	1.4
107.04936	0.6
107.08588	2.3
109.02897	1.7
109.10144	3.0
111.03622	0.4
111.04429	0.4
115.05370	0.4
117.07055	0.6
119.04945	21.4
119.08578	0.7
121.06487	1.2
121.10138	2.6
123.08052	0.7
123.11732	0.6
125.05994	0.4
125.09653	0.4
127.03946	0.8
131.04926	6.2
131.08601	0.6
133.10139	0.5
135.08020	0.4
135.11690	1.3
137.05920	0.8
137.09616	2.7
145.10165	0.7
147.04414	100.0
148.04761	0.6
149.05920	0.5
155.10638	0.4
163.11205	0.7
165.05495	3.9
165.09146	2.7
165.10451	0.5
166.00145	0.4
173.13219	0.4
178.61359	0.4
180.69913	0.3
181.12169	0.4
187.14819	0.3
223.20609	0.4
227.85873	0.4
291.08670	2.6
293.10199	0.7
309.09732	2.9
309.12970	0.6
327.14270	0.4
349.09045	0.5
350.71774	0.3
382.78220	0.3
440.60101	0.4
471.18472	0.4
473.08585	0.3
489.20218	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	488.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.1
57.07069	1.0
67.05501	4.2
69.07074	6.5
79.05482	2.5
81.07055	7.5
83.08627	1.7
87.10463	0.7
91.05494	1.6
93.07038	4.6
95.08053	1.3
95.08612	15.4
97.10167	1.1
97.18223	0.7
99.08099	2.0
105.07044	5.4
107.08591	7.6
108.80976	0.7
109.06522	2.2
109.10165	10.7
111.11720	2.6
117.06994	1.0
117.25094	0.8
119.08590	4.5
121.10150	12.6
123.08076	2.0
123.11693	7.2
125.13210	1.4
127.07535	2.9
131.08572	3.1
133.06487	0.9
133.10126	9.1
135.11702	5.3
135.39735	0.7
137.13242	2.5
143.07060	0.9
143.08575	1.7
145.10149	4.7
145.87424	0.8
147.11710	4.8
148.66588	0.8
149.13260	2.2
155.07039	4.5
157.10109	3.7
159.11708	6.4
161.13266	3.4
163.14848	1.5
169.08597	3.9
169.09961	1.1
171.11710	2.2
173.13271	6.9
175.11208	0.8
175.14828	2.5
177.16336	1.5
183.11754	1.5
185.13266	3.2
187.14841	4.8
189.16386	1.4
197.11723	1.3
197.13269	6.3
199.14818	4.1
199.67422	0.8
201.16382	1.7
201.93344	0.7
203.18011	2.0
211.14868	3.0
213.16418	1.6
215.17851	1.1
217.15955	0.8
225.16406	1.9
226.17372	0.8
227.17972	3.2
229.19542	3.4
239.17958	1.6
241.15828	0.8
241.19516	2.7
243.17439	1.1
243.21077	1.6
245.57143	0.7
253.19423	1.8
255.21123	2.7
257.15469	1.0
257.22672	1.6
263.16476	2.5
267.21094	1.9
269.22491	0.9
279.20947	0.9
281.22656	2.1
283.24304	2.2
287.16446	4.0
289.17917	0.9
317.21277	0.9
329.21210	1.2
331.22705	3.1
335.27423	2.9
337.28912	5.6
343.22525	1.2
346.19849	0.9
353.32193	1.4
363.30380	1.0
379.29837	1.5
381.27829	22.8
389.28558	1.0
397.31036	2.9
407.29324	4.0
425.30573	18.0
427.32141	7.5
435.29010	1.8
453.30008	5.7
471.31104	26.5
471.37897	1.3
488.33710	100.0
489.34000	2.8
493.12521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.2
57.07072	3.4
57.55411	1.5
65.10622	1.3
67.05515	10.3
67.65883	1.5
69.07073	14.3
71.04993	1.4
79.05502	4.8
81.07069	17.7
83.05019	3.5
83.08645	3.3
85.06524	2.9
87.04477	6.7
91.05484	4.4
93.07052	14.8
95.08615	28.3
97.10188	4.2
98.20718	3.4
99.08076	1.7
101.06032	11.6
105.07012	11.2
107.08593	18.8
109.10150	20.1
111.08099	2.6
111.11745	3.6
113.09669	1.4
115.03882	1.3
117.07027	1.8
119.08581	12.1
121.10147	31.2
123.11716	9.3
129.05481	8.2
131.08600	4.1
133.10141	13.9
134.10402	1.7
135.11717	10.1
137.13295	5.7
139.11237	2.3
145.10126	7.8
147.11697	7.7
149.13277	4.6
159.11690	7.2
161.13280	10.6
161.77515	1.6
163.14838	22.1
165.12898	1.7
167.10747	2.4
170.86102	1.5
171.11774	2.3
173.13220	7.1
175.09718	1.6
175.14825	19.0
177.16405	1.7
179.10657	1.5
185.11737	14.1
185.13226	1.8
187.14761	10.1
189.16388	7.1
190.88351	1.7
199.14973	1.8
201.16417	3.4
203.17975	2.6
213.16486	2.9
215.17979	1.9
227.18073	2.3
229.19603	4.7
241.19583	2.0
243.21143	3.3
257.22650	20.4
259.24246	12.0
269.22745	1.6
271.24194	13.5
275.23877	4.5
285.22272	2.2
301.21649	4.3
303.23187	45.7
315.23236	3.4
334.00140	1.6
347.25671	3.5
379.33795	2.9
423.32968	5.1
441.33823	9.1
443.35312	14.2
469.32986	3.4
487.35950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
50.21010	1.1
50.65740	1.1
53.03951	1.4
55.05511	10.4
57.07059	2.5
63.40471	1.1
64.17287	1.1
64.17620	1.3
67.05505	18.8
69.03403	1.5
69.06727	2.2
69.07069	25.8
69.33774	10.9
71.08608	1.5
73.02903	1.7
79.05499	9.0
81.07051	35.5
83.04973	2.4
83.08618	6.7
85.06559	2.1
91.05482	11.7
93.06483	1.8
93.07042	22.8
95.04945	1.9
95.08607	61.9
97.06514	3.0
97.10173	4.6
97.45644	1.3
99.08049	1.8
101.06011	2.8
105.06404	0.9
105.07035	22.1
107.04905	1.5
107.07883	2.4
107.08589	38.4
109.06522	4.1
109.10155	47.2
111.08090	3.0
111.11725	10.1
113.05997	1.4
117.06986	3.7
119.08581	28.2
121.10137	24.6
123.08089	2.0
123.11710	22.4
125.09579	2.4
129.05452	4.5
129.06979	2.9
129.09090	2.1
131.08598	11.4
133.06490	2.6
133.10135	32.9
135.08003	3.2
135.10703	1.6
135.11700	21.1
137.09634	1.8
137.13260	10.7
139.07541	2.7
141.05450	2.1
143.08623	6.5
145.10127	17.7
146.68095	1.2
147.08026	3.5
147.11699	15.3
149.09615	2.4
149.13217	7.2
151.07556	3.4
151.11171	3.9
151.14726	1.7
155.08534	1.6
157.08882	1.3
157.10112	8.0
159.08098	1.7
159.11690	17.1
161.09587	5.3
161.13258	17.3
163.07527	1.5
163.14792	6.2
165.09123	4.7
165.12698	2.8
165.16376	3.0
169.08742	1.8
169.10121	2.8
171.11714	6.5
173.09636	2.8
173.13268	14.1
175.11221	3.7
175.14795	9.7
177.09096	2.6
177.16360	5.6
179.10701	12.2
179.14262	4.0
179.17914	10.3
181.08614	1.4
183.10176	1.5
183.11726	3.5
185.13260	6.2
187.11201	1.8
187.14818	20.4
189.09113	2.4
189.12733	4.7
189.16374	14.3
191.10709	1.8
191.14307	3.0
191.17923	6.3
195.10191	1.5
197.11726	15.9
197.13321	1.7
199.11160	2.5
199.14796	5.1
201.12692	3.0
201.16440	8.1
203.10631	1.9
203.14363	1.2
203.17976	7.3
205.19496	8.4
207.10112	3.7
207.13776	1.9
213.16356	7.9
215.14337	1.9
215.17899	3.4
217.12216	2.6
217.15779	3.0
217.19463	8.8
219.13853	1.3
221.11636	3.0
223.13333	2.2
227.18033	1.5
229.19601	3.1
231.17413	10.5
231.21086	5.3
233.15306	2.7
233.19034	2.8
235.13136	2.5
235.16953	2.4
237.14772	2.7
239.18037	1.6
241.19444	2.8
243.17506	1.8
243.21082	5.7
245.15384	2.4
245.22673	8.8
247.16890	9.5
249.18573	1.7
251.16397	1.6
255.21059	1.7
257.19577	1.5
257.22632	3.5
259.16913	3.3
263.16504	6.4
269.22635	13.4
271.24213	2.5
275.16449	1.9
275.19888	1.5
277.17987	100.0
283.24228	3.3
289.17978	20.4
297.25504	1.5
303.19440	3.5
303.22565	1.4
369.27780	3.0
377.32187	6.2
379.33591	2.3
395.33170	13.8
397.30945	4.6
413.34167	8.7
423.32581	19.7
441.33658	97.1
442.33484	1.8
443.35178	3.3
451.32382	2.0
459.34906	3.1
462.51517	1.5
469.33136	8.2
487.28488	1.2
487.34323	13.5
511.00284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
54.48040	0.8
55.01861	2.1
55.05498	1.4
56.18140	0.8
57.03430	1.8
61.02907	3.1
69.03432	12.8
69.38706	6.3
71.04981	5.2
73.02916	5.2
76.85327	0.8
79.05479	1.0
81.03423	16.0
83.04977	1.1
85.02905	64.5
87.04498	1.0
91.03968	0.8
91.05480	1.8
93.07010	1.5
97.02894	39.9
97.06519	1.7
99.04459	38.9
103.03945	67.6
105.03426	2.2
107.08568	1.5
108.04485	1.2
109.02880	21.3
115.03957	2.0
119.08543	1.2
121.10151	1.1
121.24770	0.8
123.04411	1.0
127.03919	100.0
135.08028	1.1
135.11723	0.8
145.04961	71.9
149.09541	1.8
161.06181	0.8
163.04739	1.7
163.06026	29.2
169.04985	2.8
187.05998	4.2
194.60587	0.8
199.06030	1.6
205.07082	1.7
231.10164	1.6
253.07126	1.5
255.10077	0.9
258.67712	0.9
271.08163	13.9
273.11258	2.4
280.14209	1.1
289.09216	6.6
307.10287	3.5
342.32886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53014	5.9
55.05516	28.8
57.07069	9.0
61.02917	7.8
67.05509	47.9
69.03437	10.4
69.07067	45.2
70.72432	18.4
79.05492	19.9
81.07054	71.3
83.04979	17.5
83.08628	15.9
85.02911	7.6
85.06535	9.7
87.04464	7.4
91.05473	22.0
93.07051	70.4
95.08619	100.0
97.06526	12.3
97.10194	11.5
101.06020	29.8
104.10763	24.7
105.07034	40.2
107.08599	66.5
109.10161	60.0
111.08094	7.6
111.11719	12.9
115.04018	7.8
119.08585	49.0
121.10153	95.0
123.11719	31.3
129.05508	29.6
131.08586	17.9
133.10143	52.7
135.11678	32.6
137.13223	15.3
139.11186	10.7
143.08545	10.5
145.10155	22.2
147.11708	19.3
149.13254	20.6
157.10135	15.3
159.11638	33.3
161.13268	31.3
163.14835	58.8
165.09134	8.7
171.11765	8.9
173.13298	19.1
175.14856	51.7
177.16283	8.0
185.11755	24.9
185.13283	15.5
187.14862	55.3
189.16434	36.7
191.18056	10.8
197.13274	6.7
201.16389	19.6
203.17987	11.1
213.16434	15.7
215.17955	6.4
217.19583	7.7
227.17920	36.7
229.07550	18.5
229.19496	12.6
231.21153	10.5
243.21109	9.7
247.08609	8.9
255.21046	25.1
257.22696	66.3
259.24237	25.5
269.22711	29.2
271.24161	40.6
275.23691	21.3
279.19711	11.4
283.24057	6.7
285.22058	8.3
285.25522	6.5
287.23810	10.5
291.34399	5.7
296.10104	23.3
302.60046	6.2
303.23157	72.3
315.23193	19.5
347.26007	7.2
349.16071	10.1
379.33099	7.0
423.32288	15.2
441.33658	88.6
443.35135	27.5
469.33176	11.6
487.34799	72.0
487.41254	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	487.3423
Annotation	Ceanothic acid
Peak:m/z	Relative Intensity
53.03953	2.2
55.05513	19.4
57.07062	4.0
59.30555	1.8
61.84557	1.6
66.10087	1.7
67.05503	19.6
69.06729	2.4
69.07071	28.3
69.25951	11.4
69.26356	4.7
71.08654	2.6
79.05493	11.2
81.07059	41.2
83.04975	9.9
83.08625	11.1
85.06544	4.8
87.04511	3.8
91.05475	12.6
93.07050	31.3
95.08611	77.3
97.06532	3.2
97.10176	8.1
98.21546	3.9
99.08103	3.3
101.06020	25.0
105.07047	25.5
107.08601	41.1
109.10159	49.3
111.08097	5.6
111.11720	7.2
113.09649	3.5
115.03947	2.9
117.07041	2.5
119.08583	31.9
121.06495	2.6
121.10150	81.3
123.08098	2.2
123.11724	23.9
129.05493	20.6
131.08606	9.3
133.10127	28.2
135.08073	3.4
135.11700	32.1
137.13252	16.6
139.11211	10.2
143.08583	5.0
144.09467	2.1
145.10130	17.0
147.11684	23.3
149.09615	2.0
149.13266	17.0
151.11168	2.3
153.09250	2.1
157.08659	2.3
157.10121	4.0
157.12286	3.7
159.11717	16.8
161.13263	22.8
163.11224	3.3
163.14835	43.2
165.09088	2.7
165.12820	3.7
167.10912	1.9
171.11751	5.6
173.13261	14.8
175.14836	41.3
177.12820	3.3
177.16486	4.1
179.10661	3.5
185.11758	31.7
185.13271	5.9
187.14799	23.1
189.16403	15.2
193.12260	2.5
199.14801	4.2
201.12738	2.4
201.16359	8.8
203.17964	5.6
213.16460	6.4
215.14465	2.4
215.17891	8.4
217.19513	2.3
227.17957	4.4
229.15909	1.9
229.19571	11.8
231.21127	5.3
237.15019	2.2
241.19646	6.0
243.21121	8.3
255.21002	4.6
257.22647	48.3
259.24231	29.5
265.32996	2.1
269.22742	6.5
271.24225	27.7
275.20660	2.1
275.23837	7.9
279.19727	3.0
283.24234	5.1
285.22217	5.1
285.25671	3.0
287.20056	4.6
301.21686	5.5
303.23206	100.0
315.23282	8.4
329.24860	2.3
333.24356	2.0
341.24774	2.5
347.25729	12.5
349.23834	6.5
353.32004	3.2
359.25992	4.7
371.29620	2.7
379.33655	11.1
397.30844	17.5
423.32578	8.5
441.33704	30.5
443.35257	43.3
451.32611	2.7
468.26453	2.1
469.33337	11.4
487.34213	85.1
488.34525	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	487.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.7
53.03955	10.8
54.68189	1.1
55.01862	5.0
55.05513	22.1
56.96560	1.5
57.03427	2.8
57.07067	1.6
65.03934	5.1
67.05510	73.6
67.83525	1.2
67.97480	1.2
69.03423	2.1
69.07070	14.8
71.04974	2.9
71.53867	2.0
72.65321	1.2
73.02906	1.1
73.06535	1.3
75.53808	1.2
77.03914	1.8
79.05498	100.0
81.02986	1.8
81.03425	18.9
81.07059	58.1
83.04986	18.5
83.08628	8.9
85.02892	2.3
85.06540	4.4
91.05486	76.7
93.07049	76.3
95.04971	27.1
95.08611	37.5
97.02879	2.2
97.06546	8.3
97.10171	4.6
99.08121	1.1
103.05457	2.6
105.04515	3.5
105.07040	58.8
107.04987	9.7
107.08610	24.4
109.06509	10.5
109.10159	6.2
111.08098	1.9
115.05479	2.0
116.98618	1.2
117.07020	15.4
118.98786	1.1
119.08595	35.1
121.06528	3.5
121.10150	8.4
123.08077	8.4
124.22472	1.4
127.07565	1.6
128.06244	4.2
129.07005	21.7
130.07832	1.3
131.08540	4.7
133.10146	14.1
135.08080	2.0
135.11656	2.9
137.09604	1.9
141.09151	1.9
142.14590	1.2
143.08563	12.6
145.10139	14.5
147.08029	3.7
147.11697	46.3
159.11681	2.5
161.09599	6.5
161.13283	18.3
163.11192	2.3
169.10123	2.2
171.10493	0.8
171.11696	43.2
179.14313	4.0
189.12759	17.5
207.13812	53.0
210.17871	1.5
225.14888	10.0
225.16797	1.6
250.82939	1.3
263.16403	1.9
281.17542	5.4
319.65945	1.5
325.16318	1.2
357.15536	1.5
358.16626	1.3
469.29385	2.1
487.30563	87.3
488.31296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55999	0.2
52.56304	0.2
55.78658	0.3
67.70302	0.2
67.82794	0.2
69.03432	0.4
70.06584	1.0
71.16970	0.5
78.55967	0.3
79.05495	0.4
81.03417	0.7
81.07047	0.3
85.02904	0.5
86.09705	1.0
87.10038	0.3
87.61972	0.3
93.07035	0.5
95.08665	0.3
98.97585	0.5
99.04489	0.3
105.97552	0.3
107.04955	0.3
109.02901	0.4
109.10111	0.3
112.80287	0.3
119.04974	0.4
133.10149	0.3
147.04433	0.5
163.03912	0.9
163.07449	0.3
185.04135	0.5
191.08075	1.5
192.08475	1.5
210.78384	0.3
237.63911	0.3
307.12851	0.4
308.13208	0.9
324.02469	0.6
325.03159	0.9
326.14346	0.8
355.17111	0.5
361.02444	0.8
415.15021	0.3
416.15469	0.6
417.17389	0.5
427.16388	0.3
434.16812	0.5
452.17514	1.2
487.08545	6.2
487.21487	100.0
488.09512	0.4
488.21857	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	487.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23653	0.3
50.46727	0.3
53.16696	0.4
62.06081	1.0
69.03412	0.5
69.43948	0.8
69.44364	1.6
70.06577	0.7
79.05493	0.5
85.02905	0.4
86.09694	0.7
93.07044	0.4
105.66046	0.3
107.04973	1.4
107.08611	0.3
118.47736	0.3
133.03467	0.3
137.06061	0.4
150.56377	0.3
163.03888	0.6
185.04141	0.4
203.05301	0.5
251.11261	0.5
259.07919	1.1
267.03757	0.3
269.12405	1.6
280.55814	0.3
293.12329	0.4
325.16266	1.8
335.09546	0.4
487.21539	100.0
488.22202	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2153
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
67.89640	0.4
69.62259	2.3
70.06583	0.4
84.96029	0.3
91.05481	0.7
97.02898	0.5
98.21532	0.7
117.79198	0.3
119.04943	0.7
127.03905	0.3
137.06009	0.9
145.02890	0.4
147.04425	2.6
148.04721	0.8
163.03879	2.3
215.05486	0.5
251.11102	0.6
269.12357	0.7
301.08850	0.3
325.16269	2.2
335.09381	2.4
339.01184	0.4
431.88412	0.3
461.88037	0.4
464.87909	0.5
487.21518	100.0
488.21597	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.4
55.05515	0.4
69.03424	0.6
69.07043	0.4
70.06590	1.5
71.54912	0.5
79.05486	0.4
81.03413	0.9
81.07051	0.9
85.02910	0.5
85.06559	0.4
86.09719	2.3
87.10088	0.5
91.05479	0.6
93.07034	0.7
95.08603	0.7
97.02945	0.4
98.97604	0.8
105.07039	0.7
107.04980	0.4
107.08619	0.5
110.78526	0.4
119.04978	0.7
119.08598	0.8
121.10139	0.4
127.03945	0.6
135.08096	0.7
137.06013	0.8
145.02855	0.5
147.04420	0.8
162.05586	1.1
163.03920	3.1
163.07579	0.8
163.11185	1.7
176.03687	0.4
190.05003	0.9
203.05351	0.5
226.08633	0.4
229.15463	0.6
246.59589	0.3
275.07306	0.8
303.10123	0.4
307.12369	0.4
319.83008	0.4
335.09482	9.4
351.27084	0.4
355.17337	5.7
487.21533	100.0
488.21881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1947
Annotation	Rutaevin
Peak:m/z	Relative Intensity
50.67831	0.8
53.03937	1.6
55.05505	2.5
56.96557	2.1
61.95557	0.9
67.05491	3.1
69.03423	3.1
69.07063	2.6
71.04993	1.0
71.48050	1.5
79.05497	3.7
81.03400	3.1
81.07056	9.5
83.04977	2.2
83.08628	1.4
84.96009	1.0
85.02910	5.8
85.06528	1.6
91.05472	3.4
93.07035	4.7
95.04958	1.2
95.08596	4.7
95.17903	0.9
97.02895	3.8
97.06516	1.2
97.43955	0.9
98.97591	11.5
99.04443	1.9
103.03941	2.2
105.07034	5.3
107.04960	1.5
107.08596	8.2
109.02882	2.5
109.06559	1.6
109.10161	3.6
110.97572	5.3
111.08105	1.0
116.98632	2.3
117.06979	1.6
119.05006	1.1
119.08588	3.9
121.02842	1.3
121.06538	1.0
121.10154	3.4
123.08046	1.2
123.11715	3.6
125.09640	1.4
127.03944	5.2
128.98604	3.5
131.04849	1.0
133.02811	1.0
133.10136	3.4
135.08064	7.8
135.11687	3.5
143.00137	2.5
145.02844	1.0
145.04958	2.2
145.10091	1.5
146.99677	1.0
147.04393	3.8
147.11684	1.5
149.09651	1.2
158.99658	1.0
159.11725	1.1
161.09668	1.1
163.03883	2.8
163.06085	1.0
163.07539	3.4
163.11237	1.5
165.09109	4.4
170.99622	4.6
177.00732	1.7
178.75288	1.0
181.08586	1.5
189.00703	3.1
201.00706	1.0
203.17982	1.5
221.18900	1.3
231.01831	3.4
249.02806	8.2
251.12613	1.0
259.09634	1.0
267.03729	1.1
289.25122	1.0
291.03860	6.3
349.05383	4.0
352.78293	1.0
367.14261	2.8
487.19351	100.0
487.24835	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	486.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37065	1.4
55.05521	1.9
56.14902	1.3
56.96549	4.1
57.03416	2.5
57.06824	2.2
57.07076	22.4
61.02920	3.5
64.50161	1.3
67.05489	3.6
69.03411	4.9
69.07055	5.2
71.08288	2.1
71.08639	28.1
71.57071	1.9
73.02892	2.1
73.06547	2.4
77.05006	1.3
79.05486	5.0
81.03409	3.0
81.07051	5.7
83.74239	1.6
85.02904	10.3
87.04494	1.7
89.06037	65.6
91.03954	1.8
91.05467	2.6
93.07040	3.5
95.08612	2.2
97.02871	4.8
97.06529	1.8
103.70337	1.6
105.07015	2.2
107.07060	2.5
107.08603	3.5
109.10176	1.9
113.13269	2.1
119.08591	2.2
127.03867	1.9
133.08617	18.4
133.10127	1.6
135.08017	1.3
137.06062	1.3
145.04922	1.7
150.93953	1.9
151.03885	1.4
151.09676	2.0
170.68541	1.4
177.11215	5.9
195.12289	21.6
201.18515	8.2
220.03218	1.7
269.10565	2.4
281.10620	3.9
307.24799	100.0
349.17007	2.1
367.17908	4.1
374.15903	3.5
389.59503	1.6
422.27536	1.5
486.21964	2.8
487.24817	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
55.05511	20.8
57.07063	5.8
60.89420	2.9
64.07759	3.0
67.05515	22.2
69.03415	2.9
69.07072	25.4
69.92444	9.8
69.92862	5.6
79.05483	11.0
81.07056	62.7
83.04982	12.6
83.08619	13.5
85.06534	10.0
89.06013	6.5
91.05464	16.5
93.07054	38.1
95.04952	3.5
95.08616	86.9
95.72459	2.8
97.06516	2.8
97.10157	12.4
99.08099	10.9
101.06020	29.9
105.07030	31.8
107.08598	48.6
109.06514	4.1
109.09461	5.1
109.10159	61.7
111.08105	5.1
111.11668	4.4
117.06997	5.3
119.08573	34.8
121.10145	54.0
123.08047	4.5
123.11720	40.6
129.05472	45.7
129.06970	3.4
131.08571	17.1
133.10143	51.2
135.11688	37.3
137.09668	3.3
137.13264	11.4
139.11179	3.0
142.07779	3.5
143.08571	13.1
145.10120	30.7
147.07974	4.6
147.11684	20.4
149.13261	18.9
152.93889	2.6
155.08548	3.0
157.09026	3.2
157.10136	22.4
159.11720	33.3
161.09607	4.0
161.13283	12.5
168.95714	3.9
169.10124	6.4
170.10876	4.1
171.11716	20.2
172.12424	3.4
173.13287	23.1
174.14015	3.2
175.11192	3.8
175.14819	8.8
179.10585	3.2
183.10204	4.7
183.11703	5.7
185.11777	4.4
185.13293	13.3
186.96820	6.3
187.14793	17.5
189.16417	4.0
193.12236	4.0
197.11710	3.2
197.13310	7.2
199.11266	3.0
199.14850	11.1
201.16406	7.7
203.17897	5.1
205.19537	4.3
211.13205	4.5
213.16389	8.6
215.17926	8.6
217.12370	3.2
217.19571	2.9
225.16417	8.5
227.17960	11.9
229.19493	31.0
237.16435	3.6
239.17940	9.9
241.19540	22.0
243.21092	8.4
253.19589	6.9
255.21121	12.7
257.22614	21.6
267.21069	8.2
269.22708	8.5
281.22702	8.1
283.24249	6.9
285.18518	3.2
289.18118	3.6
295.24173	19.2
296.25085	4.7
297.25751	10.0
301.18259	4.0
301.21664	7.7
303.19522	5.7
311.27307	13.3
313.28851	14.9
317.17868	7.0
331.23013	3.4
335.18857	4.4
343.22693	11.8
345.24240	13.7
357.24158	8.9
357.27850	6.4
358.25046	4.5
359.25787	14.5
369.24420	3.7
371.25888	10.2
375.30759	3.9
377.32065	10.9
377.87054	3.0
393.31747	4.4
395.29352	11.6
403.24817	3.8
403.29947	2.9
421.30869	21.4
426.31076	3.6
439.26404	5.3
439.32166	79.9
441.33655	93.4
449.30588	9.3
467.31689	16.8
471.18161	4.7
485.32663	100.0
486.32962	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	486.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
53.64878	1.4
55.01881	1.8
55.05508	2.5
56.96548	2.1
57.03419	5.7
64.16211	1.6
65.03936	1.8
67.05498	2.1
69.03436	12.1
69.07067	2.6
70.81522	4.0
71.04993	2.3
75.04481	8.2
76.07690	1.8
79.05493	15.9
81.03426	12.7
81.07045	10.2
83.04964	2.1
85.02911	13.2
87.04476	1.9
89.03918	4.2
91.05475	11.0
93.07044	80.3
95.04957	2.1
95.08595	4.3
97.02889	8.7
97.06519	3.9
99.04440	3.1
103.05470	1.9
105.03361	4.2
105.07023	7.4
107.04944	8.1
107.08589	20.1
109.02876	5.9
111.04434	2.6
111.08060	6.4
116.07089	6.2
116.10746	2.3
117.03380	14.1
117.07020	1.9
118.08641	2.4
119.04912	2.4
119.08586	10.3
121.02863	5.5
121.06470	3.2
121.10149	77.9
123.08057	2.0
123.11665	2.9
123.66068	1.7
127.03931	10.2
131.04898	2.6
131.08492	2.2
133.10147	3.2
135.04373	2.8
135.08043	2.3
139.11162	4.2
145.02852	42.4
145.04848	2.6
145.10216	1.9
145.26923	1.7
147.04425	14.4
149.05965	7.2
149.09645	13.9
153.05466	9.3
160.07582	5.4
163.03873	8.5
167.10690	30.7
177.05473	100.0
191.03375	50.5
191.07036	4.2
193.08548	2.1
195.06473	2.3
231.06491	2.6
250.09161	1.7
259.09592	4.5
289.14301	3.1
293.13867	5.0
311.14981	14.0
321.09741	3.3
329.15839	2.9
335.07471	3.8
339.10596	9.1
353.08722	15.1
486.24792	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	485.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
54.98870	1.4
55.01867	5.9
55.05512	35.4
56.96553	2.7
57.03423	4.4
57.07073	8.5
59.04987	3.0
65.03928	4.5
66.53704	1.5
67.05505	32.7
69.03426	21.0
69.07069	40.1
71.01344	1.7
71.04990	8.5
71.08614	1.3
71.57214	2.2
73.02901	1.7
78.21423	1.4
79.05492	25.1
81.03423	22.7
81.07056	100.0
81.11962	1.3
82.07399	1.6
83.04991	9.3
83.08633	13.4
85.02896	12.1
85.06537	11.2
91.05481	23.3
93.06477	2.8
93.07048	51.2
95.04981	14.1
95.08607	69.9
97.02866	8.4
97.06528	11.1
97.10172	37.2
98.97585	7.1
99.04445	5.0
99.08067	5.0
101.06026	2.0
105.03395	26.4
105.07034	32.2
106.03724	2.2
107.04942	9.1
107.08598	45.8
109.02876	13.9
109.06538	7.4
109.10157	42.4
110.10545	1.7
111.04433	6.7
111.08096	16.6
111.11712	6.0
115.03951	1.5
115.05332	2.0
116.98612	2.5
117.07017	6.3
119.04930	2.3
119.07799	2.5
119.08584	29.6
121.02863	30.4
121.06458	4.0
121.09320	2.7
121.10143	36.6
123.04445	2.4
123.08055	6.5
123.11715	36.1
125.02377	1.4
125.09600	10.0
126.62552	1.5
127.03932	15.4
127.11184	3.0
128.06195	2.4
129.05479	1.9
129.06979	4.6
131.08569	9.6
133.10138	25.0
135.04411	10.0
135.08081	4.5
135.11685	21.2
136.04790	3.3
136.12036	1.7
137.06033	3.4
137.09607	5.8
137.13255	10.4
139.03915	3.9
139.07530	1.5
139.11195	13.2
141.06921	3.1
143.08554	4.9
143.10667	5.6
145.04959	3.1
145.10104	15.4
147.04413	3.8
147.08037	4.1
147.11685	19.8
149.09607	5.4
149.13260	22.8
149.40353	1.5
151.07535	2.8
151.11180	6.6
151.14764	3.0
153.05440	2.5
153.12726	6.6
155.08533	3.0
156.09402	2.1
157.10110	4.8
157.12224	5.3
158.10933	1.6
158.99692	2.0
159.08072	2.9
159.11723	9.8
161.09622	9.0
161.13283	13.0
163.07584	2.1
163.11223	8.8
163.14822	8.6
165.09108	3.0
165.12785	4.4
169.10155	3.7
171.08069	3.2
171.10242	2.5
171.11688	5.3
173.09608	5.6
173.13217	7.8
175.07458	1.9
175.11142	4.5
175.14801	6.2
177.05505	2.1
177.09146	1.7
177.12737	2.2
177.16409	5.1
179.10649	1.8
179.14301	4.0
183.11717	2.6
183.13853	2.0
185.13205	4.3
187.11226	2.8
187.14769	7.0
189.09120	3.6
189.11116	1.8
189.12796	2.4
189.16422	8.3
191.10606	2.4
191.14349	2.6
193.15862	2.9
195.11649	2.9
197.01129	2.0
199.14857	2.2
201.16415	4.1
203.12633	2.6
203.14415	2.1
203.17921	4.1
205.15866	2.3
207.10179	2.3
207.13737	2.1
207.17520	1.7
209.15370	2.7
213.12743	4.3
213.16396	3.0
217.15822	2.0
219.17310	2.0
221.18967	3.3
223.14903	2.0
223.16884	3.6
227.14326	2.7
231.17479	2.3
233.15524	2.0
235.17084	1.6
243.13980	1.8
249.18500	3.7
257.18973	1.6
259.24118	2.2
261.18539	1.8
269.12228	1.5
269.22641	5.1
275.23605	1.6
277.25241	5.1
287.23688	6.6
293.24673	5.1
305.24765	24.0
307.26254	2.4
319.15662	4.1
323.25790	8.7
329.21069	2.0
329.24707	1.8
351.14258	2.3
351.25247	2.7
359.25589	3.0
363.25128	2.1
365.15671	9.6
367.17694	2.3
371.25803	2.3
389.26733	5.9
395.25647	3.3
413.26666	13.0
419.28229	1.7
431.27786	20.9
437.29031	2.3
449.28836	24.5
467.29877	13.4
485.17303	3.3
485.23572	6.6
485.30743	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	485.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.1
51.02376	0.1
53.03934	0.1
55.01873	0.2
55.05262	0.1
55.05512	0.9
57.03436	0.7
57.07075	1.6
61.02906	0.1
63.02343	0.1
65.03941	1.1
65.84549	0.1
67.05513	0.6
69.03429	0.7
69.07072	0.8
69.32126	0.4
69.32530	0.1
71.01340	0.1
71.04993	0.4
71.08632	0.2
72.54159	0.1
73.02911	0.3
77.03889	0.1
78.04711	0.4
79.05489	1.6
81.03416	0.6
81.07056	1.2
83.04980	0.5
83.08626	0.4
84.16536	0.1
85.02898	0.7
85.06545	1.4
85.10172	0.1
87.04462	0.1
87.08103	0.1
87.28125	0.1
91.05481	46.1
92.05817	0.2
93.07040	0.9
95.04971	0.2
95.08604	0.5
97.02889	0.2
97.06517	0.2
97.10212	0.1
98.98481	0.3
99.04447	0.2
99.08091	0.2
103.03922	0.1
103.05476	0.6
103.07571	0.1
104.06248	3.5
105.07031	9.0
107.08624	0.3
109.06521	0.5
109.10122	0.1
111.04417	0.2
111.08086	1.4
115.03923	0.2
115.05486	0.1
115.07561	0.1
117.05508	0.1
117.07037	0.5
118.07810	0.2
121.10108	0.1
123.08051	0.6
125.09612	0.3
127.07557	1.1
129.05431	0.1
129.07051	0.1
129.09120	0.2
131.08560	0.6
132.08139	0.1
133.10129	100.0
134.10463	0.7
135.08038	0.2
137.09651	0.1
139.07530	0.1
141.09091	0.2
145.08577	0.1
147.08054	3.0
147.09148	0.2
149.09622	3.6
150.12697	0.1
151.07529	0.1
153.09113	1.1
155.01021	0.2
155.10707	0.1
159.11659	0.1
165.09059	0.1
169.08609	0.2
171.10173	1.9
171.11612	0.1
189.11229	1.3
189.12729	0.1
196.52669	0.1
197.45599	0.1
199.29431	0.1
221.76944	0.1
222.87448	0.1
313.27383	1.3
333.17053	0.1
351.18060	0.1
371.44785	0.1
485.28888	0.2
506.22656	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	485.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02303	4.1
54.29059	4.2
54.67696	4.8
55.01891	4.5
55.05520	26.5
56.96547	8.5
57.03427	7.6
57.07064	15.2
61.02935	5.6
65.77324	4.0
67.05503	39.6
69.03432	13.3
69.07072	38.6
70.79550	11.2
71.04977	7.2
71.08621	4.7
77.59780	4.4
79.05072	4.6
79.05486	25.4
81.07056	67.4
83.04974	6.7
83.08613	17.1
85.02920	6.0
85.06543	44.6
91.05475	30.9
93.07043	60.8
95.04985	9.3
95.08610	65.1
97.06534	9.8
97.10208	5.5
97.72915	5.4
99.08111	21.4
100.05908	4.4
105.07045	54.6
107.08605	72.6
109.06528	24.7
109.10165	29.4
111.08076	10.6
113.09645	44.4
117.07001	16.1
119.07799	9.2
119.08588	97.5
121.10143	53.3
123.08093	10.3
123.11716	19.3
125.09639	10.2
127.07565	9.7
128.06221	4.8
129.07007	17.0
131.08556	41.1
133.10136	74.6
135.08012	8.3
135.11703	23.8
137.09628	6.2
137.13226	5.9
139.11137	9.4
141.07022	5.7
142.07808	6.5
143.08578	49.7
144.09340	7.3
145.10130	63.5
146.56966	4.8
146.58191	4.5
147.08058	4.7
147.11717	47.6
149.09641	7.8
149.13243	16.5
151.07497	5.6
151.11205	7.3
155.07051	14.6
155.08562	11.2
156.09280	8.6
157.10158	51.0
159.11699	79.1
161.09616	9.8
161.13280	18.3
163.11172	53.7
163.14851	14.6
165.12689	11.9
169.08815	6.5
169.10077	28.3
171.11687	42.8
173.09621	6.4
173.13278	65.7
175.11264	8.4
175.14799	15.6
177.12766	14.1
179.10611	5.5
181.08630	5.9
181.10156	12.7
182.10980	5.4
183.11671	55.9
184.12558	5.0
185.13258	42.7
187.11136	5.9
187.14879	19.0
189.12758	13.9
189.16399	10.5
191.14308	9.8
193.15913	6.2
195.11710	20.7
197.13243	45.6
199.14847	27.9
201.12733	8.8
201.16365	7.9
203.14374	8.4
205.15932	11.0
207.11726	8.3
208.12614	6.6
209.13258	23.2
209.15404	13.4
210.13959	5.6
211.14816	40.1
213.16406	21.0
215.14299	12.5
215.17984	6.7
217.15938	18.0
219.13860	4.7
221.13284	8.4
221.15402	13.5
223.14818	24.9
225.16409	30.2
227.14374	5.2
227.18008	9.3
229.15842	7.1
231.17458	8.8
235.14922	5.6
237.16483	31.6
239.17999	13.9
241.15857	10.3
241.19557	9.2
243.17421	29.4
249.16541	7.8
251.17989	17.1
253.19510	12.7
255.17470	13.5
257.18967	9.4
263.16287	8.4
265.19595	13.2
267.09015	7.6
267.17279	6.0
267.21112	10.2
269.18964	12.6
271.16870	8.3
271.20572	13.6
275.16486	16.2
277.19336	6.9
279.21100	13.3
281.10699	6.7
281.19012	9.3
283.20474	8.9
285.18472	5.8
287.16315	9.3
291.21075	12.9
293.19464	5.8
293.22488	21.8
295.20670	13.7
297.18942	7.2
297.22006	27.6
305.22348	5.0
307.20441	7.8
309.22134	10.2
311.20438	7.6
311.23718	52.2
315.19446	11.5
321.21899	8.5
322.11819	9.0
349.25412	17.0
351.26730	34.9
353.24667	10.6
355.22525	9.3
357.24405	10.6
359.27319	11.3
367.26303	29.4
367.30148	12.0
375.26709	13.2
377.28436	83.7
381.24326	6.5
387.27112	5.9
393.27866	20.1
395.25674	70.4
395.29630	55.6
399.25360	24.1
405.28000	25.4
411.28922	18.6
421.27356	37.9
423.29016	64.8
439.28415	100.0
441.30029	80.0
449.26721	8.1
450.04901	5.5
457.29391	11.3
467.27713	40.4
485.28549	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.8
68.11868	0.1
69.03404	0.2
70.33011	0.4
70.33376	0.2
81.03416	0.7
81.07036	0.2
85.02919	0.4
89.36378	0.1
91.05483	7.8
95.04986	0.1
99.04469	0.2
107.04981	0.2
108.83691	0.1
109.02889	0.2
119.04949	19.3
120.05237	0.1
127.03934	0.3
147.04414	100.0
148.04764	0.8
152.11131	0.1
165.05516	1.3
215.92834	0.1
241.73067	0.1
287.09210	0.2
291.08636	0.7
309.09653	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
53.30593	0.4
55.01873	0.8
55.05503	0.5
61.02925	1.7
69.03430	12.9
69.07064	0.7
71.04991	1.8
77.03922	1.0
79.05495	6.1
81.03417	5.8
81.07046	1.2
83.01337	0.7
85.02908	13.6
86.09679	0.7
90.30042	0.4
91.05465	1.1
93.03423	0.4
93.07053	2.1
95.04982	1.8
95.08620	1.1
96.93432	0.4
97.02898	14.1
97.10171	0.9
99.04458	6.3
104.10769	0.6
105.03421	0.8
105.04537	0.6
105.07011	1.1
107.04960	100.0
107.08616	1.2
109.02885	44.0
109.05251	3.6
109.10144	0.8
110.06042	4.2
115.03941	0.6
116.07105	0.6
119.08578	0.7
121.02871	0.8
121.10168	2.1
122.06036	3.3
124.99990	0.4
127.03926	27.2
131.04996	0.6
131.08543	0.5
139.03868	3.0
145.04962	7.0
145.10141	0.5
147.04428	3.4
149.09692	0.9
161.09622	0.5
169.04976	6.9
177.05556	0.5
184.07323	2.8
187.06017	8.4
195.26639	0.4
205.07083	47.3
215.09421	1.1
216.10193	6.3
322.14349	0.7
378.15512	1.3
484.19406	0.9
488.47952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05502	1.0
55.84300	0.4
57.03440	0.6
61.02914	0.5
65.03942	1.0
67.05504	0.8
69.03427	3.2
69.07064	0.6
71.04995	1.1
71.54948	0.6
72.08154	1.3
73.02924	0.7
77.03937	0.6
78.56889	0.3
79.05502	3.7
81.03427	1.8
81.07059	1.4
82.07369	0.6
83.08604	0.5
85.02914	7.9
86.09703	0.8
86.82433	0.4
91.05462	1.0
92.05007	2.8
93.03384	0.4
93.07056	1.1
95.04977	1.3
95.08607	1.0
96.08942	0.4
97.02909	2.8
97.10159	1.6
98.10484	0.5
98.97590	0.4
99.04462	0.8
104.10776	0.8
105.03423	1.8
105.04514	0.8
105.07026	0.6
106.06541	0.4
107.04964	37.3
107.08576	1.0
108.05255	0.3
108.09007	0.4
109.02894	1.2
109.05276	3.3
109.10163	1.1
110.06049	100.0
111.04443	0.6
111.06371	0.5
111.08108	0.4
119.04975	0.9
119.08572	0.9
120.04466	0.4
121.10207	0.5
122.06036	5.2
122.09667	0.5
123.08109	0.4
123.11715	0.4
127.03929	2.8
134.06004	2.6
145.04990	1.4
146.06020	1.4
147.04382	3.1
149.13277	0.4
152.07056	1.5
161.09712	0.4
165.09221	0.4
174.05551	1.3
176.07088	0.8
177.09186	0.4
184.07358	0.8
201.11224	0.7
213.09071	0.4
214.08611	0.7
215.09433	0.5
216.10214	23.4
236.09172	0.7
254.10258	1.4
267.08527	0.4
272.11310	24.3
288.13919	0.5
300.08676	0.7
322.14453	2.8
327.86026	0.4
360.14359	0.4
378.15494	22.5
379.15848	0.5
448.27814	0.5
466.29083	1.1
484.19324	6.9
484.27081	0.4
484.29538	0.3
491.85318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.2
56.96556	0.5
67.04242	0.9
69.03425	0.7
69.78769	0.8
71.04977	0.2
79.05500	0.2
80.05025	0.3
81.03405	0.2
82.06580	16.4
83.07351	0.4
85.02898	0.6
85.58727	0.2
91.05455	0.2
97.02854	0.2
98.21454	0.2
98.97603	0.5
100.06993	0.3
100.07619	4.9
101.06990	0.2
107.04935	0.3
108.59597	0.1
110.06055	0.2
123.04435	0.5
127.03939	0.3
128.07080	100.0
129.07391	0.4
139.03880	0.2
163.03940	0.7
167.49409	0.2
172.07674	0.2
190.08702	0.2
193.05263	0.2
304.13724	0.2
321.10120	0.3
322.10760	0.9
322.16495	8.6
339.11154	0.4
340.11584	0.7
364.11520	0.4
484.15051	1.6
484.22748	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95003	1.2
55.05497	4.1
57.03447	8.2
57.07080	25.5
66.48618	1.2
67.05503	6.7
69.07079	7.1
70.58603	3.4
71.08636	20.9
79.05474	1.5
81.07063	10.8
83.08633	7.1
85.10188	9.8
88.97409	1.2
89.06015	3.8
93.07030	1.5
93.56760	1.3
95.08611	9.2
96.38544	1.2
97.10162	3.6
98.98463	8.5
103.07565	1.4
107.08620	1.7
109.10162	6.9
111.11728	1.4
121.06496	1.6
121.10153	2.4
123.11678	1.9
133.10129	1.5
155.01050	3.5
165.09154	1.2
173.01999	1.5
188.31622	1.2
202.14462	1.2
239.23758	1.6
246.77721	1.1
302.08203	1.2
313.27380	100.0
354.98456	1.4
449.26657	2.6
485.28247	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	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.6
57.03445	7.5
57.07081	9.9
67.05521	3.5
69.07074	25.4
70.78380	1.1
70.78705	0.9
71.08634	5.5
77.47295	0.7
79.05482	2.0
81.07069	3.2
83.08150	1.3
83.08622	18.1
85.10160	1.6
87.02749	0.7
93.07040	2.8
95.08591	2.9
95.77532	0.8
97.06543	2.2
97.10175	12.7
98.97961	0.9
98.98476	8.3
107.08609	1.5
109.10155	0.9
111.08055	1.0
111.11705	2.9
121.10120	1.9
135.11687	1.6
141.40060	0.7
149.13280	0.9
155.01035	3.7
220.65370	0.7
247.05730	0.9
302.62387	0.7
311.25815	100.0
312.26129	1.2
447.25217	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	483.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.32458	0.5
53.40711	0.5
55.01867	0.6
55.05504	0.8
56.73442	0.4
56.96552	0.9
57.03446	1.1
61.02920	1.7
67.05495	1.9
67.90050	0.5
69.03092	0.5
69.03429	5.8
70.90591	0.9
71.04990	0.5
71.89375	0.4
73.02940	0.9
79.05486	1.0
81.03419	1.6
83.04980	1.0
85.02906	8.4
86.88995	0.5
87.04452	1.0
91.03967	0.5
93.07034	0.9
94.06563	3.3
95.04943	0.8
95.07330	0.8
96.08112	2.4
97.02905	4.0
98.06036	1.9
98.97588	1.3
99.04417	0.6
107.07333	0.7
108.08095	2.0
109.02891	1.3
110.06055	3.7
110.09686	6.0
111.04430	1.0
118.06531	1.4
118.64539	0.5
120.08098	3.4
122.06020	2.4
123.06841	0.9
124.07592	1.0
126.05558	0.8
127.03918	1.7
134.06020	0.6
136.07608	1.3
137.08354	1.0
138.05539	3.8
138.09145	24.5
139.03934	4.0
144.08113	1.2
145.05046	0.8
146.06068	2.9
148.07547	2.2
156.06564	17.1
160.11269	0.6
166.08646	34.1
167.07004	1.0
181.08856	0.6
184.11191	1.4
188.07053	5.6
188.10661	1.5
194.09705	0.9
195.09241	0.6
196.09877	2.8
197.10727	1.1
202.08672	0.7
202.12239	1.0
205.09743	1.9
206.08398	7.8
206.11560	0.5
210.11476	0.9
211.12308	4.2
212.10843	0.6
213.10246	2.0
214.08612	1.5
215.09457	0.9
216.10281	2.9
217.92957	0.6
219.01862	0.6
220.09956	1.7
221.10709	4.1
222.36040	0.5
223.08694	2.1
224.09430	3.6
225.10268	0.9
226.11050	1.4
227.08191	2.2
230.11786	2.3
232.09741	1.5
233.10425	1.4
234.11299	3.9
237.10262	1.3
238.11061	3.5
239.08202	1.2
239.11815	10.2
240.10268	0.9
241.09630	3.6
243.11316	0.8
244.09798	0.7
248.12918	1.0
252.08987	0.8
254.10556	1.2
255.11353	0.8
257.12863	2.1
258.11273	4.8
262.10788	5.8
267.11285	27.5
268.11612	0.6
271.10760	2.7
272.11548	8.5
275.13947	1.1
276.12350	8.0
285.12347	18.7
290.12549	3.6
303.10663	0.3
303.13385	19.5
304.11816	8.2
321.14456	100.0
339.11066	1.0
374.95474	0.6
409.32645	0.5
483.14847	2.0
483.20386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
56.96568	5.0
57.03427	1.3
60.70760	0.6
61.02905	2.1
67.05486	0.9
69.03436	4.4
71.04967	1.2
71.56139	0.6
73.02931	0.8
74.12251	0.6
81.03400	2.4
81.07065	0.6
84.96059	0.8
85.02906	10.1
87.04472	1.3
91.05468	1.0
91.12973	0.6
94.06570	0.9
97.02897	4.2
98.97565	2.9
99.04450	1.4
107.04940	3.4
108.08053	0.6
109.02883	1.2
110.06055	0.6
114.68936	0.6
116.98637	1.6
119.04961	1.2
120.08081	1.3
122.06079	1.1
123.04420	1.9
127.03923	4.0
128.07054	2.5
135.04477	0.8
137.02312	0.8
139.03899	1.1
140.06898	0.6
147.04393	2.5
154.08675	0.8
158.99669	1.0
163.03896	3.6
164.07054	0.8
165.28044	0.8
166.08629	0.9
167.07089	2.0
179.15463	0.6
181.08916	1.2
182.09705	0.9
183.09148	1.3
184.11214	1.4
185.07072	0.7
188.60609	0.6
193.05197	1.1
194.09657	1.3
195.09193	1.8
196.09956	8.9
196.11531	0.9
197.10655	2.9
198.07768	0.9
206.08392	16.7
209.07071	2.1
209.10655	1.1
211.06508	1.1
211.08789	1.1
211.12292	8.8
212.09302	0.6
213.06654	0.7
215.01544	1.2
219.01712	0.8
220.10031	4.0
221.10725	9.0
223.08673	4.3
224.09406	7.6
225.10243	0.9
226.10976	1.3
227.08121	2.7
227.11813	1.4
229.07520	0.7
237.08093	0.7
237.10165	3.1
238.11038	6.6
239.08041	1.6
239.11790	25.1
241.09752	2.0
252.08853	1.3
254.10536	0.9
257.12820	4.1
267.11285	52.1
272.11557	5.3
275.13730	0.8
277.11157	1.0
285.12341	56.8
286.12674	0.9
287.13849	1.0
291.08923	1.7
295.12357	1.1
303.13388	100.0
321.10117	11.8
321.14407	5.6
339.11142	10.6
344.64374	0.7
363.11102	5.0
381.12549	0.7
405.14291	1.1
465.18610	1.7
483.15390	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
56.96564	14.2
57.03447	3.5
61.02922	3.4
69.03120	1.6
69.03437	13.4
69.39219	11.0
70.98112	3.5
73.02918	4.1
79.38505	1.5
81.03423	3.9
82.99862	2.6
84.04509	1.7
84.96040	2.5
85.02908	22.2
85.06525	1.7
85.10439	1.3
87.04469	2.3
91.03990	2.0
91.05480	1.7
97.02883	15.0
98.20771	3.2
98.97588	39.1
101.00887	14.5
105.03407	2.3
107.04950	7.6
109.02872	3.0
110.97564	9.2
112.99159	2.6
113.00861	4.0
115.04003	1.6
116.98619	15.0
119.01921	20.4
119.04940	1.5
121.06513	2.7
124.99075	1.9
127.02418	3.7
127.03888	11.0
128.97829	1.5
128.98575	8.8
129.05513	1.8
131.00148	2.5
131.01903	11.6
133.03487	2.5
134.99719	1.6
137.05981	3.1
139.02350	1.7
139.03917	3.4
143.00180	3.4
143.01906	26.8
145.01714	1.6
145.03474	11.5
145.04930	6.0
146.99628	5.6
147.04361	3.6
149.03029	1.9
149.05984	4.7
155.01895	28.7
157.03482	5.9
158.99673	12.8
159.01003	1.8
161.01460	2.9
161.02965	23.0
167.01883	10.1
169.03476	4.6
170.99678	3.6
171.05061	4.6
173.01413	3.0
173.02959	40.0
174.99185	3.5
177.00713	9.5
177.02449	4.1
179.01938	4.5
182.99840	1.9
183.01456	3.1
183.05034	2.0
185.01387	2.6
185.02957	48.7
187.02885	1.6
187.04549	5.3
189.00667	4.5
190.98631	2.5
191.02310	2.1
191.03911	4.0
193.00211	4.4
193.01825	2.9
193.04401	7.1
197.02988	17.0
199.04520	2.5
201.00708	6.6
201.02446	62.6
202.04904	3.7
203.02232	2.5
203.03952	13.8
205.00136	4.3
205.03833	2.8
208.04553	2.3
209.02971	4.3
211.02806	3.1
213.02411	10.7
214.98558	1.7
215.04071	7.4
219.01718	16.3
219.03542	89.0
220.04013	1.5
221.03114	2.2
221.05064	5.0
223.02835	3.4
225.02562	2.1
227.04051	13.4
231.03522	11.3
232.99576	1.7
237.02747	17.6
239.04076	2.2
242.05165	2.1
245.05084	100.0
246.05254	2.3
249.04503	9.5
255.03505	5.2
257.05038	6.0
261.02213	2.6
261.04871	14.3
263.06100	11.7
265.04202	1.5
265.06570	9.2
265.56821	3.2
274.07010	18.4
274.57358	3.1
275.06158	12.7
277.06012	3.1
279.05539	5.8
281.01587	2.0
283.07654	12.2
283.57523	2.0
285.04572	2.7
293.07098	3.3
295.07034	4.8
303.05603	31.7
305.07233	12.2
309.08844	2.0
317.07251	1.7
321.06683	42.2
321.09555	1.7
335.08240	4.6
337.09793	3.4
349.08157	3.3
353.11273	2.4
363.07565	1.9
364.10269	4.2
365.09253	10.0
377.00305	2.2
385.07968	3.2
391.01923	3.2
409.02899	1.7
423.04459	1.6
423.13574	2.6
483.05545	3.6
483.11978	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
56.96561	6.9
61.02904	1.9
69.03415	6.1
69.82857	6.7
73.02914	2.3
81.03414	2.4
82.99844	2.6
84.96022	1.6
85.02901	11.2
94.99888	1.6
97.02902	6.8
98.97585	15.1
101.00885	19.4
109.02859	2.5
110.97565	3.5
112.99106	2.0
113.00870	5.5
115.02423	1.7
116.98614	4.8
119.01920	17.0
119.08544	1.6
127.02393	5.8
127.03912	3.8
128.98610	3.9
131.00226	1.9
131.01907	11.7
133.03487	4.4
137.00845	1.5
139.02425	2.0
143.00200	2.0
143.01898	29.1
145.03455	14.2
145.04968	3.3
146.99648	3.0
147.01427	2.3
153.03909	1.5
154.43141	1.4
155.01891	30.1
157.03477	8.8
158.99706	5.5
159.03209	1.6
161.02963	18.4
167.01898	14.9
169.03464	6.1
169.04794	1.6
170.95975	2.0
170.99597	3.3
171.05046	2.4
173.01440	2.3
173.02971	36.3
175.04582	2.8
177.02455	5.8
179.01904	5.1
181.03418	2.2
183.01424	4.0
183.04997	2.2
185.02956	47.6
185.04605	2.5
187.04526	7.3
189.00708	2.3
189.04308	1.7
191.02167	2.5
191.03845	2.8
197.02948	17.1
199.04477	3.1
201.00780	3.6
201.02446	71.9
203.04013	15.7
203.38138	1.7
208.04645	1.6
209.03082	2.4
213.02457	15.7
215.03986	8.6
216.01440	1.6
217.00191	1.6
219.01831	5.7
219.03526	79.5
221.03014	1.5
221.04997	2.4
224.04414	1.5
225.02391	3.0
227.03966	11.9
231.03532	10.3
231.07162	1.9
237.02585	5.4
242.05069	2.5
243.03600	3.3
245.05084	100.0
247.01482	1.5
249.04515	6.6
255.03520	3.9
257.05087	6.4
261.04684	15.6
263.06189	9.7
267.03421	1.5
275.06259	12.5
277.02252	1.7
279.05609	5.3
281.01743	1.8
281.07095	2.0
285.04483	1.7
293.07214	2.7
303.02087	2.1
303.05603	36.1
303.13361	3.0
305.07263	10.1
321.06717	47.8
321.10327	2.8
322.06641	2.3
335.08218	5.6
352.20456	1.5
365.09396	10.9
403.07465	1.6
483.11768	42.2
483.18323	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	483.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
56.96567	46.3
57.03433	2.1
61.02923	1.7
69.03426	8.2
69.37994	5.8
70.98127	14.3
71.05006	1.0
71.95261	2.4
73.02927	1.2
74.97612	2.1
81.03408	3.3
83.04993	1.0
84.96030	10.2
85.02914	12.5
87.04455	1.7
88.99168	7.4
91.03957	0.8
97.02900	9.8
98.97588	100.0
99.04446	1.5
100.99140	2.1
101.00871	1.2
102.96951	1.7
103.02487	0.8
107.00161	1.6
107.04958	2.1
109.02845	1.8
110.97572	22.5
112.99136	22.6
115.00677	1.5
115.02412	0.7
116.07107	0.9
116.98625	31.5
116.99460	1.6
119.00187	2.0
119.01914	2.3
123.05532	0.8
124.95477	4.7
124.96265	0.7
124.99162	2.1
126.97068	2.3
127.00665	3.0
127.03957	3.6
128.02335	0.9
128.98615	28.8
129.02208	0.9
131.00175	24.8
131.01888	3.0
133.01732	6.1
133.03423	1.8
134.99658	6.8
136.06186	1.8
136.38162	0.8
136.99220	1.0
137.05980	1.8
137.79559	0.7
140.00192	1.2
140.02344	0.8
140.98604	5.7
142.96553	5.7
143.00192	8.5
143.01918	2.1
144.98097	4.6
145.01721	3.3
145.03474	1.8
145.04979	2.0
146.99655	24.4
147.01360	1.0
147.04195	0.8
147.98630	1.5
149.01237	9.0
149.05962	1.8
151.02776	2.6
152.94965	1.0
152.98596	4.3
153.04140	0.8
154.96521	5.8
155.00197	2.2
155.01903	2.4
156.98077	3.5
157.01678	3.6
157.03464	1.2
158.99678	26.4
159.03300	1.3
159.05020	0.9
160.03900	1.2
160.97591	2.0
161.01245	8.1
161.02985	1.7
161.05562	1.1
161.55704	0.8
162.99167	2.9
163.02779	4.2
163.04131	1.0
165.00726	11.0
167.02206	1.5
168.03656	1.3
168.98116	1.2
169.04428	2.5
170.01677	1.0
170.05219	0.9
170.96040	5.1
170.99690	10.8
171.04976	1.7
172.94344	1.1
172.97600	15.1
173.01248	9.2
173.02982	2.3
174.99158	8.1
175.02824	9.4
175.04298	1.3
175.99945	0.7
177.00713	17.3
177.04298	2.6
177.06046	0.8
178.04939	3.1
179.02309	2.4
181.03714	1.2
182.99620	1.9
184.97556	4.7
185.01262	2.3
185.02954	2.0
186.99176	7.0
187.02789	3.4
187.04483	1.7
188.97102	10.0
188.98927	1.7
189.00713	21.9
189.06003	1.3
190.98642	16.5
191.02287	4.7
193.00192	7.8
193.03868	7.5
195.01831	1.0
197.03033	1.4
198.99139	1.0
199.02818	2.7
199.04536	1.0
200.02238	0.9
201.00682	11.5
201.02419	0.7
201.04298	1.6
201.06003	1.3
202.98654	8.0
203.02199	1.5
203.04025	2.4
203.55505	0.8
205.00211	11.2
205.02008	1.8
205.03949	2.6
206.02855	1.5
206.98322	3.9
207.01762	11.8
208.99605	1.6
209.01353	1.5
210.99313	1.2
211.01299	0.8
211.04880	3.5
212.97177	1.4
214.98616	12.7
215.02136	0.9
215.98842	0.9
216.05554	0.9
217.00293	4.6
217.03868	4.4
217.05717	1.0
219.01775	58.7
220.99828	4.3
221.05109	2.2
223.01352	3.4
223.04845	1.5
225.02740	1.2
227.02518	1.0
229.00325	1.4
229.03880	2.3
230.98164	5.6
231.07188	1.1
232.02602	1.0
232.96257	0.9
232.99745	13.3
233.03339	1.6
235.01312	3.0
235.04890	2.3
237.02831	63.4
238.03133	1.1
240.02379	1.0
241.00323	1.5
242.98199	1.8
243.07353	0.8
244.99692	5.0
245.05083	3.6
247.01201	3.9
247.04988	1.6
248.99290	4.5
249.02808	3.9
255.03951	2.7
257.05127	0.9
257.98557	1.2
258.97803	0.9
259.01291	1.5
260.99298	2.5
261.02847	2.8
263.00797	14.1
263.04425	2.3
265.02390	2.0
265.06516	2.2
267.00098	1.4
268.06403	1.1
270.97754	2.1
272.99200	1.5
273.08185	1.4
274.07071	2.4
275.00842	4.9
275.04141	4.8
277.02460	3.6
277.05911	22.9
277.09018	0.8
279.03833	3.6
279.09259	0.9
281.01828	20.4
281.05130	1.4
283.07507	2.9
287.99994	1.1
288.98727	1.9
289.07828	0.9
291.00232	2.2
291.09225	1.7
293.01828	2.4
293.05469	5.4
295.07013	62.2
299.02948	1.3
300.98621	1.1
303.00262	5.6
303.03470	1.5
303.09268	2.2
304.02951	1.6
305.01825	7.7
305.05447	3.7
307.03421	1.7
307.07114	7.0
309.08633	0.9
310.11307	1.5
316.09589	0.9
317.10001	1.1
318.08691	1.1
319.07001	1.7
321.01270	4.3
321.04761	1.7
321.10254	3.3
323.02853	4.5
323.06540	10.8
325.08069	2.7
330.99719	9.1
333.01318	6.8
333.04901	1.3
333.10297	1.6
333.60620	1.3
335.02826	2.6
335.06619	6.5
335.10492	1.3
335.59879	1.6
337.04553	1.1
337.08029	33.3
342.10471	2.0
343.11761	1.2
349.00757	6.2
351.02274	1.0
351.06250	1.9
353.03790	1.1
353.07755	3.8
355.09146	16.4
358.99249	9.9
361.00836	2.3
363.02332	8.6
363.06033	1.8
365.07593	10.1
367.08981	4.5
377.00259	8.2
378.11078	1.0
381.03360	1.7
383.08490	0.9
389.07529	5.5
391.01782	15.8
391.06302	1.2
393.07071	3.1
395.08905	1.4
407.08472	4.4
409.02621	4.2
423.08398	5.5
435.07925	2.6
451.07587	28.7
453.09161	1.6
465.09460	1.3
483.09708	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	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
53.17832	0.9
53.37185	0.8
55.01871	2.0
55.05519	8.6
57.03438	6.3
61.02922	3.9
67.05506	8.4
69.03438	4.7
69.07075	4.7
69.37894	6.5
70.73096	0.8
71.04990	3.7
72.36774	0.8
73.02919	2.1
73.06568	0.8
79.05490	8.7
81.03420	45.3
81.07065	13.8
83.04990	8.9
83.08624	16.5
85.02913	14.6
85.06549	1.0
87.04472	2.7
91.03924	1.1
91.05490	13.6
93.07053	10.2
95.04972	14.6
95.08614	4.1
97.02895	6.8
97.06547	2.9
97.10194	2.0
99.08080	1.3
100.85732	0.9
105.07046	10.4
107.04985	4.3
107.08579	4.5
109.06545	3.0
109.10112	1.4
111.04448	2.9
111.08099	8.0
115.03944	2.8
115.05538	0.9
119.08595	9.1
121.10180	4.3
123.08056	1.5
127.03904	1.9
129.07001	5.5
131.08574	5.8
133.04968	3.0
133.06505	2.1
133.10146	7.1
135.11693	3.5
137.06026	0.8
137.09610	1.1
142.07802	1.4
145.04947	1.2
147.08028	1.7
147.11705	9.2
149.09619	3.8
153.05870	2.2
153.11534	1.3
153.12758	20.9
157.10115	8.5
165.12753	2.2
171.13895	1.7
175.11206	12.2
193.10461	1.1
193.12253	41.3
211.13309	44.4
222.06537	0.8
229.14424	1.4
261.16428	0.8
267.15927	20.2
267.18622	1.7
271.17291	0.8
285.16980	100.0
315.76331	0.8
417.48795	0.8
450.50931	0.9
482.20853	1.7
496.74185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01872	1.4
55.05505	1.6
57.03431	2.5
59.05006	1.4
61.02924	1.4
61.74805	0.6
67.05512	0.8
69.03436	4.8
69.07069	1.8
70.06599	1.2
71.04998	9.6
71.24387	1.1
73.02918	6.3
73.06561	2.7
79.05505	3.2
79.61338	0.6
81.03442	3.6
81.07065	13.4
83.08612	0.7
85.02909	15.6
87.04492	0.7
91.05482	1.5
93.07050	11.3
95.04998	0.6
95.08616	2.7
97.02907	10.8
97.06510	1.3
99.04460	0.9
103.03944	0.9
105.07065	0.7
107.04984	0.8
107.08601	8.7
109.02874	1.7
109.10150	1.6
114.75492	0.6
115.03932	3.8
119.08637	0.6
121.10160	1.1
127.03923	4.7
133.04973	4.7
135.11702	15.1
137.05995	1.3
137.09714	0.6
145.04977	6.0
147.04442	0.7
153.12759	100.0
157.10205	0.5
163.05986	2.7
166.28484	0.5
171.13786	4.2
193.12263	2.4
211.13385	0.9
223.06027	1.2
241.07137	2.0
243.72070	0.5
244.44974	0.6
259.08215	2.5
267.15924	1.2
285.17017	5.2
295.10385	1.4
309.74710	0.6
396.30237	0.5
469.46802	0.6
482.18314	0.6
482.26224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
53.65366	0.6
55.01885	1.8
55.05509	5.6
57.03437	7.3
58.06593	1.2
61.02916	3.3
67.05509	9.3
67.87449	0.8
69.03442	4.7
69.07083	4.7
69.88490	3.8
71.04988	2.9
73.02911	3.5
79.05499	10.1
81.03421	34.1
81.07057	11.2
83.04984	8.1
83.08624	10.6
85.02907	16.5
85.06512	0.9
87.04509	0.8
91.03970	1.7
91.05487	13.9
93.07051	13.1
95.04974	13.3
95.08611	4.1
97.02898	4.5
97.06535	1.6
97.10152	1.0
98.97599	0.8
105.07034	10.3
107.04974	5.7
107.08584	5.9
108.05253	1.1
109.06513	2.5
109.10109	1.8
111.04465	1.1
111.08083	7.4
113.06033	1.2
115.03925	2.2
119.08586	9.3
121.06529	1.0
121.10117	4.6
123.08049	1.5
127.03901	1.8
129.07016	5.9
131.08559	6.2
133.04955	1.6
133.06480	1.2
133.10133	6.7
135.11702	4.5
137.09587	1.2
142.07780	1.5
145.10094	0.9
147.08049	2.5
147.11699	8.3
149.09615	3.6
152.19049	0.8
153.12775	9.7
157.10139	8.1
159.03365	0.9
165.12776	1.9
171.13812	0.9
175.11208	6.9
193.12257	29.6
193.32956	0.9
211.13304	20.8
267.15958	8.7
267.63480	0.8
285.16977	100.0
286.17264	0.9
302.12772	1.2
395.89084	0.8
447.22046	2.5
482.20398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1684
Annotation	Albiflorin
Peak:m/z	Relative Intensity
55.01858	0.3
55.05508	0.8
57.19191	0.3
57.78342	0.3
58.73831	0.3
67.92612	0.3
69.73762	1.6
79.05498	0.4
81.07047	0.5
83.04961	0.3
85.02919	0.5
86.34799	0.3
93.07043	0.5
95.04949	0.4
95.08601	0.9
97.02889	0.3
97.10159	0.4
98.20746	0.4
98.97558	0.4
99.09438	0.3
107.08599	0.6
111.08096	0.4
121.10182	0.3
127.03752	0.9
137.06021	0.4
142.48898	0.3
147.04448	0.4
171.04068	0.3
186.06578	0.4
197.77486	0.3
215.05255	0.3
229.06827	0.4
259.05777	0.6
275.07431	0.4
275.52023	0.3
279.46350	0.3
288.14090	0.7
291.08591	0.5
317.08514	3.1
319.07245	0.5
349.12537	0.9
463.27084	0.4
481.16849	100.0
482.17377	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2048
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
53.03963	0.2
55.01868	0.4
55.05512	1.8
57.07063	0.2
60.56976	0.2
63.77155	0.2
65.77275	0.2
67.05496	0.6
69.03429	1.1
69.07071	1.0
69.57356	0.7
69.57786	0.9
72.67171	0.2
79.05501	0.9
81.02996	0.2
81.03421	1.5
81.07068	1.8
83.04986	0.4
83.08602	0.3
85.02908	0.4
91.05495	1.3
93.07043	1.8
95.04976	0.6
95.08607	1.6
97.02885	0.3
97.06526	0.3
97.10167	2.0
99.04455	0.6
105.07050	1.3
107.08618	1.3
109.02877	0.7
109.06514	0.5
109.10152	0.9
117.07018	0.4
119.08594	0.9
121.06503	0.3
121.10166	1.5
123.08023	0.3
123.11771	0.5
125.09655	0.5
127.03946	0.9
127.11202	0.2
131.08611	0.4
133.10165	0.8
135.11694	0.4
137.05998	0.3
139.11214	0.3
143.08583	0.3
143.10713	0.8
145.02953	0.2
145.10147	0.5
147.04388	0.5
147.11777	0.3
149.13280	0.3
153.05365	0.2
153.12776	0.3
157.10124	0.4
159.11758	0.6
163.11156	0.3
165.09192	0.2
170.54152	0.2
175.11211	0.3
273.22217	0.3
301.21521	0.6
319.22870	0.3
351.14178	0.7
363.99295	0.2
396.13663	0.4
415.82828	0.3
463.26822	0.6
481.20474	100.0
482.20889	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01864	1.0
55.05513	0.7
62.79350	0.5
67.01871	8.5
67.05492	2.0
68.99783	4.0
69.03407	1.6
69.07024	0.8
71.04993	0.5
71.56741	0.7
79.05506	3.9
81.03414	1.5
81.07052	2.7
83.01341	0.9
83.04939	0.9
83.08614	0.6
85.02896	0.8
91.05502	2.8
93.07031	2.0
94.82171	0.5
95.04978	1.0
95.08608	0.8
97.02882	1.9
102.04742	0.5
103.05451	2.2
105.03343	1.2
105.04475	0.8
105.07027	10.4
107.04958	1.3
107.08580	0.9
111.00780	1.6
112.51374	0.6
115.05466	3.1
116.06232	0.7
117.03419	0.6
117.07004	0.8
118.04202	0.7
119.04927	2.6
119.08578	1.2
121.06520	1.2
123.04417	1.8
125.02328	1.2
131.04933	2.4
132.05702	0.7
133.02859	1.2
133.06485	7.1
135.04419	2.4
135.11703	0.8
137.05960	1.7
143.04962	0.9
145.02776	0.6
147.04414	4.2
149.05977	2.1
150.06729	1.1
151.03886	0.7
151.07545	2.6
153.01828	100.0
159.04445	0.9
161.05957	4.6
163.03918	3.2
163.07527	2.3
165.05670	1.1
165.09148	1.5
167.03365	0.6
167.07042	1.8
171.02893	20.3
175.03894	2.1
175.07539	5.3
177.05487	1.6
178.06270	1.5
179.03391	12.2
179.06996	4.2
180.07790	0.6
187.03842	0.8
193.08604	22.3
194.09389	30.1
195.09906	0.6
201.05452	4.6
203.03391	6.4
211.62704	0.7
213.05611	0.7
221.06107	0.6
231.06650	0.6
241.04913	1.2
245.04491	0.8
259.06049	2.3
269.04514	2.5
276.07858	0.8
277.08569	1.0
287.05505	15.2
288.93808	0.7
313.07056	1.3
324.11200	0.7
327.08633	15.8
329.13757	3.5
337.10880	1.1
355.11768	3.4
481.14963	31.9
481.30734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99977	0.8
53.00304	2.0
55.01870	2.0
56.07803	0.8
56.96555	1.1
61.02918	1.0
65.03946	1.1
68.99793	1.5
69.99397	4.1
81.03402	1.9
85.02891	3.1
91.05470	1.0
95.01292	1.5
97.02885	1.6
98.97569	1.2
101.02399	1.0
107.04973	1.7
110.25536	1.0
111.00834	1.7
116.98637	1.1
121.02850	3.1
123.04427	5.6
123.52475	0.9
127.03918	19.2
131.04933	1.4
133.02766	1.5
135.04451	1.2
139.03905	74.4
140.04585	1.1
147.04359	1.9
149.02354	2.2
150.03122	2.5
151.03908	11.7
157.06491	1.2
158.99710	1.2
162.03120	5.0
163.03928	9.0
165.01865	2.2
167.03355	1.7
171.04437	1.1
175.03860	2.8
177.01929	5.2
177.05479	1.6
179.01862	1.1
179.03406	22.7
185.06030	1.5
189.05457	1.6
191.03368	3.7
193.04959	1.2
195.02876	5.0
201.05482	1.7
203.03395	5.4
205.01399	1.3
205.04932	2.3
207.02927	1.6
213.05424	2.9
219.02834	3.9
221.04536	2.3
223.02327	3.4
229.04987	1.6
231.02864	3.1
233.04431	2.9
241.05014	1.8
245.04460	1.8
253.05037	2.1
257.04315	1.4
259.02426	1.8
261.03979	2.0
269.04327	1.9
271.06033	3.3
279.05048	4.0
285.05991	1.3
287.05499	100.0
288.06235	17.7
289.07080	1.2
295.04456	4.2
297.06104	1.5
299.05511	1.6
303.05432	1.1
305.06583	2.0
313.05545	1.4
319.04416	11.0
319.13712	1.3
325.05426	4.8
327.04944	2.4
337.05588	8.6
394.63333	1.0
427.06494	2.9
445.07800	7.1
463.08752	1.8
481.19199	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	481.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71043	0.4
53.03936	0.4
55.01858	0.6
55.05490	1.1
67.01870	5.0
67.05501	1.0
68.99792	1.7
69.03413	0.8
69.07066	0.9
70.26337	1.0
73.25675	0.3
79.05504	2.1
81.03402	0.5
81.07060	1.8
85.14861	0.3
91.05485	2.4
93.07037	1.6
95.04961	0.4
95.08600	1.1
97.02886	0.6
97.10188	0.9
103.05455	1.7
105.03379	0.5
105.07038	7.4
107.04962	1.0
107.08597	1.4
109.10137	0.9
111.00787	0.4
115.05457	1.4
117.07025	0.4
118.04165	0.7
119.04950	1.9
119.08590	0.8
121.06498	0.7
121.10159	0.6
123.04447	1.0
125.02397	0.8
129.06982	0.3
131.04959	1.3
131.08609	0.4
133.02887	1.8
133.06505	4.1
133.10147	0.4
134.07269	0.5
135.04410	1.0
135.08054	0.7
137.06001	0.8
139.03964	0.3
144.05730	0.4
145.06471	0.6
147.04439	3.4
147.08061	0.7
148.05064	0.5
149.05963	0.9
149.09586	0.6
151.07558	1.3
151.52727	0.4
153.01836	100.0
154.02182	0.4
161.06003	5.2
162.06807	0.8
163.03888	2.6
163.07594	1.3
165.05515	1.2
165.09149	0.8
167.03404	0.4
167.07050	1.8
171.02901	9.3
173.06007	0.4
175.03906	0.4
175.07544	2.7
178.06279	1.2
179.03401	8.4
179.06993	2.8
181.05028	0.4
181.08600	0.6
187.03925	1.0
189.11227	0.6
193.08627	6.8
194.09395	18.6
195.10010	0.4
201.05511	1.3
203.03423	0.8
213.05653	0.6
259.06042	0.9
275.19934	0.5
287.05524	0.7
310.57574	0.4
313.07080	3.4
313.10342	0.5
327.08734	2.1
329.13861	1.5
355.11749	3.5
356.57043	0.3
481.14990	27.2
482.15134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03938	4.0
55.05496	3.8
56.71441	1.2
57.03440	5.4
59.11922	0.9
59.96268	1.2
61.02920	1.9
67.05495	3.3
69.03430	10.7
69.07069	1.3
69.56329	7.3
71.04987	3.0
73.02906	1.1
75.04493	5.4
77.91797	0.9
79.05074	1.4
79.05496	17.4
79.05918	2.0
81.03051	0.9
81.03427	10.5
81.07066	8.0
83.04977	1.8
83.08617	1.3
85.02907	9.8
87.04465	1.6
89.06009	4.3
91.05484	16.8
91.52774	1.0
93.07045	89.5
94.07361	1.3
95.04977	5.2
95.08611	8.1
97.02884	9.4
97.37567	1.1
98.97558	1.5
99.04453	3.4
105.07034	10.8
107.04944	3.8
107.08592	18.9
109.02888	7.4
109.06464	1.2
109.10171	1.4
111.04464	2.5
111.08104	5.6
117.06976	2.5
119.04906	3.0
119.08588	16.3
119.38010	1.0
121.06480	2.7
121.10143	100.0
123.08064	2.5
123.11678	1.3
125.05974	2.2
127.03918	6.9
128.72867	1.0
129.06982	1.1
131.08598	8.5
133.10121	1.0
134.05881	1.2
135.06573	1.4
135.08075	1.3
135.11690	9.2
137.05981	4.8
139.11163	4.3
145.04980	5.4
145.10135	5.4
147.04431	7.9
149.09619	40.3
161.09561	1.2
163.11200	10.6
167.10683	36.5
167.12106	2.1
177.05354	1.4
181.12289	1.7
189.05505	1.2
227.12755	13.8
247.13181	1.3
268.10785	1.2
283.15399	38.3
287.05032	1.4
288.05560	1.2
289.05191	1.2
293.13815	9.8
301.07056	1.5
302.07391	3.8
303.04565	1.3
304.07874	4.1
311.14880	33.1
318.06842	4.4
430.18732	1.2
480.29749	2.5
481.16104	1.3
482.37228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01875	16.1
55.05506	4.5
56.10621	1.9
56.96555	2.2
57.03442	22.8
57.07075	2.1
59.04993	4.4
61.02935	16.2
61.17183	1.8
67.05505	6.9
69.03431	50.2
69.07073	59.5
69.21104	17.5
71.01351	7.0
71.04977	4.2
73.02923	93.6
79.05491	3.8
81.03421	9.7
81.07066	21.1
85.02910	100.0
86.63066	2.0
87.04481	7.1
91.03963	3.4
91.05486	7.8
92.33839	1.8
93.07048	8.2
95.04973	4.3
95.08627	7.4
96.11834	1.7
97.02897	79.9
97.06544	2.2
98.97604	4.1
99.04446	6.6
103.03963	3.2
103.05475	3.5
105.03391	16.5
105.07054	4.2
107.04955	7.6
107.08589	5.2
109.02883	10.7
109.06495	3.8
109.10129	9.4
115.03931	44.2
119.08590	2.7
121.10176	7.0
123.11715	74.1
127.03915	35.9
131.04922	6.6
131.08531	2.1
133.04973	41.6
133.10120	3.1
139.83939	1.9
144.06580	2.9
145.04965	45.0
147.04402	9.1
150.07632	2.3
151.04076	2.0
151.11192	58.5
152.42122	2.0
156.06502	2.1
162.57045	1.9
163.06047	13.6
165.51067	2.0
167.10716	2.2
169.12170	8.9
177.00899	1.8
177.05527	2.0
180.08708	2.2
199.06096	2.3
223.06033	6.4
241.07100	7.7
259.08185	10.5
265.14328	3.5
270.65005	1.8
272.14725	2.8
273.71567	2.0
277.09274	3.1
283.15457	29.5
295.10287	2.5
434.75699	2.0
480.19449	2.0
481.20621	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.098
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
52.49374	0.3
53.03948	0.3
55.01863	0.5
57.03429	0.9
60.27051	0.3
61.02946	1.7
68.99796	1.3
69.03440	2.9
69.44823	2.4
71.04984	0.3
73.02921	0.5
74.41449	0.3
81.03415	1.8
85.02909	9.5
87.04485	0.4
91.03973	0.5
97.02393	0.3
97.02910	3.7
99.04441	0.8
109.02885	1.7
111.00797	2.3
112.57169	0.3
127.03916	2.2
137.02312	1.5
137.05988	0.6
137.29492	0.3
145.04926	1.6
153.01839	9.9
165.01859	3.7
166.02565	0.4
168.12808	0.3
177.05431	0.4
179.03410	1.0
183.02910	0.7
189.05409	0.5
193.01259	0.4
195.02948	0.6
199.03941	0.7
203.03416	0.6
207.02882	0.4
217.01349	0.3
217.04990	3.4
227.03474	0.5
229.05095	0.4
231.02956	0.4
244.03688	0.3
245.04495	5.2
255.02913	0.6
263.05557	0.4
273.03931	4.7
283.02298	0.3
287.23627	0.3
290.04236	1.1
301.03375	1.2
304.39429	0.3
319.04501	100.0
320.04880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.6
57.07080	91.5
62.05839	4.6
65.77848	4.0
67.05496	14.8
69.07076	41.4
69.43994	24.4
69.44398	8.3
71.08291	6.8
71.08639	88.5
79.05486	19.5
81.07056	37.7
83.04964	12.3
83.08616	29.6
85.10193	58.7
91.87163	4.5
93.07049	36.5
95.08617	31.9
97.06509	7.0
97.10162	19.7
99.08129	7.7
99.11727	10.9
101.06047	32.4
107.08602	30.0
109.06534	14.4
109.10133	15.9
111.08060	7.9
111.11700	11.0
113.09660	5.5
114.79350	5.0
115.07567	7.4
121.10139	20.7
123.11703	9.4
125.05972	8.6
125.09630	7.6
127.07565	87.9
129.04536	6.0
129.05486	100.0
135.08044	5.4
135.11685	13.3
137.13280	5.6
139.07527	9.8
139.11220	5.9
143.07121	10.3
149.13242	19.6
153.12727	9.6
157.08598	9.2
160.24539	4.5
160.25798	4.5
160.67628	4.2
163.14815	18.1
167.14194	8.1
177.16386	13.2
179.46638	5.0
181.15875	9.2
191.17926	5.7
197.10645	4.5
209.15468	4.6
213.14784	5.1
233.22615	4.5
242.59476	5.0
249.40347	4.2
289.28964	11.3
290.64743	5.3
307.29858	10.2
335.29538	7.1
353.30295	6.4
479.36789	15.4
484.12115	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	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.01870	6.3
55.05517	28.5
56.96574	13.9
57.03445	15.3
61.02935	13.8
65.03944	4.6
67.05509	73.2
69.03431	9.9
69.07069	28.5
69.41994	3.2
69.42400	11.5
71.01334	1.8
71.04999	6.5
73.02931	5.3
78.31345	1.9
79.05498	64.3
81.03421	50.3
81.07062	100.0
82.07404	2.3
83.04981	16.6
83.08623	29.7
84.96057	2.7
85.02914	33.6
85.06561	5.7
91.03973	5.2
91.05487	56.4
93.03453	2.3
93.07052	62.6
95.04971	40.5
95.08618	29.4
95.09186	3.3
97.02895	12.3
97.06550	10.1
97.10152	9.1
98.97603	5.2
99.08125	2.6
101.02354	3.0
103.03955	2.2
104.77612	1.9
105.04560	3.6
105.07030	30.7
107.04960	11.4
107.08604	36.8
107.09301	2.8
109.02887	3.1
109.06533	12.1
109.10171	8.9
110.06881	1.9
110.97575	3.2
111.04469	3.3
111.08092	16.8
112.99153	2.5
113.06030	2.3
115.00645	1.9
117.07005	11.1
119.08575	25.7
121.06548	7.1
121.10152	23.6
123.08105	6.2
123.11777	4.6
125.09657	5.9
127.03944	5.0
128.98665	3.7
129.07037	12.9
131.00146	1.9
131.08569	23.2
133.06546	2.8
133.10139	18.2
135.08101	4.0
135.11723	7.8
137.09677	3.7
139.11206	3.4
142.07796	2.1
143.08592	3.2
145.05008	2.4
145.06485	3.5
145.10150	7.5
146.05804	2.1
147.08081	2.6
147.11697	15.7
149.09685	8.1
149.13251	22.4
151.11185	1.8
153.09212	2.7
157.10143	11.4
158.99667	2.3
159.11687	10.5
159.76099	1.8
163.11188	4.4
163.98082	1.7
165.12799	4.1
167.03853	2.1
171.03384	2.6
171.11668	2.2
173.09683	2.0
173.13269	3.6
175.11206	12.3
177.12775	6.6
185.04890	2.2
189.00729	2.3
189.11220	4.4
193.12244	43.1
193.13852	2.9
195.13910	8.5
203.05934	2.7
211.13295	51.9
211.15257	2.8
213.08067	1.8
217.07510	2.5
231.09099	2.4
243.08904	4.9
255.09195	2.9
267.09015	30.6
267.15906	13.2
269.10541	3.5
269.17505	12.1
284.12622	3.0
285.10156	36.8
285.16949	4.8
296.10339	2.8
303.05063	6.3
308.11850	5.4
316.11966	2.1
324.11533	16.0
331.15921	6.1
336.13214	2.6
349.16846	18.2
351.23636	2.1
361.23770	1.8
365.15314	9.6
367.18060	7.3
369.24176	5.6
387.25302	9.7
405.26501	2.5
417.26553	2.8
435.27322	3.2
443.28049	2.8
461.28943	31.8
479.30231	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3732
Annotation	Clathriol
Peak:m/z	Relative Intensity
50.00806	2.3
51.26287	2.3
55.05507	8.2
57.07077	14.3
59.28655	2.0
67.05505	6.7
69.07072	21.6
69.60294	14.6
71.08633	9.6
79.05506	6.5
81.07068	21.0
83.08623	10.2
85.10197	11.3
88.02515	2.4
91.05500	5.6
93.07054	13.6
95.08609	18.3
97.10169	7.2
104.01685	2.2
105.07032	10.6
107.04944	7.6
107.08603	12.7
109.02876	4.6
109.06528	3.6
109.10174	13.0
111.11757	3.7
111.37828	2.5
119.08605	10.4
121.06557	4.7
121.10160	6.9
123.11742	5.5
129.07001	3.3
131.08549	9.3
133.06529	3.6
133.10118	8.4
135.08087	2.5
135.11703	4.1
137.13257	2.9
143.08582	6.2
145.10159	8.2
147.08083	2.4
147.11687	8.6
151.14803	2.7
152.06425	2.5
157.10124	5.2
159.11696	7.8
161.09639	4.2
161.13263	8.1
169.10121	3.0
171.08122	5.3
171.11743	3.9
173.13261	3.9
183.11693	4.0
185.13269	4.5
189.09166	8.0
199.14806	2.7
203.10567	2.8
227.17970	2.3
229.15694	2.4
234.16711	2.4
243.13699	2.8
247.13382	2.9
251.20509	2.2
285.18646	4.4
291.16895	2.3
301.28928	9.9
335.13153	2.4
343.29929	7.2
377.45352	2.4
383.33051	4.0
397.34692	4.3
401.34137	12.2
407.33182	5.7
425.34155	35.2
443.35202	100.0
444.35156	2.4
461.36230	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83307	0.8
53.03916	0.9
55.01870	3.1
55.05507	5.3
56.05856	0.8
57.03414	1.0
67.05506	6.7
69.03419	2.5
69.07065	2.3
71.05022	1.4
77.03918	0.9
79.05489	7.3
80.05826	2.0
81.03418	5.3
81.07066	5.6
82.03741	1.1
82.07385	1.0
83.04997	1.8
83.08611	2.8
85.02911	1.0
91.05480	11.1
92.05773	1.2
93.07040	3.4
95.04990	6.9
95.08612	2.8
97.10183	4.1
98.21554	1.2
101.40151	0.8
105.03394	22.3
105.04508	1.6
105.07053	4.1
106.07364	1.8
107.04957	22.9
107.08619	2.2
108.08948	0.9
115.05493	1.1
116.22471	0.9
119.04946	7.8
119.08561	1.8
121.06532	1.5
121.10132	1.8
123.08129	0.9
125.09662	0.9
127.03967	1.4
128.06230	1.7
129.07028	5.0
130.07306	1.0
131.04927	2.9
131.08539	1.7
135.08047	2.2
137.05992	2.4
141.06993	1.3
142.07780	3.0
143.08580	1.2
143.90622	0.8
144.05763	1.4
144.08925	0.9
145.06557	2.2
145.10143	1.2
147.04416	3.0
147.11760	1.0
149.09630	1.1
152.06235	3.9
155.08574	1.0
157.06517	3.7
157.10112	4.9
161.05933	0.8
161.09619	0.8
165.07045	3.4
165.09096	1.0
166.07797	1.4
167.07050	5.2
167.08589	9.0
169.06554	1.5
170.07275	3.9
171.07993	2.1
175.07782	0.9
175.11206	1.3
185.09631	7.9
195.08046	8.2
197.05949	0.9
198.06784	3.3
210.52663	1.0
213.09116	100.0
215.53290	1.0
237.09108	2.4
267.08499	2.2
368.22931	1.5
369.23343	3.9
385.23428	1.2
386.24295	1.8
387.24411	4.8
405.25168	2.5
420.26532	1.0
438.54910	1.0
461.28183	8.6
479.29025	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.23573	0.1
57.83669	0.1
60.47905	0.1
65.73022	0.1
69.03437	0.2
69.95455	0.6
77.13207	0.1
78.48040	0.2
79.05482	0.1
85.02910	0.3
88.21896	0.1
91.05490	0.2
93.07046	0.1
95.05000	0.1
97.02888	0.2
97.06522	0.1
98.97605	0.2
107.04986	0.8
107.08613	0.2
119.04969	0.2
136.64488	0.1
147.04446	0.9
153.01849	0.4
158.99741	0.1
167.17496	0.1
194.17403	0.1
203.03502	0.4
228.04152	0.1
231.97113	0.1
244.65419	0.1
273.03979	0.2
274.04736	16.2
275.04932	0.2
302.04233	33.2
303.04614	0.5
317.06573	100.0
318.06952	1.2
451.49548	0.2
479.11710	0.9
479.16458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.5
54.36389	0.1
55.01865	0.6
56.55122	0.1
57.03439	1.3
59.04997	0.1
61.02924	1.5
62.73876	0.1
63.47939	0.1
65.03922	0.2
66.66559	0.1
67.05490	0.2
68.99795	0.2
69.03428	3.3
71.04995	0.3
71.54362	0.2
73.02903	0.6
79.05471	0.2
80.19997	0.2
81.03411	1.9
85.02905	9.8
87.04453	0.4
91.03957	0.7
91.05486	0.3
92.02615	0.8
93.03402	0.8
93.07033	0.2
95.04974	0.4
95.08649	0.2
97.02892	3.7
99.04447	0.6
105.07009	0.2
107.04960	1.6
107.08577	0.3
109.02859	1.1
115.03957	0.1
121.02874	0.8
126.03142	0.3
127.03912	1.7
129.20064	0.1
135.04312	0.2
135.08054	0.3
137.02353	0.3
139.03871	0.8
140.10649	0.2
145.04953	1.5
147.04372	0.4
150.03084	0.2
151.03911	0.8
153.01826	6.8
163.03862	0.2
163.07484	0.3
165.01839	0.5
165.05431	0.2
177.05487	0.3
179.03172	0.5
185.04158	0.2
187.03877	0.2
193.04793	0.2
200.04700	0.2
201.05467	0.5
203.03429	0.2
212.58293	0.1
217.04933	0.8
218.05841	0.5
219.02785	0.2
228.04161	1.2
229.04932	2.9
229.07057	0.2
231.02884	0.5
245.04434	1.1
246.05217	1.6
247.02220	0.2
257.04437	2.3
260.03180	0.5
261.07574	0.3
273.03928	1.6
274.04718	4.1
284.03244	0.3
285.03943	4.0
288.06152	0.2
301.03488	0.3
302.04208	13.2
303.04919	0.3
317.06549	100.0
318.07053	1.2
417.14389	0.2
447.12430	0.5
461.14099	0.5
462.71970	0.2
479.15384	3.1
480.14838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1526
Annotation	Bipinnatin Q
Peak:m/z	Relative Intensity
51.02390	0.5
53.03934	2.0
57.03432	0.5
61.02933	0.9
66.59425	0.4
69.03432	1.1
70.85468	1.0
72.90253	0.5
76.86809	0.5
78.78004	0.4
79.05493	6.6
79.17217	0.5
81.03429	0.8
85.02914	3.4
95.04966	1.9
97.02888	1.4
97.18800	0.5
99.04513	0.8
105.04566	0.7
107.04962	69.6
127.03933	0.6
133.02626	1.1
135.04185	4.4
146.07602	0.5
147.04419	0.9
149.05756	3.8
153.01901	1.2
161.02092	0.6
179.03163	19.7
185.04213	6.6
193.04721	9.1
223.09514	0.6
241.08302	1.0
274.04745	4.1
275.08859	0.6
291.08340	1.3
302.04224	8.8
302.34964	0.5
303.04739	0.6
309.09467	1.4
317.06567	37.4
323.10983	0.7
367.10001	0.6
403.13571	1.3
417.15234	1.4
438.81839	0.5
447.12616	25.9
461.07538	0.7
461.14218	24.4
479.15277	100.0
480.15735	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2933
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03939	0.8
55.01858	0.3
55.05518	10.5
57.03443	6.5
57.07083	1.4
65.03930	0.7
65.37416	0.2
67.05511	21.4
67.44526	0.3
69.07076	12.5
71.04977	0.4
71.08630	0.8
71.88550	0.2
73.06554	0.3
77.41907	0.3
79.05496	6.6
79.84909	0.2
81.07063	25.1
83.04977	1.1
83.08157	0.4
83.08629	7.0
85.06536	0.6
90.33034	0.3
91.04971	0.4
91.05489	5.3
93.06484	0.4
93.07050	6.3
95.04951	0.4
95.08614	17.4
97.06543	1.2
97.10176	3.1
98.06063	0.3
98.98460	0.6
99.00083	0.2
99.08060	0.3
105.07037	3.0
107.08601	3.3
109.06500	0.3
109.10168	6.7
111.08083	0.6
111.11722	0.7
119.08591	3.3
121.10152	3.2
123.11714	3.0
124.01618	0.4
125.09599	0.6
129.06998	0.3
130.55945	0.2
133.10135	2.8
135.11674	1.4
137.09656	0.3
137.13280	0.9
139.11185	0.3
147.11713	1.6
149.13229	0.9
151.14856	0.3
161.13283	1.2
161.62486	0.2
163.14862	0.6
175.14848	0.5
216.06345	0.6
245.22800	0.6
263.23752	0.8
306.27954	2.2
337.27390	100.0
338.27997	1.3
446.75485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.97472	0.9
53.63536	0.7
55.05268	0.8
55.05516	10.8
57.03426	2.9
57.07066	2.4
57.63486	0.8
62.06094	31.4
65.03925	0.9
67.05511	30.6
69.06734	1.0
69.07076	11.9
69.30900	4.2
69.31335	2.9
71.08634	1.7
79.05502	9.4
81.07062	26.7
83.04986	1.0
83.08633	6.4
91.05482	5.3
93.07047	8.4
95.08612	19.4
97.06512	1.3
97.10190	3.8
98.06084	4.7
98.20696	1.7
98.98479	9.6
105.07030	3.7
107.08592	5.4
109.10165	8.0
119.08554	2.7
121.10159	4.0
123.11683	3.3
124.01607	1.1
131.08528	0.9
133.10127	3.2
135.11687	2.9
137.13274	1.1
142.02632	1.4
147.11711	1.9
149.13283	1.2
151.14856	1.1
155.01021	4.2
173.02118	1.4
175.14911	1.6
186.87485	0.9
198.05260	2.3
216.06279	3.6
216.24391	0.9
245.22655	1.7
263.23801	6.9
294.26520	0.8
302.07449	1.4
306.27933	42.0
319.26242	1.5
337.27386	100.0
460.28259	5.8
478.29346	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	478.2933
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.03932	0.3
55.01868	0.5
55.05514	4.3
57.07081	0.5
62.06078	1.0
67.05186	0.3
67.05511	5.4
69.07072	5.0
70.58596	0.6
70.58958	0.4
79.05505	1.6
81.06607	0.3
81.07060	5.1
83.08606	1.8
85.05296	1.5
86.06041	0.8
91.05476	0.5
93.07038	1.2
95.08610	3.3
97.10172	0.4
98.06059	8.7
98.98473	0.5
105.07027	0.7
107.08591	0.5
109.10157	1.3
110.09657	0.4
112.07587	1.3
123.11678	0.4
126.09133	0.4
133.03444	0.3
135.11691	0.5
140.10741	0.5
147.11684	0.4
149.13225	0.3
154.12233	0.6
166.12303	0.4
182.15303	0.3
194.15369	0.3
196.16965	0.4
208.17000	0.8
222.18494	0.5
236.20113	0.4
243.50880	0.3
302.07401	0.6
306.27917	100.0
307.28262	1.2
324.29034	0.9
337.27417	0.7
467.83023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0822
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
57.62160	0.1
67.01862	0.4
68.99795	0.3
70.68002	0.4
71.21551	0.1
95.12083	0.1
96.67455	0.1
102.16106	0.1
103.48355	0.2
133.02847	0.3
151.03928	1.2
153.01831	4.6
167.36874	0.2
171.02888	0.1
177.01836	0.4
183.04420	0.1
195.03027	0.2
203.03415	0.9
213.24594	0.1
223.59816	0.1
229.04996	0.6
257.04407	1.4
261.04016	0.1
285.03976	0.9
303.04990	100.0
304.05368	1.1
357.63354	0.1
479.08167	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01869	6.3
55.05510	3.1
56.96554	1.7
57.03444	5.0
57.07066	5.7
60.04541	1.2
61.02925	7.3
65.03901	0.8
67.05512	6.3
68.99796	2.5
69.03432	28.2
69.07063	5.6
70.88274	2.6
71.04990	8.2
73.02931	5.2
73.20446	1.1
79.05499	34.8
81.03423	19.2
81.07067	9.5
81.72469	1.0
83.01358	1.4
83.04990	9.9
85.02910	70.8
85.06544	2.0
87.00832	28.9
89.22882	1.0
91.03964	1.3
91.05478	10.4
92.35966	1.3
93.07044	35.9
93.21051	1.0
94.78934	1.0
95.04980	2.9
95.08607	5.0
97.02894	21.0
97.06519	5.2
98.97589	1.5
99.04463	11.8
105.01874	47.6
105.04511	1.2
105.07052	3.5
107.04945	6.4
107.08589	13.7
108.04485	2.1
109.02881	23.5
109.06528	1.5
109.10168	1.1
115.03941	1.9
117.01859	1.6
117.07017	2.9
119.01857	0.9
119.04935	3.6
119.08578	3.0
121.06537	3.5
121.10152	3.9
121.10960	0.9
123.04450	1.4
125.05993	14.5
126.05553	1.1
127.03924	51.5
129.01802	4.6
129.09161	1.2
131.08571	2.1
133.06538	1.2
133.10139	11.0
135.04390	1.1
135.08098	2.1
135.11696	85.8
136.08452	0.9
136.12022	1.5
137.05995	1.4
139.07542	8.6
145.04967	20.3
147.02994	1.8
147.04407	16.6
147.11661	2.3
148.04778	5.1
149.09566	1.0
149.13257	8.3
153.09152	1.9
153.12700	1.6
159.02885	8.9
159.11710	3.5
162.05453	1.9
167.10690	4.4
177.12759	14.9
184.70872	0.9
186.72118	1.0
189.03902	3.0
195.13812	100.0
213.03998	3.0
231.05025	20.2
235.13304	1.4
241.85315	1.1
246.21803	1.2
249.06116	5.0
258.05206	2.1
259.05685	5.0
261.32434	1.1
261.69681	1.3
267.08698	1.1
269.12546	1.3
280.23483	1.7
285.14774	1.9
286.04691	5.4
287.05115	13.0
288.05673	1.8
298.24573	2.1
301.07022	15.1
302.07401	35.1
311.14825	1.4
314.65286	1.0
407.16977	2.0
478.11346	6.8
478.17786	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	478.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	0.7
56.96569	0.9
58.99571	0.6
67.04254	5.1
69.03432	1.8
69.59007	1.0
69.59438	1.8
70.06593	0.8
71.23196	0.4
73.01169	0.7
74.00667	4.3
81.03441	0.9
85.02904	3.5
97.02883	1.9
98.97585	1.9
100.02209	100.0
102.05550	1.1
107.04964	1.7
109.02841	0.7
110.97588	0.7
114.05532	1.7
116.98611	0.6
118.45953	0.4
120.08075	0.8
123.04509	0.5
127.03925	1.1
128.98595	0.5
130.04990	1.3
132.01123	0.5
145.04965	0.6
156.06580	0.7
157.04337	2.9
158.02718	4.1
163.03938	1.5
175.05431	2.5
178.51985	0.4
180.06558	0.6
185.03812	1.0
201.00772	0.5
203.04866	76.9
213.06935	19.6
213.08946	1.0
219.01770	0.7
237.02859	1.2
255.07811	0.7
276.10730	1.4
309.08618	0.5
316.09653	18.2
375.12244	2.5
433.22537	1.3
478.08432	0.9
478.14914	10.2
478.24609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
56.96540	0.6
61.12134	0.4
66.74096	0.4
66.79323	0.4
69.03423	1.0
69.34722	0.5
69.35122	3.1
70.33009	0.4
81.03415	0.6
85.02926	3.1
91.03951	0.5
91.05446	0.5
93.07034	0.7
97.02872	1.6
107.04939	1.3
109.07663	0.7
127.03913	1.0
132.39035	0.5
137.05951	0.8
145.04973	0.6
166.01717	0.5
168.58392	0.5
174.10452	1.0
183.11031	0.8
187.09956	0.5
192.12169	0.7
201.12709	0.9
205.62744	1.7
210.13182	0.7
214.63321	4.1
219.13365	2.9
223.63829	3.3
228.13853	13.3
228.63919	1.6
237.14372	24.2
237.64546	3.1
239.64584	0.5
246.14914	100.0
246.65053	10.1
248.65236	1.0
257.65552	0.8
265.12170	0.7
274.41998	0.4
277.41071	0.4
283.13089	0.6
287.05429	2.8
288.05844	5.4
293.59073	0.5
303.05017	0.5
355.17838	1.1
373.19107	0.6
407.23190	0.7
477.33157	11.3
478.33447	27.0
491.29175	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	478.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.4
56.05036	0.5
56.51626	0.3
58.99574	0.6
59.11503	0.3
67.03926	0.4
67.04253	5.2
69.03418	1.2
69.96176	1.3
73.01151	0.9
74.00659	1.8
75.43222	0.3
81.03408	0.8
84.04519	0.4
84.56161	0.3
85.02911	2.6
86.00660	1.0
96.04516	0.3
97.02908	1.8
98.97591	0.6
100.02205	100.0
101.29708	0.3
102.05544	1.5
105.03434	0.4
107.04977	2.2
107.65011	0.4
109.02849	0.6
110.06053	0.7
114.05530	2.4
123.04440	0.4
127.03911	0.7
129.04848	0.4
130.05003	1.5
132.01161	1.0
138.05531	0.7
139.07126	0.3
145.04977	0.4
147.04459	0.4
156.06598	0.6
157.04289	2.6
158.02711	3.7
161.54883	0.4
170.02940	0.3
175.05374	2.8
180.06575	0.6
185.03873	0.9
197.34233	0.4
203.04860	67.5
213.06923	9.9
219.74605	0.3
255.07985	0.4
258.09753	0.4
264.88647	0.3
268.35474	0.3
276.10843	1.0
283.04044	0.3
316.09641	16.2
358.10602	0.7
375.12332	3.3
478.14902	18.0
479.14719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
51.23289	1.8
53.03946	6.2
53.44564	1.8
55.01867	10.7
55.05270	3.5
55.05513	40.4
57.03443	9.2
60.21732	1.9
65.03930	2.1
67.05508	35.0
67.90380	2.0
69.03416	5.9
69.07074	13.2
71.04974	3.4
71.41615	2.3
79.05071	3.1
79.05498	47.4
81.03421	48.4
81.07058	33.5
83.04974	7.2
83.08621	27.1
83.76237	1.7
85.02895	1.9
85.06513	3.8
91.05483	32.4
93.07046	24.7
93.47807	2.0
95.04977	26.8
95.08608	20.8
97.06538	6.8
97.10178	34.6
101.14241	1.9
103.05447	2.8
105.07037	27.0
107.04955	25.5
107.08601	20.8
109.06519	8.0
109.10142	11.1
111.08059	6.3
117.07027	11.8
117.92168	1.8
119.04953	4.1
119.08574	16.0
121.06501	26.2
121.10143	8.4
123.04446	2.6
123.08060	6.4
123.11698	1.8
125.05933	2.8
125.09646	26.8
126.95110	1.8
128.06216	3.8
129.07011	13.9
129.73024	1.8
131.04930	6.3
131.08594	16.0
133.06497	7.8
133.10120	6.8
135.04362	2.2
135.08052	7.8
135.11748	2.8
141.06952	2.6
142.07803	2.3
143.08530	10.4
145.06509	14.8
145.10121	10.0
147.08080	7.1
147.11702	7.8
149.09615	6.3
153.09085	5.4
155.08572	3.9
157.06464	4.3
157.10138	8.8
159.08070	4.4
159.11719	3.4
161.05988	3.0
161.09653	3.4
163.11166	3.5
167.08607	2.6
169.06467	2.3
169.10138	5.7
171.08043	2.5
171.10239	4.3
171.11684	5.5
173.09631	3.9
175.11182	6.6
181.10181	3.2
183.11641	2.9
185.09659	3.1
185.13232	3.3
187.11278	3.4
187.14835	2.1
189.09200	1.8
189.11206	12.2
189.12782	5.2
193.12265	21.0
195.11568	2.3
197.09608	2.4
197.13231	4.7
199.11134	2.8
205.12263	2.8
206.29822	1.9
211.11127	3.7
211.13181	3.8
213.12860	2.7
215.12444	2.1
215.14336	5.1
227.12639	15.8
231.13739	2.8
233.15443	14.8
241.14258	2.4
245.15372	3.2
247.13251	3.2
249.14874	4.2
255.13712	2.7
258.05225	2.2
264.81616	2.2
267.15930	44.3
269.15546	2.1
271.16742	2.3
273.14825	9.9
275.16449	2.7
286.04797	4.2
287.16458	2.0
301.07059	5.6
328.89142	1.8
339.23178	6.0
341.21179	9.1
349.21600	11.2
357.24252	8.3
359.22241	2.8
367.18399	2.6
367.22717	34.9
385.23749	59.8
403.24771	25.5
415.24649	5.0
420.56772	2.0
423.25424	2.2
431.27414	2.7
433.25854	26.0
441.26263	5.2
459.27426	100.0
460.27649	2.4
477.28506	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.9
55.01873	12.6
55.05267	3.6
55.05515	48.2
57.03447	15.5
65.03952	4.4
67.05510	56.5
69.03438	7.4
69.07068	14.6
70.05753	10.2
71.04996	4.7
76.79040	1.8
78.08820	1.8
79.05499	61.8
81.03423	70.5
81.07061	50.6
83.04988	18.9
83.08620	30.2
83.09068	3.3
85.02914	12.5
85.06523	2.4
91.04910	2.9
91.05482	58.9
93.07053	34.9
95.04971	37.5
95.08618	23.7
96.49670	1.8
97.02935	2.4
97.06551	8.8
97.10175	36.9
98.21350	2.5
99.08119	3.2
103.32915	1.7
105.04534	2.7
105.06428	1.5
105.07039	42.6
107.04960	30.7
107.08611	23.4
109.06534	11.4
109.10156	11.8
110.02753	1.8
111.04492	2.2
111.08090	8.6
113.06006	2.3
115.05450	4.9
117.07019	12.9
119.08587	27.9
121.06523	26.6
121.10145	10.3
123.04468	3.5
123.08094	8.1
123.11738	4.0
125.09640	32.4
129.07024	20.7
131.04930	5.0
131.08595	20.9
133.06490	12.3
133.10147	18.8
135.08063	10.9
135.11678	2.9
137.06030	3.4
137.09621	2.6
141.07039	3.9
142.07826	4.1
143.08586	7.6
145.06473	19.0
145.10104	10.0
147.04427	2.5
147.08057	11.3
147.11711	16.5
149.05978	2.4
149.09621	9.5
151.11192	2.1
153.09155	8.3
154.79204	1.9
155.08618	5.8
157.06549	4.8
157.10126	18.5
159.08127	6.4
159.11716	5.2
161.06026	3.4
161.09662	4.4
163.11211	4.8
165.12784	2.7
167.08672	3.8
169.10179	6.2
171.08078	6.2
171.10240	3.8
171.11729	7.7
173.09682	4.8
175.11195	12.9
183.02470	1.8
183.08046	2.6
185.09747	3.1
185.13332	2.4
187.11269	2.8
189.11253	17.7
189.12738	4.5
193.12250	41.4
195.11739	3.2
197.09608	2.8
197.13342	3.7
199.11212	5.8
205.12259	3.5
205.15904	2.3
207.11957	1.9
211.11302	3.3
211.13243	17.6
213.12744	3.6
215.14334	5.4
217.12315	4.2
223.11270	2.2
223.13254	3.1
225.12834	2.7
227.12704	19.5
233.15421	16.0
235.13208	2.2
237.12904	2.4
241.14302	1.8
245.15588	3.8
247.13441	2.0
249.14882	4.7
255.13976	3.6
257.15317	2.1
267.15939	52.5
272.88522	2.0
273.14841	15.5
275.16620	2.6
276.13083	2.6
286.04779	7.6
301.07074	14.7
339.23392	4.9
341.20959	3.7
349.21671	13.2
357.24307	8.6
367.22720	39.0
385.23734	65.6
403.24817	16.9
415.24628	3.4
433.25717	11.8
438.69717	2.2
441.26212	6.5
459.27454	100.0
477.28555	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01882	10.8
55.05265	3.1
55.05513	38.1
57.03436	10.6
57.07093	2.5
65.03951	2.3
67.05506	44.3
69.03418	7.1
69.07074	9.8
69.39178	16.4
69.67623	2.0
71.04978	3.6
79.05074	3.2
79.05498	48.0
81.03415	49.7
81.07059	37.2
83.04973	7.2
83.08611	22.7
85.02901	4.0
91.05482	40.7
93.07043	30.1
95.04965	26.4
95.08595	19.8
97.06554	6.1
97.10180	32.1
98.20752	4.2
103.05462	3.3
105.03393	4.6
105.07027	26.3
107.04970	21.7
107.08598	23.4
109.02872	2.2
109.06514	11.6
109.10133	14.0
111.08089	8.2
117.06988	13.4
117.59496	1.8
119.04949	16.4
119.08575	21.2
121.06511	26.3
121.10123	12.4
123.08086	8.3
125.09641	21.0
129.07040	15.8
131.04933	3.6
131.08557	17.7
133.06494	7.0
133.10130	9.1
135.04414	3.8
135.08063	10.0
135.11731	2.8
137.05966	3.2
141.06973	3.7
142.07744	2.9
143.08569	7.2
145.06493	14.1
145.10123	8.0
147.04413	65.7
147.07994	10.6
147.11699	8.3
149.09630	9.4
151.07578	2.9
151.11153	2.0
153.09154	4.9
155.08618	4.4
157.06534	4.5
157.10118	10.0
159.08058	7.8
159.11728	4.1
161.06024	3.3
161.09622	6.3
161.13280	3.8
163.11169	3.9
165.05565	3.2
167.08528	2.3
169.10187	6.7
171.08028	5.1
171.10210	3.2
171.11687	8.2
173.09630	4.4
175.11205	6.6
181.10054	3.6
183.11728	4.3
185.09528	3.3
185.13330	3.8
187.11182	4.7
189.11221	11.2
189.12808	5.8
193.12231	23.7
195.11697	3.9
197.09564	2.0
197.13188	4.5
199.14728	2.2
201.12628	2.0
210.53143	2.1
211.13283	2.1
213.12706	4.4
215.14384	3.8
217.15944	2.6
219.13896	2.6
225.12810	2.9
227.12717	17.4
231.13814	4.3
233.15367	13.6
237.12898	2.2
245.15433	5.4
249.14897	6.4
255.13741	2.6
258.05347	3.3
267.15927	48.0
271.16852	2.3
273.14755	9.5
275.16248	2.2
286.04807	6.8
287.16495	2.3
294.23740	2.1
301.07065	21.4
309.09384	2.4
313.83002	2.0
321.22009	2.3
323.19949	3.2
339.23157	6.3
341.21155	10.8
349.21692	8.9
357.24161	12.4
359.22012	2.2
367.22662	33.9
385.23737	51.3
403.24857	26.7
415.24622	6.2
433.25851	28.9
441.26529	6.6
459.27438	100.0
477.28799	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06987	1.8
53.03942	7.6
55.01866	14.7
55.05515	62.6
57.03447	13.1
59.04991	3.7
65.03938	6.1
67.05510	62.2
69.03426	7.9
69.07070	15.1
69.61335	10.5
71.04995	5.3
79.05500	69.2
79.05960	3.6
81.03426	68.9
81.07064	53.6
81.07528	4.0
83.04996	13.0
83.08621	42.0
85.02910	10.4
85.06549	3.7
91.05486	61.3
93.03421	1.9
93.07050	40.6
95.04979	35.6
95.08620	24.1
97.02879	4.2
97.06543	7.2
97.10174	48.1
99.08119	1.7
103.05452	2.3
105.03400	5.4
105.07040	41.6
107.04967	35.0
107.08604	31.3
109.06543	14.4
109.10168	15.1
111.04450	2.0
111.08094	11.5
113.06026	3.6
115.05427	5.0
117.07035	18.9
119.04951	4.4
119.08572	27.0
121.06519	30.9
121.10143	9.7
121.33850	1.7
123.04487	2.4
123.08092	8.1
123.11729	7.7
125.06008	2.0
125.09638	32.4
128.06270	2.9
129.07014	26.9
131.04938	7.5
131.08571	23.3
133.06491	11.5
133.10114	18.2
135.04425	2.0
135.08058	12.2
135.11685	3.6
137.09680	3.0
141.06992	4.6
142.07800	4.8
143.08575	10.8
144.05640	2.4
145.06502	26.9
145.10167	9.0
147.04382	8.6
147.08070	11.5
147.11699	17.3
149.09624	8.8
151.07530	10.5
151.11235	2.3
153.07042	2.2
153.09108	9.4
153.12726	2.1
155.08574	4.7
157.06506	4.3
157.10139	19.4
159.08047	7.1
159.11705	5.0
161.09637	5.0
163.11171	4.6
165.09206	2.5
165.12721	3.2
167.08589	2.5
169.10161	5.2
171.08063	6.9
171.10287	4.2
171.11722	8.1
173.09665	3.2
173.13280	2.8
175.07603	2.0
175.11201	15.2
177.12808	2.3
181.10153	3.6
183.11714	3.0
185.09590	4.7
185.13319	5.9
187.11171	4.9
187.14899	3.2
189.09497	2.4
189.11238	22.2
189.12794	4.7
191.10719	2.0
193.12234	39.1
195.11743	4.6
197.13385	4.9
199.11197	5.4
205.10411	1.8
205.12277	4.1
207.11618	1.8
211.11208	4.9
211.13329	17.5
211.25722	2.0
213.12779	6.2
215.10826	2.1
215.14375	6.3
217.12312	3.6
217.15903	1.7
225.12804	3.1
227.12625	10.9
231.13783	4.9
233.15433	15.9
237.12781	4.6
239.14407	3.3
241.14397	6.5
245.15402	2.2
249.15050	3.5
255.13905	5.0
258.05121	2.4
259.13278	1.9
264.83679	1.9
267.15927	37.7
269.15610	2.0
271.16974	3.2
273.14929	18.4
286.04648	4.1
289.18051	2.4
291.16147	3.3
301.07120	9.2
321.22168	2.4
339.23138	10.5
341.21033	4.1
349.21689	16.8
357.24197	11.0
367.22672	55.7
368.23401	2.1
375.25461	3.0
385.23743	88.7
386.24341	3.0
403.24829	25.7
423.25421	2.2
433.25833	10.5
441.26465	9.1
459.27457	100.0
460.27463	2.7
477.28525	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64940	2.0
54.37140	1.9
55.01883	11.5
55.05267	3.4
55.05514	51.5
57.03437	11.7
62.52644	2.0
65.03931	5.5
65.28048	2.0
67.05508	53.1
69.03436	10.5
69.07074	16.2
69.54667	13.0
71.04996	5.8
72.22392	2.2
79.05495	64.7
81.03418	64.1
81.07055	52.1
83.04995	13.9
83.08624	37.0
84.10023	1.8
85.02910	7.9
85.06542	4.3
91.05485	50.7
93.07049	38.2
95.04978	27.8
95.08603	26.1
97.02872	2.5
97.06535	6.2
97.10173	41.6
103.05457	3.2
105.03406	2.4
105.07037	43.5
105.07691	3.3
107.04967	28.4
107.08610	28.1
109.06523	12.8
109.10166	13.7
111.04425	2.4
111.08073	10.2
113.05999	2.2
113.09590	2.7
114.33035	2.2
115.05456	5.3
115.20500	1.9
117.07035	15.8
119.04932	10.9
119.08584	25.6
121.06506	26.7
121.10160	9.0
123.04441	2.8
123.08112	6.7
123.11718	3.6
125.09631	29.2
129.07002	22.8
131.04948	6.9
131.08572	24.3
133.06473	10.4
133.10141	16.6
135.08057	12.4
135.11699	4.8
137.05981	3.7
141.06967	4.2
142.07805	3.9
143.08586	8.7
145.06505	20.1
145.10153	10.8
147.04414	41.5
147.08044	10.9
147.11676	14.1
149.09653	7.9
151.07561	6.6
151.11217	3.1
153.09129	9.5
155.08612	6.2
157.06497	5.6
157.10129	14.4
159.08090	5.1
159.11778	4.5
161.06052	3.6
161.09695	6.1
163.11208	5.0
165.12848	4.1
171.08128	4.9
171.10266	2.9
171.11696	5.1
173.09694	5.5
173.13359	2.6
175.11172	12.6
177.12881	2.3
181.10164	4.2
183.11809	2.2
184.09018	2.4
185.09619	3.0
185.13353	4.6
187.11331	3.1
189.09634	2.1
189.11259	10.3
189.12799	4.2
191.10750	3.0
193.10445	3.7
193.12239	35.5
193.13864	2.7
195.11749	3.1
197.13441	2.7
199.11208	2.7
203.14326	2.5
205.12225	4.3
205.16010	2.7
211.13248	12.9
213.12828	5.0
215.14398	6.8
217.12396	3.7
223.13441	2.9
227.12730	11.7
231.13878	5.8
233.15285	10.2
241.14485	4.3
243.13773	2.9
245.15508	3.8
247.13368	2.1
249.15022	2.3
255.13921	5.2
258.05365	7.1
261.14908	2.6
267.15933	35.4
269.15662	2.1
271.16904	3.2
273.14804	11.0
286.04709	17.4
291.15869	2.5
301.07053	44.0
339.23322	7.1
341.21310	5.8
349.21634	12.2
357.24307	6.3
367.22687	45.1
385.23743	72.6
403.24789	23.4
415.24652	2.5
433.25668	14.1
441.26654	6.3
459.27435	100.0
477.22198	4.5
477.28687	81.8
478.29623	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72950	0.2
53.03946	1.2
54.93261	0.2
55.01870	0.5
55.05514	6.3
57.03441	6.6
57.07063	0.7
62.06073	0.6
63.92064	0.2
65.03940	1.1
67.05507	27.4
69.07072	7.0
69.89421	0.9
71.05000	1.0
77.03922	0.3
79.05495	14.7
81.03416	0.3
81.07059	23.8
82.07403	0.2
83.04975	0.6
83.08609	2.7
85.06519	0.6
91.04915	0.2
91.05486	6.9
93.07047	14.7
95.04975	1.1
95.08610	19.3
97.06507	1.1
97.10154	0.8
98.06042	0.4
98.98460	0.4
99.08085	0.4
105.04511	0.5
105.07028	3.9
106.34466	0.2
107.08600	7.4
109.06500	0.8
109.10164	6.5
109.10916	0.3
111.08089	0.6
117.07027	1.2
119.08582	3.3
119.72134	0.2
120.46392	0.2
121.10154	5.2
123.08045	0.6
123.11729	1.5
124.01591	0.8
131.08568	2.2
131.09454	0.4
133.10130	2.4
135.11690	2.6
137.13179	0.4
145.10118	1.0
147.11668	1.3
149.13277	1.2
159.11679	0.9
161.13268	0.8
163.14821	0.5
173.13316	0.7
175.14815	0.3
187.14836	0.3
198.05261	0.5
208.13928	0.2
216.06319	0.8
261.22134	0.8
301.07367	0.2
304.26404	3.4
335.25803	100.0
336.26276	1.1
406.24747	0.2
476.30881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	28.1
57.52931	1.0
61.02868	1.2
63.96102	1.0
69.03413	3.5
69.65947	2.1
69.66352	5.4
70.06599	1.3
76.70788	1.0
84.96030	15.3
85.02898	7.7
97.02888	3.5
98.21607	1.1
98.96931	2.1
98.97578	43.8
101.50128	1.1
102.97079	2.1
105.03374	3.3
107.04942	3.0
109.02869	2.0
110.97563	11.4
111.04421	1.2
112.99120	2.9
115.89901	1.0
116.12968	1.0
116.98622	16.9
121.02850	6.5
124.99129	2.3
126.97070	1.1
127.03870	1.9
128.98595	10.6
131.00188	2.8
134.10199	1.1
134.99603	3.5
139.03920	2.0
140.00237	1.1
140.98576	2.7
143.00162	11.0
144.98085	2.5
145.04955	2.1
146.99646	4.5
151.00711	5.6
158.99696	4.8
161.01221	13.4
162.99153	1.4
163.03923	2.0
169.01727	7.8
170.99626	2.4
176.98465	4.8
177.00655	5.6
177.05376	1.1
179.00185	6.4
179.02248	2.9
181.04965	1.6
187.02856	5.3
189.00681	3.7
194.99654	23.2
197.01207	7.5
201.00685	6.3
209.01158	1.5
213.00697	51.5
218.01167	1.3
219.00031	1.3
219.01764	32.9
231.01723	5.6
237.00652	10.2
237.02812	35.4
242.03104	1.3
255.01718	13.1
255.03983	1.6
258.05249	2.1
259.02859	1.2
261.00671	3.0
263.02301	5.0
267.01804	1.9
273.00650	1.7
277.03864	2.3
279.01779	11.4
281.03485	6.4
286.04733	2.9
291.01459	1.3
294.49905	1.3
297.02762	3.8
301.07022	11.2
309.02704	1.9
321.02829	12.5
339.03879	100.0
339.07394	4.2
357.04919	44.2
357.08621	2.2
362.05429	1.2
380.06506	4.1
423.03723	1.2
430.38992	1.0
477.07153	4.6
477.13675	1.5
477.19904	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1028
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
69.77572	0.7
74.55336	0.1
125.78918	0.1
148.19856	0.1
153.01830	0.3
178.55716	0.1
178.66830	0.1
229.04953	0.3
257.04672	0.2
258.05246	14.5
259.05557	0.4
286.04715	37.3
287.05115	0.8
301.07059	100.0
302.07382	1.6
477.03479	0.3
477.10342	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	477.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52493	0.2
53.03940	0.4
55.01857	0.2
55.05498	0.7
57.03427	0.3
59.00016	0.2
61.21659	0.2
62.02575	0.2
65.03606	0.2
65.03934	0.8
67.05505	1.5
69.03417	1.1
69.07066	0.4
69.52678	1.7
71.04990	0.5
79.05486	1.6
79.85886	0.2
81.03424	3.0
81.07056	2.0
83.04980	0.4
83.08618	0.6
85.02913	1.6
85.06516	0.3
86.32266	0.2
91.05475	7.9
93.07049	2.1
95.04963	1.3
95.08595	1.3
95.30682	0.2
97.02885	0.6
97.06516	0.3
97.10155	0.5
98.20776	0.4
98.97584	0.3
99.04454	0.3
105.03424	0.2
105.07039	1.2
107.04947	0.7
107.08595	1.4
107.53181	0.2
108.08923	0.2
109.02887	0.7
109.06506	4.1
109.10149	1.5
111.08101	0.3
113.09689	0.3
115.05470	0.2
117.07018	0.3
119.04941	17.3
119.08578	0.9
121.06487	0.5
121.10127	1.4
122.10441	0.5
123.04460	0.2
123.08093	0.3
123.11699	0.5
125.09630	0.7
127.03967	0.4
131.08565	0.7
133.10144	0.5
135.08086	0.5
135.11636	0.4
137.05963	0.4
137.09537	0.3
138.46049	0.2
145.06499	0.4
145.10127	0.4
147.04408	100.0
148.04741	0.7
149.09621	0.6
150.10011	0.3
151.07544	0.3
151.11156	1.1
157.10089	0.3
161.09692	0.2
165.05467	4.7
165.09077	0.5
179.10712	0.3
193.12329	0.5
219.01929	0.3
227.12773	0.4
257.04373	0.2
258.05246	2.4
267.15979	0.5
273.06314	0.2
279.23468	0.3
286.01520	0.3
286.04712	6.0
287.05194	0.3
291.08627	2.0
297.24109	0.2
301.07059	14.2
302.07349	0.4
307.07953	0.3
309.09698	6.3
367.22464	0.6
385.23788	0.8
459.27658	1.3
477.10849	1.2
477.24957	2.6
477.30582	0.2
502.57407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01877	1.0
55.05515	2.9
57.03439	4.4
58.31800	0.6
61.02936	0.8
62.06291	0.6
65.86242	0.6
67.05510	2.1
69.03430	14.0
69.07074	0.8
69.40922	2.4
69.41339	2.2
71.04992	1.6
73.02923	1.0
75.04482	4.1
79.05492	16.3
81.03415	9.6
81.07050	4.5
83.04995	1.5
83.09441	0.6
85.02905	6.9
87.04465	0.9
91.05488	14.0
93.07046	86.8
94.07399	0.6
95.04991	3.1
95.08608	1.7
97.02892	8.7
97.06541	1.5
99.04461	2.3
101.04771	0.6
103.05470	1.7
105.04494	0.9
105.07033	10.4
107.04947	1.2
107.08593	13.3
109.02864	5.9
109.10212	0.9
110.62892	0.6
111.04454	2.0
111.08083	4.2
113.06031	1.5
116.06200	0.9
117.07020	1.6
119.08581	19.9
120.09007	0.7
121.06516	1.5
121.10146	100.0
122.10474	0.7
123.08064	1.8
123.11686	1.1
125.06020	1.0
127.03899	5.8
129.05487	2.2
129.07001	0.8
131.07065	5.3
131.08582	7.3
133.06578	0.7
133.07620	1.1
133.10107	1.5
137.09616	0.9
139.11185	2.7
145.05002	3.5
147.04395	1.1
147.11627	0.7
149.09624	46.4
151.07422	0.8
163.11427	0.5
165.09134	1.6
167.10683	28.1
170.70641	0.7
178.19415	0.5
186.03709	0.7
195.57765	0.6
201.12631	0.6
211.10970	0.6
247.13217	1.0
271.05951	6.1
272.06311	13.9
275.12769	0.7
283.15372	0.9
293.13855	11.2
301.07120	1.6
311.14883	25.3
329.15778	1.1
387.20245	0.7
476.19571	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74541	1.5
51.43542	2.0
53.55175	1.5
55.05524	9.6
57.03438	2.2
62.06090	36.8
67.05514	33.4
69.07075	11.4
70.71931	5.1
79.05496	18.7
81.07066	25.0
83.08613	7.3
83.59363	1.6
83.64638	1.7
91.05470	12.1
93.07052	21.5
95.04963	2.5
95.08614	24.1
95.13848	1.6
97.10176	2.4
98.06048	8.2
98.98486	8.0
105.07028	7.8
107.08605	13.2
109.10181	7.3
111.17594	1.7
115.57414	1.7
117.07037	2.2
119.08577	6.5
121.10139	9.4
124.01633	2.5
129.07411	1.6
131.08560	2.8
133.10152	5.3
135.11655	3.3
140.06302	1.7
145.10156	3.4
147.11740	3.5
149.09619	1.7
149.13235	1.8
149.84312	2.1
155.01047	3.8
159.11722	2.6
163.14732	1.8
198.05287	3.4
216.06310	4.7
261.22137	8.7
304.26370	81.2
317.24576	2.0
335.25824	100.0
415.22604	3.3
423.29849	1.9
458.26694	9.1
476.27701	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	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32092	1.0
55.01857	1.0
57.03439	21.1
59.04983	3.7
60.04517	3.1
61.02926	2.7
66.87437	0.9
69.03433	77.5
69.59238	5.6
70.80352	1.0
71.01330	1.1
71.04958	1.3
73.02914	7.9
73.69643	0.9
75.04478	1.2
79.05495	1.3
81.03399	3.0
82.61366	0.9
85.02908	56.2
87.04473	54.4
91.03944	2.1
91.05469	1.0
97.02898	62.8
99.04426	2.8
105.07047	7.8
109.02867	4.9
115.03934	95.8
124.05211	11.6
127.03928	7.9
133.04971	100.0
133.06407	6.9
137.05019	1.3
137.05988	16.2
144.06543	2.6
145.04970	11.0
147.04425	1.2
147.37093	1.0
150.07639	10.3
151.03893	1.3
157.06477	2.8
163.06070	2.6
165.09131	42.4
169.04932	2.4
175.06076	1.3
177.09073	1.5
180.08705	1.5
187.06046	1.6
189.09120	4.6
201.09129	2.9
207.10091	2.5
215.10635	1.0
216.40623	1.1
229.07158	2.0
231.10260	2.4
241.07091	3.4
243.10167	3.1
258.05237	2.1
259.08139	2.7
261.11203	2.5
277.09009	1.7
286.04675	4.0
295.10330	2.3
301.07068	9.8
308.28006	1.0
504.30478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01862	2.7
57.03440	30.6
59.05017	4.3
60.04515	3.8
61.02919	2.8
68.26316	0.8
69.03432	92.4
69.59827	5.7
71.01372	1.8
71.04973	1.2
73.02920	11.6
75.04479	2.5
77.17658	0.9
79.05475	1.0
81.03407	3.7
82.26152	0.8
83.04972	1.2
85.02909	71.4
85.23248	0.9
87.04473	62.4
91.03946	2.0
97.02898	78.4
98.06078	1.1
99.04461	2.4
105.07040	10.7
107.08586	0.9
109.02883	3.9
115.03936	97.9
117.07011	1.1
120.34837	0.9
124.05213	14.5
127.03923	10.4
129.06981	1.5
131.04884	1.2
132.63214	0.8
133.04970	100.0
133.06407	9.0
137.05980	19.2
144.06598	1.5
145.04974	12.5
145.06281	1.3
145.06458	1.2
148.05057	1.0
150.07626	14.0
151.07587	0.9
157.06499	2.4
161.05983	1.3
162.07623	1.2
163.06023	2.6
165.09120	43.0
169.04974	2.7
177.09079	2.4
180.08678	1.8
185.10478	1.1
187.06108	1.1
189.09177	4.2
198.11252	0.8
201.09169	5.5
207.10188	3.6
211.06067	1.3
215.10675	1.2
223.06053	1.7
231.10283	2.2
241.06981	3.0
243.10292	2.3
258.05142	2.1
259.08105	4.1
261.11206	2.9
277.09180	2.7
286.04730	2.6
294.11911	1.2
295.10327	2.8
301.07077	9.4
326.90805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
53.78950	0.3
56.96564	0.3
57.03424	0.5
60.51950	0.3
65.03934	0.3
67.05505	1.7
69.03436	2.8
70.07760	0.3
71.04992	1.1
71.56944	0.5
73.02928	0.5
75.63008	0.3
79.05487	1.5
81.03418	3.1
81.07052	0.7
81.87304	0.3
85.02909	4.0
86.06065	2.0
91.05477	0.8
93.07030	0.7
95.04998	1.8
95.08611	0.4
97.02894	8.8
97.06535	0.3
98.97581	0.4
99.04455	1.1
105.03390	0.4
105.07014	0.6
109.02879	3.8
109.06548	0.3
119.08651	0.3
119.74633	0.3
121.10088	0.4
123.04442	0.5
127.03928	5.4
128.04956	10.1
128.05896	0.6
129.05881	0.4
129.06944	0.3
131.04964	0.4
133.10136	1.1
137.05974	1.2
145.05008	0.3
146.06015	100.0
147.04419	0.8
147.06369	1.2
151.07532	0.6
152.07918	0.3
156.04454	0.4
166.56346	0.3
169.07677	0.5
169.34436	0.3
174.05513	75.1
175.05910	0.6
175.07394	0.3
175.14742	0.4
198.11320	0.8
216.06543	1.5
264.06497	0.5
270.07733	0.7
282.07721	1.2
286.04675	1.6
300.08679	49.6
301.06927	3.6
309.17905	0.3
316.07761	0.4
318.09741	10.3
334.09348	0.9
336.10678	0.9
414.15472	0.3
421.92206	0.3
426.31891	0.3
458.14502	0.8
476.15598	6.0
476.21899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57565	1.2
53.03944	10.0
55.01865	3.3
55.05512	23.2
57.03432	6.1
57.07072	1.2
60.09506	1.1
65.03938	4.3
67.05506	83.6
68.05814	1.3
69.03432	1.8
69.06725	1.9
69.07070	21.6
71.01398	1.2
71.04990	4.1
73.06551	2.6
77.03927	2.4
79.05495	85.3
81.03423	12.2
81.07059	88.5
83.04980	14.3
83.08620	14.1
85.06551	4.6
87.04514	1.6
91.04905	2.2
91.05483	55.2
93.07045	84.2
95.04967	18.2
95.08607	34.4
97.02843	1.4
97.06536	12.2
97.10171	3.1
99.08114	3.9
103.05480	1.4
105.04578	2.1
105.07032	40.9
107.04963	7.6
107.08593	33.3
108.08926	1.2
109.06540	5.3
109.10147	6.7
111.08089	5.8
113.09664	1.5
115.05461	1.8
117.07017	13.7
119.08581	22.3
121.06506	2.5
121.10149	16.6
123.08082	4.8
123.11729	2.3
125.09605	1.4
127.07559	1.8
128.06226	2.0
129.06999	12.7
131.08546	9.1
133.06506	1.8
133.10123	13.9
135.08095	2.5
135.11682	6.3
142.07854	1.3
143.08607	7.6
145.10139	7.7
147.08092	4.0
147.11694	25.8
149.13257	18.4
151.11244	2.2
153.09064	1.4
157.10175	1.9
159.07802	1.2
159.10539	2.0
159.11684	9.3
161.09648	3.0
161.13263	9.4
163.11194	2.7
165.12758	1.9
166.56999	1.2
167.14342	1.4
171.11705	24.0
171.13107	1.9
177.12779	3.9
179.14328	3.0
189.12761	9.2
193.12216	1.7
195.13824	5.6
207.13812	32.9
213.15021	1.4
220.41368	1.4
225.14925	4.9
227.12924	1.4
249.14992	1.5
273.28159	1.3
281.17557	2.0
383.22131	1.4
475.30652	100.0
476.31003	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	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00174	1.5
53.03943	3.9
53.31060	1.4
55.01869	3.8
55.05500	8.8
57.03436	16.6
57.07079	42.7
57.90340	1.5
61.02929	47.2
64.39227	1.3
67.05508	17.6
69.03429	24.4
69.07069	9.4
71.01351	3.3
71.04999	2.6
71.08629	31.3
73.02920	22.3
75.04480	1.7
79.05473	4.7
81.03423	16.7
81.07059	26.2
83.04977	2.1
83.08630	13.8
85.02904	48.0
85.10183	17.7
87.04478	2.9
89.06035	1.9
91.03956	27.6
91.05467	2.7
93.07053	5.2
95.04950	2.3
95.08607	31.0
97.02894	40.9
97.10155	6.9
99.04453	7.7
101.02370	12.3
103.03946	6.7
105.07001	2.7
107.08575	4.5
108.34866	1.6
109.02905	8.9
109.10150	16.0
111.11714	2.5
115.03895	3.6
116.98621	1.7
117.05473	3.8
119.08562	3.6
121.10148	2.9
123.11690	7.3
125.13310	2.0
127.03929	19.7
129.05455	3.8
131.08479	2.0
135.11661	2.8
137.13264	3.2
141.05495	1.5
144.78772	1.5
145.04935	9.6
145.10117	2.4
147.11755	2.1
149.02325	2.5
149.13252	1.9
159.06476	1.9
183.06516	5.4
201.07576	6.1
221.22714	1.6
239.23692	26.4
257.24704	5.1
298.43912	1.7
312.07733	1.5
313.27377	100.0
314.27682	1.9
316.03787	1.5
341.26947	3.1
355.77332	1.5
383.28040	2.6
439.31619	2.0
457.31766	5.7
475.32861	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1238
Annotation	Apigenin 7-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
54.56017	0.1
55.05508	0.3
57.01830	0.1
65.03938	0.1
67.01870	0.5
67.05495	0.4
68.99792	0.3
69.03426	0.4
69.07063	0.3
69.75750	0.5
70.06573	0.2
74.10317	0.1
74.76185	0.1
79.05473	0.2
81.03416	0.3
81.07043	0.6
81.76780	0.1
83.05006	0.1
85.02910	0.2
85.06533	0.2
91.05495	0.7
93.07041	0.7
95.04983	0.3
95.08580	0.4
96.84093	0.1
97.02871	0.4
97.06497	0.2
98.97551	0.2
99.79196	0.1
105.07026	0.5
107.04941	0.2
107.08575	0.4
109.02930	0.1
109.06519	0.2
109.10148	0.3
111.08125	0.1
117.02637	0.1
119.04950	1.9
119.08601	0.3
121.02867	0.6
121.06470	0.2
121.10130	0.4
123.08025	0.2
125.02308	0.2
127.03864	0.2
129.01833	0.1
131.08568	0.1
133.10130	0.2
135.11720	0.2
137.06000	0.1
145.02858	0.7
145.10059	0.2
147.04376	0.9
148.04771	0.2
149.09633	0.2
151.07533	0.2
153.01836	5.0
159.11607	0.1
161.09666	0.1
163.03966	0.4
163.14803	0.2
165.09113	0.2
171.02922	0.3
177.00716	0.1
177.09135	0.2
180.36296	0.1
181.12262	0.1
187.07640	0.1
191.10701	0.2
201.00461	0.1
203.07137	0.2
225.05495	0.2
229.04965	0.2
243.06520	0.4
267.09082	0.2
271.06012	100.0
272.06317	1.0
324.33755	0.1
433.85791	0.1
440.57489	0.1
475.12167	0.2
475.22028	0.2
475.28461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3422
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
50.42094	1.3
51.40310	1.7
51.51461	1.4
53.03943	3.6
55.05508	12.4
57.07079	4.9
67.05508	29.9
69.03425	3.3
69.07076	26.7
69.89655	9.0
71.04980	2.2
73.06518	1.5
77.03927	1.8
79.05498	20.3
79.60271	1.8
81.03478	1.7
81.07063	76.2
82.61633	1.6
83.04984	5.6
83.08616	10.1
85.02953	1.6
85.06541	4.6
91.05490	19.8
93.07050	31.7
95.04962	4.3
95.08613	92.5
97.06543	3.4
97.10181	7.2
99.08083	1.9
101.06031	8.5
105.06390	2.6
105.07043	29.5
107.08605	43.4
109.06525	5.5
109.10166	40.1
110.65935	1.5
111.08099	6.6
111.11720	5.4
115.05474	2.1
117.07034	7.3
119.08586	33.5
121.06515	2.4
121.09320	2.6
121.10153	34.6
123.08083	4.6
123.11717	28.1
125.09602	2.9
129.05501	8.6
129.07004	5.0
129.09245	2.0
130.07767	1.7
131.08588	16.9
133.06479	2.7
133.10143	29.3
135.08051	2.9
135.11717	17.8
137.09668	1.7
137.13266	31.7
141.05486	2.5
142.07767	3.3
143.06923	2.3
143.08577	13.3
145.10130	26.2
147.08038	5.9
147.11682	16.5
149.09636	3.7
149.13239	11.5
151.07547	3.6
151.11234	2.3
151.14832	2.7
155.07068	3.8
155.08565	2.2
156.09315	4.9
157.10135	21.9
159.08092	2.6
159.11690	27.1
161.09673	5.3
161.13249	12.1
163.11151	2.9
163.14847	12.5
165.09123	4.6
167.07002	3.0
168.09265	1.9
169.08778	3.1
169.10176	7.0
170.10931	2.2
171.07999	1.9
171.11696	23.8
173.13268	17.8
175.11299	2.8
175.14824	8.5
177.09145	3.6
177.16386	11.5
179.10698	4.4
179.17931	2.3
181.08629	1.8
181.10086	3.8
183.10201	6.5
183.11749	6.7
184.12454	2.3
185.07971	1.8
185.13304	10.3
187.11247	4.0
187.14790	11.2
189.09100	2.8
189.12798	4.9
189.16412	5.0
191.10677	3.7
191.17996	10.3
193.08604	1.8
195.10098	7.0
195.11734	4.4
197.09776	2.0
197.11751	4.5
197.13338	4.9
199.14857	6.6
201.09215	2.4
201.12764	4.4
201.16409	5.0
203.14453	2.5
203.17932	3.1
205.19562	4.9
207.10107	2.9
207.13867	2.7
209.11647	4.3
209.13409	3.3
211.14825	7.1
213.16444	6.2
213.45551	1.8
215.14348	3.4
215.17987	2.3
217.12279	3.0
217.19403	2.4
219.13718	1.9
221.11574	2.9
223.14851	1.8
225.16379	3.4
226.17595	1.6
227.17969	5.0
229.12277	2.1
229.15871	2.4
229.19633	5.2
231.21097	24.2
233.11810	3.0
235.13300	5.2
239.18053	1.9
241.19458	3.7
243.21109	16.1
245.22652	3.9
247.13339	5.1
249.14825	5.1
255.21153	4.7
257.22598	8.1
259.24146	2.1
261.14874	5.7
263.16327	2.6
269.22821	4.3
275.16470	8.9
281.22723	1.8
283.16943	3.6
283.24155	4.8
287.16229	2.2
289.17963	7.3
295.24280	6.6
301.17999	23.3
303.19562	2.6
309.25809	6.1
311.27301	10.2
315.19397	2.7
317.21576	1.9
319.19125	3.5
327.26889	4.6
329.21130	3.2
347.22058	2.1
371.25885	1.8
387.28790	2.4
393.31470	2.4
399.28983	4.3
421.30759	4.3
427.32172	21.6
439.32092	100.0
457.09558	2.0
457.33179	39.2
475.26913	5.0
475.34680	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1239
Annotation	Apigenin 7-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
52.01259	0.1
65.03926	0.1
67.01857	0.3
67.05498	0.2
68.03876	0.1
68.99783	0.2
69.03420	0.2
69.07078	0.1
71.43125	0.1
71.43456	0.1
81.03406	0.2
81.07043	0.3
85.02892	0.1
91.05493	0.5
93.07051	0.3
95.04945	0.1
95.08586	0.2
97.02873	0.1
105.03395	0.1
107.04984	0.1
107.08565	0.2
109.02862	0.2
109.10155	0.2
119.04939	1.8
119.08616	0.1
121.02088	0.1
121.02836	0.5
121.10119	0.1
133.10144	0.1
135.08057	0.1
135.11713	0.1
137.05954	0.1
142.76880	0.1
145.02861	0.6
147.04402	0.4
151.07538	0.8
153.01831	4.1
163.03879	0.4
165.09109	0.3
171.02908	0.3
179.10632	0.1
191.10732	0.2
203.07074	0.1
225.05493	0.3
229.05006	0.2
243.06544	0.3
271.06012	100.0
272.06372	1.1
323.07513	0.8
475.12302	2.0
475.19504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.01868	0.4
62.60719	0.3
65.41787	0.4
68.74836	0.3
69.03413	0.4
70.70747	1.1
79.05492	4.5
81.03393	0.3
83.04965	0.4
85.02908	0.6
95.04972	1.3
97.02896	0.5
105.04552	0.5
107.04961	100.0
108.05294	0.6
109.06543	0.6
111.04455	0.6
127.03918	0.7
135.04446	2.4
136.86310	0.3
147.04410	1.7
148.04739	0.9
153.05470	1.5
162.05519	0.9
176.08319	0.4
177.05534	0.6
190.05077	0.4
214.25861	0.4
239.43835	0.4
265.07053	0.7
337.37769	0.4
474.14450	0.9
474.23938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01907	0.3
53.27779	0.3
55.05524	2.5
56.96555	0.6
57.07069	2.6
65.03942	0.6
67.05497	1.0
69.03436	0.9
69.07054	1.2
69.46148	2.2
70.09905	0.4
73.06567	0.4
74.58215	0.3
79.05500	0.7
81.03432	1.1
81.07053	1.5
83.04972	0.4
85.02900	2.2
85.06550	0.6
85.41879	0.3
86.01868	0.3
89.91439	0.3
91.05485	1.7
93.07044	1.0
95.04964	0.4
95.08620	0.7
97.02880	0.6
97.10188	0.4
98.97583	0.4
105.07025	0.9
107.04905	0.4
107.08604	0.9
109.02855	0.5
109.10137	0.7
119.04893	2.1
119.08610	0.9
121.02889	2.3
121.10173	0.4
137.09622	0.9
137.23058	0.4
147.04422	8.8
149.02350	100.0
165.09102	2.3
166.09486	0.9
167.03407	1.0
179.10623	0.4
190.04926	0.4
205.08615	20.9
211.20055	0.4
221.08096	0.9
225.44859	0.4
277.14383	8.3
295.15387	1.0
442.97116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
57.07072	2.2
61.02900	0.3
62.66424	0.4
65.03933	0.9
67.05493	0.7
69.03415	1.1
69.07059	0.4
69.46397	2.5
73.06534	0.6
79.05478	0.9
81.03413	0.9
81.07043	1.4
83.08595	0.5
85.02904	2.1
91.05471	1.5
93.07037	1.1
95.08610	1.1
97.02882	0.7
97.10145	0.5
98.20795	0.8
98.97574	0.4
105.07032	0.4
107.04941	0.6
107.08620	0.7
109.02883	0.4
109.10159	0.7
109.64752	0.4
119.04932	1.7
119.08562	0.6
121.02856	1.7
121.10094	0.6
127.03953	0.6
133.10112	0.3
137.09636	0.5
147.04408	6.7
149.02341	100.0
150.02708	0.3
159.65939	0.4
161.09650	0.4
165.09117	2.0
166.09515	0.6
167.03418	0.7
171.16962	0.3
177.27475	0.4
182.36266	0.4
190.05008	0.7
205.08600	20.7
221.08086	0.7
277.14319	9.4
278.74930	0.4
295.15509	0.6
304.17767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39643	0.6
56.96297	0.8
56.96565	11.8
57.03431	0.9
69.03432	1.7
71.54199	0.6
71.95258	1.3
74.79073	0.5
81.03419	1.1
84.96036	3.7
85.02921	5.2
86.97586	0.5
89.19034	0.5
97.02920	2.7
97.96814	1.4
98.97588	100.0
99.04453	0.7
102.97083	0.6
110.97575	17.5
112.99152	2.8
114.80569	0.6
115.97874	1.0
116.98627	31.5
119.01839	0.7
123.04498	0.6
124.99094	0.9
126.97108	0.7
127.03911	2.0
128.98602	13.9
131.00171	2.8
134.99664	5.7
137.05977	1.7
139.86684	0.6
140.00183	0.9
140.98622	1.4
143.00200	2.9
145.04942	1.5
146.99669	4.6
147.04419	1.8
149.01224	1.1
155.00197	0.7
158.99655	17.2
161.01228	2.4
162.99135	0.7
163.03967	0.7
170.99643	4.7
171.58257	0.6
177.00723	12.2
179.00194	0.9
179.02281	0.5
181.01929	0.6
182.99692	0.8
189.00723	3.0
191.03917	0.7
191.54057	0.5
193.01805	0.8
193.98900	1.7
195.03371	0.9
200.04414	0.6
201.00639	3.2
208.00455	1.4
210.39622	0.6
211.99983	2.3
213.04271	0.8
219.01779	26.9
220.00366	1.0
223.02869	3.4
226.01546	2.5
227.02292	4.7
230.01195	0.5
235.02797	11.3
237.02792	30.3
238.01427	5.4
241.03908	5.5
242.03273	0.6
244.02448	0.6
245.03288	1.8
249.00665	0.7
251.02299	3.7
253.03848	12.8
255.01627	0.8
255.03738	0.8
255.05769	0.7
256.02603	1.8
259.05081	0.7
260.02081	2.1
260.04550	0.9
261.02762	1.1
265.03989	0.7
267.01651	0.8
269.03333	11.8
271.04846	5.7
272.56873	0.6
277.03830	12.3
278.03238	0.9
279.05298	1.8
281.03177	0.8
281.07120	1.1
281.57175	1.1
282.07455	0.8
287.04315	0.7
289.07318	0.9
295.01556	0.7
295.04895	13.0
295.08032	1.0
304.02536	0.9
304.08228	0.6
307.04785	0.8
311.04370	5.4
313.05948	1.9
325.05991	0.9
337.05847	3.8
347.11127	0.7
356.12430	0.6
367.07126	1.6
378.01758	0.8
385.08875	0.7
397.08258	2.3
415.09140	68.4
416.09692	0.8
433.10202	27.5
438.10825	0.7
456.12030	0.8
475.04510	0.9
475.11273	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3265
Annotation	Comnostin D
Peak:m/z	Relative Intensity
53.03939	3.1
55.05516	15.2
57.03433	3.9
57.07070	4.0
58.06604	1.2
61.02920	1.5
63.56239	1.2
65.57101	1.3
67.05189	1.8
67.05514	23.0
69.03422	1.9
69.06735	1.5
69.07076	20.6
70.42764	1.4
71.08640	2.7
71.54977	2.0
79.05503	15.3
81.03418	2.2
81.07063	34.9
83.04964	4.9
83.08607	9.9
85.06546	2.3
91.05488	9.7
93.06481	2.1
93.07048	26.6
95.04948	2.8
95.08613	60.3
97.02897	1.5
97.06526	4.0
97.10167	5.4
101.06010	5.7
104.91574	1.2
105.07035	21.0
107.08601	41.9
109.06498	3.5
109.10167	52.4
111.08057	4.2
111.11691	4.3
117.07045	3.3
119.08591	20.8
121.06564	1.4
121.10153	68.1
123.08051	4.9
123.11712	18.9
124.74038	1.2
125.05972	2.1
125.09620	4.2
129.05464	5.2
131.08560	5.9
133.07594	1.4
133.10143	23.2
135.11713	27.2
137.09653	3.4
137.13274	7.0
139.11156	7.9
143.08578	3.1
145.10121	12.2
147.11708	16.4
149.09610	2.8
149.13260	12.1
151.07544	2.4
151.11185	2.7
153.12744	9.1
157.10072	3.7
159.11690	14.1
161.09644	2.3
161.13251	13.0
163.11153	2.6
163.14821	11.7
165.09082	1.8
165.12704	1.6
169.08563	1.5
171.10165	8.6
171.11710	3.7
172.95215	2.1
173.09589	2.1
173.13239	10.0
175.11186	2.1
175.14870	11.1
177.12758	1.5
177.16409	6.4
179.10645	1.3
183.10179	1.5
185.13289	4.4
187.14824	13.8
189.16405	6.5
191.17894	2.4
193.12187	1.5
197.13223	1.6
199.13171	1.4
199.14905	2.4
201.16389	4.7
203.17918	4.4
205.19521	1.4
209.11678	2.1
211.13194	1.7
211.14949	1.7
213.16423	2.8
215.14284	2.1
215.17981	2.9
217.19540	4.5
219.13991	1.8
227.17961	5.0
229.19417	9.1
231.21111	8.2
236.14767	1.4
237.15108	2.1
241.19531	4.0
243.21202	4.4
245.18880	1.7
245.22546	1.3
253.19421	2.8
255.21111	2.6
257.22586	10.3
259.24283	3.8
261.18524	1.7
265.17899	2.5
269.22623	3.1
271.20499	2.2
271.24414	2.1
277.18039	1.9
283.23950	2.0
287.20032	2.0
289.21695	3.5
303.19821	2.4
303.23145	9.9
319.22733	1.9
333.24173	12.2
335.22195	11.2
337.20825	1.5
339.30469	2.3
343.28418	6.0
345.24121	3.9
365.32022	7.5
381.30978	4.6
383.29105	4.6
383.33209	3.2
399.31262	5.3
409.30945	11.7
427.32230	35.5
429.33630	24.5
437.30603	3.8
455.31509	19.5
473.19531	4.1
473.32578	100.0
474.32828	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43931	0.4
56.96564	0.4
67.62188	0.4
69.03444	0.5
70.78732	1.3
79.05488	0.7
81.03418	0.6
81.07078	0.4
85.02914	1.0
98.97544	0.4
107.04975	4.9
113.54536	0.4
126.98879	0.4
129.06973	0.5
130.06514	0.8
131.04886	0.5
137.06000	0.6
143.03191	0.5
146.06032	1.1
147.04416	0.7
156.08142	0.6
158.06035	0.6
177.05524	0.7
188.07085	1.1
194.69980	0.5
200.07088	1.2
203.05276	4.6
234.09206	2.1
248.10762	0.5
249.14705	3.3
251.12691	1.1
269.12332	0.9
276.33087	0.4
276.43613	0.4
291.02789	0.4
293.12793	1.1
294.11285	4.8
311.14597	21.0
353.14975	0.5
411.19666	0.9
413.17203	0.9
473.19913	100.0
474.20227	1.3
495.28345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2902
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
50.01604	0.6
51.02388	1.4
53.03949	6.5
55.01881	4.3
55.05515	19.1
57.03442	3.4
57.07075	0.8
59.04998	0.7
65.03941	4.2
67.05509	52.4
69.03424	3.8
69.07072	10.8
69.96478	1.5
69.96896	1.6
71.04987	2.8
73.06567	0.7
77.03937	1.1
78.04671	0.7
79.05496	62.4
81.03422	91.7
81.07059	39.4
83.04987	12.5
83.08620	21.0
85.02910	1.7
85.06540	2.7
91.05485	59.7
93.07046	43.7
94.19463	0.6
95.04972	35.8
95.08614	21.7
97.02908	3.6
97.06542	4.8
97.10188	5.6
99.08105	1.4
103.05479	2.2
105.04527	2.1
105.07037	43.9
107.04959	10.6
107.08604	14.5
109.06525	7.8
109.10146	5.2
111.04432	1.4
111.08090	8.2
113.06012	0.7
115.05475	2.8
117.07020	9.1
119.05004	1.3
119.08589	29.2
121.06509	4.5
121.10147	9.7
123.08082	6.5
125.09651	2.1
128.06218	4.2
129.07011	23.3
131.04880	0.8
131.08577	11.5
133.06499	4.0
133.10138	9.9
135.08069	2.3
135.11723	2.2
137.09627	2.4
141.06970	1.4
141.09120	0.9
142.07780	3.1
143.08592	8.3
145.06531	1.8
145.10133	8.8
147.08070	5.2
147.11696	31.5
149.09631	5.1
155.08572	1.6
157.10153	8.3
159.08058	1.8
159.11720	1.8
161.09669	4.1
161.13266	8.6
163.11237	1.8
165.09189	1.1
165.12762	2.1
167.08646	1.0
169.10153	1.9
171.08153	1.1
171.11693	21.1
175.11180	12.1
183.11670	0.9
187.11200	0.9
189.11185	0.7
189.12776	10.2
191.10335	0.8
193.12250	29.0
199.11305	0.6
203.14291	0.7
207.13814	24.2
207.15762	1.3
211.13292	1.1
213.12767	0.8
225.14908	3.0
227.12775	1.2
229.15991	1.3
231.13866	1.0
249.14780	4.4
251.11270	0.7
263.16473	0.9
267.15811	1.1
271.12601	0.7
273.14929	0.7
281.17508	1.9
335.04999	0.7
363.23349	1.5
381.24384	2.9
399.25439	2.0
403.24863	0.9
417.26343	1.1
455.27945	2.6
473.29019	100.0
474.29199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1422
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
53.34489	0.7
56.73277	0.8
67.05506	1.1
69.03433	0.8
69.48283	2.6
69.48706	3.1
79.05460	0.9
81.03410	1.6
81.07041	1.8
85.02909	1.7
86.09711	1.4
91.05480	1.7
93.07035	2.0
95.04980	0.8
95.08588	1.3
103.05475	3.1
105.07009	1.2
107.05047	0.9
107.08594	1.8
109.02888	1.3
109.06504	0.9
109.10172	1.1
119.08552	0.8
121.10143	1.2
127.03984	1.1
127.11280	0.9
131.04926	6.2
147.04416	1.2
157.46901	0.7
163.03691	4.6
165.09157	1.2
169.04713	2.5
170.88194	0.8
181.04739	3.1
241.12265	0.8
255.13654	0.8
293.09079	0.9
301.09396	1.1
315.08414	16.8
331.07874	8.5
331.14813	0.7
333.09409	4.2
411.14151	94.0
413.18707	0.9
427.13687	30.6
455.13062	16.6
473.14182	100.0
474.14490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08387	0.5
53.03941	1.5
55.01870	0.6
57.03425	1.6
60.73911	0.5
61.02921	1.6
61.38684	0.6
69.03442	5.0
69.88052	2.1
70.06601	1.0
72.08179	0.6
79.05490	2.2
81.03419	3.1
85.02908	9.5
86.09726	1.1
95.04988	0.5
97.02892	4.5
99.04449	0.5
107.04959	32.2
109.02867	1.3
109.78217	0.5
118.06560	1.0
127.03928	1.5
129.06953	0.8
130.06529	100.0
131.04980	1.1
131.06883	0.5
132.08102	1.1
134.02290	0.5
143.07309	1.1
144.08107	3.5
145.04980	1.0
146.06023	3.9
154.06496	3.2
156.08139	1.6
158.06035	3.0
170.06024	5.1
172.07559	1.0
188.07062	8.7
194.09415	0.6
199.14536	0.6
200.07092	6.6
205.09731	1.4
206.09689	7.7
216.08063	0.7
217.08902	0.5
218.09703	0.8
220.07628	1.8
222.09125	3.8
233.08409	1.8
234.09145	28.1
235.09692	0.8
236.10710	14.5
238.12158	0.6
246.09079	0.6
248.10741	4.5
250.12564	0.5
252.10298	1.5
276.10248	2.1
294.11252	85.4
295.11630	1.9
311.13907	45.5
312.14362	0.4
332.72531	0.5
353.14969	1.0
437.17297	0.7
455.18219	1.4
456.16644	4.8
473.19122	9.3
481.26715	0.5
497.88092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61329	0.6
53.03945	1.8
55.01875	0.9
57.03424	0.6
61.02912	1.7
69.03436	3.7
69.23231	0.7
69.47578	3.3
69.47990	1.6
70.06590	0.9
71.04986	0.9
79.05493	5.7
81.03407	2.1
81.07023	1.0
81.95747	0.7
85.02908	9.3
86.09673	1.6
91.05487	1.4
95.04954	1.0
97.02896	3.2
98.20794	1.4
98.97588	0.7
107.04957	98.4
109.02863	1.0
109.22783	0.7
118.06548	7.3
121.06454	0.7
121.10154	1.0
122.04294	0.8
127.03927	1.1
129.06966	0.7
130.06535	15.9
131.04941	1.3
132.08070	4.5
133.06512	1.7
143.07301	2.6
144.07007	1.3
144.08093	12.7
145.02910	0.7
145.04955	1.6
146.06015	54.4
147.04457	1.8
154.06505	0.8
156.08055	4.3
158.06017	2.4
159.09169	6.6
160.07623	1.2
165.09077	1.4
170.05994	3.9
177.05460	1.5
182.06010	1.1
184.07672	0.8
188.07074	48.5
200.07019	2.3
205.09735	44.3
206.09773	1.3
217.09857	0.6
224.10632	0.8
234.09160	5.6
236.10664	3.1
238.12254	9.4
247.10468	0.9
248.10687	1.5
250.12369	1.6
252.10143	4.1
265.13370	1.6
276.10104	0.8
279.09021	0.7
293.17102	0.8
294.11246	100.0
295.11655	1.2
303.05124	0.8
307.12112	0.8
311.13910	72.4
312.14240	1.5
336.12366	1.1
353.15021	1.3
455.18137	0.9
473.24313	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	473.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72484	0.8
53.03932	1.6
53.04616	0.8
55.01860	1.5
55.05495	2.4
55.48902	0.8
56.96550	1.8
57.03426	1.1
57.07074	0.9
59.72392	0.9
61.11739	1.1
67.05509	4.5
68.28422	0.8
69.03436	2.2
69.07048	3.5
71.04993	1.4
71.54499	1.5
77.95260	0.9
79.05505	5.0
81.03408	3.0
81.07066	9.1
83.08618	1.1
85.02895	3.2
85.06535	1.8
91.05480	5.2
93.07040	5.4
95.04955	2.4
95.08585	4.3
97.02879	2.9
97.06499	3.7
97.10166	1.1
98.97588	2.0
99.04446	3.0
103.05469	3.7
105.07027	6.8
107.04954	4.8
107.08609	5.0
109.02901	1.4
109.06493	2.1
109.10155	3.4
111.08118	1.0
116.98643	0.9
117.07008	1.0
119.04918	2.9
119.08574	3.9
121.02783	1.0
121.06471	1.1
121.10147	4.2
123.08044	1.6
123.11746	2.2
127.03912	1.9
129.06993	1.8
131.04939	5.3
131.08549	1.2
133.06403	1.4
133.10123	4.4
135.04372	1.1
135.08067	2.1
135.11702	1.4
137.05931	2.3
137.09616	1.9
145.10100	2.0
147.04414	6.9
147.11711	2.0
149.05968	1.4
149.09676	1.5
151.11162	1.0
155.10692	2.2
157.10056	1.4
159.08049	1.1
159.11723	1.4
161.09584	3.7
163.03831	4.4
165.09097	4.8
167.07079	1.1
169.04755	3.2
173.02415	1.6
173.13287	1.1
177.05437	1.4
179.10669	1.2
181.04955	4.6
181.08650	1.1
187.07544	1.4
189.09154	1.9
195.06596	1.4
197.05859	1.1
199.03943	1.6
203.06979	2.1
205.12143	1.1
207.10104	1.0
213.05397	1.1
215.05255	1.9
215.07076	1.2
217.04897	1.4
217.08553	1.7
231.06459	2.8
247.09634	1.4
249.07602	2.0
257.19016	1.1
293.21069	1.9
297.69812	1.1
299.08960	2.6
311.21915	1.7
315.08377	20.1
323.08948	1.4
331.07907	11.4
333.09476	4.0
377.10016	1.1
386.63614	1.1
411.14154	100.0
412.14114	1.8
413.17664	1.0
419.11459	1.2
427.13663	22.3
441.15326	4.2
455.13162	18.7
456.13104	1.3
473.14145	96.4
473.27921	28.8
474.14365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19320	0.7
57.03442	1.0
61.02924	1.4
69.03436	4.4
69.12151	0.7
69.54975	4.8
70.06649	0.8
71.04993	1.0
73.02902	0.9
79.05486	2.2
81.03421	2.0
85.02904	10.3
97.02903	3.4
99.04453	1.1
102.39638	0.7
107.04958	33.8
109.02878	1.3
118.06560	1.5
125.22551	0.7
127.03902	2.9
129.06953	1.0
130.06534	100.0
131.04948	1.2
131.06839	0.9
132.08157	1.5
143.07314	1.5
144.08116	5.3
144.14972	0.7
145.04961	1.0
146.06004	5.4
147.04314	0.9
154.06551	3.2
156.08101	1.9
158.06012	3.7
170.06044	4.7
182.06029	1.0
188.07063	8.5
191.08859	0.8
200.07053	6.6
205.09738	2.2
206.09694	7.5
217.09821	0.8
218.09731	0.8
220.07631	2.3
221.08441	1.2
222.09151	4.5
233.08336	1.2
234.09143	28.2
235.09871	1.3
236.10724	11.9
238.12212	1.2
248.10722	5.2
249.11086	1.0
252.10251	2.8
271.35721	0.8
276.10223	1.6
294.11249	91.2
295.11569	1.5
311.13901	51.0
323.23560	0.7
353.15173	1.7
455.18124	1.7
456.16638	5.7
465.57278	0.9
473.19022	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82058	0.6
56.08562	0.6
56.96565	0.7
58.24774	0.7
67.05492	0.8
67.57120	0.6
68.20968	0.6
69.03436	0.7
70.95508	1.8
72.38862	0.7
85.02905	1.1
86.09750	0.9
91.05479	1.1
93.07020	0.9
95.08586	0.7
97.06466	0.6
98.97585	3.6
99.38061	0.6
110.97572	1.4
114.95302	1.2
116.98666	0.8
119.47623	0.7
120.66017	0.8
123.04429	0.8
127.03970	0.8
128.98683	0.9
132.96419	0.9
147.04398	0.7
161.06091	0.7
163.03958	1.3
164.04277	0.9
183.71541	0.7
184.39902	0.6
219.01726	1.2
220.98051	1.0
237.02831	1.2
263.04599	0.8
283.06671	1.0
299.97107	0.7
311.07172	2.3
313.07718	0.6
323.01447	0.9
329.07825	0.7
473.12485	100.0
473.23077	19.1
474.12735	1.9
491.12234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05487	0.3
61.27080	0.2
67.05492	0.6
68.59877	0.3
69.03407	0.7
69.07057	0.4
69.66326	1.2
69.66738	0.6
72.05302	0.3
79.05486	0.4
81.03365	0.5
81.07065	1.5
85.02887	0.8
91.05457	0.9
93.07030	0.9
95.04923	0.4
95.08582	1.0
97.02856	0.7
98.97552	0.4
105.03423	0.4
105.71391	0.3
107.08563	0.5
109.02873	0.5
109.06439	0.4
109.10130	0.5
119.04961	1.5
121.02819	0.3
127.03899	1.1
131.04897	0.3
133.10097	0.4
135.11671	0.8
137.06020	0.3
137.09576	0.6
145.04921	0.3
147.04416	8.4
155.01889	0.4
155.03087	0.4
161.89215	0.3
165.09099	0.6
201.03766	0.9
203.05283	1.2
209.15433	0.5
275.07349	1.3
309.09683	0.9
333.07922	40.3
334.08276	0.5
335.09476	22.1
437.49231	0.3
453.12094	0.3
467.77350	0.4
471.22012	100.0
472.22330	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2206
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.03952	0.4
55.01897	0.3
55.05497	1.0
57.03418	0.4
64.28799	0.3
65.03931	0.5
67.05508	1.7
69.03439	2.3
69.07057	1.5
71.04982	0.5
71.54326	0.4
79.05486	1.2
81.03395	1.2
81.07056	3.1
83.04971	0.9
83.08618	0.4
83.43578	0.3
85.02891	1.4
85.06545	0.8
87.04473	0.4
89.20403	0.3
91.05490	2.8
93.07037	1.5
95.04942	0.6
95.08613	1.8
97.02890	1.3
97.06514	0.5
97.10181	0.6
99.04424	0.4
103.05480	0.5
105.03389	1.0
105.07018	1.2
107.04961	1.0
107.08598	1.1
109.02848	1.0
109.06575	0.4
109.10180	1.8
111.04444	0.4
111.08102	0.5
119.04939	4.0
119.08576	1.3
121.02840	1.1
121.06544	0.6
121.10138	1.2
123.08023	0.4
123.11676	0.7
127.03913	1.7
131.04918	1.0
133.10146	0.8
135.08035	0.4
135.11696	0.7
137.06030	0.4
137.09642	1.6
145.04985	0.6
145.10031	0.5
147.04416	27.7
147.11708	0.5
148.04759	0.6
149.13185	0.6
161.09601	0.4
161.13258	0.4
165.05501	0.5
165.09167	2.2
177.05510	0.4
191.14369	0.5
192.15234	0.4
193.12299	0.4
223.16954	0.6
245.10153	0.3
291.08771	1.1
291.19733	0.5
309.09744	2.9
309.16718	1.7
309.27896	0.8
318.29459	0.4
333.07840	0.4
379.66257	0.3
453.28781	0.4
471.22018	100.0
472.22235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3111
Annotation	ZHANKUIC ACID B
Peak:m/z	Relative Intensity
55.05516	15.3
56.96560	8.1
57.03455	2.9
57.07076	5.3
61.02920	7.0
62.68452	1.7
67.05509	28.2
69.03426	7.0
69.06725	3.0
69.07075	36.0
69.70923	6.1
69.71333	5.2
71.05000	4.3
79.05494	21.5
81.03437	2.6
81.07063	59.4
83.04967	2.6
83.08626	7.8
85.02905	6.7
85.06556	9.2
91.03916	2.2
91.05479	14.8
93.07053	35.8
94.35389	1.8
95.05004	2.7
95.08614	77.4
97.02898	3.8
97.06512	3.7
97.10164	5.3
98.97588	2.4
98.98500	2.4
99.08097	7.9
101.06003	2.5
105.07041	37.7
107.08598	46.7
109.06531	8.1
109.10166	57.1
111.08096	4.4
111.11739	6.4
114.05988	1.8
117.07019	8.1
119.08597	37.0
121.10158	62.3
121.11038	3.2
123.08072	8.5
123.11709	29.9
123.90032	2.2
125.09626	4.1
125.13245	3.1
127.07580	5.4
128.37804	2.2
129.06969	3.3
131.08571	21.4
133.06471	2.1
133.10143	54.3
135.08055	3.3
135.11694	30.0
136.99962	2.8
137.09624	3.1
137.13246	10.8
139.11229	3.3
141.09126	2.0
142.07793	2.6
143.07147	1.9
143.08566	13.0
145.10141	33.4
147.11699	22.9
149.09659	2.4
149.13255	11.0
151.07544	3.3
151.14854	2.8
153.09077	2.4
155.01057	2.6
155.07047	9.0
155.08533	2.9
157.08865	2.9
157.10106	15.7
159.11713	30.9
161.09673	3.3
161.13254	15.1
163.11147	2.6
163.14886	5.3
167.08530	1.8
169.08730	3.1
169.10141	7.3
171.11719	19.4
173.09581	2.4
173.13275	37.5
173.14703	3.0
175.11230	5.1
175.14850	14.1
177.09142	2.1
177.16400	2.8
181.10123	2.4
183.10170	3.1
183.11630	10.6
185.13255	18.7
186.14088	2.3
187.14842	24.8
189.16418	7.2
191.17821	2.5
195.11729	4.3
197.13269	24.3
199.14815	20.7
201.12790	3.4
201.16396	12.4
203.10512	2.2
203.14265	2.2
203.17949	5.7
211.14856	9.2
213.12901	2.2
213.16406	12.6
215.14392	3.8
215.17981	6.1
217.15858	2.2
221.11714	2.8
223.12987	2.0
223.14900	5.4
225.16475	9.9
227.17886	12.6
229.07405	2.9
229.15936	2.6
229.19545	19.0
239.18005	4.1
241.15919	4.4
241.19531	11.7
243.09023	6.0
243.17557	3.5
243.21027	5.6
253.15910	2.2
253.19557	10.2
255.21173	9.0
257.07129	5.9
257.22565	16.5
259.17007	2.5
259.24200	2.0
261.10123	5.0
263.16440	9.4
267.21164	6.4
269.22693	6.8
271.17014	2.8
271.20383	2.0
275.16510	6.1
279.21252	3.0
281.22638	7.3
283.08582	5.4
283.24182	9.2
285.18927	2.7
285.22107	16.5
287.16489	16.6
289.17856	2.3
293.22763	2.8
295.24243	5.3
296.10300	2.0
297.22092	7.2
297.25662	3.0
299.20242	2.8
301.09631	5.2
301.21616	4.3
303.10980	2.4
309.25739	2.6
310.09946	2.2
313.21640	9.9
315.23328	4.7
317.21255	2.7
323.10446	4.0
323.27295	5.8
324.11404	2.5
327.23099	4.5
329.21017	2.6
331.22781	12.9
332.11176	3.2
333.20804	2.0
335.27438	11.9
337.28928	15.7
341.24686	2.4
349.16400	3.2
353.32031	4.3
355.22446	2.1
361.29132	3.2
363.30450	9.5
379.29996	8.5
381.27875	96.2
381.31750	21.7
382.28250	2.5
383.29544	5.7
389.28476	3.9
391.29898	3.1
397.31223	12.5
407.29416	28.8
409.31393	11.5
425.30530	97.1
427.32074	33.1
435.28998	11.8
453.29831	24.9
462.21661	3.4
471.31049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.1
57.03436	0.2
61.02925	0.5
65.03951	0.5
67.05489	0.3
69.03430	2.9
69.07066	0.2
70.26701	0.2
71.56914	0.2
81.03425	0.5
81.07074	0.3
84.96043	0.2
85.02908	1.2
86.09717	0.2
91.05484	4.1
93.07039	0.2
95.08632	0.2
97.02873	0.5
98.97594	0.3
105.03397	0.4
105.07053	0.2
107.04944	0.6
107.08569	0.3
109.02906	0.4
109.10142	0.2
109.50175	0.1
119.04944	13.5
119.08537	0.2
127.03912	1.9
130.51393	0.1
131.04880	0.2
137.56058	0.2
147.04410	100.0
148.04784	0.9
154.48592	0.2
161.63652	0.2
165.05486	1.7
165.09155	0.2
227.84331	0.1
291.08679	1.4
309.09683	24.6
310.10052	0.3
411.17197	0.2
471.15067	0.8
471.21835	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	471.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.2
57.03410	0.2
61.02923	0.3
64.58831	0.1
65.03936	0.5
65.10449	0.2
67.05478	0.3
69.03432	6.2
70.29821	0.3
70.30209	0.3
71.04992	0.3
81.03403	0.5
85.02905	1.2
91.05480	4.5
95.04945	0.1
97.02897	0.9
98.97585	0.8
99.04444	0.4
107.04971	1.2
107.08547	0.2
109.02867	0.5
116.98669	0.2
119.04945	14.3
127.03935	3.4
127.11214	0.7
131.04898	0.2
133.06422	0.2
135.31360	0.1
140.82298	0.1
145.04961	0.3
147.04411	100.0
148.04732	0.7
157.06577	0.2
158.99626	0.3
165.05490	1.7
165.06743	0.2
167.53032	0.1
176.08279	0.2
177.00769	0.2
178.55289	0.1
185.05902	0.2
187.07561	0.1
207.10208	0.1
219.01929	0.2
225.02118	0.2
231.06587	0.3
279.04056	0.2
291.08649	4.0
291.11984	0.2
309.09705	11.6
323.08762	0.2
348.68185	0.2
401.17953	0.3
471.15140	0.7
471.22723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01871	0.5
57.03418	0.6
57.13164	0.4
67.05498	0.5
69.03432	5.9
70.06590	0.5
71.04983	1.3
71.07664	0.9
73.02909	0.5
79.69223	0.3
81.03412	3.7
81.07042	0.6
81.32809	0.3
85.02908	4.2
86.09674	1.0
87.04449	0.6
89.39207	0.4
91.05482	0.5
94.74902	0.4
95.04948	0.6
97.02898	8.3
98.97591	0.4
99.04472	2.3
99.08096	0.8
107.04976	0.4
107.08615	0.5
109.02876	3.1
109.06560	0.4
116.07081	0.6
116.98618	0.4
117.05492	0.7
119.04956	0.5
123.04472	0.6
127.03915	6.1
128.04962	9.5
128.26309	0.5
131.04884	0.5
137.06007	0.6
146.06015	100.0
147.04408	1.1
147.06389	0.8
158.99776	0.3
161.06056	0.4
163.07559	0.5
168.95222	0.4
169.07722	0.4
174.05513	82.0
175.05838	0.7
184.07265	0.5
216.06633	1.4
221.20499	0.3
264.84247	0.4
270.07571	0.9
278.11017	0.4
282.07581	1.1
300.08667	45.9
301.09146	0.5
318.09723	13.2
452.15442	0.9
470.16608	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	470.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34108	4.4
57.24522	6.7
57.50765	6.4
69.03432	9.0
70.67155	12.8
71.43598	4.9
79.05491	14.3
85.02898	7.5
91.05505	7.1
98.97578	8.2
107.04956	100.0
119.04951	5.9
121.06467	7.0
139.66882	4.9
147.04401	26.2
147.11748	7.9
150.86507	5.2
177.05426	6.3
184.07312	9.6
253.14252	5.4
470.19882	7.8
471.21866	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	470.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66330	0.9
51.02384	1.3
53.03936	3.2
55.01875	1.3
55.05503	2.5
56.96566	1.8
57.03412	1.1
65.03927	1.8
65.65263	0.9
65.97878	1.0
66.92585	1.0
67.05492	2.9
69.03430	6.0
69.07054	4.1
69.52740	7.5
79.05504	7.2
80.72819	1.0
81.03420	8.6
81.07052	3.8
83.04989	1.3
83.08602	1.7
85.02902	5.9
88.56345	1.0
91.05484	11.0
93.07049	32.1
95.04974	8.1
95.08627	5.0
97.02893	4.2
97.06530	4.8
98.21573	2.2
98.69983	1.1
98.97594	1.9
99.04449	1.2
105.02738	1.1
105.03405	2.4
105.07041	3.9
107.04928	1.5
107.07874	2.0
107.08601	34.3
109.02881	3.4
109.10152	3.4
116.98682	1.4
119.04955	2.4
119.08587	2.3
121.02875	100.0
121.10134	2.7
123.04451	1.3
123.11749	1.1
127.03925	3.9
131.04976	1.8
131.08562	1.7
133.10155	2.5
134.40526	1.0
135.11699	21.1
138.12114	1.1
139.03902	18.1
142.39569	1.0
145.04858	1.2
145.10037	1.1
147.04422	13.0
149.13243	2.0
163.03915	2.5
164.04178	1.7
167.07011	1.1
177.05402	1.1
180.02190	1.0
187.07561	1.3
197.57849	1.2
203.46733	1.1
215.07007	2.2
216.07428	1.8
219.10246	1.1
259.09546	2.4
260.10001	3.5
265.07196	12.2
277.10672	2.0
278.11014	1.7
283.08136	19.5
309.09650	1.2
333.13339	1.0
375.14346	2.0
470.20264	15.6
471.21622	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	470.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02928	1.0
53.03930	2.2
55.05498	1.9
65.03929	1.7
65.74935	1.0
66.47747	0.8
67.05495	4.3
69.03417	4.1
69.07056	2.6
71.05006	1.2
71.56912	1.1
79.05498	6.4
81.03423	7.0
81.07040	4.0
82.07379	0.9
83.05001	1.4
85.02918	5.0
91.05483	8.0
93.07047	29.9
95.04961	7.2
95.08583	2.4
97.02917	4.9
97.06520	5.1
98.97600	1.0
98.98460	1.1
105.03394	1.1
105.04508	1.1
105.07011	4.3
107.04944	1.9
107.07881	1.9
107.08600	35.4
109.02883	3.8
109.06508	1.8
109.10140	3.2
111.04438	1.5
119.04959	2.4
119.05946	1.0
119.08595	2.2
121.02872	100.0
121.10164	2.3
127.03905	3.9
131.04893	1.2
133.06566	1.1
133.10085	2.0
135.04335	1.0
135.11697	23.6
139.03909	18.7
140.06934	1.0
145.04921	2.0
145.10121	1.5
147.04411	10.0
147.11653	1.9
151.03406	1.1
151.11137	1.0
153.12735	1.8
157.10120	1.1
157.58340	1.0
163.03899	1.7
164.11514	1.1
173.02322	1.8
174.02681	1.2
185.13385	1.0
187.07585	1.1
200.71440	1.1
259.09573	2.5
260.10068	2.3
265.07141	10.8
278.11121	2.2
283.08139	22.6
311.15277	1.3
375.14337	2.0
470.20151	11.2
471.21832	6.0
494.39560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
55.01868	2.4
55.05497	1.1
55.66350	0.4
57.03429	1.5
59.04989	0.7
59.35553	0.4
60.08162	1.5
69.03088	0.8
69.03431	11.3
69.24531	3.9
71.04995	6.2
73.02912	0.7
81.03419	25.0
81.07042	1.3
83.04987	3.4
85.02893	2.1
86.09716	3.7
87.10027	1.1
91.05489	1.2
93.06998	0.6
97.02914	0.4
98.09718	1.0
98.20784	1.1
98.97576	0.4
99.03840	0.9
99.04453	10.7
100.11240	0.8
103.03936	1.8
104.10754	7.2
105.11052	2.2
106.47194	0.5
109.02879	9.5
116.10711	0.5
117.05476	2.0
118.06530	1.8
122.07435	0.5
124.99985	2.1
127.03903	2.6
129.05504	0.8
137.05943	0.9
144.90771	0.5
145.07607	3.9
147.04504	0.5
147.09174	8.1
162.07774	0.6
163.08656	0.9
173.07130	7.6
175.08662	10.7
182.15416	1.1
184.07364	6.1
185.07619	1.5
190.07376	0.6
191.08156	100.0
192.08543	0.7
199.08597	1.2
203.08144	0.7
204.08932	0.7
205.09801	0.8
210.14853	0.9
212.18427	0.4
213.10245	0.5
223.33264	0.5
231.11293	1.4
233.09225	1.0
243.11320	0.7
271.10870	2.5
289.11795	8.0
307.12888	32.8
325.13931	34.0
331.12863	8.5
349.13934	6.4
371.16092	1.0
384.76450	0.5
389.17072	3.5
391.14938	0.9
397.14069	4.4
407.17853	0.9
415.15027	13.2
433.16055	13.7
451.17184	13.3
451.23041	1.0
452.31134	0.9
469.24731	3.9
469.33820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01875	2.6
55.05516	0.6
57.03432	1.4
59.04978	0.4
67.05496	1.7
69.03087	0.6
69.03433	8.5
69.07077	0.6
71.01324	0.5
71.04998	8.1
71.54734	0.5
72.27763	0.4
73.02933	0.7
79.05479	1.6
80.70438	0.4
81.02987	0.7
81.03424	8.3
81.07062	2.6
83.04973	1.6
85.02923	1.9
85.06535	1.5
87.04469	0.4
91.05464	1.6
93.07042	2.1
95.04967	1.3
95.08613	2.9
97.02881	1.2
97.06525	0.6
98.67442	0.4
98.97578	0.9
99.04467	5.7
105.07027	0.9
107.04947	1.1
107.08602	1.3
109.02896	3.1
109.10155	1.5
117.05475	1.5
118.06564	2.3
119.04921	0.6
119.08577	0.6
121.02884	0.8
121.10134	2.1
123.04424	1.2
127.03945	1.0
127.72847	0.4
133.02884	0.4
133.10066	0.7
135.04399	0.5
135.11678	1.6
137.05991	0.7
140.04710	0.5
143.01863	0.6
145.07625	4.5
147.04424	1.5
147.06418	0.6
147.09204	3.0
155.06996	0.7
161.02907	1.3
161.13287	0.8
162.05527	0.9
163.05882	0.7
163.08690	0.7
165.05560	0.4
167.07005	0.6
173.07135	8.0
175.08684	4.3
183.06654	0.4
187.07489	0.4
191.08165	100.0
192.08524	0.7
200.04756	0.6
203.03937	0.7
214.50403	0.4
215.07088	1.4
217.19458	0.7
219.01866	1.0
233.09357	0.5
235.20544	0.7
237.02679	0.6
253.21646	1.4
259.09686	1.4
264.28513	0.5
271.10623	0.4
271.22720	3.9
277.10614	0.7
289.11774	4.4
289.18124	0.5
307.12900	68.5
308.13101	0.5
317.08508	0.7
325.13971	17.9
389.17029	0.7
397.14035	1.1
407.18094	1.9
409.16315	2.1
415.14847	1.2
433.16095	5.6
451.16965	0.9
453.16107	0.5
469.10956	0.6
469.16519	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	469.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.05527	2.3
57.03441	5.4
61.02902	1.0
67.05504	2.9
69.03432	14.3
69.44938	2.2
69.45355	5.2
73.02945	1.1
75.04498	7.8
77.03899	0.9
78.83622	0.9
79.05495	10.4
79.59526	0.9
81.03419	9.3
81.07062	3.3
83.04991	2.4
85.02914	16.4
87.04455	1.0
91.05486	13.7
93.03389	1.2
93.07052	84.6
94.37328	0.8
95.04988	5.8
95.08622	2.3
97.02901	7.0
97.06537	4.3
98.97613	1.2
99.04438	2.2
105.04525	1.5
105.06396	1.3
105.07041	9.6
107.04958	1.2
107.08605	7.1
109.02870	4.1
109.06522	0.9
109.10186	1.0
111.04421	2.0
111.08087	4.6
117.07020	3.0
119.08590	43.2
121.02888	1.4
121.06543	2.1
121.10152	100.0
122.10454	1.2
123.04414	1.9
123.08088	1.1
125.05946	1.0
127.03913	4.7
129.05511	2.8
129.06987	1.1
131.08578	3.4
133.07658	1.5
133.10172	2.1
135.07994	1.0
139.11203	1.7
141.05522	1.3
142.07587	1.0
145.02927	1.4
145.04984	3.7
145.10191	2.0
147.04504	1.0
147.07968	1.1
149.09634	42.6
153.69991	1.0
157.10115	1.4
159.11732	1.0
163.03941	2.8
165.09135	2.0
167.10684	46.1
168.10963	1.0
169.04977	1.2
173.02353	1.5
175.11151	1.2
187.11244	1.3
215.07097	3.0
237.02841	1.0
247.13287	1.1
259.09772	4.5
277.10739	4.0
283.15503	2.4
293.13840	6.2
311.14957	7.4
332.50601	0.9
369.15125	1.0
469.19864	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	469.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81194	0.8
55.01874	0.9
55.05499	1.0
57.03426	1.0
60.81698	0.8
61.02917	2.0
65.96650	0.7
67.05511	9.0
69.03426	4.9
69.07066	3.6
71.04995	1.1
71.54637	1.1
72.02126	0.7
78.96782	0.8
79.05484	3.3
81.03411	3.2
81.07057	3.8
82.06606	0.7
83.04967	1.9
85.02912	6.5
91.05483	1.9
93.07028	1.8
94.06559	3.0
95.04972	8.8
95.08607	1.6
96.04507	0.8
96.05283	1.1
96.08129	0.9
97.02890	3.4
97.06539	6.8
97.15356	0.7
98.97581	6.8
105.03400	0.8
105.07029	1.4
107.04977	5.8
107.08595	1.6
108.04488	1.4
109.02879	1.9
109.10162	1.9
110.06055	3.9
112.07610	0.8
115.05404	0.8
116.98605	1.9
119.04916	1.1
119.08569	2.0
121.06579	1.4
121.10149	1.4
122.06013	3.2
123.04411	2.8
124.07574	3.1
125.05950	1.1
126.09130	1.8
127.03903	2.2
131.08545	1.0
133.06506	1.6
133.10104	1.2
135.11696	1.0
136.03929	2.3
138.05513	10.8
139.03918	1.3
140.07043	6.5
142.80229	0.8
145.10039	1.1
147.04407	1.9
147.11699	1.0
148.07478	1.0
149.06052	1.2
150.05502	7.3
152.07082	6.8
154.05022	1.2
158.99625	2.8
160.07603	1.1
160.11205	1.1
161.06041	3.8
161.09639	2.1
163.03906	5.1
164.07074	1.2
166.05028	3.4
168.06602	1.1
171.08083	0.9
171.65508	0.9
173.05872	0.9
173.09601	1.0
174.09102	1.3
175.07564	1.7
176.08360	4.0
177.00694	2.7
177.05458	1.3
177.07848	1.1
178.08543	1.1
178.12286	1.9
182.04500	0.9
188.06982	0.9
188.10733	5.6
189.09177	5.7
190.09517	1.6
190.12318	1.8
191.08037	1.4
195.08109	1.0
198.09154	1.5
201.07733	1.3
204.10196	1.6
206.08139	1.9
206.11746	9.4
207.10185	5.0
213.08926	0.9
214.09435	1.0
215.07007	3.3
216.07303	3.5
216.10231	13.7
217.08626	2.5
218.11908	2.7
219.01831	1.6
232.09802	1.4
233.10429	2.2
233.12788	1.0
234.07657	2.0
234.11218	15.6
236.13657	1.7
243.11327	2.4
244.09717	22.2
245.08284	0.9
245.12791	1.4
246.11226	2.7
253.21593	1.3
254.14728	1.3
259.08148	1.3
259.10437	3.5
260.09296	19.1
261.12390	4.0
262.10751	39.6
271.10751	1.2
271.22598	1.1
272.09250	3.6
277.10770	3.1
278.11090	1.9
289.11862	10.5
290.10239	94.0
292.26779	1.0
307.12894	100.0
308.12961	1.8
365.12747	1.4
383.13876	1.8
409.15347	1.4
469.18152	38.8
470.19263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1708
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
53.03943	0.8
53.79057	0.6
55.01863	0.7
55.05505	1.0
56.96548	0.6
63.34158	0.5
67.05495	1.8
69.03429	3.3
69.07063	2.3
71.04998	1.1
71.20764	0.6
71.54226	0.9
79.05497	2.8
81.03427	3.3
81.07072	2.7
83.04972	0.6
83.08577	0.6
85.02888	2.7
89.03917	7.3
91.05466	3.3
93.07063	5.3
94.81181	0.6
95.04979	0.8
95.08595	2.0
97.02885	2.6
97.06532	7.5
98.97588	1.9
105.03392	1.5
105.07034	2.2
107.04932	1.3
107.08587	2.2
109.02853	1.8
109.10162	1.5
110.49305	0.6
111.08098	1.1
116.07091	0.8
117.03387	19.7
119.04932	0.9
119.08568	2.0
121.10164	5.0
123.04439	0.7
123.11698	0.7
127.03915	2.7
131.04982	0.9
133.02892	0.8
133.10141	1.1
134.03644	1.2
135.04443	2.1
135.08049	1.7
137.05988	1.3
139.03876	0.9
145.02849	46.9
145.10017	0.7
147.04451	3.0
149.05991	7.1
149.09610	2.2
151.03944	0.7
161.02400	2.0
161.09653	1.0
163.03932	6.8
167.10670	1.5
173.02345	5.0
175.12590	0.6
177.05475	100.0
186.05493	1.0
189.12709	0.7
191.03429	1.5
195.06464	1.7
205.04863	0.5
215.07047	5.2
215.14351	0.6
237.02867	0.6
259.09689	10.6
277.10748	7.1
280.56647	0.5
289.11121	0.7
307.02005	0.6
307.11798	0.9
307.18900	1.0
321.09708	4.0
339.10748	6.2
351.14081	1.7
469.14395	1.0
469.19934	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05531	1.7
56.28401	1.7
57.03441	2.0
60.66287	1.8
61.35437	1.8
65.03893	2.6
67.05507	9.6
69.03430	4.0
69.07053	6.3
69.43129	14.8
71.04984	4.2
79.05482	7.9
81.07066	23.1
83.04984	8.9
85.02907	3.4
89.40875	1.7
91.05479	6.0
93.07047	27.3
95.04981	9.6
95.08615	22.3
97.06545	17.6
99.04444	12.6
104.10727	3.8
105.07038	18.3
107.04967	9.9
107.08610	11.6
109.06518	18.3
109.10145	4.9
111.08072	7.9
113.06007	3.0
119.08586	6.9
119.30882	1.6
121.06507	47.5
121.10163	3.8
123.04415	4.1
123.08011	2.9
123.11705	4.7
125.05989	7.3
127.07539	6.6
129.07062	2.3
131.08572	4.8
133.10118	9.3
135.04459	3.4
135.08051	6.3
137.05989	2.4
139.07552	11.5
142.07733	2.1
143.07059	6.0
143.08595	3.2
143.54826	1.8
145.10104	3.6
147.08029	2.2
147.11700	29.0
151.11189	3.4
157.08589	8.3
157.10121	11.3
159.06566	7.1
161.06004	5.4
161.13264	8.2
163.03954	7.3
165.12738	9.2
169.12222	10.5
171.11711	8.6
173.05952	2.9
175.11157	18.3
175.12422	2.3
181.10074	3.3
184.07365	2.3
189.09108	6.7
189.12790	12.9
193.12267	21.0
199.11214	18.3
206.96605	2.1
207.13812	7.0
211.13274	18.1
215.07059	7.9
217.12242	57.6
229.14388	7.7
235.10953	4.3
235.13304	79.9
253.14359	100.0
259.09753	18.1
271.15448	21.1
289.16409	19.4
312.62503	2.0
326.43884	1.8
468.15704	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	469.1682
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
67.05488	0.9
69.19089	0.4
71.33745	0.8
83.01095	1.6
85.02887	0.8
85.06538	0.5
90.05552	1.8
95.01096	2.1
95.04970	0.7
96.01874	0.9
97.02883	0.5
98.02401	0.5
107.04943	0.6
109.02891	0.5
109.06493	0.5
112.01363	0.7
113.02151	3.2
123.04449	0.6
124.07578	0.5
128.07066	1.5
129.07458	0.6
145.04877	0.4
147.04405	1.1
157.04785	0.7
162.05525	0.7
167.03194	0.5
177.05371	0.5
183.06573	0.6
185.04192	4.6
185.09840	0.5
191.05371	0.7
201.03722	1.5
203.05392	0.9
217.04774	2.0
219.30510	0.4
220.11807	2.8
221.12057	2.3
232.07068	14.4
243.08582	0.6
259.07922	2.1
275.09000	1.6
277.10730	1.0
323.31287	0.5
438.14926	2.0
439.15771	1.2
450.93558	0.5
469.16837	100.0
470.17270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26232	0.7
53.03934	0.7
56.96563	2.1
61.02923	1.0
69.03440	1.9
71.53846	0.9
73.02905	0.7
79.05477	1.5
81.03413	0.9
85.02914	5.6
93.07058	1.1
95.04952	0.7
97.02892	2.2
98.97594	4.4
103.05474	6.2
105.03411	0.7
107.04975	3.0
110.97562	1.2
111.04469	0.6
112.99204	0.6
116.98638	0.9
120.08115	100.0
121.08453	1.1
122.76830	0.6
123.04461	2.0
127.03943	2.3
128.98610	0.9
131.04955	2.5
135.04442	0.7
136.06195	1.2
139.03934	0.9
141.05444	0.7
144.48111	0.7
145.04941	1.0
149.05986	2.4
153.01929	0.6
158.99675	1.0
163.03946	2.2
163.13585	0.6
165.05513	0.6
166.08650	49.8
218.06044	0.6
219.01752	3.2
236.07175	0.9
237.02950	3.1
257.54187	0.6
258.86285	0.6
260.06363	0.7
306.06552	0.8
317.08817	0.8
331.07178	0.8
336.10693	0.8
341.06180	0.6
342.62259	0.7
349.08313	1.2
373.26657	0.7
468.11652	1.3
468.18976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57003	0.3
56.05033	0.8
58.06607	0.5
60.08170	6.0
67.05501	0.9
69.03434	0.9
69.07062	0.5
70.06582	0.7
71.05002	0.6
71.07378	2.5
71.56641	0.4
73.02910	0.3
79.05483	1.2
81.03408	0.7
81.07062	1.6
82.07392	0.3
83.04983	0.4
85.02917	1.9
85.06540	0.3
86.03220	0.3
86.09712	30.4
89.01958	0.3
91.05472	1.1
93.07049	1.4
95.04981	0.4
95.08626	0.7
97.02879	0.9
98.97556	0.6
98.98480	2.6
104.10755	4.1
105.07022	1.2
107.04954	0.9
107.08584	0.8
109.02849	0.4
109.06511	0.4
109.10129	0.5
110.06026	0.4
116.59363	0.3
116.98598	0.4
117.03414	0.7
119.04910	0.4
119.08585	0.6
121.10179	0.7
125.00018	19.7
127.03925	0.6
130.08679	0.3
135.08061	0.4
137.05966	1.0
138.76657	0.3
145.02846	1.1
147.04469	0.4
147.11757	0.4
149.06013	0.4
154.04988	1.0
161.05969	0.9
162.05540	0.5
163.17743	0.3
172.62367	0.3
176.03432	0.5
177.05463	3.2
184.07353	100.0
190.05002	0.3
191.03798	0.3
201.11037	0.3
215.07001	0.4
219.01736	0.6
227.16336	0.4
237.02863	0.4
259.09592	0.6
264.13565	0.5
287.05493	0.8
290.06284	0.7
292.12933	0.4
303.04852	0.4
304.05374	1.7
305.05478	1.2
306.05817	2.3
309.15512	0.9
323.08002	0.6
336.89502	0.3
337.15228	0.5
367.06894	0.3
385.07730	0.4
450.22647	1.4
451.24115	0.3
468.17535	0.8
468.23758	6.4
469.16476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
51.86137	0.2
53.03948	0.7
57.03441	0.2
57.75840	0.1
67.05504	0.4
69.03435	1.1
69.07073	0.5
70.58629	0.5
70.58982	0.2
77.03947	0.5
79.05500	0.4
81.03422	1.2
81.07068	0.8
82.07368	0.3
85.02914	0.9
93.07022	0.3
95.04971	0.7
95.08611	0.2
97.02897	0.7
97.06550	1.2
99.04436	0.3
103.05473	23.9
107.08575	0.2
109.02913	0.4
109.10152	0.3
109.97917	0.2
127.03915	0.7
131.04935	100.0
132.05225	0.8
137.05988	0.3
145.04970	0.3
147.04437	0.3
149.05995	4.5
163.03941	0.6
170.87056	0.2
173.02467	0.4
179.07031	0.3
182.00763	0.2
191.14151	0.2
202.41280	0.2
215.07002	0.5
259.09653	2.0
275.09140	1.2
278.83685	0.2
287.20099	0.4
288.20407	0.7
293.10211	6.8
296.62869	0.2
336.82312	0.2
426.08881	0.2
468.22864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.1
51.02390	0.2
53.03946	0.6
53.72430	0.1
55.05501	0.2
55.96090	0.1
57.03437	0.3
61.02929	0.2
62.35045	0.1
69.03430	1.8
70.94305	0.3
70.94660	0.2
71.04991	0.3
72.99657	0.1
73.02919	0.2
77.03935	0.4
77.72263	0.1
79.05484	0.2
81.03422	4.5
81.07030	0.7
82.07363	0.2
85.02908	2.1
91.05483	0.2
93.16738	0.2
95.04953	0.4
97.02891	3.6
97.06509	0.3
99.04459	0.6
102.04627	0.2
103.05471	20.4
105.07046	0.2
107.08548	0.2
109.02877	2.2
113.06021	0.2
127.03929	1.7
131.04932	100.0
132.05261	0.6
140.75922	0.2
145.04976	1.0
149.05984	11.3
163.04007	0.2
165.12785	0.2
171.50291	0.2
172.88176	0.2
233.07838	0.1
251.44028	0.1
257.08057	0.2
259.09686	0.4
275.09149	6.0
293.10205	12.4
294.10434	0.2
468.22607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63446	1.1
53.60787	1.0
55.05518	12.1
57.03439	2.3
57.07080	35.3
59.04994	4.5
65.03937	3.4
67.05509	95.8
69.07076	7.2
71.04990	2.7
71.08635	23.1
71.54311	1.2
79.05481	1.9
81.07059	26.6
83.08621	13.9
84.96021	1.1
85.06541	2.9
85.10183	14.6
86.12233	1.0
89.05990	1.5
91.05488	5.8
93.07039	4.7
95.08057	2.1
95.08612	23.9
97.06563	1.6
97.10172	4.0
107.08581	2.1
109.10159	69.1
110.10471	1.1
111.08077	2.1
119.08605	5.1
123.11723	3.7
133.08627	1.4
137.09648	2.0
137.13260	1.8
155.10686	4.8
163.51405	1.1
173.11757	21.7
239.23720	7.2
243.62215	1.2
467.37366	100.0
468.37631	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3007
Annotation	Virescenoside Q
Peak:m/z	Relative Intensity
53.03939	7.5
55.01872	5.4
55.05511	40.3
56.96558	2.2
57.03434	5.0
57.07059	6.2
65.03928	2.7
67.05508	33.6
69.03430	31.2
69.07071	58.8
71.04990	8.7
71.08627	2.5
73.02914	2.4
79.05029	0.7
79.05492	30.5
81.03420	36.5
81.07056	100.0
83.04984	11.3
83.08627	11.7
85.02908	13.3
85.06543	11.4
88.95509	1.2
91.05485	31.5
93.07048	52.5
95.04962	12.6
95.08607	79.8
97.02888	15.4
97.06532	15.5
97.10169	40.8
98.97575	3.9
99.04456	10.2
99.08097	4.6
103.05452	2.3
105.03381	4.1
105.07033	54.1
107.04958	6.7
107.08595	61.9
109.02885	15.6
109.06532	10.4
109.10161	42.1
111.04451	7.0
111.08080	15.2
111.11713	8.2
113.09619	1.7
115.03905	2.6
117.07006	6.2
119.04972	2.6
119.08582	33.1
121.02881	21.0
121.06509	5.6
121.10142	43.7
122.44592	1.4
123.04434	6.2
123.08095	9.7
123.11703	43.5
125.02396	1.6
125.09628	13.3
127.03928	18.8
127.11227	1.7
128.06256	1.9
129.06999	5.6
131.04889	2.6
131.08583	14.8
133.06520	3.6
133.10129	39.7
135.04445	2.0
135.08067	7.8
135.11696	26.6
137.05974	5.6
137.09605	5.1
137.13246	9.2
139.03943	2.0
139.07506	2.0
139.11192	19.0
142.07782	3.3
143.08600	8.2
143.10680	5.4
145.06441	2.3
145.10139	17.5
147.04356	6.4
147.08067	5.9
147.11687	32.1
149.09634	7.8
149.13264	33.6
151.03894	1.9
151.07521	3.6
151.11209	6.6
151.14767	1.8
153.09140	2.0
153.12749	5.1
155.08562	4.2
157.10141	9.7
157.12234	9.5
158.76591	1.4
159.08086	3.4
159.11700	18.1
161.05998	1.8
161.09637	13.4
161.13252	17.4
163.03905	2.0
163.11218	10.3
163.14803	11.7
165.09114	4.2
165.12746	7.4
167.08487	1.6
167.14354	4.1
169.10139	5.4
171.08054	3.4
171.11688	7.6
171.13815	1.4
173.09605	6.1
173.12021	1.7
173.13246	9.2
173.23430	1.5
175.07565	2.1
175.11188	4.3
175.14859	8.2
176.14989	1.3
177.05492	2.5
177.09142	2.2
177.12779	4.0
177.16400	2.9
179.10695	4.2
179.14317	3.3
181.10184	1.9
181.12257	3.1
181.15892	2.2
183.11659	3.7
185.09604	2.9
185.13275	5.2
187.11143	4.0
187.14795	7.7
189.09117	3.5
189.11232	1.8
189.12764	6.3
189.16374	8.6
191.10698	2.5
191.14305	2.2
191.17935	2.4
193.12437	1.6
193.15851	2.0
195.11691	3.3
197.13231	3.2
199.11255	2.7
199.14835	3.3
201.12793	2.6
201.16385	2.9
203.12730	2.7
203.14401	3.2
203.17912	3.4
205.15891	2.3
207.10147	2.3
207.13783	1.9
207.17482	1.9
209.13359	1.7
209.15312	1.7
211.14908	2.7
213.12790	7.1
213.16409	3.8
215.14326	2.2
215.17972	2.1
219.17546	2.1
221.19087	2.1
225.12778	2.0
225.16396	5.3
227.14397	4.5
229.15852	3.5
229.19527	2.6
231.13803	2.9
231.17432	2.0
235.17010	2.1
243.13815	1.6
243.17520	7.8
249.18481	4.2
257.04468	1.5
259.24323	2.7
261.18472	5.4
269.22678	2.9
273.14853	1.7
275.23660	2.2
277.25339	5.2
285.22174	1.7
287.23688	8.4
302.15677	2.2
302.65817	4.0
303.23190	3.0
305.24753	26.3
315.23172	2.9
323.25885	2.4
329.24805	3.2
333.24451	2.2
347.25906	2.3
351.14340	3.8
359.25983	1.4
367.26068	2.7
371.25842	1.9
383.25900	1.5
385.27255	4.9
389.26669	3.4
395.25827	4.1
401.26648	3.0
403.28821	1.7
413.26636	15.9
419.27121	1.5
431.27744	19.6
449.28940	28.6
467.22415	10.9
467.29871	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1527
Annotation	TERNSTROSIDE C
Peak:m/z	Relative Intensity
50.51207	0.2
53.03956	0.2
55.01856	0.3
56.31261	0.3
67.05502	0.9
69.03421	0.5
70.06588	0.3
71.04990	0.6
71.54562	0.3
79.05464	0.4
81.03449	0.5
81.07063	1.0
85.02896	0.7
85.06544	0.5
86.09726	0.2
91.05476	0.7
93.07039	0.7
95.04975	0.2
95.08613	0.6
97.02910	0.8
98.97585	0.7
99.08062	0.4
103.05453	0.5
105.07035	0.4
107.04956	0.3
107.08597	0.5
109.02892	0.3
109.10186	0.4
111.08111	0.3
119.04948	0.3
119.08548	0.3
120.08120	0.3
121.10152	0.6
123.04420	0.6
127.03885	0.4
129.05507	0.3
131.04932	0.6
131.08527	0.2
133.10074	0.5
135.11688	0.4
136.07553	0.3
137.06035	0.7
137.09636	0.5
147.04437	1.2
151.04013	0.5
153.01839	0.3
155.76701	0.3
159.06377	0.3
162.05554	0.5
163.07422	0.2
164.07121	0.4
167.06895	0.3
179.03461	0.3
190.05034	0.3
237.02985	0.3
241.13290	0.5
269.12860	1.2
269.21182	0.4
275.04285	0.3
287.13965	0.8
300.63455	0.3
303.05045	0.8
304.05347	0.7
305.05600	0.7
305.14987	1.0
395.10019	0.3
395.35468	0.2
467.15253	100.0
468.15533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1893
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
53.86618	0.3
65.01582	0.3
67.72231	0.3
69.54173	2.1
70.60876	0.3
73.86356	0.3
74.53047	0.3
81.03384	0.3
85.02902	0.8
96.31632	0.3
98.21496	0.6
98.97568	0.3
107.04949	0.4
123.04460	2.3
124.04769	0.3
127.85095	0.3
135.04356	0.3
137.02353	0.5
139.03929	0.5
141.06616	0.5
147.04456	0.5
149.02338	2.2
153.01862	3.1
164.07088	0.8
167.03497	0.4
169.09697	1.2
171.05051	0.7
179.03442	0.4
181.07204	0.4
185.04286	0.4
195.02924	1.2
203.05196	0.5
211.04655	0.5
213.05600	0.4
219.87894	0.3
231.06555	2.1
259.05972	1.7
260.18015	0.4
261.13373	0.6
271.06171	0.4
273.06580	0.5
278.34225	0.3
279.14429	4.9
287.05542	1.4
287.12506	1.5
293.09006	0.4
297.15421	0.7
305.06644	3.1
305.12152	1.7
305.15628	0.3
313.13937	0.4
323.13376	4.6
329.12338	0.4
347.13403	4.7
365.14551	2.8
410.53467	0.4
449.17953	2.2
467.18884	100.0
468.19232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1164
Annotation	BENFOTIAMINE
Peak:m/z	Relative Intensity
56.96561	0.7
57.03428	0.5
60.86131	0.4
69.03423	1.3
70.58569	0.4
70.63263	0.4
79.05466	0.5
81.03426	0.9
81.07021	0.5
85.02908	2.5
88.37482	0.4
94.71295	0.4
97.02868	1.2
98.97598	2.4
105.03364	0.7
107.04955	3.3
108.05283	0.7
109.02885	0.7
116.98621	0.6
123.04449	1.6
127.03943	0.8
136.07632	0.4
137.02371	1.2
137.05997	0.9
139.03888	0.9
145.04945	0.6
147.04456	0.5
149.02390	1.5
149.09236	0.4
151.03955	0.5
153.01811	1.9
158.99696	0.8
163.03914	0.5
164.07063	1.2
177.00719	0.5
195.02882	0.6
199.02132	1.9
215.05846	0.6
231.06569	0.9
259.06116	1.9
287.05597	1.6
305.06351	21.2
319.12384	0.6
365.14542	0.5
407.09735	0.5
467.11646	100.0
467.18481	6.8
468.11832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1189
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
54.53028	1.0
54.64577	1.3
56.96569	1.0
61.02916	1.0
61.16314	1.0
65.03955	1.7
67.01878	1.5
68.99812	2.9
69.03439	2.8
71.30326	2.0
81.03423	1.8
85.02908	6.5
89.89339	1.1
95.04997	2.9
97.02937	2.5
98.97601	1.6
105.98983	1.0
107.04971	2.9
111.04469	4.5
116.98664	1.1
121.02863	7.3
123.04440	53.4
127.03905	5.2
133.02879	3.3
135.04440	1.9
137.02397	3.5
137.06052	2.8
139.03918	8.8
141.06667	1.2
147.04453	4.4
149.02354	76.0
150.00937	1.2
151.03865	5.1
153.01840	100.0
157.06572	2.4
159.07791	1.0
161.02383	5.4
163.03999	1.4
164.07176	1.7
165.01974	2.0
167.03423	12.1
167.04753	1.2
171.02965	2.6
175.03993	1.4
179.03452	3.8
183.02904	1.3
185.06010	6.7
189.05576	1.3
195.02893	24.5
203.03490	1.9
213.05469	11.5
217.22324	1.2
231.03076	2.3
231.06540	57.2
231.81551	1.2
241.05020	7.4
249.04050	1.1
250.56033	1.1
251.04814	1.1
258.05655	1.7
259.06030	64.9
269.04315	1.1
269.12985	1.6
287.05527	33.2
287.13922	1.8
301.06790	1.0
305.06564	92.2
306.07016	2.4
317.06595	1.7
347.07312	1.2
347.13818	1.2
371.07730	1.7
383.08356	1.6
467.19055	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01869	1.7
55.05510	1.2
57.03448	4.1
57.07072	0.6
59.05001	0.7
59.64627	0.6
60.18030	0.5
61.02931	2.7
67.05502	2.5
69.03436	7.4
69.07063	1.3
71.01357	0.6
71.04999	0.8
71.54809	1.0
73.02920	14.5
79.05496	6.2
81.03429	2.4
81.07060	100.0
82.07400	0.6
83.08648	0.6
85.02907	21.2
87.04479	1.6
91.05482	1.1
93.07053	2.3
95.04990	0.7
95.08612	8.7
97.02895	14.4
98.97594	0.6
99.04473	1.2
103.03967	1.3
105.07042	1.4
107.08611	1.0
107.56992	0.5
109.02892	2.3
109.06611	0.7
109.10188	1.4
115.03939	6.1
119.08594	1.3
123.11762	0.9
127.03933	8.8
133.04979	10.1
133.10175	0.8
135.11667	0.8
137.13263	30.6
145.04971	10.2
147.04437	1.0
149.07532	0.6
163.06038	9.6
198.09741	0.6
217.07230	0.9
223.06081	2.4
241.07095	2.7
259.08136	8.3
269.21164	1.2
277.09290	2.4
281.17529	0.8
295.10284	6.8
299.19028	0.8
303.04959	0.8
304.05524	0.8
312.13022	0.7
317.19751	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.7
57.07081	18.5
63.62797	3.0
67.05525	20.8
69.03461	3.3
69.07074	30.4
69.28990	30.3
71.08650	17.3
79.05498	8.5
81.07054	35.6
83.04977	4.2
83.08620	14.8
85.06542	7.2
85.10185	13.4
85.24908	3.3
91.05484	12.5
93.07056	23.6
93.07608	4.4
95.05013	4.5
95.08615	38.8
96.08981	3.8
97.06551	5.0
97.10176	13.2
105.07046	10.8
107.08603	29.0
109.06490	5.2
109.10188	30.7
111.04483	4.3
111.11722	7.0
117.07039	4.6
119.08603	21.3
121.10165	19.8
121.10920	4.0
123.11701	10.6
125.06087	5.6
129.05437	4.9
131.08591	16.3
133.08534	3.9
133.10127	16.0
135.11711	9.0
137.13269	9.5
143.07068	12.5
145.10159	11.3
147.11702	13.2
149.13271	9.3
157.10185	4.8
159.08093	3.9
159.11682	8.3
161.13228	4.7
163.11012	3.5
163.14868	6.3
169.32773	3.6
171.11794	5.0
172.05983	5.3
173.13219	6.3
175.14851	9.2
177.09090	9.4
179.10638	4.8
185.13231	3.4
187.14845	7.6
189.16389	6.6
191.10768	7.2
199.14926	4.9
213.16341	4.5
217.12218	3.7
234.63850	4.2
239.14853	5.5
259.16824	4.1
273.18509	4.8
291.19461	4.5
327.30508	9.3
329.32074	22.8
331.76117	3.5
333.31488	4.9
343.33646	4.3
353.32001	7.0
371.33093	9.6
413.34232	47.8
431.35281	100.0
449.36325	8.4
466.36273	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	466.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01869	0.7
55.05510	0.9
57.07079	7.1
59.04998	1.5
61.02930	0.7
67.05502	1.6
69.03418	2.0
69.07066	2.9
70.02944	1.5
71.04969	0.9
71.54169	0.7
72.04529	5.8
73.02903	1.4
74.02448	0.5
79.05479	1.0
81.03432	3.4
81.07041	1.3
83.04994	1.1
83.08651	0.6
85.02907	2.0
85.06552	5.0
86.09711	1.1
87.08109	0.6
90.05561	42.6
91.05476	1.5
93.07056	1.0
95.04963	2.4
95.08623	0.6
96.08124	0.6
97.02913	2.4
98.02419	7.2
98.97546	1.3
99.04488	0.6
100.03938	1.2
103.07582	3.5
105.07028	0.6
107.04937	0.6
107.08626	1.2
109.02882	1.6
109.10147	0.6
113.06010	1.6
116.03462	6.2
119.08594	0.8
121.10216	0.5
124.07603	8.5
127.03899	1.7
131.07031	0.6
135.11639	1.0
139.11278	0.5
142.08646	4.0
147.04420	1.8
156.10229	0.8
160.09683	1.1
166.08670	1.3
174.11264	0.8
184.09703	10.7
202.10765	16.7
220.11815	100.0
221.12192	1.1
229.10706	1.2
237.02803	0.6
249.11176	0.7
257.08636	0.8
264.07626	0.9
288.05841	0.6
303.04861	0.8
304.05377	2.9
466.16266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01872	1.5
55.05505	0.9
57.03439	3.0
57.07064	1.6
59.04985	0.3
61.02923	1.8
65.03931	0.4
67.05508	3.3
69.03432	6.9
69.07062	2.4
69.40932	1.8
71.01334	0.7
71.04996	0.4
73.02919	11.7
79.05495	8.4
81.03426	1.4
81.07056	100.0
82.07393	0.5
83.04989	0.2
85.02905	19.0
87.04465	1.1
91.03966	0.6
91.05502	0.3
93.07050	0.9
95.04971	0.5
95.08609	16.1
97.02893	12.1
98.21478	0.4
99.04463	0.7
103.03944	0.8
105.14268	0.2
107.08624	0.4
109.02885	1.5
109.10194	1.1
115.03928	6.0
118.19825	0.2
127.03925	6.0
127.04819	0.5
133.04967	9.9
137.13257	21.8
144.06561	0.4
145.04961	8.9
150.07643	0.6
154.15938	1.0
157.05067	0.3
163.06020	5.8
181.05022	0.4
193.04985	0.3
199.06076	0.8
211.06035	0.2
217.07129	0.6
223.06026	1.9
241.07068	2.8
259.08148	4.5
262.75684	0.2
276.07892	0.2
277.09268	0.9
295.10226	2.5
330.13959	0.4
463.80637	0.3
466.28653	0.3
467.22632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01542	0.8
55.01859	0.9
55.05513	3.4
57.03445	1.9
61.02916	1.0
64.35069	0.7
67.05503	2.8
69.03429	5.1
69.07067	2.6
69.69891	4.6
70.06591	3.1
71.04984	6.1
72.98368	0.9
73.02921	1.8
79.05495	6.7
81.03434	6.2
81.07050	4.1
83.04995	1.3
85.02911	8.6
85.06548	1.5
89.06040	43.4
91.05478	11.9
93.07050	36.6
95.04971	2.9
95.08603	3.3
97.02897	13.6
97.06528	3.7
98.97581	3.9
99.04485	2.6
105.07038	4.1
107.04974	2.5
107.08603	43.5
109.02862	5.1
109.06554	1.3
109.10146	3.0
111.04458	1.4
111.08122	1.1
112.07600	2.3
117.03429	1.6
119.04928	4.9
119.08598	2.0
120.08126	1.3
121.02877	1.4
121.06503	0.9
121.10158	2.5
123.04397	1.1
127.03918	5.8
131.04979	1.4
133.10074	1.2
135.06529	11.3
135.11700	36.2
137.05981	2.0
139.11200	1.0
145.02863	5.6
145.04999	6.1
146.06056	1.4
147.04419	28.0
147.11685	1.1
148.04787	2.0
151.31245	0.9
153.01846	1.2
153.12744	1.5
154.05055	1.1
158.08150	2.4
158.99643	1.0
161.06044	1.1
162.05545	5.2
163.03929	1.0
165.05469	1.0
166.08730	1.0
167.07158	1.3
174.05492	1.0
177.05493	12.0
189.51855	0.9
190.05013	2.8
197.08127	1.4
215.09100	1.1
225.34659	0.9
237.02646	1.1
243.08643	1.1
257.12595	1.2
258.05145	7.0
259.05606	11.0
260.05862	9.7
261.06076	10.6
261.09708	3.7
269.21204	1.0
279.10818	2.9
279.15854	1.0
280.07837	1.3
286.04694	11.0
287.05103	25.3
288.05286	26.9
289.05533	31.7
296.44302	1.0
301.07114	27.0
302.07416	71.8
303.07669	63.9
304.07956	100.0
305.08392	1.3
315.54977	1.0
316.08142	1.1
409.05026	0.9
466.12579	2.8
466.17679	3.4
467.18677	0.9
489.18042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.0
53.45928	1.1
55.01864	5.7
55.05514	27.6
57.03443	17.6
57.07084	3.6
65.03943	3.2
67.05505	58.6
69.03426	10.6
69.06728	1.9
69.07072	25.2
69.87143	7.3
71.01337	2.8
71.04990	8.1
79.05494	50.4
81.03416	49.6
81.07058	52.3
83.04981	15.2
83.08617	20.5
85.02909	21.6
85.06542	4.8
91.05482	44.0
93.07044	63.1
95.04971	38.4
95.08609	26.5
97.02888	5.3
97.06525	13.0
97.10170	20.3
98.21478	1.4
99.04428	2.7
99.08090	1.8
100.44344	1.3
105.04467	1.7
105.06393	2.4
105.07038	30.4
107.04946	8.3
107.08595	36.2
109.02891	4.6
109.06519	9.7
109.10150	15.7
111.04454	3.1
111.08076	10.4
113.06042	2.3
115.05430	2.4
117.07015	11.0
119.04948	2.7
119.08586	25.2
121.06505	5.8
121.10143	15.6
123.04418	2.1
123.08049	5.3
123.11712	8.1
125.06012	2.1
125.09629	7.1
127.03921	3.3
129.07022	8.8
131.08568	14.6
133.06543	3.9
133.10132	15.1
135.08060	4.6
135.10693	3.0
135.11691	41.2
137.06024	2.2
137.09637	5.1
137.13225	1.6
139.03940	3.5
139.11122	3.5
142.07799	2.5
143.08525	3.8
143.10701	3.1
145.10124	16.4
147.04460	2.1
147.08043	3.8
147.11665	15.1
149.09612	5.6
149.13255	2.9
151.07520	2.1
151.11137	2.0
153.09128	1.5
153.12733	3.2
155.08514	1.8
157.10123	13.3
159.08081	1.3
159.11705	4.6
161.06017	1.5
161.09656	3.0
161.13303	3.3
163.11183	9.1
163.14882	2.0
165.12762	3.0
169.10048	2.5
171.11703	2.4
173.13268	3.0
175.11215	9.4
175.14861	2.3
177.12801	3.7
181.12239	7.7
184.28242	1.4
185.13318	1.5
187.11253	2.7
187.14824	2.0
189.12737	2.1
193.10432	2.2
193.12248	36.3
197.13388	2.2
197.36447	1.4
201.16473	1.5
203.03416	1.6
203.14362	1.6
211.13277	43.0
211.16457	1.6
219.13837	2.3
223.13266	1.4
229.05077	1.9
229.07288	1.5
242.05643	1.9
249.14857	1.6
255.15924	11.0
255.20714	1.3
257.04413	10.0
258.05289	2.3
267.15927	13.0
285.03827	1.7
285.17084	1.6
286.04745	4.7
287.05487	6.7
288.05762	2.6
289.06201	5.8
303.04987	22.5
303.23013	4.0
304.66269	1.7
327.23102	2.8
329.21112	4.0
345.24448	2.1
355.22763	3.0
373.23749	7.7
383.25644	1.5
391.24210	2.6
403.24802	5.1
405.26129	1.8
411.25275	2.1
421.25800	4.2
429.26382	5.4
447.10883	2.4
447.27344	27.6
447.33255	2.2
465.11993	14.2
465.28525	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	465.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.8
55.05268	1.1
55.05516	18.6
57.03443	7.5
57.07079	10.7
58.00372	0.9
58.71958	0.8
67.05506	9.0
69.07071	24.3
71.08639	7.5
71.57764	1.1
73.02912	5.9
79.05499	4.9
81.07058	8.6
83.08149	1.4
83.08623	19.0
84.75705	0.8
85.02898	1.5
85.10175	3.0
93.07050	7.6
95.08610	9.2
97.06528	2.9
97.10178	13.5
98.98472	49.5
105.07018	1.3
107.08607	3.7
109.10167	4.0
110.03642	1.7
111.08053	1.7
111.11719	3.7
116.71928	0.9
121.10133	6.8
123.11707	1.9
125.13230	0.9
129.05484	3.5
135.11670	4.5
136.99977	3.0
137.13223	1.5
140.01140	1.0
146.90849	1.0
149.13214	1.2
155.01048	48.3
191.00107	2.4
211.03604	2.9
219.20955	1.5
229.04750	3.9
237.22125	9.2
239.23608	2.6
287.05591	1.6
289.06122	2.8
298.70459	0.9
303.04953	7.9
311.25815	100.0
312.26050	1.3
318.03119	0.9
447.25079	19.6
447.30588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.5
54.00272	2.6
55.01881	5.9
55.05264	4.1
55.05511	43.1
57.03425	7.8
57.07055	7.6
59.56012	2.3
65.03929	6.0
66.49957	2.4
67.05176	4.6
67.05504	59.5
69.03084	3.1
69.03434	28.8
69.07066	39.5
70.87795	5.6
71.01353	3.7
71.04971	5.6
71.08604	4.8
77.03905	2.7
79.05495	42.6
81.03418	43.8
81.07058	91.2
83.04973	15.7
83.08615	19.7
85.02917	25.8
85.06573	13.4
88.88227	2.8
91.05486	40.8
93.07044	100.0
95.04964	47.7
95.08609	86.1
96.45981	2.8
97.02887	13.9
97.06543	19.0
97.10177	27.4
98.97594	5.2
99.04451	6.6
99.08102	7.4
99.20213	2.6
105.07030	63.2
107.04967	9.1
107.08599	73.5
109.02887	14.9
109.06515	11.0
109.10159	57.3
111.04443	6.0
111.08073	8.9
111.11666	5.6
117.07019	10.4
119.04939	4.5
119.08584	60.6
121.06496	9.6
121.10148	67.7
123.04372	3.6
123.08084	13.8
123.11707	27.3
125.06020	3.7
125.09623	14.2
127.03925	13.8
128.06223	3.1
128.98372	3.0
129.06998	8.0
131.04921	5.4
131.08585	23.7
133.06448	5.0
133.10124	45.1
135.08054	14.6
135.11699	35.0
137.05954	10.4
137.09627	4.1
137.13229	11.0
139.03894	5.5
139.11198	4.0
141.07025	3.1
142.07686	2.9
143.08572	9.0
144.09398	4.0
145.04955	4.5
145.06419	3.2
145.10133	40.3
147.04411	19.5
147.07968	3.6
147.11685	45.9
149.05998	3.0
149.09625	13.9
149.13277	23.8
151.07562	4.9
151.11177	5.5
153.01762	3.6
153.12796	3.8
155.08566	4.4
156.09351	3.3
157.10133	15.4
158.10921	3.2
159.08037	6.1
159.11713	34.1
161.09637	8.0
161.13252	22.2
163.07533	3.7
163.11143	14.1
163.14813	10.0
165.09158	5.7
165.12741	7.8
167.10704	2.8
169.10101	4.5
171.11729	8.7
173.09657	4.5
173.13269	26.3
175.07666	4.0
175.11165	10.6
175.14796	12.2
177.09058	3.9
177.12724	9.9
177.16364	5.8
179.14246	2.9
183.11693	6.4
185.09610	3.9
185.13229	12.8
187.11209	6.2
187.14842	21.8
189.12730	7.2
189.16389	6.4
191.14359	7.3
193.12198	4.6
195.11711	3.4
197.13254	5.5
199.14832	4.3
201.12738	6.6
201.16396	11.3
203.17976	10.0
211.14905	4.9
213.16301	3.2
215.14417	4.3
215.17961	5.3
217.15961	4.8
219.13718	3.1
221.08269	3.0
221.15317	4.5
225.16408	4.9
227.17906	6.8
229.05083	3.1
229.15927	8.0
229.19466	15.7
231.21164	3.0
233.15393	4.2
237.02853	2.8
239.09082	3.9
243.17332	4.7
245.15479	5.3
245.18840	4.1
247.20549	4.9
257.22717	18.1
263.16449	3.8
267.15961	4.5
267.21118	7.3
275.23608	14.4
285.22128	30.9
287.05469	7.3
288.05908	6.5
289.06039	9.9
303.05035	51.0
303.23172	32.3
321.24255	4.9
366.88330	2.7
373.23575	6.1
383.25922	4.1
400.21503	2.6
411.25116	9.8
429.26227	17.0
431.23062	3.0
447.27307	35.5
465.28793	54.5
473.21109	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	465.1183
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
50.46783	0.3
55.05512	0.5
61.89077	0.4
67.05492	0.6
69.03418	0.6
70.57263	1.3
79.05503	0.6
81.03433	1.0
81.07067	0.8
85.74838	0.3
91.05472	1.8
93.07035	0.8
95.04964	0.6
95.08601	0.5
97.02885	0.4
97.10162	0.6
102.04050	0.4
102.04686	0.8
103.05445	0.5
105.07024	1.4
107.08595	0.6
109.02916	0.5
109.10138	0.5
110.03662	1.1
111.04422	0.5
118.04159	0.4
119.04964	1.1
123.04491	0.5
124.05257	0.4
130.04158	1.7
133.06447	0.6
135.04449	0.8
136.05223	1.4
137.05983	1.1
146.03645	2.7
147.04410	2.7
148.05190	3.6
151.07492	0.4
153.01808	4.1
159.11687	0.4
161.05966	3.1
162.06787	0.7
163.03918	1.0
164.36841	0.4
203.03404	3.0
213.05612	0.4
215.31914	0.3
229.04953	5.5
241.05009	1.1
242.05736	10.4
249.45325	0.4
253.04991	3.2
257.04456	43.7
258.05231	15.4
269.04514	2.0
270.05185	2.8
271.06039	1.6
283.05951	0.8
285.03949	5.5
286.04724	30.0
287.05502	13.7
287.08813	0.4
289.06030	0.4
297.03937	5.0
299.05600	1.6
303.04953	0.9
311.05377	0.4
327.04993	2.2
341.06702	1.2
359.09332	0.5
373.07056	0.6
375.08755	0.5
387.08786	0.6
389.06824	0.6
391.08255	0.5
403.08344	0.8
415.08304	1.0
432.08447	2.5
435.10721	3.9
447.10788	15.7
465.11835	100.0
466.11975	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1185
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.03945	0.6
55.01849	0.5
55.05516	3.8
55.79370	0.3
57.03419	0.6
57.07055	0.5
65.03909	0.5
67.01842	0.3
67.05505	3.7
69.03436	2.3
69.07074	3.1
70.80400	0.3
71.04969	0.5
71.52408	0.7
79.05496	2.3
81.03428	2.8
81.07060	5.5
81.86349	0.3
83.04958	1.0
83.08589	1.2
85.02872	1.2
85.06516	0.9
87.90726	0.3
91.05482	3.5
93.06577	0.3
93.07053	3.9
93.98618	0.3
94.12765	0.3
95.04969	2.8
95.08076	0.3
95.08612	4.5
97.02884	1.2
97.06548	1.7
97.10178	3.5
98.97537	0.4
99.04433	0.6
102.04676	0.5
103.05435	0.8
105.07035	3.9
107.04922	0.7
107.07983	0.4
107.08591	4.2
109.02898	1.4
109.06488	1.4
109.10174	2.3
110.03642	0.9
111.04419	0.9
111.08049	0.6
115.05450	0.4
117.06964	1.0
119.04897	0.7
119.08575	2.4
121.02877	0.4
121.06487	0.6
121.09473	0.2
121.10159	2.1
123.04446	1.5
123.08071	0.8
123.11665	1.2
125.09628	0.7
127.03905	0.8
129.06982	0.7
130.04094	0.6
131.04900	1.2
131.08556	1.2
133.06496	0.4
133.10127	2.0
135.04401	1.1
135.08041	0.8
135.11688	2.1
136.05170	1.2
137.05952	0.9
137.09621	0.6
137.13193	0.3
138.06740	1.0
139.03876	1.0
139.11169	0.6
141.09102	0.3
142.07686	0.4
143.08549	0.8
143.10680	0.5
145.10129	1.7
145.43083	0.3
147.04431	1.5
147.08034	0.4
147.11693	1.8
148.05190	0.7
149.09612	0.7
149.13245	0.9
151.03934	0.4
151.07503	0.7
151.11136	0.5
153.01859	3.2
153.12718	0.3
155.08490	0.4
157.10184	1.4
159.08099	0.4
159.11736	1.8
161.05949	0.8
161.09570	0.8
161.13266	0.8
163.03822	0.5
163.11169	1.2
165.12718	0.5
171.11674	0.5
171.13770	0.4
173.09572	0.3
173.13237	0.8
175.11180	0.7
175.14842	0.5
177.08879	0.4
177.12758	0.5
181.12209	0.8
183.11638	0.3
185.13329	0.5
189.12711	0.4
193.12241	0.5
203.03381	6.9
203.14310	0.7
213.05498	0.5
227.14297	0.5
229.04967	5.5
241.04907	0.9
242.05736	3.0
253.05031	0.6
257.04459	89.7
258.05130	3.5
269.04507	0.7
270.05179	0.8
271.05966	0.7
275.23758	0.6
285.03986	4.7
285.22101	0.6
286.04736	8.0
287.05478	9.3
288.05817	0.9
289.05945	1.6
297.03961	6.8
299.05475	0.6
303.05020	5.3
303.23300	1.6
321.24365	0.7
327.05106	0.5
349.23453	0.4
375.08633	0.9
391.08188	0.5
403.08185	1.7
411.25229	0.6
429.26425	0.8
432.08252	1.2
435.10764	5.0
447.10965	2.4
447.27225	2.2
465.11847	100.0
465.28622	6.6
466.12036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1371
Annotation	Keyakinol
Peak:m/z	Relative Intensity
55.05511	2.1
56.96547	0.5
57.07066	0.9
67.05499	1.5
69.03419	1.4
69.07061	1.2
69.46463	2.7
71.04982	0.7
79.05498	1.4
81.03415	1.5
81.07059	2.8
83.04993	0.5
85.02927	1.8
91.05489	1.4
93.07053	2.3
95.04967	0.7
95.08620	2.7
97.02879	0.6
97.10174	1.4
98.20725	0.5
98.97577	0.4
99.04433	0.5
105.07044	1.7
107.04953	0.7
107.08628	2.3
108.08967	0.5
109.02875	0.7
109.06533	0.6
109.10165	1.2
111.08064	0.5
113.32611	0.4
119.04946	0.7
119.08582	0.9
121.06485	0.7
121.10147	1.6
123.04434	0.6
123.08069	0.8
123.11732	0.5
125.09647	0.6
127.00002	0.4
127.03894	0.9
131.08578	0.6
133.10112	1.3
135.08049	0.6
135.11705	1.3
137.05940	0.7
145.06415	0.4
145.10158	1.1
147.04404	2.6
147.08121	0.4
147.11697	1.5
153.01804	0.5
153.12709	0.5
158.99733	0.4
159.11694	0.8
161.05992	0.5
161.13223	0.9
163.07466	0.3
163.11194	0.7
167.03278	0.4
171.11778	0.4
183.10194	0.4
185.04274	0.7
201.05266	1.4
216.07571	9.9
217.08385	9.4
227.05292	1.6
242.05716	0.8
257.04465	2.7
258.05240	1.0
271.04214	2.5
285.03879	0.6
285.16971	0.6
286.04684	2.2
287.05435	1.2
289.06046	0.5
303.05002	3.3
303.23074	0.5
369.15176	1.7
371.34079	0.4
379.13632	3.6
381.74625	0.4
389.07932	0.4
417.80389	0.4
421.14709	26.2
429.26047	0.5
447.10660	0.9
447.27234	0.7
465.13553	100.0
465.20865	23.9
466.13803	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.5
55.01873	4.9
55.05518	1.6
56.05024	1.3
56.96559	1.8
57.03443	4.9
61.02924	4.9
69.03082	1.2
69.03435	16.4
70.06590	2.3
70.33400	1.4
70.33766	1.5
71.04997	26.5
71.65430	0.7
73.02924	3.7
73.16312	0.6
78.62113	0.6
79.05496	0.8
81.03423	5.3
82.06590	1.0
83.01324	0.8
84.04552	0.7
84.36703	0.6
85.02910	28.2
87.04470	2.6
88.07619	0.7
91.03960	1.5
92.05045	0.7
94.06548	1.4
97.02904	11.7
97.06521	1.0
98.06063	49.9
98.97580	4.0
99.04461	26.2
100.89967	0.7
101.00864	2.1
107.04964	2.3
109.02889	3.3
110.01308	1.1
110.06049	2.9
110.97573	0.8
112.07612	1.5
115.03905	0.9
115.08688	1.9
116.07101	22.8
116.98625	1.2
119.01892	2.3
120.08175	0.9
124.07576	0.9
125.06022	1.5
126.05567	1.0
127.03918	8.2
128.98645	1.1
131.01942	1.1
131.04877	0.7
133.03484	1.8
134.06023	0.8
135.04367	1.8
138.05502	5.0
138.67137	0.7
140.07050	4.8
142.08643	3.0
143.00159	0.8
143.01884	3.9
145.03514	1.6
145.04964	4.7
146.04997	0.8
148.07578	2.6
152.07098	4.5
153.05583	0.8
154.08615	1.0
155.01910	2.6
157.03468	2.1
157.09741	2.1
158.06027	0.8
158.99680	2.5
161.02994	4.4
162.05527	0.9
162.09254	0.9
164.07109	1.4
166.08604	1.5
168.03606	1.1
169.03441	1.3
170.08130	2.1
170.99715	1.1
171.05121	1.0
173.02971	2.7
175.02899	0.8
175.04535	1.9
176.07082	12.8
177.00720	1.0
177.04146	0.9
178.04990	0.9
178.08635	2.8
180.10249	0.9
181.03621	0.8
182.03442	1.0
182.06134	0.8
183.05069	2.2
185.02950	2.1
186.11275	1.1
187.04533	1.0
188.09190	9.0
189.00751	1.0
190.08690	4.8
191.03937	1.4
192.05518	1.6
192.10277	1.5
194.08133	2.0
199.02850	0.8
199.04594	0.8
200.04451	1.7
200.07191	1.3
201.00856	0.9
203.04050	2.9
203.13959	1.8
204.06578	1.2
206.08247	1.7
208.09628	2.0
210.11383	1.2
212.09123	0.8
215.04132	1.0
218.08147	11.1
219.01848	2.3
220.09669	1.3
221.05148	2.5
225.12273	1.0
235.08585	1.1
235.10777	16.7
237.02774	1.5
238.10789	4.5
241.07469	0.9
245.05086	5.0
250.08078	1.5
250.10739	11.1
251.08827	0.8
257.05164	0.8
257.15076	1.7
258.06818	1.6
258.56805	1.0
259.06711	3.0
261.02884	1.2
263.06155	1.9
264.07599	1.3
267.13275	1.1
268.11884	0.9
272.06311	1.3
273.08270	3.6
275.06357	1.0
281.07123	3.7
281.57321	1.0
283.31680	0.8
285.14352	4.6
286.12894	1.6
291.09406	1.8
303.05035	2.0
303.15540	77.1
307.08713	1.1
319.08817	1.4
321.10251	1.1
337.10443	0.8
339.09219	0.9
339.67477	0.8
347.08813	0.9
362.09927	1.3
365.09586	1.0
425.11191	0.8
429.18881	1.3
447.19623	1.6
465.14078	11.9
465.20801	100.0
466.20972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1184
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
53.03933	2.3
55.01857	1.5
55.05512	9.7
57.03433	1.5
57.07082	1.2
65.03931	0.8
67.05510	8.1
68.99801	0.8
69.03427	7.6
69.07057	7.3
69.43716	1.2
69.44122	3.5
71.04970	2.2
73.02905	1.0
79.05486	6.0
80.66155	0.6
81.03417	7.8
81.07059	14.3
83.04984	2.2
83.08617	1.9
85.02904	4.4
85.06535	2.1
85.73315	0.6
87.04436	0.6
91.05482	5.6
93.06485	0.8
93.07047	11.1
94.07384	0.7
95.04980	7.8
95.08607	16.2
95.09180	1.3
97.02910	3.4
97.06533	3.0
97.10172	11.2
98.97530	0.7
99.04459	2.3
99.08083	0.9
103.05476	0.7
105.03423	0.7
105.07036	10.0
107.04979	2.1
107.08596	8.4
109.02877	5.5
109.06514	2.3
109.10162	9.3
111.04455	2.1
111.08083	2.1
115.05475	0.8
117.06997	1.1
119.04928	0.7
119.08573	7.9
121.06498	3.0
121.10120	7.5
123.04418	1.4
123.08056	3.0
123.11703	4.2
125.02338	0.7
125.06026	1.6
125.09634	3.2
127.03880	3.4
129.06992	1.8
131.04944	1.5
131.08559	4.0
133.06551	1.1
133.10120	5.3
135.08067	1.9
135.11714	4.1
137.05992	4.9
137.09618	1.4
139.07458	0.8
139.11180	1.9
141.05466	0.6
141.09052	1.1
143.08572	2.1
143.10631	2.1
145.06511	1.1
145.10112	5.2
147.04422	2.7
147.11674	4.9
149.09613	2.4
149.13284	2.4
151.07516	1.8
151.11182	1.1
153.01825	16.6
153.12747	1.3
155.08655	1.2
156.09355	0.7
157.10120	2.3
157.12241	1.3
159.08051	1.3
159.11705	4.1
160.05244	0.9
161.09627	2.3
161.13216	3.0
163.03986	0.9
163.11223	1.8
163.14859	0.8
165.09148	1.8
165.12759	2.0
169.10188	0.9
171.11662	1.0
173.06024	1.1
173.09631	1.1
173.13280	2.4
175.07486	0.8
175.11256	1.5
175.14769	0.8
177.05640	0.6
177.09084	0.7
177.12767	1.8
179.14296	1.3
181.06546	0.6
183.11684	0.7
186.10323	0.7
187.11281	1.1
187.14749	1.4
189.09036	0.7
189.12807	1.4
191.10548	0.8
199.14842	1.0
201.12794	0.8
203.03424	0.9
203.14265	0.7
205.12120	0.7
211.14777	1.0
213.12909	0.8
223.07373	0.8
227.14320	1.0
229.04927	0.8
231.13838	1.0
234.06796	1.4
235.07661	1.2
235.16930	0.7
237.05560	0.8
241.15909	1.1
251.07106	1.0
257.04553	1.1
258.05310	4.4
265.05038	0.8
267.06558	1.0
271.06067	1.6
275.23849	0.7
285.22150	1.2
286.04752	6.8
287.05618	2.6
288.05869	1.1
289.06012	3.1
295.06058	1.1
297.03888	1.0
299.05621	2.1
300.06342	1.3
301.03345	0.7
303.04987	14.1
303.08337	0.8
303.23282	3.5
311.05496	15.1
319.09570	0.9
323.05576	1.5
329.07922	1.2
330.08945	1.0
345.24136	0.9
347.09128	2.0
349.30185	0.8
357.07843	1.0
358.08383	2.4
359.09085	5.6
361.07141	4.1
363.08612	1.0
369.07660	1.2
375.08600	9.4
376.09357	4.9
383.25748	0.8
385.06949	1.5
386.07828	5.0
387.08658	7.5
389.06610	1.0
391.08182	1.1
393.24478	0.7
397.07184	1.3
403.08148	23.6
404.08960	3.3
405.26575	1.0
411.25095	0.9
414.07455	2.1
415.08109	10.2
416.08951	1.9
419.07565	16.1
420.03210	1.2
420.08417	10.4
429.26117	3.9
431.07578	7.0
432.08426	70.9
433.08679	1.4
435.10770	38.8
436.11063	0.7
447.10776	75.7
447.27332	8.9
448.10852	1.4
465.11847	100.0
465.20862	4.2
465.28464	14.7
466.12125	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
67.01859	0.4
68.99809	0.2
69.38971	0.7
69.39397	0.6
84.09381	0.1
85.02907	0.3
105.03410	0.2
107.04945	0.2
109.02883	0.2
111.88167	0.1
127.03877	0.2
151.03940	1.2
153.01833	4.6
171.02844	0.2
177.01970	0.4
186.17140	0.2
195.02925	0.2
203.03406	0.6
229.04958	0.6
257.04401	1.3
285.04004	0.7
303.05005	100.0
304.05228	0.8
409.75998	0.2
447.12555	0.2
465.08810	0.2
465.13611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.18233	1.0
51.02384	0.9
53.03935	1.2
55.01876	3.0
56.96585	1.0
57.03445	1.2
61.02929	1.4
61.11002	1.1
67.05515	1.1
68.99786	2.5
69.03435	1.5
69.97617	2.1
69.98001	2.8
71.04984	1.0
76.70999	1.0
77.03941	1.4
77.04362	1.0
80.59924	1.1
81.03396	1.6
83.05000	1.2
85.02904	6.0
91.05460	1.1
95.04979	2.1
97.02917	2.0
98.21475	1.7
98.97585	1.9
105.03400	3.5
107.04953	3.5
109.02892	1.2
111.04471	1.9
113.06033	1.0
120.19601	0.8
121.02866	2.2
121.06441	1.6
123.04433	100.0
124.05201	1.9
127.03920	23.9
131.04893	1.3
134.38861	0.9
135.04431	15.5
137.02391	2.2
137.06058	1.0
139.03909	10.4
141.06975	1.2
145.04994	1.3
146.03638	1.1
147.04427	3.0
149.02406	2.5
149.06006	1.5
151.03905	3.1
159.04424	1.2
163.03914	18.1
165.01880	3.0
167.03421	3.6
173.06017	1.8
177.01901	6.8
177.05487	1.3
179.03418	15.9
187.03899	2.0
189.01868	1.1
191.03415	7.6
193.04982	1.6
195.02876	4.7
197.06001	2.2
201.05557	1.2
203.03339	8.1
205.01294	2.2
205.04973	3.9
207.02840	2.2
213.05661	1.0
215.03403	2.2
217.05011	1.9
219.02975	9.8
221.04462	2.0
223.02373	9.4
227.03612	1.0
229.01216	0.9
229.04982	3.4
230.19310	0.9
231.02953	2.9
233.04520	4.5
237.05453	1.5
243.02777	1.7
245.04449	2.7
251.05457	1.3
253.05037	2.2
255.06506	3.4
255.11063	1.2
259.02393	3.3
261.03918	5.1
265.14386	1.4
271.06021	100.0
272.06808	16.6
273.07581	3.7
277.03476	1.1
279.05005	14.4
283.06097	1.4
287.05365	2.2
289.06897	4.1
295.04587	4.1
297.06131	6.4
303.05042	8.3
303.13370	2.3
303.21765	1.2
307.04758	1.3
311.05591	2.9
319.04437	9.4
321.10172	2.3
322.10501	1.0
323.05417	1.2
325.05490	17.0
337.05609	11.9
339.11130	1.7
367.08133	1.1
383.07938	1.2
393.06079	1.0
401.08621	1.7
411.07269	2.9
429.08173	9.3
447.09207	4.1
465.10010	2.0
465.16040	1.5
483.15549	2.0
484.15350	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
53.03949	0.2
57.03437	0.1
61.02909	0.5
67.01859	0.4
68.99786	0.3
69.03437	0.7
70.87896	0.3
70.88226	0.2
71.04987	0.2
71.33244	0.1
78.26591	0.1
79.05492	0.3
81.03416	0.4
81.07037	0.2
85.02907	1.7
86.92824	0.1
91.03943	0.2
95.04952	0.2
97.02906	0.7
99.04486	0.2
107.04946	0.6
109.02880	0.3
111.00829	0.1
113.40089	0.1
127.03926	0.5
130.17981	0.1
133.02831	0.2
137.02370	0.4
145.04990	0.3
151.03902	1.5
153.01834	5.3
155.02328	0.2
161.05995	0.2
164.83412	0.1
165.01851	0.2
177.01816	0.4
195.02856	0.2
201.05515	0.4
203.03427	0.6
229.04929	1.2
247.06004	0.2
257.04391	1.8
274.04700	0.2
285.03879	0.9
285.16965	0.2
287.05518	0.9
288.05872	0.4
289.06094	0.8
302.04214	0.4
303.04993	100.0
304.05344	1.3
346.45425	0.1
465.10236	23.4
466.10825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.03422	0.6
61.02932	6.9
68.99789	0.6
69.03448	1.1
69.50387	1.5
73.00769	0.2
73.02922	1.7
79.36272	0.2
81.03413	0.5
85.02440	0.4
85.02913	5.8
91.03961	3.3
93.03343	0.2
97.02906	3.4
99.04449	0.3
107.04974	0.3
109.02879	0.6
111.00813	1.0
115.03940	0.3
121.02898	0.6
121.21238	0.2
123.04476	0.2
127.03922	1.2
135.04366	0.3
137.02344	3.0
145.04930	1.0
149.02361	0.4
153.01822	4.1
163.03928	0.6
165.01871	2.0
166.02594	0.3
173.05978	0.5
183.02904	0.7
183.04411	0.5
187.03909	0.2
195.03006	0.3
201.05484	1.9
207.02664	0.3
210.47697	0.2
219.03012	0.2
219.06567	0.2
229.04973	4.4
247.06042	0.8
257.04431	3.0
272.04099	0.3
274.04718	0.8
285.03967	1.3
287.05621	1.0
288.05765	0.7
289.06110	1.3
303.05011	100.0
304.05374	1.4
352.17477	0.2
369.06067	0.2
465.13596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
51.79944	0.3
53.03889	0.4
55.01807	0.3
56.96503	0.6
57.03391	0.3
57.07028	0.3
59.57034	0.2
61.02876	0.4
65.03883	0.3
67.01813	0.3
67.05439	0.7
68.99728	0.3
69.03342	1.9
69.50025	0.7
69.50426	1.1
70.06523	0.6
71.04921	0.6
73.02832	1.7
79.05406	0.9
81.03335	0.9
81.06970	0.9
85.02908	3.7
85.06490	0.6
86.09650	0.4
91.05399	0.8
93.06953	1.0
95.04906	0.6
95.08517	1.0
97.02885	2.0
98.21532	0.5
98.97570	1.3
99.04372	0.4
105.03330	0.4
105.06937	0.7
107.04867	0.4
107.08511	0.9
109.02801	1.0
109.06422	0.8
109.10133	0.6
111.04396	0.3
111.07966	0.3
116.98569	0.6
119.08500	0.7
120.08034	0.4
121.02801	0.4
121.06444	0.4
121.10084	0.6
123.04336	0.9
127.03834	0.9
131.08528	0.3
133.02850	2.6
133.10039	0.3
135.08012	0.4
135.11633	0.4
137.02242	0.9
137.03223	0.3
137.05972	1.6
137.09612	0.3
144.04385	0.8
145.04822	0.8
147.04391	1.8
147.11601	0.5
151.03909	4.2
153.01831	24.8
153.12659	0.4
161.05910	0.5
162.05513	3.5
163.03824	0.5
163.05836	2.5
171.02856	0.4
175.07480	0.4
177.05391	0.2
183.02965	0.3
190.04979	2.0
191.05226	1.0
201.05403	0.4
203.01772	0.3
215.06976	1.2
229.04910	1.2
257.04367	0.9
265.11545	0.3
273.10703	0.3
285.04010	0.3
287.05536	3.0
288.05942	0.7
289.06094	1.8
289.11111	1.1
289.42255	0.3
303.04993	100.0
304.05356	1.4
316.08133	0.4
317.08487	0.8
318.14182	0.3
409.15604	0.8
447.08966	0.4
465.13934	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	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	2.0
50.88346	1.6
51.02382	1.6
53.03946	6.1
55.01859	4.6
55.05515	8.3
56.96564	2.7
57.03436	17.6
57.07064	1.5
59.04990	3.7
60.04515	2.7
61.02921	6.3
63.18317	1.5
67.05500	5.9
69.03435	47.2
69.07063	10.3
69.17227	1.5
71.01366	2.0
71.04982	5.9
71.13236	3.8
73.02921	31.8
79.05492	27.8
81.03000	1.5
81.03419	11.9
81.07045	13.8
82.82301	1.7
83.04983	5.7
83.08636	4.0
84.96056	2.5
85.02912	60.2
85.06552	3.4
87.04479	31.5
91.05486	24.4
93.07052	100.0
94.07384	2.3
95.04977	6.1
95.08602	9.1
96.04514	1.7
97.02900	50.5
97.03522	3.2
97.06547	2.1
97.10148	4.6
98.97581	3.1
99.04472	4.1
103.03932	1.9
105.04551	3.0
105.07034	14.6
107.04979	1.8
107.08602	75.3
109.02872	12.2
109.06506	5.2
109.10153	6.7
111.04451	2.1
111.08106	3.1
115.03931	51.4
119.04963	1.5
119.08589	10.9
121.06552	2.2
121.10146	14.0
123.04393	2.2
123.08094	2.1
125.06046	1.8
127.03942	16.1
131.08534	3.2
133.04977	50.9
133.06538	4.6
133.10129	6.4
135.08041	3.6
135.11700	71.8
137.05963	7.0
137.09605	2.7
143.08539	2.7
145.04987	16.5
145.10245	1.9
147.04428	6.1
147.08070	2.6
147.11696	5.3
149.09598	3.3
149.13281	2.9
150.07631	9.8
151.07541	2.4
151.11148	3.1
153.01817	2.2
153.12729	2.6
159.08041	2.5
159.11786	2.6
161.09610	1.7
163.06030	5.8
165.09132	2.2
173.09752	1.7
173.13374	1.9
177.05513	2.2
179.10678	1.8
181.08606	2.4
193.08684	7.7
197.11740	3.1
200.87724	1.6
203.17902	2.6
209.08038	1.7
221.19160	2.5
223.06117	3.2
226.26485	1.8
231.14015	1.8
241.07080	7.6
249.18468	1.8
259.08185	7.8
260.08917	1.8
267.09006	1.8
267.15936	4.1
267.19681	4.7
268.09311	1.9
277.09274	2.4
285.10016	3.3
285.20563	7.5
287.05411	10.5
288.05881	25.7
295.10132	2.1
302.07513	1.9
303.05148	3.5
423.76212	1.9
440.44492	1.8
464.14575	2.6
464.20901	2.3
464.27124	7.1
465.21457	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	0.3
55.01865	0.5
57.03439	0.7
58.75840	0.2
59.91915	0.2
61.02938	1.2
66.82671	0.3
68.99786	0.6
69.03427	2.3
70.70893	0.5
70.71214	0.4
71.04996	0.4
73.02918	0.3
79.68195	0.3
81.03426	1.4
85.02911	9.1
91.03990	0.7
91.56966	0.3
91.72446	0.2
95.62524	0.2
97.02908	3.1
99.04447	0.6
104.13182	0.3
109.02880	1.1
111.00814	0.8
121.02872	0.5
127.03927	2.1
127.09859	0.2
132.69025	0.3
137.02356	2.2
145.04942	1.7
149.02344	0.3
153.01826	2.8
163.03926	0.4
165.01845	1.6
173.06041	0.3
183.02837	0.8
187.03946	0.4
192.73860	0.3
201.05486	1.1
207.02942	0.3
219.06578	0.3
229.04984	2.8
243.41092	0.3
247.06133	0.7
257.04474	1.9
274.04733	0.5
275.05475	0.4
285.04010	0.9
303.05002	100.0
304.05334	1.1
321.89001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05500	0.5
57.03437	0.6
57.07060	0.4
63.60253	0.4
66.58254	0.4
67.05515	0.4
69.03433	2.0
69.07052	0.7
69.56516	0.3
71.04984	0.4
71.54578	0.4
71.54954	0.6
81.03422	2.6
82.80648	0.4
83.76133	0.4
85.02910	7.2
85.06522	1.0
86.50493	0.4
89.03905	0.5
93.07054	1.1
94.03781	0.4
95.04961	0.9
97.02903	6.3
99.04436	0.7
104.30547	0.4
105.06946	0.5
109.02883	1.9
113.06006	1.5
127.03919	3.7
131.07056	0.6
144.04448	15.9
147.04420	0.6
153.01825	0.5
162.05511	100.0
163.05878	0.8
164.05933	0.5
185.07124	0.5
190.05000	61.8
191.05347	0.5
193.12303	0.4
239.10326	0.4
249.14993	0.4
285.16968	0.7
286.07166	0.6
287.05527	2.3
288.05801	4.8
298.07031	0.7
303.04962	2.0
316.08163	22.1
334.09250	6.3
442.85507	0.4
464.15543	38.4
465.14798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01857	4.1
55.05511	9.2
56.96554	2.2
57.03439	16.8
57.07066	1.9
59.04995	4.8
60.04536	2.7
61.02911	5.9
65.03937	2.5
67.05515	9.3
69.03436	54.4
69.07068	7.9
71.01363	3.3
71.05000	4.1
71.54838	2.9
73.02927	22.5
79.05499	26.1
81.03426	12.5
81.07066	15.8
82.07407	2.0
83.04965	5.1
83.08609	2.7
85.02911	60.0
87.04474	32.4
91.03933	3.8
91.05486	28.4
93.07050	100.0
94.07404	2.4
95.04971	10.2
95.08613	12.1
97.02897	48.6
97.06532	3.3
97.10184	2.3
98.97591	4.5
99.04445	5.4
103.03924	1.6
103.05445	1.7
105.04507	1.8
105.07043	15.7
107.04956	3.2
107.08601	79.6
109.02882	7.9
109.06528	5.3
109.10153	7.4
111.08128	2.4
115.03940	58.3
117.07040	2.4
119.04919	2.0
119.08573	8.5
121.06539	3.9
121.10155	17.3
122.10440	1.9
123.04440	1.6
123.08092	1.7
123.11675	3.3
125.02330	2.2
127.03924	14.3
131.04959	2.5
131.08586	2.3
133.04979	51.3
133.06454	2.2
133.10107	10.6
134.10442	1.7
135.08046	2.8
135.11700	72.5
137.05945	7.9
137.09573	1.9
142.10475	1.6
143.08574	1.9
145.04964	13.2
145.10127	2.2
146.06000	4.0
147.04431	6.3
147.11700	5.5
149.09547	3.2
150.07642	8.7
153.01816	2.9
153.12755	5.1
159.11691	3.8
161.13312	1.9
163.03888	2.0
163.06084	3.9
167.10764	2.1
169.04974	2.9
171.11549	1.7
173.13251	2.2
174.05479	4.0
175.11194	2.2
175.68869	1.8
177.05510	2.9
177.12721	4.4
179.10579	2.0
181.08688	2.6
193.08607	6.1
197.11787	2.9
201.12749	2.0
203.17931	2.1
205.07141	1.9
209.08064	1.7
221.18983	4.0
223.06129	3.4
231.13623	1.9
233.01456	2.0
239.20132	2.0
241.07175	4.5
249.18423	2.0
252.16286	1.8
259.08441	5.8
267.15982	4.0
267.19437	3.8
277.09406	1.6
285.10242	1.9
285.20715	3.6
287.05524	10.9
288.05856	32.8
295.10165	2.1
297.16907	2.1
302.07574	3.6
303.05081	4.8
324.61664	2.1
385.61551	1.7
416.66901	2.0
429.67447	2.3
446.26099	2.1
464.13934	2.5
464.20343	3.4
464.27261	6.0
465.21698	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.00929	2.4
55.05519	15.7
55.94466	2.4
57.07080	37.6
67.05505	11.2
67.06505	2.2
69.07069	25.3
71.08634	27.0
71.39011	3.5
79.05496	7.6
81.07056	19.1
83.08626	16.9
85.10182	13.7
91.05476	5.5
93.07074	3.0
95.08586	18.7
97.02837	2.2
97.06539	3.3
97.10177	10.1
99.04459	4.0
99.11707	2.8
105.07022	6.7
107.08595	8.0
109.06494	10.8
109.10143	9.6
111.11731	10.3
119.08604	5.2
121.10101	4.8
123.08039	11.5
123.11721	4.8
125.06004	13.7
125.09634	3.1
127.07554	41.7
131.08545	3.3
133.10118	4.4
135.08078	4.2
137.06017	6.6
139.07547	100.0
147.11687	3.5
149.06001	4.4
151.07561	7.4
153.09106	2.5
161.13271	3.3
165.09109	4.2
167.07059	5.6
177.09067	14.3
209.84572	2.5
218.62843	2.3
221.15240	2.2
275.20245	2.2
319.29935	9.6
347.33105	10.5
361.33878	2.8
370.15564	2.4
373.31250	3.2
399.36398	3.1
403.35809	7.4
417.37161	19.8
427.35632	3.6
445.30627	3.8
445.36813	72.3
463.37836	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.01639	1.6
55.05516	14.8
57.07079	38.2
57.70063	1.4
61.88279	1.4
62.68000	1.3
67.05496	6.9
68.52481	1.6
69.06724	2.3
69.07072	26.4
69.79974	1.5
71.08295	2.3
71.08638	24.9
71.18485	3.4
79.05475	4.4
81.07059	19.6
83.08624	15.9
85.10187	15.4
87.52136	1.7
91.05456	4.9
93.07043	6.8
95.08606	12.7
97.06496	3.4
97.10182	8.4
99.04440	6.2
105.07038	5.8
107.05018	1.5
107.08586	6.3
109.06506	14.7
109.10145	8.1
111.08083	2.1
111.11716	5.6
119.08599	5.6
121.06517	3.3
121.10155	4.6
123.08080	12.2
123.11679	4.0
125.05987	16.0
125.09692	1.9
125.13228	1.8
127.07562	41.6
133.10129	3.7
135.08087	2.5
135.11671	2.3
137.06000	3.5
137.09682	3.5
139.07547	100.0
145.10136	2.1
147.11708	3.0
149.05995	3.4
149.09615	3.0
149.13237	1.9
151.07518	8.6
161.13206	2.4
163.11150	2.0
165.09111	4.0
165.12788	1.5
167.07063	5.5
169.08621	1.7
172.52745	1.6
177.09158	13.5
179.10631	3.1
203.14294	2.1
207.13762	1.9
221.15488	1.4
247.16959	1.5
249.14914	1.8
275.20135	1.6
287.05423	3.5
292.73477	1.5
301.28934	4.2
319.29898	11.1
333.29041	1.5
347.33160	12.4
373.31085	3.6
399.36172	3.2
403.35828	2.1
417.37289	14.0
421.48523	2.0
427.35693	3.7
445.36813	51.9
463.37836	55.0
470.51617	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.82693	3.1
55.05520	29.2
57.07078	29.9
67.05502	22.1
69.07072	67.8
69.82849	15.7
71.08630	31.3
79.05516	18.6
81.07063	54.7
83.04961	3.3
83.08625	31.2
85.10190	15.3
91.05485	21.4
93.07047	40.0
95.04956	3.2
95.08062	5.6
95.08618	66.6
95.09229	2.5
95.51968	3.1
97.10161	22.2
98.20782	5.9
105.07046	49.6
107.08606	58.9
109.06535	6.5
109.10150	35.2
111.11712	14.2
117.06997	9.6
119.08585	40.3
121.10149	41.0
123.11709	17.2
125.05956	3.0
129.05432	3.1
129.07025	3.8
131.08580	30.9
133.10136	36.0
135.11743	22.1
137.13248	5.6
143.07051	6.4
143.08563	10.2
145.10133	37.9
147.11694	30.7
149.13280	19.2
155.07040	14.3
155.08342	3.0
157.10112	11.9
159.11719	31.4
161.09595	4.2
161.13266	17.4
163.14836	15.4
165.09135	9.9
171.11708	10.3
173.13304	16.7
175.11163	4.1
175.14766	8.2
177.16479	4.1
179.10690	8.6
180.90131	3.2
185.13289	12.9
187.14835	14.3
189.16400	12.1
191.10712	16.0
193.12257	6.4
199.14850	9.6
201.16463	6.0
203.17937	6.3
205.12222	4.3
207.21086	5.0
209.11763	3.4
210.64268	3.0
213.16423	7.6
219.13882	7.3
221.22708	4.3
227.14243	3.6
227.18002	6.0
231.13815	4.3
231.21031	3.5
233.15353	6.3
233.22693	5.6
235.24086	4.6
245.15375	6.4
247.24338	5.1
249.14885	3.5
249.25882	3.4
261.18512	3.3
261.25714	11.1
263.16461	4.6
273.18481	7.4
287.05496	13.9
287.20010	9.9
291.19464	4.7
301.28690	4.8
305.21054	4.4
315.23163	4.9
341.31949	12.2
343.33612	41.2
347.33093	4.1
367.33698	9.9
385.34573	11.9
427.35776	62.1
445.36844	100.0
446.37286	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	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03880	2.8
53.84192	0.6
55.01807	2.5
55.05450	11.5
56.96511	1.1
57.03377	4.9
57.07022	1.4
57.07279	0.8
61.02872	1.4
65.03870	2.8
67.05437	49.5
69.03353	1.0
69.06999	18.0
69.07416	1.4
71.01306	1.1
71.04922	2.8
71.69020	0.6
73.02882	1.2
79.05497	32.5
79.05906	1.9
81.03349	2.5
81.07058	63.8
81.07513	2.9
81.07726	2.1
83.04983	5.7
83.08621	11.1
85.02839	1.2
85.06459	3.3
91.03976	0.8
91.05475	17.7
93.07046	49.0
93.07616	1.6
95.04979	6.0
95.08607	14.3
97.02831	0.9
97.06532	9.0
97.10120	1.2
98.21493	1.8
99.04414	0.8
99.08020	3.0
105.04474	1.0
105.07028	7.6
107.04909	1.3
107.08595	24.1
109.06458	2.8
109.10083	3.0
111.08082	6.2
113.05933	1.1
113.09550	0.9
115.05394	1.0
117.07024	6.2
117.43412	0.6
119.08581	3.2
121.06463	0.8
121.10144	14.3
123.08045	0.8
123.11642	1.3
131.08577	8.0
133.10117	7.0
135.04323	1.9
135.07964	2.2
135.11682	8.8
139.11095	1.8
145.10054	1.7
147.11655	1.5
149.09547	1.2
149.13260	31.8
151.11139	1.4
153.01823	4.4
157.10097	0.8
159.10498	0.8
159.11693	11.8
163.10997	0.7
167.14252	1.1
177.12755	7.8
195.13795	12.6
213.14812	2.6
219.13681	0.8
227.12766	1.5
251.16441	1.1
269.12433	0.7
269.17416	1.6
276.57227	0.7
287.05505	100.0
288.05603	1.2
299.57767	0.7
301.07077	1.6
334.13205	0.7
351.25192	1.2
463.09006	4.0
463.30655	70.1
464.31091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03912	6.9
55.05519	54.3
56.65440	7.3
57.07080	70.7
60.82553	7.9
67.05501	26.7
69.07069	100.0
69.24654	8.9
69.25056	57.5
71.08633	48.2
78.64432	7.7
79.05514	16.1
81.07060	56.2
83.08618	77.5
83.84788	6.6
85.10173	22.7
91.05481	22.5
93.07056	44.4
95.08607	65.1
97.10175	51.1
98.21613	8.3
100.88131	6.7
105.07043	40.8
107.08602	65.0
109.06514	23.4
109.10159	26.3
111.08083	17.3
111.11722	29.7
119.08582	42.1
121.06493	8.7
121.10139	28.9
123.08054	22.3
123.11662	8.0
125.05929	7.9
125.13217	13.6
129.07018	7.9
131.08591	12.4
133.09233	7.3
133.10120	33.9
135.08043	33.9
135.11742	18.5
139.07590	7.3
145.10115	14.4
147.08051	12.2
147.11678	19.1
149.09692	13.4
149.13246	12.3
151.07600	13.7
157.10118	12.9
159.11667	13.4
161.09573	11.3
161.13274	35.2
163.14911	7.6
165.09090	11.6
167.07024	14.6
171.11742	15.4
173.13298	11.9
175.11189	15.7
175.14711	8.0
177.09137	17.1
181.08591	16.9
187.14818	7.9
189.12726	10.7
193.08636	10.6
203.14331	12.9
223.03252	7.5
235.13284	9.0
249.14847	9.0
263.16367	9.0
277.17944	7.5
287.05603	55.8
305.21140	16.8
307.30002	10.9
319.22525	11.1
320.77020	6.7
333.23843	6.7
357.35080	42.0
361.27213	10.1
375.28720	7.5
375.36139	18.5
399.36063	34.0
417.37250	30.5
427.35532	47.3
431.91968	8.1
445.36615	95.5
463.37335	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	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03846	1.8
55.01794	0.9
55.05408	4.3
55.05704	1.2
55.34779	0.5
57.03332	1.9
57.07003	0.7
65.03857	0.9
67.05391	20.4
67.05795	4.0
67.06001	0.8
69.06954	7.2
69.07362	1.3
69.16145	0.5
70.93826	0.5
70.94157	0.6
71.04869	2.1
78.76765	0.5
79.05373	14.0
79.05885	2.0
81.03301	3.3
81.06933	26.8
81.07463	3.5
83.04859	2.7
83.08499	5.5
83.09044	1.2
85.06450	1.4
88.76696	0.5
91.05354	11.1
91.05956	0.9
93.06917	20.7
93.07555	1.9
95.04854	2.8
95.08478	8.1
97.02823	0.5
97.06404	3.4
97.10073	1.0
99.07955	0.8
105.04434	0.7
105.06902	5.3
107.04843	1.5
107.08463	11.7
107.09235	0.6
109.02857	0.5
109.06387	1.4
109.10162	3.1
111.07950	2.1
111.08634	0.7
117.06882	4.9
119.08571	3.3
121.06416	1.2
121.10134	7.4
123.11619	1.0
125.08453	0.5
125.09525	0.9
129.06929	1.2
131.08557	4.6
133.10132	7.0
135.04297	1.5
135.07947	0.8
135.11674	4.5
139.11000	0.6
143.08372	0.6
143.39548	0.5
145.09964	1.3
147.11575	1.1
149.05907	0.8
149.09503	0.7
149.13255	11.1
151.03749	2.0
151.04842	0.6
151.11055	1.7
153.01830	4.2
153.08864	0.6
155.08369	0.6
157.10014	0.8
159.11684	5.9
161.05893	1.7
161.13130	0.6
163.11050	0.6
167.14214	0.7
171.02824	0.7
171.11591	0.6
175.10963	0.6
177.12639	1.9
193.12228	1.0
195.13817	6.8
203.07008	0.7
253.14333	1.6
286.04691	1.0
287.05502	100.0
288.05814	1.8
301.07150	1.9
353.24963	1.1
371.25787	0.6
389.27023	0.7
417.67227	0.5
445.29813	1.8
463.08817	3.6
463.30838	31.5
472.45276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	2.3
53.84208	0.7
55.01821	1.6
55.05449	10.3
56.96496	2.5
56.96758	1.2
57.03373	4.1
57.07035	1.1
59.04947	0.8
61.02855	2.4
61.03138	0.7
65.03869	2.0
67.05437	34.7
67.05830	2.5
69.03352	2.2
69.06999	10.7
69.51582	0.8
70.46293	0.7
71.04935	2.0
71.34419	0.7
71.54033	0.7
73.02856	1.9
79.05495	27.2
79.05909	1.5
81.03355	2.1
81.07057	42.2
81.07506	1.7
83.04977	3.6
83.08627	7.4
85.02835	3.1
85.06474	2.2
88.91768	0.7
91.03899	1.9
91.05482	25.2
93.07047	35.5
95.04990	4.7
95.08610	18.9
97.02817	2.8
97.06539	4.7
97.07034	1.0
97.10134	1.2
98.97540	1.6
99.04433	0.9
99.08044	1.8
105.04462	1.5
105.07035	19.0
107.04873	2.8
107.08604	18.7
109.02770	0.8
109.06440	2.5
109.10165	6.3
111.08087	3.5
115.05387	1.0
117.07023	11.2
119.08581	10.3
121.06425	2.8
121.10136	11.6
121.45278	0.7
123.08023	1.2
123.11644	2.9
125.09526	1.2
127.03883	1.7
128.06165	1.5
129.07010	6.3
131.08583	16.8
133.10133	10.9
135.04343	1.8
135.08000	1.9
135.11702	5.3
139.11105	1.3
141.06931	2.1
141.67142	0.7
143.08574	5.9
145.06482	1.2
145.10132	6.7
147.08035	1.3
147.11736	3.6
149.09563	2.2
149.12242	0.9
149.13264	11.7
151.07452	0.9
151.11142	1.1
153.01837	5.1
155.08505	3.6
157.10081	3.5
158.99603	1.1
159.07903	1.1
159.11694	6.8
161.09503	1.0
161.13188	1.3
163.11098	0.9
167.08492	1.8
169.10074	3.1
171.11656	3.3
173.13239	1.7
177.12646	2.5
177.14072	0.8
181.10030	1.5
183.11604	2.2
185.13219	3.0
187.14775	1.7
195.13809	6.8
197.13200	1.3
199.14801	0.9
205.12100	0.8
209.13251	1.3
211.14792	1.1
213.07939	1.9
213.14784	1.0
217.15813	0.9
219.13710	0.9
225.16409	1.5
231.09009	1.5
245.19034	1.0
247.16901	1.6
251.09384	1.1
261.24966	0.7
269.10620	6.7
273.18668	0.9
287.05511	100.0
287.11804	3.3
288.05719	1.5
301.06998	1.5
316.11746	6.4
316.61908	1.4
325.25247	1.7
333.17221	1.0
335.23911	2.5
343.26413	2.2
353.24664	9.2
371.25821	10.2
381.19345	1.0
389.26883	10.7
427.28391	1.0
445.29440	28.5
454.22415	3.2
463.08847	2.4
463.30688	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.1
55.01802	1.8
55.02041	0.8
55.05434	7.5
55.05723	1.5
56.96505	1.0
57.03355	2.9
57.07018	0.7
61.02861	1.3
65.03881	1.2
67.05417	20.4
67.05816	2.4
69.03373	1.2
69.06980	8.6
71.04903	1.9
71.15324	0.6
71.56818	0.7
79.05399	16.9
79.05901	1.7
81.03303	1.8
81.03732	0.6
81.06963	22.3
81.07475	1.7
81.07747	0.9
83.04877	2.4
83.05337	0.8
83.08530	3.1
85.02840	1.3
85.06489	1.3
88.51107	0.6
91.03873	1.1
91.05383	22.6
91.98862	0.6
93.07049	18.9
93.07571	1.3
95.04868	3.7
95.08506	12.8
97.02834	1.1
97.06435	2.0
97.10086	1.3
103.05382	1.6
105.07034	22.0
107.04871	2.5
107.08605	8.9
107.22796	0.6
109.02863	0.6
109.06414	2.7
109.10159	5.6
111.08001	1.5
115.05359	1.5
116.06142	0.7
117.07019	11.9
119.08575	13.9
121.06390	2.5
121.10139	5.9
123.07957	1.1
123.11607	1.6
128.06117	1.9
129.07034	6.5
130.07768	1.1
131.08572	16.7
133.06395	1.3
133.10133	9.2
135.04326	1.3
135.07982	2.0
135.11702	3.0
137.09573	0.9
141.07010	3.1
141.07889	0.6
142.07713	1.0
143.08577	8.5
145.02786	0.9
145.04898	0.9
145.06432	1.4
145.10146	9.8
147.07965	2.6
147.11566	2.4
149.09535	2.0
149.13191	2.6
153.01833	4.3
154.07680	0.9
155.08546	4.2
157.06419	1.0
157.10129	5.0
159.07991	1.0
159.11668	6.2
161.09563	1.1
161.13133	2.2
163.11105	1.0
166.17024	0.6
167.08513	1.0
169.10048	2.9
171.11690	3.0
173.09518	0.8
173.11795	0.7
173.13277	3.2
177.05408	2.4
177.12634	1.7
179.03235	0.6
181.10098	1.7
183.11615	2.3
185.13251	3.0
187.14738	1.5
189.12617	0.8
195.06488	0.9
195.11719	1.4
195.13754	1.7
197.13226	2.0
199.10977	0.7
199.14775	2.1
201.12654	1.5
201.16385	1.0
211.14816	1.6
213.16444	0.7
215.14290	0.8
217.15813	0.7
219.13528	0.9
223.14708	0.8
225.16313	1.2
233.15250	1.5
237.16364	0.8
241.15982	0.8
247.16928	1.8
255.17398	0.7
257.18961	0.8
259.17035	1.5
261.18628	1.0
269.10553	1.3
273.18472	1.4
287.05508	100.0
288.05804	2.5
301.07050	1.8
316.11823	1.5
325.25323	1.1
335.23846	2.8
343.26224	3.4
353.24780	12.2
371.25824	14.7
389.26862	15.8
389.31677	0.9
427.28793	1.5
445.29520	31.9
463.08997	4.6
463.30722	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2691
Annotation	Pierisformoside C
Peak:m/z	Relative Intensity
50.75975	1.2
51.02391	1.3
53.03944	5.2
55.01871	2.0
55.05514	12.3
56.96545	1.4
57.03443	3.3
57.07058	1.4
57.75795	1.4
67.05507	18.5
69.03433	12.5
69.07074	9.8
71.04992	3.2
71.30299	1.8
75.04491	3.1
79.05496	19.5
81.03420	19.2
81.07056	35.0
83.04977	2.9
83.08607	3.7
85.02910	10.4
85.06533	2.1
91.05477	19.5
93.07045	66.2
95.04973	15.2
95.08606	27.5
97.02868	6.9
97.06534	5.2
97.10179	9.6
99.04449	2.4
103.05465	1.6
105.03393	9.8
105.04498	1.5
105.07038	33.5
107.04955	8.0
107.08595	33.5
109.02882	12.2
109.06523	5.7
109.10147	19.1
111.04472	3.3
111.08080	3.9
113.05991	1.8
114.36846	1.3
115.03982	1.7
115.05444	1.5
117.07022	6.5
119.04967	4.4
119.06105	1.2
119.08587	28.6
121.06503	4.9
121.10147	41.0
123.08054	4.6
123.11711	5.1
125.09692	3.4
127.03913	4.0
128.06160	1.7
129.07045	4.6
130.07715	1.5
131.04935	3.3
131.08575	13.9
133.06451	1.3
133.10143	22.8
135.04433	2.5
135.08064	6.0
135.11700	14.8
137.05965	2.1
137.09650	2.9
137.13234	1.7
139.03966	1.3
139.11215	2.7
141.06944	2.3
142.07780	2.9
143.08591	9.3
143.10678	3.5
144.09293	2.3
145.06512	1.5
145.10136	22.6
147.04395	10.7
147.08051	2.9
147.11673	16.5
149.05914	1.7
149.09631	8.6
149.13272	5.5
151.07555	4.9
151.11183	4.6
153.01826	4.7
153.12762	2.6
155.08536	3.3
156.09335	2.3
157.10129	14.3
158.10881	1.6
159.08055	1.7
159.11705	26.5
161.09645	4.2
161.13252	6.7
163.11237	3.5
163.14851	1.5
165.12788	2.0
167.10681	3.5
169.10139	4.8
171.08112	1.8
171.11696	9.0
173.09718	1.7
173.13281	10.2
175.11206	5.2
175.14857	2.0
177.12750	1.3
179.10768	1.6
181.10130	1.7
183.08095	1.3
183.11736	5.6
185.09641	4.2
185.13292	10.8
187.14758	8.3
189.12761	2.4
189.16316	2.0
193.12224	2.1
195.11736	2.2
197.13252	3.0
199.11217	3.1
199.14748	7.7
201.12772	2.6
201.16414	13.2
203.14357	2.7
203.18002	2.4
209.13319	2.6
211.14810	3.6
213.12787	1.7
213.16402	4.8
215.18044	1.9
221.13393	1.6
223.14790	2.9
225.16432	5.0
227.17979	8.3
229.19577	2.2
241.15837	2.7
243.13731	3.1
243.17564	1.5
245.19055	1.6
255.17453	1.8
255.21072	18.0
257.22632	3.1
265.19595	2.4
273.22025	1.9
283.20578	15.8
285.22180	1.7
286.04599	3.0
287.05502	100.0
288.05829	2.3
301.07077	7.2
301.21597	8.7
319.22693	1.8
379.22177	1.6
409.23630	3.4
416.81540	1.4
427.24277	6.5
445.16177	1.5
445.25687	23.4
463.08612	4.1
463.26910	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	463.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01862	1.5
55.05512	8.0
57.03456	1.3
57.07067	1.5
64.40694	0.6
65.03930	1.6
67.01855	0.7
67.05505	10.1
69.03439	6.6
69.07072	7.7
71.04991	2.0
71.57055	0.7
77.03940	0.8
79.05493	11.7
81.03420	11.1
81.06590	1.1
81.07060	18.1
81.53838	0.6
83.04982	2.3
83.08624	1.2
85.02908	3.7
85.06528	0.9
87.04433	0.7
91.05482	14.5
93.07046	35.4
95.04964	6.5
95.08611	16.1
97.02888	4.0
97.06519	2.7
97.10173	4.8
98.97568	1.0
99.04427	1.8
103.05425	1.2
104.91302	0.7
105.03378	3.6
105.04505	1.1
105.07030	20.8
107.04930	2.1
107.08597	23.9
109.02901	7.9
109.06506	3.1
109.10162	9.0
111.04437	2.4
111.08061	1.8
111.11637	0.9
117.07024	3.9
119.04922	1.2
119.08584	15.7
121.06487	1.9
121.10145	23.2
123.04420	1.4
123.08050	3.8
123.11700	5.7
125.02399	0.9
125.05978	1.5
125.09647	1.6
127.03901	1.8
128.06226	0.8
129.07013	1.2
130.07793	1.1
131.04947	1.5
131.08575	8.2
133.06502	0.8
133.10135	11.2
134.16615	0.7
135.04427	2.2
135.08078	2.5
135.11694	9.2
137.05965	1.3
137.09639	1.9
137.13190	0.9
139.11182	1.4
141.06989	1.6
142.07761	1.5
143.08549	5.1
143.10689	1.1
144.09349	1.9
145.10126	12.3
147.04393	1.6
147.08076	2.1
147.11688	11.2
149.09645	5.2
149.13289	3.6
151.07487	1.2
151.11172	2.4
153.01816	4.7
153.12784	1.1
155.08549	1.9
156.09363	1.6
157.10141	7.8
159.08058	1.3
159.11703	14.7
161.02396	0.8
161.05975	0.7
161.09607	2.5
161.13300	4.9
163.11179	2.3
163.14856	0.9
165.09061	1.0
165.12770	1.9
167.10629	1.7
169.10143	2.4
170.10899	1.5
171.11699	5.1
173.09645	1.3
173.13263	5.8
175.11211	2.7
175.14771	1.1
177.05534	0.7
177.12700	1.3
179.10718	1.1
181.10165	1.1
183.11671	2.2
185.09589	1.3
185.13248	4.3
187.11162	1.6
187.14804	4.8
189.12744	1.2
189.16342	1.4
191.10654	0.8
193.12305	1.1
195.11674	1.6
197.11702	3.5
197.13252	1.3
199.11172	1.0
199.14789	4.6
201.12770	1.6
201.16380	8.6
203.14223	0.8
203.17979	1.5
205.12299	0.7
211.14822	1.5
213.12851	1.3
213.16405	2.2
215.14369	0.8
215.17876	0.9
219.13867	0.8
223.14894	1.0
225.12708	1.2
225.16388	1.9
227.14381	1.7
227.17961	5.3
229.15909	0.8
229.19547	0.7
241.15836	0.9
243.13676	1.0
245.19028	1.2
253.19641	0.9
255.17413	0.7
255.18114	0.7
255.21095	9.2
257.15265	0.8
257.22635	2.4
261.14978	0.9
265.19608	2.3
273.22034	1.7
279.16028	1.4
283.20557	8.0
286.04761	1.4
287.05502	100.0
288.05807	2.3
301.07083	5.6
301.10471	1.0
301.21603	5.5
303.16025	0.7
311.14883	1.2
319.22723	1.0
409.23627	1.4
427.24475	4.4
445.25702	14.6
445.35400	0.8
463.08932	3.3
463.26880	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	463.1576
Annotation	Exoticin
Peak:m/z	Relative Intensity
65.15215	0.4
66.87551	0.3
69.03423	0.5
69.15864	3.3
70.06615	0.5
73.93059	0.3
81.03344	0.3
97.02883	0.5
107.04938	1.4
108.05277	0.6
108.25302	0.4
137.05887	0.3
161.05986	0.4
177.05186	0.3
205.04732	53.1
258.05237	0.4
266.07681	5.2
267.08389	1.0
279.08466	0.4
286.04657	0.8
287.05609	0.9
301.07108	3.3
415.13672	0.6
463.15778	100.0
464.16110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
52.39357	0.3
53.03924	0.3
57.03414	0.4
61.02921	0.5
61.94132	0.3
67.01833	0.4
68.99815	0.4
69.03414	1.2
69.56100	0.8
69.56525	1.2
71.05005	1.6
79.05502	0.5
81.03399	0.4
81.07040	0.6
84.96053	0.4
85.02919	4.0
95.08582	0.5
95.86800	0.3
97.02868	0.9
99.04426	0.3
105.06976	0.3
109.02888	0.5
109.56179	0.3
121.02841	0.3
127.03914	0.6
135.04440	1.1
145.04945	0.5
147.04471	0.4
153.01842	5.0
173.51740	0.3
173.87723	0.3
229.04921	0.5
241.04993	0.7
243.08821	0.4
258.05267	14.6
271.06021	0.4
286.04742	35.3
287.05518	80.7
288.05798	0.9
301.07086	100.0
302.04193	0.6
302.07416	1.3
317.06531	3.5
325.14532	0.3
337.74915	0.4
463.08533	2.3
463.14600	0.4
463.20529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1576
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
62.95952	0.4
69.03418	0.7
69.99661	0.7
70.00063	1.2
70.06590	0.8
80.50149	0.5
81.07039	0.7
85.02893	1.2
87.16693	0.4
91.05479	0.5
93.07045	0.6
97.02913	0.4
98.97596	0.8
105.07025	1.0
107.04932	1.9
123.04411	1.1
125.06017	0.5
127.03926	0.5
133.06473	0.5
139.03951	0.5
147.04364	0.6
153.01839	1.1
161.06018	0.8
163.03900	0.6
177.05309	0.7
179.03290	0.6
187.04573	0.4
192.56604	0.4
202.06293	0.5
205.04729	50.7
206.05025	0.5
207.34204	0.4
220.55904	0.5
223.06006	0.4
228.56544	0.4
255.78592	0.5
258.05154	0.8
266.07697	4.3
267.08450	0.6
286.04657	1.6
287.05511	14.3
291.46756	0.5
301.07068	7.1
301.12488	1.0
401.17392	0.7
403.10580	1.2
407.21362	0.4
431.15146	0.9
463.15747	100.0
464.15851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
55.06700	0.1
67.27438	0.1
71.05402	0.2
71.05734	0.1
81.36638	0.1
82.79790	0.1
82.95029	0.1
91.05486	0.1
103.60490	0.1
106.02442	0.1
137.05876	0.1
147.04379	0.4
153.01895	0.5
194.64743	0.1
195.29761	0.1
208.65385	0.1
229.04948	0.3
235.08134	0.1
257.04575	0.2
258.05249	13.3
259.05548	0.2
286.04730	34.7
287.05450	3.2
301.07071	100.0
302.07434	1.4
352.40985	0.1
463.12479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0871
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
54.56378	0.1
55.79915	0.1
67.01870	0.5
68.99798	0.3
70.64577	0.3
74.82569	0.1
89.03902	0.1
117.03355	0.2
135.04417	1.7
137.02374	0.5
153.01831	4.9
161.02388	0.5
171.02866	0.3
179.03401	0.3
213.05479	0.2
229.19293	0.1
231.06430	0.1
241.05034	0.5
245.04407	0.1
259.06015	0.1
263.05325	0.1
269.04498	0.4
273.16245	0.1
275.94974	0.1
287.05490	100.0
288.05798	1.5
463.08685	3.9
463.15274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.8
56.96555	17.9
57.03426	9.9
58.99872	8.5
59.44140	4.2
61.02911	15.8
68.46793	4.4
68.54446	4.3
69.03426	28.2
69.19786	39.7
69.20191	6.4
71.05003	5.3
73.02916	8.9
77.00918	6.5
81.03420	10.2
82.68068	4.7
85.02910	79.2
88.35389	4.6
91.04004	5.0
95.04960	4.8
97.02905	35.4
98.20799	9.9
98.97593	47.5
99.04444	6.6
101.00881	36.8
102.39034	4.3
107.04964	38.1
109.02879	7.8
110.97573	9.5
112.99175	5.4
115.02427	13.6
116.98631	11.6
117.04002	8.3
118.61480	4.2
119.01923	71.7
127.03899	31.8
128.02325	4.9
128.98645	8.7
129.03969	13.1
131.01892	19.3
131.05557	16.3
133.03494	21.0
135.01393	12.1
137.02951	9.6
137.06006	10.1
140.02341	5.2
143.00201	7.5
143.01868	24.7
143.05528	7.3
144.99834	15.1
145.03445	13.1
145.04979	26.3
147.05054	11.4
149.02974	7.5
149.06602	21.5
153.02396	7.3
153.04027	4.9
153.05542	5.4
155.01935	12.1
156.97499	12.0
157.03429	16.0
158.99652	12.1
159.01424	10.7
159.05046	8.9
161.02975	26.7
161.06619	14.4
163.08154	9.4
169.01753	5.9
170.99640	8.4
171.05080	23.5
172.99254	11.1
173.02983	16.9
173.06602	19.3
174.98619	10.8
175.00912	11.9
175.04555	12.1
177.00861	9.0
177.02460	18.9
180.97479	14.3
184.99344	11.5
185.02959	11.4
185.06573	8.2
186.99327	6.5
187.00929	26.8
187.02718	5.8
187.04483	7.6
189.00764	11.1
189.02469	15.1
189.06142	21.7
191.00446	7.3
191.03976	12.4
193.05569	6.9
197.02994	4.7
198.98598	100.0
199.00691	6.8
199.04590	13.2
200.04433	12.2
201.00702	10.8
201.06145	9.6
203.00406	15.3
203.02147	5.5
203.03973	8.9
203.07616	7.6
205.01979	23.8
207.03546	7.4
207.07123	15.8
210.98531	6.4
212.98805	7.2
213.06142	13.4
215.07761	6.8
216.99602	27.8
217.01956	13.1
217.05563	18.7
219.01729	16.9
219.03638	6.6
221.05104	10.9
223.02989	9.2
225.55209	4.5
227.04060	16.4
228.99660	10.0
229.01962	10.0
229.05629	9.3
230.99887	40.9
231.07147	25.9
235.06567	5.3
237.02867	10.0
240.99638	16.6
241.05490	6.9
243.01634	7.5
243.07246	7.2
245.01474	9.4
245.05142	25.8
247.03023	13.1
257.05124	48.9
259.00494	12.1
259.06622	18.4
261.02655	8.9
263.02499	34.4
265.03925	6.9
271.06628	6.8
273.08322	8.2
275.06174	11.0
279.04004	7.4
281.07138	8.6
283.00494	17.1
285.04645	24.8
287.05759	8.2
289.04269	7.6
289.07675	10.5
291.01831	9.4
301.01437	43.9
301.07611	16.9
305.03549	18.5
307.08841	5.2
315.09525	6.1
317.07202	97.9
318.07504	4.9
319.02194	16.4
323.04474	11.9
329.07166	7.5
333.03406	5.6
333.10162	9.1
345.06525	10.3
345.10379	6.6
347.08228	7.4
359.08212	9.1
377.09213	22.2
463.06641	17.0
463.12225	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	462.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99125	0.9
55.05505	1.3
57.03435	1.2
61.02889	1.1
61.89265	0.8
61.92949	0.9
64.17931	1.1
67.05493	2.5
69.03429	8.1
70.35683	2.9
72.47982	1.1
79.05500	2.6
81.03419	1.4
81.07047	3.2
83.04969	1.9
85.02907	8.5
86.85709	1.0
89.06023	1.6
91.05470	4.3
93.07044	4.3
95.04960	7.3
95.08603	3.7
97.02898	3.5
97.06504	1.4
99.04452	1.3
104.18101	0.9
105.07034	9.8
107.04979	1.8
107.08588	4.8
109.02885	2.1
109.06525	4.7
109.10163	1.5
111.04419	6.3
111.08056	1.7
113.05979	1.9
114.99281	1.0
117.07016	1.5
117.15246	0.9
118.79114	1.0
119.04961	1.0
119.08566	13.9
121.02889	1.4
121.06495	7.1
121.10109	2.6
123.04432	1.1
123.08086	6.3
127.03947	1.2
128.03835	1.1
128.06210	1.7
129.06993	2.3
131.08598	5.9
133.06480	2.7
133.10118	4.0
135.08040	11.2
137.09570	2.4
139.03879	2.3
141.07033	1.4
142.07745	1.5
143.08545	4.4
145.06497	1.6
145.10101	6.2
147.04439	1.6
147.08063	7.4
147.11665	3.0
149.09625	2.8
155.08461	1.3
156.09396	1.4
157.10103	3.4
158.07246	3.7
159.08060	7.5
159.11671	8.7
160.08771	1.4
161.09618	9.4
165.09148	5.9
168.09393	1.1
171.08028	1.6
171.11690	3.3
172.08820	3.8
173.09636	3.6
173.13258	4.2
175.07579	10.3
175.11137	6.1
183.11642	2.4
185.09595	1.5
187.11176	7.9
189.09128	3.7
189.12749	3.2
191.07114	1.0
193.08632	3.5
196.08806	2.6
199.11150	5.4
201.12749	6.7
203.10655	8.0
205.12311	1.4
211.11136	5.1
217.12212	6.4
219.13814	1.3
229.12209	8.3
235.13240	3.7
247.13303	25.3
265.14349	100.0
266.14703	1.0
282.13574	1.1
283.17422	1.7
287.05502	4.5
462.19153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03938	4.3
55.01864	3.4
55.05513	14.1
57.03440	5.1
65.03930	1.9
67.05508	33.3
69.03420	2.1
69.07074	10.8
69.91404	0.9
70.19131	3.5
71.04969	1.1
72.38015	0.8
79.05498	29.3
81.03423	42.0
81.07062	38.9
83.04570	0.9
83.04981	5.9
83.08619	14.1
83.50674	0.8
85.02898	1.0
85.06559	1.3
91.05484	26.4
93.07054	28.6
93.07640	1.6
95.04971	19.1
95.08619	16.0
97.02950	1.3
97.06534	4.5
97.10180	5.9
98.62164	0.9
98.97621	1.0
99.08099	1.5
103.05446	1.2
105.04528	0.9
105.07040	17.8
107.04960	6.1
107.08604	14.6
109.06523	4.1
109.10158	5.4
111.08086	6.2
114.36069	0.9
115.05400	1.9
117.07024	11.1
119.04939	1.9
119.08597	12.4
119.28902	0.9
121.06525	8.0
121.10154	12.4
123.04372	0.9
123.08080	3.4
123.11699	2.0
125.09618	5.0
128.06232	2.2
128.99997	0.8
129.07008	10.4
131.04936	2.4
131.08574	14.7
133.06462	5.3
133.10155	8.1
135.08080	2.1
135.11717	4.4
137.05991	1.4
137.09630	2.5
141.06972	2.2
142.07834	2.0
143.08560	5.2
145.06523	4.2
145.10155	4.8
147.08060	4.7
147.11708	5.1
149.09616	4.1
149.13266	12.7
153.09134	0.9
155.08574	2.6
157.06378	1.1
157.10165	6.6
159.08084	1.8
159.11667	10.0
161.09644	2.8
163.11182	2.2
165.09119	3.3
169.10141	1.8
171.08145	1.0
171.11687	2.5
173.09607	1.7
175.11230	4.6
177.12761	4.1
181.10146	1.4
183.11707	1.9
185.13280	1.1
187.11211	1.3
189.11290	3.0
193.12239	13.3
195.11792	1.0
195.13818	3.9
199.11214	1.4
199.14845	1.4
201.12822	1.5
203.14340	1.0
213.12866	1.4
217.15901	3.5
227.12787	2.1
233.15457	1.1
235.15060	1.0
239.14354	1.2
249.14891	3.6
271.95944	1.1
273.18503	1.0
275.16544	1.2
341.24847	2.1
341.74393	0.9
343.22739	3.8
351.23138	5.4
361.23904	1.4
369.24240	11.7
387.25339	8.6
405.26334	2.5
417.26410	5.5
425.26801	1.2
443.27939	14.7
461.29004	100.0
462.29050	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03934	1.2
55.01886	0.6
56.63113	0.3
56.96563	0.3
57.03435	0.6
61.02922	1.2
64.66306	0.2
67.40073	0.3
69.03436	2.2
71.17092	0.3
73.02906	0.9
79.05482	3.7
79.05904	0.3
81.03416	1.2
81.07056	0.3
85.02905	8.4
91.03941	0.5
91.05481	1.0
95.01329	0.3
95.04967	1.0
97.02879	1.7
98.97588	0.7
99.04489	0.3
101.02398	0.4
103.05497	0.9
105.04507	0.3
107.04957	100.0
108.05276	0.7
109.02860	0.7
115.05441	0.3
119.03394	1.4
119.04935	1.2
119.08562	0.3
121.02894	0.5
123.10260	0.3
127.03912	1.1
129.07088	0.5
131.04935	5.3
133.06514	0.4
135.04446	0.8
137.05991	0.4
145.04962	1.2
145.06441	1.4
147.04424	2.5
147.08069	0.8
157.06505	2.4
159.04413	1.8
162.92813	0.3
173.05978	2.3
175.03990	0.8
175.07503	0.6
177.05458	1.7
179.07069	0.4
185.05981	10.7
187.03906	6.1
193.05003	0.8
201.05476	0.5
203.07031	6.7
205.04922	0.8
219.01877	0.3
219.06541	8.9
220.02113	0.3
221.08078	0.3
237.07587	2.9
247.06027	2.4
265.07080	28.5
266.07581	0.3
283.08133	10.1
300.10706	0.3
306.09601	0.4
319.12534	0.3
462.16687	1.4
463.16022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2899
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
52.14161	2.2
53.03937	8.9
55.01861	8.1
55.05273	2.1
55.05516	30.2
57.03434	10.7
59.09349	1.9
65.03931	4.9
67.05506	67.6
69.03422	2.8
69.07068	18.9
70.86098	7.2
71.04987	6.0
79.05497	68.5
81.03420	15.1
81.07059	66.3
83.04982	10.9
83.08623	18.1
85.06557	6.1
91.05483	68.8
93.07045	56.3
95.04978	19.8
95.08601	33.5
97.02889	2.8
97.06532	9.7
97.10178	9.6
99.08048	2.4
103.05518	3.0
105.04537	2.7
105.07034	51.9
107.04965	12.6
107.08593	28.3
109.06509	7.3
109.10143	17.6
111.08077	3.9
114.30019	2.1
115.05433	5.4
117.07030	27.9
119.04923	4.1
119.08585	25.6
121.06503	10.0
121.10147	15.3
123.08086	4.3
125.09681	2.4
128.06261	11.2
129.07011	38.3
130.07803	2.7
131.04929	3.2
131.08578	45.1
133.06500	8.8
133.10106	15.0
135.08081	5.1
135.11702	15.7
137.09669	2.6
141.06982	14.8
142.07816	4.1
143.08553	31.8
145.06491	13.5
145.10109	22.5
147.08078	6.8
147.11685	16.0
149.09663	7.9
149.13274	5.0
153.07024	4.1
155.08571	18.0
157.06506	4.4
157.10165	16.5
159.08122	6.8
159.11705	11.3
161.09662	4.3
161.13232	4.7
163.11214	3.9
167.08585	9.4
169.10139	14.8
171.08141	3.2
171.11679	17.9
173.09589	2.3
173.13402	4.9
174.98753	2.2
175.11189	4.6
177.12755	3.9
179.08600	5.4
181.10110	10.7
183.11740	9.5
185.13300	9.3
187.11211	4.4
187.14838	3.1
189.12738	4.1
193.10303	2.0
193.12248	4.3
195.11681	6.7
197.13235	6.3
199.14899	3.8
201.12788	3.7
207.13852	9.1
209.13435	5.2
211.11328	3.3
213.16585	2.8
215.14349	6.1
217.15836	5.7
221.13330	6.8
223.14925	7.1
225.12920	3.6
231.13847	3.9
231.17583	2.3
235.14935	5.1
239.14339	4.7
243.17442	2.6
253.16039	4.2
271.16864	3.9
285.18390	2.6
323.23740	6.5
333.22266	11.2
341.24844	7.3
349.16925	2.9
351.23218	36.8
369.24292	33.1
387.25348	19.2
405.26468	2.6
415.28342	2.8
425.26871	4.8
433.29425	2.7
443.27896	61.2
449.16257	2.5
461.29062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54798	0.4
53.03944	0.4
53.96351	0.3
57.03448	0.4
60.09125	0.4
62.68328	0.3
62.68647	0.3
65.03918	0.4
69.03427	1.5
69.44366	1.2
69.44798	1.4
70.06564	0.8
71.04990	0.4
72.08144	0.5
81.03434	1.8
85.02892	2.0
86.09698	1.3
87.04391	0.5
91.05484	7.5
97.02866	1.3
107.04967	1.7
109.02888	1.3
119.04943	19.3
127.03916	0.9
147.04417	100.0
148.04713	0.9
151.03967	0.9
163.04024	0.6
165.05469	3.8
269.10718	0.4
291.08603	2.6
299.09039	0.7
309.09775	5.0
341.09393	0.4
461.14578	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	461.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
57.01629	0.5
65.03940	1.7
69.03410	2.3
69.51973	3.8
70.83856	0.5
72.08159	0.7
81.03424	2.8
81.13277	0.5
85.02917	2.3
85.06537	0.8
86.09712	1.5
91.05486	30.0
97.02895	1.3
98.97581	0.7
99.04465	0.7
107.04970	3.3
107.08562	0.9
109.02909	1.0
109.06577	0.5
111.08087	0.5
119.04947	17.0
119.08562	0.6
123.08076	0.6
127.03912	0.6
131.08603	0.5
135.63808	0.5
147.04414	100.0
148.04762	1.0
149.09665	0.8
155.82491	0.5
158.74112	0.4
163.03917	1.4
165.05505	3.4
184.99847	0.5
191.14293	3.7
194.65939	0.5
194.85767	0.6
209.15375	4.3
210.02414	0.6
223.68811	0.5
266.57104	0.5
291.08569	1.4
299.20172	0.6
309.09772	4.1
313.81546	0.6
461.14392	0.9
461.20087	1.1
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
53.03946	3.6
55.01871	2.6
55.05512	8.9
57.03448	7.1
61.02919	1.4
65.03922	2.3
67.05510	19.5
69.03432	4.0
69.07055	4.8
69.38789	3.9
69.39202	7.0
71.05005	1.9
71.27061	1.5
79.05498	29.2
81.03432	9.5
81.07057	29.5
83.04980	5.9
83.08606	4.1
85.02898	4.5
85.06541	2.2
91.05484	31.6
93.07047	32.3
95.04964	8.9
95.08613	19.1
97.02891	3.7
97.06522	3.6
97.10174	3.8
98.21501	2.8
105.03382	1.6
105.06399	2.3
105.07050	21.6
107.04977	7.8
107.08607	13.6
109.02876	1.8
109.06524	4.6
109.10165	6.2
111.04494	1.9
111.08085	2.5
115.05463	1.4
117.07006	4.2
119.04947	20.7
119.08587	11.3
121.06490	3.8
121.10138	5.4
123.08110	3.6
123.11685	2.4
125.06013	2.3
127.03881	3.4
128.06161	1.6
129.07019	6.6
131.04938	3.8
131.08588	3.6
133.06529	1.7
133.10162	7.2
135.08018	2.3
135.11705	8.6
137.05975	4.3
137.09608	2.5
137.13249	1.8
143.08566	4.1
145.02881	1.4
145.10139	5.3
145.82356	1.7
147.04420	79.2
147.08049	1.9
147.11688	15.8
149.09642	1.9
151.07555	2.3
153.05405	1.5
156.63858	1.2
157.06401	1.7
157.10146	2.0
159.08170	1.4
159.11703	3.2
161.09616	2.8
161.13264	5.8
163.11195	3.4
165.09140	2.6
171.11684	9.5
173.09618	1.5
189.12610	2.8
193.12227	1.7
196.08859	1.5
197.09666	1.8
203.14839	1.4
207.13762	6.9
251.39522	1.4
253.15860	5.1
279.16019	2.2
281.17502	100.0
282.18027	1.7
309.09741	1.6
369.23676	2.0
369.92838	1.4
387.24481	1.9
433.67715	1.6
438.26108	1.4
461.17474	2.7
461.29062	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89522	0.2
53.03955	0.2
55.05513	0.3
57.03419	0.2
60.57953	0.2
67.05493	0.5
69.03421	0.4
69.07066	0.3
69.42486	1.3
71.04993	0.3
79.05489	0.4
80.74619	0.2
81.03421	0.6
81.07061	0.7
82.14848	0.2
83.04987	0.2
85.02905	0.7
85.06566	0.3
91.05474	0.9
93.07052	0.7
95.04977	0.3
95.08611	0.5
97.02917	0.4
98.97584	0.4
105.07032	0.4
107.04957	9.7
107.08598	0.5
109.02890	0.4
109.06511	0.4
109.10152	0.4
110.56587	0.2
119.04937	0.4
119.08598	0.5
121.10150	0.4
123.11710	0.5
127.03930	0.4
129.05479	0.2
133.10092	0.3
135.11670	0.5
137.05940	0.2
137.09604	0.3
145.03389	0.2
147.04428	2.7
149.09680	0.2
163.11217	0.3
165.12842	0.2
167.10785	0.2
170.86739	0.2
173.13266	0.2
173.69928	0.2
193.04980	4.7
210.95161	0.2
219.13803	0.2
252.09395	0.4
281.17810	0.2
285.07660	0.3
299.09152	12.9
317.06604	0.4
331.07999	0.3
376.32370	0.2
461.14197	100.0
462.14536	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25235	0.2
50.81000	0.3
55.01865	0.3
55.05503	0.5
67.05523	0.7
69.03406	0.8
69.07074	0.4
70.06586	0.4
70.75331	0.3
70.75674	0.7
75.62334	0.3
79.05489	0.9
80.79794	0.3
81.03413	0.9
81.07046	1.2
85.02923	0.9
87.84584	0.4
91.05490	1.6
93.07061	1.7
95.04971	0.7
95.08612	0.9
97.02884	0.7
97.06554	0.5
99.04420	0.5
105.07024	0.6
107.04967	1.3
107.08598	0.9
109.02883	0.8
109.10152	0.4
111.04457	0.3
119.04926	1.3
119.08570	0.5
121.10135	1.0
123.11731	0.4
125.06068	0.3
125.09589	0.4
127.03914	0.6
133.10147	0.4
135.08054	0.4
135.11717	0.9
137.05988	0.5
137.09554	0.3
145.06552	0.3
145.10104	0.4
147.04437	4.2
151.07544	0.8
153.12746	0.4
157.10170	0.3
163.03899	0.3
165.09134	0.4
167.10765	0.5
175.49609	0.3
177.09201	0.4
186.24622	0.3
193.05055	0.3
195.13823	0.6
205.04991	0.7
299.09109	2.0
315.10764	0.6
331.08115	0.6
399.14240	1.5
461.14169	100.0
462.14474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1423
Annotation	Nap-His-OH
Peak:m/z	Relative Intensity
55.05507	0.3
66.81484	0.2
69.03407	0.3
69.07065	0.2
69.42521	1.8
81.03400	0.3
81.07050	0.8
83.04952	0.2
85.02930	0.5
91.05472	0.8
93.07030	0.5
95.04963	0.4
95.08599	0.4
98.21519	0.4
98.97589	0.4
105.07025	0.5
107.04962	7.7
107.08588	0.4
109.10159	0.4
119.04918	0.3
121.10159	0.3
127.03941	0.4
133.10127	0.3
147.04393	2.1
153.05434	0.3
166.63081	0.2
184.23984	0.2
193.04984	2.9
237.02779	0.3
252.09328	0.3
299.09152	8.7
317.06567	0.4
331.07959	0.6
461.14206	100.0
462.14499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05498	0.3
58.02519	0.3
58.93648	0.3
61.15540	0.2
63.88478	0.3
65.03987	0.3
67.05505	1.0
69.03423	1.0
69.07060	0.6
70.06614	0.4
71.04989	0.5
71.54678	0.3
79.05495	0.8
81.03422	0.8
81.07050	1.3
83.04989	0.3
83.34831	0.3
85.02907	0.9
89.60857	0.3
90.16553	0.3
91.05473	1.1
93.07045	1.7
95.04958	0.5
95.08610	1.0
97.02895	0.5
97.06506	0.3
98.97593	0.5
105.07020	0.6
107.04971	1.2
107.08583	1.1
109.02890	0.7
109.06493	0.6
109.10148	0.7
112.68185	0.3
119.04941	0.9
119.08556	0.8
121.06502	0.3
121.10126	1.0
123.04354	0.3
123.08025	0.4
123.11691	0.6
127.03905	0.9
130.80612	0.3
131.08498	0.3
133.10107	0.7
135.11731	0.5
137.05994	0.4
143.08649	0.3
147.04433	4.3
151.07564	0.6
157.16621	0.3
163.03886	0.4
163.11139	0.4
165.05559	0.4
165.09135	0.4
167.10765	0.3
181.04922	0.5
193.08661	0.4
195.13805	0.4
205.04941	1.1
225.16629	0.3
288.78976	0.3
299.09210	2.3
315.10596	0.5
317.08337	0.8
326.52420	0.3
330.70834	0.3
331.07516	0.4
399.14374	1.3
443.13257	0.5
461.14148	100.0
462.14679	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	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
54.97144	1.7
55.01884	12.3
57.03442	24.5
59.05014	3.5
60.04517	1.4
61.02930	19.2
69.03436	44.9
71.01350	5.2
71.04973	2.6
71.17178	2.6
72.08152	1.7
73.02924	89.3
79.05483	5.7
79.52409	1.7
81.03408	7.3
81.07036	2.0
81.77750	1.7
85.02912	92.2
87.04459	5.7
91.03954	4.5
91.05501	3.7
93.07065	1.6
95.04963	2.0
96.04520	1.7
97.02899	85.8
99.04475	4.1
103.03938	3.2
103.05473	10.8
103.06053	1.8
105.04517	2.1
107.04965	100.0
109.02882	8.6
115.03941	48.3
119.04940	2.9
127.03927	34.5
130.10745	1.7
131.04938	89.0
132.06459	1.7
133.04976	62.4
133.06000	3.4
144.06544	4.1
145.04967	48.6
147.04416	25.3
149.05997	98.6
150.07597	2.3
162.07730	2.0
163.06035	19.4
177.05450	6.4
193.04964	2.8
199.05995	4.3
217.27162	1.6
223.06015	10.7
227.07086	2.6
235.97896	1.6
241.07028	11.9
244.48053	1.7
245.08173	8.6
246.79498	1.7
259.08115	10.6
263.09146	4.5
276.10782	2.2
277.09149	2.2
293.09879	2.3
294.11789	2.3
295.10269	2.6
460.18246	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	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
55.01872	7.5
55.05487	0.9
55.93932	0.8
57.03448	4.9
57.03665	0.8
61.02934	4.6
68.99786	3.4
69.03434	24.7
70.18650	1.7
70.19050	1.9
71.04984	3.8
73.02917	6.2
76.52149	0.8
79.05482	2.4
81.03423	29.3
81.07040	1.3
83.98716	0.9
85.02911	68.6
87.00835	26.9
91.03925	1.6
91.05477	1.8
93.07047	4.9
95.04958	1.1
97.02900	26.7
98.06023	1.1
99.04465	11.7
103.05469	4.1
105.01875	23.4
105.07038	2.4
107.04952	6.9
107.08569	1.5
108.04484	8.7
109.02889	26.6
110.09101	0.9
115.03921	1.2
117.01882	4.0
119.08570	1.3
121.10136	5.0
124.23069	1.0
126.05480	2.5
127.03926	50.4
127.80378	0.9
129.01849	4.2
135.08083	6.0
136.30917	0.8
139.03911	2.1
145.04964	26.1
147.02858	2.5
147.04417	0.9
149.09662	1.0
149.93306	0.9
154.04990	1.7
154.06252	23.9
159.01576	0.9
159.02899	17.4
163.07553	24.9
165.09085	1.0
167.07088	1.5
167.10735	2.1
171.02834	1.0
177.04037	1.3
180.07819	1.1
189.04039	1.1
195.10184	100.0
207.10187	1.7
213.03954	2.7
230.06587	2.9
231.05008	12.2
248.07666	7.9
249.06213	1.0
266.08731	2.7
285.11316	1.3
303.12259	1.8
311.14810	2.5
385.69562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
54.30273	2.5
55.05514	20.5
57.07078	6.4
57.95114	2.3
65.03939	2.8
66.37936	2.3
66.39474	2.9
67.05511	28.6
69.06789	2.8
69.07078	29.8
70.84714	6.4
71.04977	2.9
79.05492	14.2
81.07062	61.3
83.04984	2.6
83.08620	20.5
85.06540	2.9
91.05484	14.2
93.07050	24.3
95.08613	99.5
97.06520	2.9
97.10160	10.6
98.20815	2.9
99.08112	2.5
105.07034	24.4
107.08605	54.2
109.10158	100.0
111.08073	5.0
111.11721	4.9
115.07545	3.0
118.17121	2.1
119.08576	26.2
121.10159	37.4
122.05467	3.0
123.08172	2.9
123.11706	27.5
125.09644	4.4
127.07545	2.5
129.09131	5.3
131.08537	4.5
133.10133	27.4
135.11708	24.8
137.09604	4.3
137.13239	9.5
143.10750	2.9
145.10138	6.7
147.11693	18.0
149.13316	14.8
151.11320	6.2
151.14856	3.8
159.11688	11.5
161.13272	13.8
163.14870	12.1
165.12732	3.8
167.10739	3.3
173.13277	10.3
175.14833	10.6
177.16406	17.1
179.10704	7.1
179.14342	7.2
180.82556	2.4
181.12189	4.7
183.13913	3.4
187.14841	5.4
189.16396	12.0
191.17992	13.1
195.13826	3.9
199.10706	2.7
201.16418	8.4
203.17963	20.2
205.15857	5.2
205.19492	4.1
207.17441	9.7
215.17967	7.8
217.19510	14.8
219.17427	6.3
221.19078	3.8
223.16843	4.1
229.19563	7.7
232.31407	2.8
233.18967	6.1
237.18590	4.5
243.21140	8.1
245.22644	3.2
247.20599	4.4
259.24066	3.1
285.25690	4.8
293.09766	3.3
299.27390	5.7
333.27792	3.3
347.29498	12.0
382.34384	2.9
387.16357	3.6
403.19098	5.3
423.36182	4.9
431.18259	4.1
441.37360	51.4
459.18036	21.9
459.22363	9.4
459.34546	9.5
459.38028	12.1
460.18628	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	459.3471
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.05513	13.2
57.07064	7.6
67.05505	24.0
69.07069	25.4
71.04996	13.7
79.05482	16.3
81.07062	65.4
83.04987	4.2
83.08620	8.3
85.06551	4.5
91.05487	10.1
93.07050	23.7
95.08609	86.7
97.06535	7.2
97.10184	5.6
99.08089	5.1
101.06023	3.6
105.07041	16.7
107.08595	27.1
109.10159	30.3
111.08073	5.7
111.11720	8.2
115.07564	22.0
117.07018	3.3
119.08589	29.3
121.10148	31.9
123.11688	17.0
129.05489	7.4
131.08556	9.9
133.10136	22.3
135.11681	14.3
137.13271	21.7
139.11177	2.9
143.08521	4.5
145.10115	17.4
147.11708	15.4
149.13246	9.5
151.07530	9.0
151.14813	3.9
157.10147	11.0
159.11719	9.5
161.09633	3.2
161.13278	10.9
163.14796	7.9
165.09120	5.7
165.12781	2.7
169.10103	3.0
171.11728	6.9
173.13313	8.1
175.11263	3.1
175.14827	10.8
177.09001	2.7
177.16386	7.0
178.60249	2.7
179.10677	3.7
179.17969	4.1
183.10127	3.5
187.14842	6.1
189.16403	7.7
191.10756	3.8
191.17990	6.6
197.13310	3.3
199.14972	3.2
201.16432	5.9
205.19519	4.2
213.16461	3.5
217.19560	4.5
221.11795	3.1
229.19472	3.9
231.21104	10.0
237.14706	3.0
243.21196	3.4
245.22673	8.9
249.14659	2.9
257.22687	3.0
295.19086	7.6
299.27371	4.2
303.19684	3.7
307.19159	7.3
309.20590	3.6
321.20602	3.3
359.25894	3.8
361.27332	3.8
373.27499	8.7
395.33038	3.1
415.32080	3.4
441.33414	19.4
459.28751	5.4
459.34729	100.0
460.34891	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
49.99959	1.8
53.03931	2.7
55.05500	7.2
56.84077	1.8
57.07058	5.7
67.05502	15.7
69.07075	12.3
69.35439	2.0
71.08602	2.1
71.54662	3.5
79.05473	6.7
81.03399	2.4
81.07056	37.6
83.08622	4.6
85.02872	2.3
85.06533	3.7
86.77028	1.8
91.05486	10.3
93.07044	16.7
94.06107	1.8
95.04953	3.0
95.08606	54.4
96.15852	2.0
97.06511	2.9
97.10173	2.2
101.06007	2.3
105.07034	17.6
107.08591	23.5
109.10162	24.9
111.08092	4.6
111.11700	4.5
116.53187	1.9
117.07002	4.1
119.08587	33.7
121.10141	21.5
123.08031	3.2
123.11716	14.2
129.05463	5.5
129.07028	3.7
131.08548	8.6
133.10149	19.1
135.07986	3.2
135.11722	16.0
137.13237	13.7
143.08543	4.1
145.10143	12.5
147.08098	2.8
147.11667	12.3
149.13345	3.8
149.16699	2.5
151.07494	3.8
151.14830	2.3
157.08731	1.9
157.10086	7.3
159.11720	14.6
160.22757	2.1
161.09630	3.2
161.13261	6.3
163.11169	2.5
163.14854	4.5
165.09061	5.1
171.11665	6.2
173.13248	15.2
174.71593	2.7
175.11154	4.9
175.14799	5.1
177.16412	11.1
179.10690	3.2
183.10233	2.5
183.11693	4.0
185.13248	5.1
187.14842	7.9
189.16348	3.0
191.10640	12.0
191.16125	1.8
191.17935	6.9
197.11662	2.8
199.14824	4.0
201.12697	2.4
203.10686	2.3
209.11827	3.0
211.13211	4.2
221.11557	2.9
231.21049	11.7
233.11528	2.4
235.13376	3.3
243.21046	8.1
245.22574	3.1
257.22540	3.1
259.24142	3.3
269.22659	5.6
271.24072	2.6
277.17953	5.2
283.24158	4.5
291.19333	2.8
297.25778	4.5
301.14105	13.0
303.19614	11.1
311.27328	16.4
313.28766	2.3
317.21054	3.5
324.30743	2.4
340.31564	2.0
371.25870	2.8
413.30450	2.7
423.32693	2.6
441.33658	100.0
459.34518	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	459.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82696	3.1
55.01862	3.9
55.05277	3.4
55.05517	59.7
56.08769	3.0
57.07087	4.8
57.19450	3.2
59.05008	4.2
60.39081	3.0
62.52909	2.9
67.05244	3.4
67.05511	42.2
69.03425	9.4
69.07071	22.3
70.17981	15.2
77.51836	3.0
79.05507	30.2
79.75839	3.3
81.03423	6.2
81.07060	45.4
83.04977	9.3
83.08619	42.4
85.06550	4.3
86.44694	3.9
91.05479	17.3
93.07051	25.8
95.08604	28.9
97.06509	5.4
97.10179	81.1
99.57395	3.4
105.07042	14.1
107.08622	28.1
109.10162	14.4
111.08065	5.9
111.11717	7.0
117.07059	4.5
119.08574	15.2
120.83675	3.1
121.10159	15.7
123.11716	6.3
125.09633	72.8
129.06982	3.4
131.08568	5.7
133.10121	11.4
135.08078	6.6
135.11662	16.3
139.11070	4.1
141.05148	3.4
143.10629	6.4
145.10107	7.5
147.11678	13.0
149.13252	4.9
151.11113	4.5
153.09100	7.6
159.11696	3.9
171.10112	7.0
189.11221	94.5
217.19547	10.4
235.20586	9.3
245.20627	3.5
253.21497	8.2
259.08548	3.7
261.18411	4.2
367.22278	4.2
369.27945	8.0
371.06918	4.1
387.28845	18.1
405.29999	100.0
423.31107	29.4
441.34122	5.0
459.27347	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	459.3473
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03934	1.2
55.05511	7.2
57.07080	4.6
65.03936	0.8
67.05506	13.7
69.03417	1.2
69.07069	15.3
69.50893	4.2
72.79160	0.6
79.05494	8.8
81.03398	0.7
81.07058	41.8
83.04970	1.9
83.08625	6.5
85.06533	3.6
89.58688	0.5
91.05471	7.7
93.07044	18.5
95.04965	0.8
95.08608	57.5
97.06548	1.0
97.10175	3.2
98.21477	1.1
99.08092	2.4
101.06031	4.0
103.05447	0.7
105.07030	16.1
107.07864	1.3
107.08594	24.5
108.76488	0.6
109.06504	1.8
109.10160	21.9
109.32262	0.6
109.77765	0.6
111.08074	5.9
111.11716	4.5
115.07612	0.6
117.07008	3.1
119.08585	32.5
121.06548	1.0
121.10143	26.0
123.08064	0.9
123.11717	15.7
125.09673	1.3
125.13289	1.1
129.05487	6.8
129.07001	2.4
129.09111	1.6
131.08563	8.0
133.06502	1.5
133.10135	24.1
135.08046	1.2
135.11688	10.0
137.09645	1.9
137.13260	22.2
140.87772	0.7
142.07809	1.0
143.08583	4.1
144.09377	1.2
145.10127	13.7
146.10835	0.7
147.08069	3.3
147.11688	15.0
149.09656	1.6
149.13269	6.5
151.07530	1.5
151.14819	1.5
155.07039	2.1
155.08496	0.9
156.09331	1.7
157.08736	1.1
157.10109	7.7
158.10951	0.9
159.08072	1.4
159.11694	18.2
161.09642	3.3
161.10977	0.7
161.13239	7.5
163.11160	1.0
163.14816	6.0
165.09134	4.9
165.12854	0.8
165.16464	0.7
167.07031	0.8
169.08612	1.4
169.10094	2.2
170.11009	0.9
171.11678	6.6
172.12465	1.1
173.09737	0.8
173.13272	16.1
175.07573	1.5
175.11211	3.8
175.14827	5.8
177.09116	1.1
177.16379	9.4
179.10651	4.0
179.17960	1.1
181.08571	0.8
183.10159	2.8
183.11726	3.1
185.09653	0.8
185.13231	4.3
187.11195	1.3
187.14847	6.4
189.09200	1.1
189.12839	1.3
189.16402	4.1
191.10657	1.2
191.17929	5.5
193.08650	1.1
193.12234	1.8
195.10117	1.2
197.11731	3.1
197.13115	1.0
199.11206	0.7
199.14815	4.1
201.12755	2.4
201.16333	3.4
203.10707	2.2
203.17931	3.2
205.12393	1.0
205.19559	2.4
207.10211	1.8
209.11717	2.1
211.11423	1.2
211.13116	3.5
213.12820	0.6
213.16335	3.2
215.10808	0.7
215.14323	1.3
215.17928	2.1
217.12254	1.4
217.15814	1.0
217.19551	1.7
219.13821	1.1
221.11746	5.3
223.13109	0.9
225.16638	0.7
227.14378	0.7
227.17979	1.9
229.12331	1.5
229.15797	1.2
229.19582	2.8
231.13863	0.7
231.21066	14.8
233.11755	0.9
235.13347	2.7
237.14856	1.2
239.18015	0.8
241.19534	2.2
243.13658	0.8
243.21060	6.6
245.15489	1.0
245.22594	3.9
247.13307	2.7
249.14893	2.4
255.21187	2.4
255.23720	0.6
257.15271	0.7
257.18857	0.6
257.22617	4.8
259.16928	1.7
259.24255	2.0
261.14899	1.5
263.16507	2.4
269.22742	3.4
271.24228	2.3
273.18460	0.7
275.16531	1.6
277.17902	3.8
283.24200	6.0
285.18567	1.4
285.25775	2.7
289.17871	1.4
291.19492	5.1
297.25714	6.8
303.19586	14.5
305.21030	1.5
311.27356	14.9
313.28696	1.4
317.21030	2.6
319.22708	1.6
323.27438	0.8
331.22723	1.4
339.26816	1.0
348.75937	0.6
359.25690	1.4
367.29947	1.4
371.25861	3.0
383.29639	1.0
385.27524	2.0
387.28976	0.9
422.70337	0.6
423.32370	2.0
441.33646	100.0
442.34048	3.0
459.28647	0.7
459.34723	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	459.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01886	4.3
55.05271	1.1
55.05518	16.8
57.03433	3.6
57.07075	1.4
59.04989	0.7
65.03934	2.0
67.05508	22.2
69.03420	4.0
69.07071	6.6
69.17848	5.0
69.18262	1.9
71.04993	2.4
73.49532	0.6
77.03917	0.9
79.05497	27.4
81.03423	43.6
81.07060	20.7
83.04980	5.9
83.08620	12.5
85.02905	1.2
85.06519	1.1
91.05483	28.9
93.07043	14.5
95.04976	16.6
95.08614	10.4
97.02886	1.2
97.06521	3.9
97.10180	10.4
99.08138	1.1
103.05460	1.4
105.03399	3.1
105.07043	17.8
107.04951	10.1
107.08608	8.8
109.02880	1.6
109.06532	4.9
109.10166	5.9
111.04512	1.0
111.08077	6.2
115.05468	3.5
117.07027	7.5
119.04958	0.9
119.08587	13.0
121.06517	6.3
121.10130	5.3
123.04452	1.7
123.08064	4.1
123.11737	1.0
125.05983	0.9
125.09631	8.0
128.06236	1.6
129.07010	12.1
131.04933	2.7
131.08569	11.3
133.06490	6.2
133.10136	9.8
135.08069	3.4
135.11720	1.5
137.06020	1.0
137.09645	2.3
141.07040	3.5
142.07782	1.9
143.08595	4.8
144.05760	1.1
145.06496	13.6
145.10120	4.3
147.04448	1.7
147.08055	5.6
147.11693	7.2
149.06029	0.8
149.09644	3.6
153.09109	2.4
155.08543	4.2
157.06491	2.7
157.10156	10.3
159.08084	3.7
159.11725	1.5
161.05957	1.7
161.09650	2.5
163.07578	0.9
163.11201	2.6
165.09149	3.6
165.12741	1.8
167.08601	2.0
169.06514	1.2
169.10143	3.1
171.08060	4.7
171.10274	1.1
171.11699	2.5
173.09612	3.2
173.13222	0.8
175.11211	7.2
177.12804	0.7
181.06529	1.1
181.10156	2.4
182.10970	0.8
183.08133	1.3
183.11700	0.9
185.09666	2.3
185.13177	1.3
187.11249	1.0
187.14894	1.1
189.11227	3.9
189.12688	1.5
193.10417	1.4
193.12238	24.9
195.08098	1.1
195.11748	3.0
197.09639	1.6
197.13289	3.0
199.11211	2.8
199.14784	0.7
201.12766	1.2
203.14264	1.0
205.12286	1.0
209.13321	1.0
211.11241	1.7
211.13127	1.3
213.12755	2.2
215.14308	3.1
217.12239	1.2
223.11217	0.8
225.12830	1.3
227.14444	0.9
231.13843	1.5
233.15361	2.7
235.11292	0.7
237.12769	2.6
239.14345	1.5
249.14944	3.3
251.14471	1.1
255.13882	2.9
259.13257	1.1
267.15848	1.6
269.15350	0.9
273.14856	8.9
287.16431	0.9
321.22137	0.9
323.20135	0.8
331.20474	1.1
339.23190	3.0
347.28412	0.8
349.21613	9.2
357.24188	2.1
367.19119	0.4
367.22672	23.2
385.23782	25.4
403.24878	7.1
405.24673	1.4
423.25568	1.4
441.26468	6.8
459.27441	100.0
460.27951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	0.8
67.72617	0.6
69.03418	0.9
69.07041	0.7
71.56572	0.7
71.56956	0.9
81.03410	1.2
82.44608	0.7
85.02909	0.8
91.05476	0.9
95.04945	1.0
95.08649	0.7
98.97547	1.0
105.06995	0.8
107.04947	0.7
112.41158	0.8
121.02895	1.0
121.10143	1.1
131.04935	1.4
137.09532	0.7
139.95860	0.6
153.03250	0.6
163.11186	0.7
165.01872	2.3
203.06763	1.0
217.04771	3.2
231.05934	0.6
232.07086	35.6
233.07826	2.1
249.07317	0.8
309.07626	7.5
335.09219	2.3
339.08615	6.5
349.10477	0.9
363.08615	3.5
367.45667	0.8
385.14621	1.0
387.08841	1.3
393.09659	1.9
405.09634	2.1
411.14276	0.8
423.10736	1.4
428.14090	1.1
429.15555	0.9
441.12070	2.0
459.16315	100.0
460.16577	2.7
481.24075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16639	4.1
53.03933	7.6
55.01853	8.2
55.05280	4.1
55.05517	62.0
57.03429	8.7
67.05180	5.6
67.05508	59.2
68.07079	4.0
69.03421	5.5
69.07070	22.3
70.93234	8.2
70.93578	3.7
71.04981	4.2
76.61262	3.8
79.05496	48.3
81.03410	5.9
81.07056	52.4
83.04989	12.8
83.08627	37.0
85.06544	4.8
91.05488	46.1
93.07051	29.7
95.04957	10.8
95.08607	28.7
97.06508	4.4
97.10183	58.4
103.05478	22.6
105.07024	36.9
107.04942	8.0
107.08600	30.3
109.10165	13.4
111.04380	4.0
111.08078	4.6
115.05444	10.8
117.07020	53.3
119.04940	4.4
119.08578	25.4
121.06464	7.4
121.10147	15.7
121.96867	3.6
123.11662	4.3
125.09634	45.4
128.06224	6.9
129.06990	29.4
131.04895	9.3
131.08563	44.9
132.78412	3.5
133.06491	9.7
133.10121	12.7
135.08052	11.6
135.11699	10.6
137.09636	5.9
141.06972	9.1
143.08597	18.9
145.06482	15.4
145.10097	14.5
147.08116	6.5
147.11650	8.4
149.09595	6.6
155.08571	16.6
157.06496	3.8
157.10130	8.7
159.08043	10.0
161.13228	5.9
165.09113	4.4
167.08534	7.3
169.10091	13.3
171.11650	7.4
181.24617	3.6
183.08047	4.3
185.13293	6.2
187.14822	11.5
189.11211	30.2
195.11630	4.5
197.13336	19.4
213.12782	4.7
215.14337	92.7
217.19447	8.2
227.12729	33.4
235.20537	13.4
241.12209	4.6
253.21623	12.0
271.16898	5.7
339.23407	5.4
349.21555	14.9
367.22714	43.4
385.23611	21.3
403.24698	10.6
441.26370	69.6
443.97055	3.8
459.27390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01874	5.0
55.05513	16.4
57.03439	4.3
64.60554	0.5
65.03939	1.7
67.05508	20.8
69.03439	2.8
69.07065	5.6
70.13046	2.2
71.04980	2.1
79.05495	24.5
81.03420	56.8
81.07057	18.9
83.04977	4.6
83.08620	13.8
84.35848	0.5
85.02882	0.7
85.06539	2.1
91.05484	24.0
93.06477	1.0
93.07048	14.6
95.04973	20.9
95.08604	7.9
97.02900	2.3
97.06551	3.1
97.10173	10.0
98.21389	0.8
103.05459	1.2
105.03396	1.4
105.04536	0.8
105.07034	17.2
107.04958	9.8
107.08600	9.5
109.02897	0.8
109.06516	4.3
109.10151	5.1
111.04455	1.3
111.08086	7.0
114.53133	0.6
115.05468	2.4
116.06258	0.7
117.07016	7.7
119.04955	1.7
119.06031	0.5
119.08588	13.8
121.06494	7.5
121.10160	5.5
123.04462	1.6
123.08097	3.0
123.11716	0.8
125.05994	0.6
125.09630	7.1
128.06223	1.5
129.07013	11.0
131.04921	4.3
131.08571	11.5
133.06505	5.3
133.10118	5.4
135.08058	4.0
135.11716	1.6
137.05995	1.1
137.09612	2.4
139.07549	0.6
141.06979	2.8
142.07790	2.1
143.04990	0.7
143.08557	5.1
144.05725	1.1
145.06485	17.9
145.10153	4.9
147.04404	1.4
147.08043	4.9
147.11700	5.8
149.06055	0.7
149.09631	4.5
151.07550	0.8
151.11101	0.8
153.06967	1.0
153.09116	1.1
155.08565	3.7
156.46336	0.6
157.06480	4.0
157.10127	8.6
159.04510	0.7
159.08057	3.5
159.11690	2.2
161.05991	2.6
161.09648	2.2
163.11177	1.4
165.07043	0.9
165.09119	5.3
165.12747	0.9
167.08565	1.8
169.06480	1.5
169.10135	2.8
171.08046	3.7
171.10309	1.1
171.11722	2.9
173.09636	1.2
173.13239	1.2
175.07582	0.8
175.11165	7.9
177.09093	0.7
177.12698	0.7
181.06570	0.7
181.10136	2.1
182.10866	0.8
183.08060	1.2
183.11694	1.9
183.21915	0.6
184.08748	0.8
185.09633	2.2
185.13261	2.5
187.11182	1.4
187.14838	1.2
189.09435	0.7
189.11229	3.8
189.12802	1.4
193.12244	32.3
195.08125	1.5
195.11607	2.8
197.09575	1.5
197.13261	2.3
199.11235	2.2
203.14336	1.0
205.12206	1.2
209.09610	0.7
209.13287	1.7
211.11230	2.1
211.14857	0.8
213.12784	2.5
215.14313	2.2
217.12218	1.0
219.13817	0.9
221.13319	0.7
223.11183	1.3
225.12755	1.5
227.14401	2.2
229.15976	0.6
231.13867	2.2
233.15379	2.0
235.11238	0.8
237.12793	2.5
239.14330	1.3
241.12079	0.9
243.13963	0.9
247.13197	0.8
249.14909	3.8
255.13831	4.8
257.15399	1.4
259.13303	0.8
271.16812	0.7
273.14880	11.3
287.16501	1.8
299.16312	0.7
311.16354	0.8
321.22144	1.1
323.20322	0.7
326.24377	0.7
331.20663	1.0
339.23203	4.3
341.21207	0.8
349.21655	10.1
349.25787	1.0
357.24127	3.3
367.22702	29.0
375.25650	0.9
385.23730	26.3
403.24677	6.9
405.24286	2.4
423.25519	1.2
441.26440	5.2
459.27457	100.0
460.27646	1.4
480.08969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.9
57.03436	1.8
61.77132	2.0
66.61187	1.8
69.03430	9.6
69.48035	9.2
69.48448	3.5
71.60810	1.9
73.02910	2.9
85.02901	16.0
97.02898	6.4
98.21461	4.5
98.97586	84.4
99.98502	2.0
109.02883	2.2
110.97581	19.9
112.89613	1.9
114.89351	17.4
116.89133	48.3
116.98622	22.6
127.03894	8.0
128.84846	2.1
128.98598	10.2
132.42517	2.0
134.99648	1.9
143.00172	3.2
143.01907	5.9
145.04947	6.8
146.99625	3.9
155.02017	2.1
158.99669	67.2
161.03090	2.2
170.99713	17.3
173.02896	4.6
173.55911	1.9
177.00720	38.2
183.04977	4.2
185.03003	4.6
189.00720	21.6
192.05547	6.1
197.03027	2.7
201.00662	4.2
203.04005	5.9
207.01729	9.0
214.11139	2.1
219.01752	28.6
227.04100	2.2
231.01768	3.9
237.02829	26.1
245.05003	12.4
249.02905	11.2
255.03844	16.0
256.06662	1.9
263.06204	4.4
264.07895	4.6
273.08206	10.0
279.03891	100.0
297.04950	18.1
309.04913	10.5
333.14075	1.8
339.05984	12.1
365.09265	3.8
399.08194	4.4
425.10931	2.7
454.77478	2.5
459.12067	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	459.103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.1
70.01366	1.1
70.01775	2.4
75.13322	0.7
84.96026	2.5
98.97591	73.1
110.97581	7.7
112.89616	7.5
112.99145	1.8
114.89352	8.0
116.89127	5.4
116.98627	20.6
124.99117	4.3
128.34038	0.8
128.98613	7.0
131.00209	1.3
134.99635	3.9
138.15379	0.6
140.98561	3.3
143.00194	8.3
144.98006	0.8
146.99634	2.7
158.99667	47.8
161.01259	3.3
170.99687	7.1
177.00728	32.4
179.02390	0.8
189.00740	9.7
195.01823	1.2
200.02432	1.0
201.00781	1.1
207.01767	4.2
212.84271	0.7
219.01758	28.5
237.02844	72.0
249.02829	4.0
255.03908	44.5
260.04468	1.7
279.03897	100.0
291.03937	1.0
296.94873	0.9
297.04956	39.2
309.04932	3.1
320.06674	1.8
339.06073	8.9
399.08109	9.4
447.33530	0.8
459.10263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3315
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
52.01694	4.7
53.03925	8.9
55.05502	18.2
57.07065	5.7
63.05433	3.5
67.05515	38.0
69.07072	38.5
71.08631	7.2
71.13719	8.1
79.05491	22.8
81.07061	70.2
83.04975	4.8
83.08610	16.3
85.06509	7.1
89.06018	6.6
91.05466	17.3
93.07042	55.6
95.04952	6.3
95.08615	100.0
97.10162	8.6
101.03342	4.0
105.07038	22.8
107.08604	51.0
109.06568	6.4
109.10157	81.9
111.94769	3.9
119.08588	44.0
121.06528	4.5
121.09325	7.3
121.10147	98.3
123.08068	7.0
123.11703	40.5
125.09565	5.9
131.08533	14.3
133.10132	38.3
135.08035	11.2
135.11684	27.4
137.09602	7.5
137.13254	6.6
139.11168	18.1
143.08530	9.8
145.10124	22.3
147.08105	4.7
147.11661	16.2
149.09573	7.0
149.13232	16.3
151.14806	7.7
157.10147	7.8
159.11658	23.0
161.13266	18.8
163.11197	7.4
163.14796	7.1
165.09111	6.3
169.10086	5.6
171.11667	11.5
173.13263	23.6
175.14835	10.2
177.12779	7.9
179.07014	13.8
183.11719	5.1
185.13208	9.0
187.11208	5.0
187.14828	17.6
189.12723	6.1
189.16309	13.4
197.13210	6.5
199.14871	10.5
201.16443	5.6
203.18019	5.2
211.14847	4.6
213.16331	9.7
227.17912	6.5
229.19467	8.1
237.16338	5.9
240.79346	4.5
253.19197	4.2
255.17709	4.4
255.21011	7.8
257.22647	13.1
267.21069	8.0
269.22668	6.4
271.20615	6.5
281.22549	6.7
283.24390	5.7
299.20169	7.1
299.23602	10.5
301.21521	5.5
315.18130	9.6
317.21039	19.6
317.24500	5.9
319.22739	7.3
331.22614	7.9
377.31955	16.8
393.31531	17.5
395.33148	36.4
411.32635	8.7
413.33911	5.3
415.32214	8.3
421.31012	20.9
439.32034	62.1
457.23196	10.1
457.32608	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	458.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41150	0.5
54.15082	0.5
54.98867	0.5
56.75443	0.5
56.96572	0.8
57.03454	0.6
59.69056	0.5
61.02922	0.6
67.05493	0.5
69.03439	0.7
69.88102	1.4
69.88506	0.7
70.06554	0.6
73.02912	0.4
74.15224	0.5
74.90182	0.4
75.32590	0.5
79.05488	1.2
85.02916	3.8
85.06561	0.6
91.05488	0.7
93.07056	1.0
96.04501	0.6
97.02892	0.9
98.97584	2.2
103.05464	6.1
107.04945	1.6
110.06036	1.0
113.06010	0.8
116.98669	0.5
120.08109	100.0
121.08470	0.7
122.06032	2.4
127.03875	1.0
131.04958	2.3
131.07022	1.0
136.06151	1.1
136.07590	4.2
138.05507	0.8
140.01659	1.7
145.04910	0.9
147.04405	0.9
149.05981	2.0
158.99702	0.6
161.01129	0.6
161.07088	0.5
164.07079	3.1
166.08649	57.2
167.08987	0.5
175.03998	0.8
182.08194	1.4
195.05952	1.2
195.52271	0.5
207.07709	0.7
219.01712	0.7
229.06496	0.6
232.09695	2.0
237.02835	1.2
241.06451	3.0
255.11316	0.6
256.09689	1.0
257.04752	0.5
259.07516	4.4
278.10278	3.4
296.11456	0.8
301.11880	1.2
302.10272	2.1
319.12790	1.5
323.10159	0.6
440.15131	1.7
458.16251	2.3
479.01581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1503
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
50.84088	0.3
67.05493	0.6
69.03433	0.8
71.00690	0.5
72.63695	0.3
81.07058	1.0
83.04980	0.3
84.08135	1.1
85.02914	0.7
86.09718	0.6
91.03587	0.3
91.05428	0.4
93.07023	0.3
95.04974	0.6
105.07034	0.4
107.08581	0.3
109.06527	2.1
109.10152	0.7
119.08538	0.4
123.04454	0.9
123.11687	0.8
130.08633	1.1
144.99312	5.7
147.04416	0.3
151.11255	0.3
173.07898	0.4
173.09389	8.5
185.04236	4.0
203.05341	1.7
213.71129	0.3
225.01598	0.3
227.81409	0.3
277.17780	4.1
279.19324	3.1
295.09775	23.8
295.20239	0.8
296.10074	0.3
307.01074	0.6
307.04593	10.5
446.79120	0.3
457.14951	100.0
457.24066	26.2
458.15192	2.4
473.37750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.22
Annotation	berkeleydione
Peak:m/z	Relative Intensity
56.96568	6.5
67.05495	1.1
69.03422	1.4
69.51991	5.4
71.04984	0.9
81.07078	1.9
85.90613	0.8
91.05480	3.6
93.07030	1.0
98.97581	3.9
105.07053	2.2
106.37841	0.9
107.04971	1.1
107.08583	1.7
109.10179	1.1
110.97601	1.0
112.11658	0.8
115.00678	1.6
116.98613	1.2
119.04946	2.3
119.08545	0.9
120.05268	1.3
121.10134	2.1
123.08063	0.9
127.03947	2.7
133.10144	2.4
135.07922	1.0
140.80124	1.0
143.03781	1.5
147.04416	9.1
147.11681	1.2
148.04773	4.5
151.11171	2.5
158.18596	0.9
161.04871	2.1
161.09610	1.2
167.89281	0.9
170.08333	0.9
173.13269	1.0
185.04903	1.0
191.14320	4.7
209.08565	1.3
209.15341	4.5
219.01753	1.2
227.09528	2.2
277.14761	10.4
279.16434	4.4
285.41272	0.9
295.15842	7.8
313.16837	1.5
334.35330	0.9
337.16794	1.8
457.21857	100.0
458.22079	1.2
484.57025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.9
55.05524	0.8
67.05519	1.5
69.03435	4.0
69.07090	0.7
69.52000	1.2
69.52404	3.4
70.06596	1.9
71.05004	1.5
72.93812	0.8
79.05492	1.5
80.49615	0.7
81.03441	2.2
81.07097	1.2
83.71478	0.7
85.02898	6.3
85.06530	1.1
91.05511	2.1
93.07074	2.0
95.04990	2.1
95.08620	1.9
97.02886	4.1
98.21488	1.4
98.97631	2.2
99.04462	1.6
105.03387	1.2
105.07038	1.7
107.04992	3.0
107.08611	1.2
109.02895	1.5
109.06569	1.0
109.10185	1.2
111.04288	0.8
116.07114	1.7
116.98627	0.9
119.04975	1.5
119.08685	0.8
121.02858	6.3
121.06571	1.1
123.04436	1.2
127.03959	3.0
131.04991	1.0
135.08162	0.9
137.05984	10.6
137.64207	0.7
139.03949	1.7
145.05000	1.1
147.04411	4.2
149.13364	0.7
153.01828	13.0
153.02966	0.8
163.03893	1.1
177.05441	3.6
178.05884	1.3
179.07066	5.8
191.14380	0.9
192.04126	0.9
201.03787	2.2
203.05376	3.4
217.05093	3.0
233.08264	1.0
235.06021	5.5
259.16904	0.8
271.79749	0.7
277.07239	2.4
277.17792	5.6
279.19354	11.4
283.08224	0.8
295.08139	25.9
337.07544	1.2
399.12775	1.2
443.53442	0.9
457.24292	100.0
458.24731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71563	0.2
51.71593	0.3
53.03958	0.3
57.03440	0.5
58.43261	0.2
67.01881	0.3
68.99796	0.7
69.03422	0.6
71.32784	0.2
71.50071	0.2
71.54308	0.3
79.05490	0.7
81.03402	0.3
81.07030	0.3
83.04983	1.5
85.02429	0.3
85.02908	3.1
91.05490	1.2
94.15692	0.2
95.04966	0.5
97.02838	0.3
98.97580	0.2
105.03387	2.2
107.04951	1.0
107.82449	0.2
109.02893	0.6
111.00822	0.4
119.04961	0.3
121.02908	0.3
123.04444	0.5
125.05987	0.7
127.03940	0.5
130.78723	0.2
136.07613	0.3
136.25294	0.2
143.07027	2.6
147.04448	1.1
150.64426	0.2
151.03839	0.3
153.01831	66.6
154.02162	0.5
161.05956	0.6
163.03914	1.1
165.01799	0.3
165.05518	0.3
169.04974	1.0
170.99689	0.2
175.03909	0.8
175.07591	0.2
189.05450	2.4
192.04155	3.4
193.04994	2.4
200.04704	1.3
203.03445	0.3
203.07001	1.2
211.06264	0.5
213.05597	1.1
217.04962	14.7
218.05782	2.7
231.06543	4.2
233.08095	3.8
235.06015	25.9
255.10889	0.3
259.06012	1.4
277.07083	14.4
278.07474	0.3
295.08133	100.0
296.08545	0.6
457.12628	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	456.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69364	1.7
53.03944	5.5
55.05506	5.5
56.96558	2.7
57.03435	7.0
57.07068	2.1
67.05491	6.1
69.03432	16.6
69.07052	2.0
69.60171	11.6
71.01335	1.9
71.04993	1.7
72.98048	1.7
73.02919	7.0
75.04479	6.8
76.26917	1.8
79.05499	20.1
81.03418	15.0
81.07053	9.3
83.05012	2.7
84.79056	1.6
85.02918	17.4
91.05491	18.8
93.07047	100.0
95.04971	7.3
95.08601	7.1
97.02900	13.5
97.06516	3.9
98.97591	4.8
99.04450	3.6
103.98138	1.9
105.07028	11.2
107.04952	6.2
107.08593	19.9
109.02893	7.9
109.10166	4.0
111.08100	7.0
115.03983	4.7
115.04799	1.8
117.07011	3.2
119.08588	25.6
121.02906	2.2
121.06465	3.4
121.10152	94.1
123.04465	20.0
123.08069	2.4
123.11731	2.4
125.09640	3.5
127.03948	8.6
128.49055	1.7
130.04970	2.0
131.04961	2.4
131.08569	6.3
133.04942	4.1
135.08080	2.7
135.11705	5.2
137.09622	2.5
139.11166	8.6
145.02827	3.2
145.04999	6.0
146.03177	2.2
147.04398	12.1
149.05980	3.6
149.09621	14.3
161.06007	5.9
163.06313	1.8
163.07547	13.3
167.10716	27.1
171.08028	2.1
175.07466	3.6
177.05452	7.2
178.05832	4.2
180.81662	1.7
187.07596	2.9
203.07059	6.4
203.10764	4.1
237.02776	2.1
241.12149	3.4
259.13306	18.2
293.13828	7.2
294.14316	2.0
311.14795	13.0
331.08057	2.0
332.08292	2.9
370.53537	2.3
385.16290	3.7
403.17310	4.5
438.20270	3.1
456.13998	9.0
456.22067	10.9
457.19943	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	457.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72960	3.0
53.03952	4.0
55.01878	7.2
56.96568	20.6
57.03431	11.2
57.79933	2.7
61.02924	10.6
65.16063	2.9
69.03434	45.5
69.55966	16.8
70.06600	2.9
71.01353	2.4
71.04985	7.0
73.02925	16.1
78.21399	2.4
81.03436	14.7
84.96065	5.5
85.02910	100.0
86.03244	4.7
87.04467	7.6
91.03957	5.0
91.05518	2.6
95.04928	3.7
97.02903	39.6
98.20854	5.0
98.97584	71.0
99.04477	4.3
99.97956	2.1
101.00897	11.5
103.00639	4.3
104.10746	3.7
107.04963	10.8
109.02892	9.3
110.97549	14.5
112.99128	7.0
113.00891	2.1
114.95298	2.7
115.02416	4.7
115.03940	3.4
116.07088	3.2
116.98653	23.4
119.01923	19.3
121.01660	3.2
123.04437	3.6
127.02468	3.2
127.03925	46.1
128.02335	3.1
128.04303	2.3
128.07121	5.5
128.98628	19.8
129.07458	3.9
131.00192	7.5
131.01910	8.2
132.02527	2.6
132.95848	2.9
133.02769	5.4
133.03596	3.8
134.99704	3.3
136.07597	4.6
137.05986	4.5
137.11191	2.7
139.02428	2.8
139.03981	3.3
140.02374	2.8
140.98520	2.8
143.00188	6.4
143.01881	19.0
144.95827	3.7
145.01682	5.9
145.03484	10.1
145.04961	31.5
146.99666	11.8
147.01418	3.9
147.03117	4.1
152.02325	3.1
153.05449	3.6
155.01846	15.2
156.01999	3.0
156.98155	3.3
157.03508	8.9
158.99695	17.6
159.03389	3.1
159.04991	3.8
161.01207	6.0
161.02965	25.1
163.02711	6.1
163.04398	4.6
163.05937	3.2
165.00693	6.4
166.01340	3.1
167.02005	4.8
168.03656	3.1
169.01752	4.2
169.03401	7.2
170.99675	7.6
171.01477	3.4
171.03102	3.0
173.01282	8.7
173.02992	19.0
173.04735	2.7
174.04420	3.5
174.99147	4.7
175.02760	4.7
175.04454	5.2
176.03412	3.7
177.00792	13.6
177.02142	2.6
177.04190	8.6
179.02220	9.2
182.03398	3.8
182.99556	4.6
183.05003	8.3
185.01346	5.6
185.02971	14.3
185.06360	2.7
186.96918	2.9
187.02783	9.9
187.04581	13.7
189.00726	16.4
189.03136	3.8
189.04559	3.5
191.02321	5.6
191.03954	8.9
192.05513	10.6
197.03049	10.4
198.96959	3.2
199.02728	3.2
199.04529	4.7
200.04442	4.9
201.00760	8.1
201.05981	3.7
202.98665	3.2
203.04053	15.9
205.00258	7.8
205.03851	9.0
205.05624	3.1
207.01756	5.4
209.03215	5.9
215.03989	3.6
216.97980	4.3
217.00177	3.3
217.05646	5.0
219.01785	30.9
219.03587	3.4
219.05281	4.3
219.07188	3.1
220.06854	3.6
221.05115	10.7
223.01187	5.1
223.04790	4.8
227.04080	5.3
229.03874	6.4
231.03555	7.4
233.05135	3.8
234.99088	6.3
235.07243	2.8
236.97237	2.6
237.02785	26.7
239.04036	4.7
241.05649	4.8
242.07915	3.2
245.05087	37.1
246.05286	5.6
247.01262	5.9
247.04807	12.9
248.05351	3.1
249.02625	3.9
249.06525	9.3
250.07576	3.5
251.04433	7.1
255.03668	6.0
255.07080	5.0
257.05475	3.0
258.06805	16.7
258.38528	3.0
259.07074	5.3
261.02808	7.6
263.06064	7.2
264.07639	13.8
265.05667	4.7
269.05640	3.7
273.08301	20.8
275.06110	5.1
276.99792	16.6
277.02567	5.0
277.05411	6.8
277.07736	9.5
279.03983	6.4
281.07352	4.8
283.06757	4.8
286.05157	3.7
291.03903	4.7
291.09296	4.7
293.05219	3.5
294.05917	2.9
295.06873	5.8
297.08301	3.5
305.01868	7.0
305.07135	3.5
307.08829	8.5
309.04971	4.5
309.08368	2.8
313.07550	4.1
321.05029	3.6
321.10217	3.8
323.03067	2.9
323.06485	9.5
323.10260	6.7
333.01331	3.2
337.06055	3.8
338.08801	3.4
339.05817	5.3
339.09561	12.8
341.07678	3.7
342.64362	2.7
345.09531	4.7
347.02853	2.9
347.07516	2.7
365.03952	8.7
365.09393	10.3
367.08954	28.6
371.08438	5.0
385.08847	3.2
395.08524	2.7
397.09903	6.3
415.10730	7.9
425.11359	7.4
457.12131	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
65.03925	0.9
69.03416	0.9
71.38290	0.3
79.05520	0.2
81.03426	0.7
84.96043	0.2
85.02901	0.8
91.05482	11.4
93.07047	0.2
95.04993	0.1
97.02898	0.6
98.97578	0.3
107.04919	0.1
107.08544	0.2
109.02872	0.5
117.03416	0.2
119.04944	22.4
120.05259	0.2
127.03106	0.2
127.03904	1.0
131.04868	0.4
137.05991	0.3
145.02884	0.3
145.04990	0.5
146.06071	0.2
147.04411	100.0
148.04773	0.7
151.07539	0.3
157.94577	0.2
165.05493	1.1
177.05511	0.5
178.05779	0.4
263.09250	0.3
281.10236	0.3
291.08557	0.9
309.09674	4.5
353.29886	0.2
447.10199	0.1
456.13574	0.3
456.21075	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44960	0.3
64.56256	0.3
65.03922	0.7
65.84559	0.3
67.08189	0.2
69.03416	1.2
69.59886	1.0
69.60300	1.0
75.20831	0.3
76.06664	0.3
79.05477	0.3
80.93524	0.3
81.03424	2.5
81.86422	0.3
85.02898	1.1
89.03960	0.3
91.05483	7.2
95.85045	0.3
97.02891	0.7
105.07029	0.4
107.08497	0.3
109.02877	0.9
119.04948	16.9
127.03919	0.8
141.51505	0.3
146.03780	0.3
147.04414	100.0
148.04774	1.0
154.77097	0.3
165.05490	4.8
171.07916	0.3
172.56349	0.3
186.61685	0.3
291.05649	0.5
291.08658	3.5
309.09689	9.8
331.13101	0.4
456.18503	0.3
456.23657	0.6
457.21942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01866	0.8
57.03424	1.1
58.06589	0.9
61.02920	0.9
65.88798	0.5
66.04159	0.4
69.03431	4.8
70.06583	0.9
71.04973	0.9
71.54528	0.7
73.02915	0.7
81.03432	2.3
84.08136	0.9
85.02917	7.2
86.09706	0.5
87.04476	0.6
88.03995	3.4
91.05421	0.6
97.02885	3.7
99.04445	0.8
100.07606	0.5
104.51640	0.4
107.04956	1.4
109.02898	2.1
121.02892	3.2
124.07574	1.0
127.03954	2.3
128.07076	1.9
137.05948	1.2
142.08607	0.5
144.04459	1.0
145.04932	0.6
145.06447	0.6
147.04364	0.9
147.08051	0.8
149.05980	0.9
151.03894	0.9
153.01822	1.9
159.08043	0.6
161.05989	2.0
162.05507	5.8
171.08025	0.7
175.07571	4.0
177.05391	0.5
177.09081	1.0
179.07056	0.8
184.05229	1.7
185.05940	1.2
188.09201	0.6
189.09134	1.4
190.04999	6.1
191.07079	1.7
199.07568	4.7
201.09135	4.4
203.07036	11.6
206.11810	1.5
207.10176	1.2
208.13353	1.0
217.05095	0.7
217.08595	5.5
219.10194	2.7
225.97031	0.4
227.07013	2.4
235.05975	1.0
235.09641	2.0
245.08109	2.3
248.12843	16.1
250.14322	0.5
252.12303	1.5
263.09152	1.4
274.41193	0.4
277.07108	0.8
287.11368	0.4
294.13364	100.0
295.08185	4.3
295.13626	1.3
315.13406	0.5
316.08096	2.3
334.09299	0.7
456.12299	4.1
456.18546	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	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26675	0.8
60.42543	0.9
70.53647	2.6
79.45055	0.9
100.37003	0.9
112.89616	12.5
203.04155	0.9
245.05089	2.8
311.11588	0.8
365.86469	0.9
438.40466	1.0
455.11655	100.0
456.11871	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08907	0.6
54.43259	0.6
55.05578	4.5
56.05903	1.2
56.96608	0.6
69.03473	1.1
69.07117	0.7
71.17050	1.1
74.34069	0.5
79.05534	0.5
81.03496	2.3
81.07133	1.8
82.06627	1.2
83.05026	0.9
83.08690	2.1
84.09013	0.7
85.02972	1.9
85.77114	0.5
89.03911	4.9
91.05531	1.4
93.07108	1.0
95.05023	0.8
95.08683	1.1
97.02928	0.7
98.97631	0.9
99.08155	0.9
100.07655	1.0
100.11259	12.0
101.08035	0.7
101.11591	4.4
105.07086	0.7
107.00708	0.5
107.08663	0.7
109.02947	1.0
109.10143	0.8
110.06136	0.6
111.04510	1.8
117.03383	16.7
119.05018	0.6
119.08639	1.2
121.10139	0.7
127.03925	0.7
128.07132	1.1
131.04967	1.5
132.05394	0.6
134.03723	0.9
135.04482	0.8
137.06000	0.9
137.09605	0.7
145.02856	47.5
145.10120	0.8
147.04475	2.3
147.11649	0.8
149.05984	6.2
159.11610	0.6
163.03926	0.9
165.09108	0.9
177.05481	100.0
178.05769	1.0
182.15421	3.2
183.15771	2.5
184.16093	1.0
186.05464	1.3
190.07074	0.5
195.06558	3.9
203.05223	1.2
209.16476	1.9
210.14839	4.3
210.16742	1.3
211.15315	3.6
212.15596	0.9
226.19118	0.8
275.12363	0.8
277.73029	0.6
293.13690	5.5
321.09427	1.8
339.10822	5.4
341.26251	0.7
341.76306	0.7
344.30984	1.3
345.31079	1.0
368.06580	0.6
390.80792	1.9
391.31647	4.7
445.84171	3.1
454.34979	0.7
454.84845	6.0
455.18015	27.9
455.34265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2043
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
55.05489	1.6
56.96558	3.1
57.64031	0.8
63.35272	0.8
67.05492	1.9
69.03423	1.2
69.07072	1.6
70.57327	1.8
71.05005	1.2
79.05474	2.3
80.17414	0.8
81.03416	1.0
81.07041	2.6
84.96033	0.8
85.02906	2.4
91.05485	3.0
93.07037	3.4
95.04957	1.2
95.08569	0.9
97.02865	0.9
98.97599	6.2
100.11213	1.6
105.07018	1.7
107.04958	1.1
107.08587	2.6
116.98627	1.4
119.04946	1.4
119.08567	1.4
121.10159	1.3
126.41403	0.9
127.03912	1.6
128.89223	1.1
131.08521	1.2
133.10133	1.1
135.11671	1.1
147.04398	6.5
153.01935	1.2
158.99675	1.5
160.80002	0.9
177.00763	1.1
177.05458	2.0
182.15590	1.0
184.61143	0.8
216.23808	1.0
223.09976	2.3
241.11174	2.8
265.11169	1.9
275.12613	1.5
275.19989	1.4
285.10120	1.0
293.13873	5.5
293.17212	20.2
303.10532	0.9
440.14487	0.9
455.13095	16.6
455.20859	100.0
456.20728	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22224	0.5
56.96564	1.3
58.44204	0.5
59.92674	0.5
62.32483	0.5
67.05473	1.1
71.05054	1.3
77.10875	0.6
81.03413	0.8
81.07044	1.6
85.02897	0.7
90.23058	0.7
91.05483	1.7
93.07014	1.1
95.08632	0.8
97.82535	0.6
98.97589	2.3
105.07004	0.8
107.08607	1.4
109.02874	1.0
109.10135	0.7
119.04977	0.6
119.08576	0.8
121.10169	0.8
127.96091	0.6
133.10146	0.7
137.09575	0.9
147.04379	1.8
147.11655	0.7
149.09624	0.7
151.03963	0.6
153.01816	1.9
175.11157	0.7
177.05486	1.0
205.04912	0.7
223.10202	0.8
241.11057	0.8
293.13931	4.8
293.17209	69.0
369.85547	0.7
416.98157	0.7
455.22125	100.0
456.22223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
55.05507	4.3
56.96553	5.5
57.03462	3.4
61.02915	3.4
67.05508	17.9
69.07065	8.9
70.84365	7.3
73.02930	3.5
79.05495	7.7
79.32793	2.2
81.03403	2.3
81.07042	11.8
83.08614	3.3
85.02905	5.2
85.06571	2.5
91.05502	5.7
93.07050	5.6
95.08603	7.4
97.02905	3.0
97.06543	2.6
98.97556	2.4
105.07069	6.2
107.08611	6.8
109.10161	6.8
119.08598	5.4
121.10125	4.1
123.08028	2.5
123.11727	3.5
125.09686	2.5
131.08597	3.5
131.49707	2.3
133.10167	3.4
135.11713	3.1
138.32771	2.1
145.10236	3.1
147.11731	3.7
156.47704	2.6
159.07951	2.8
229.07562	2.7
247.13281	2.4
313.22467	2.6
349.16898	5.5
369.26178	7.5
381.19788	5.9
411.27206	52.4
455.26169	100.0
455.32248	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	455.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80761	0.3
51.02386	0.4
53.03947	1.9
55.01860	0.4
56.96583	0.6
69.03426	0.8
69.07054	0.3
71.04976	0.5
71.56637	0.3
77.03896	0.5
79.05495	7.1
81.03420	0.8
81.07059	0.8
82.02948	1.3
83.04987	0.3
83.75526	0.3
85.02894	1.1
91.05476	0.4
93.07040	0.7
93.97115	0.3
95.04958	2.1
95.08592	0.7
97.02893	0.7
97.06550	0.3
98.97583	2.1
100.03965	1.3
103.05499	0.4
105.04525	0.9
105.06992	0.3
107.04958	100.0
108.05298	0.8
109.02892	0.4
109.10183	0.3
110.97591	0.7
116.98653	0.6
117.03386	0.9
119.04983	0.5
127.03876	0.5
128.98607	0.5
135.11670	0.5
137.05934	0.4
138.05281	0.5
141.01166	11.0
145.02826	1.9
145.04973	0.4
147.04411	2.4
149.06003	0.7
158.99718	0.4
162.05449	0.3
169.00685	6.8
174.05507	0.4
177.00806	0.4
177.05443	3.5
178.05952	0.4
179.03786	0.5
187.01730	16.2
192.16177	0.3
196.09436	0.7
219.01811	1.1
221.04681	0.3
221.87300	0.3
232.52740	0.3
237.02803	1.5
285.97278	0.3
293.05920	8.2
293.14627	2.1
323.07938	1.1
338.27377	0.3
341.09088	0.9
342.09775	0.3
455.13028	11.9
455.18954	2.5
455.23154	0.9
464.72076	0.4
476.79559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.1
56.96566	5.1
57.07082	4.6
60.52998	3.4
67.05497	11.9
69.03405	4.5
69.07061	7.5
71.04996	36.1
71.54746	4.5
79.05491	8.1
81.03399	9.1
81.07062	20.1
83.04972	5.5
83.08612	5.4
84.78152	3.0
85.02901	11.0
85.06539	9.4
91.05480	14.8
92.05782	4.8
93.07040	12.0
95.08601	9.8
97.02861	5.9
97.06526	4.5
97.10176	4.6
98.97593	3.7
99.08112	6.3
101.63734	3.4
105.07047	12.1
107.05009	8.6
107.08599	14.8
109.02850	3.9
109.06526	37.3
109.10168	11.4
111.08073	6.7
119.08560	20.6
121.10154	15.6
123.08064	4.7
123.11681	6.8
127.03889	6.3
131.08546	12.9
133.10123	12.0
135.08052	11.9
135.11688	5.8
137.09650	6.6
143.08534	11.2
145.10120	72.2
147.04407	13.6
147.11690	4.9
156.09303	5.4
157.10144	25.6
158.10916	6.9
159.11687	24.3
160.58318	4.0
168.09314	5.8
169.10098	7.2
171.11682	10.0
173.13246	39.4
175.11168	6.7
183.11716	15.4
187.11195	9.7
187.14819	100.0
197.13248	10.9
199.14815	11.1
201.12721	5.8
219.13773	5.5
239.17944	18.0
257.19003	58.7
275.20093	44.1
454.24689	6.4
455.25952	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	454.2931
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
54.16106	0.5
55.05500	1.7
55.41018	0.8
57.03440	3.5
57.07079	20.8
62.06094	23.4
67.05511	4.6
69.07063	3.2
70.79872	1.1
71.08240	0.8
71.08634	14.2
81.07059	6.7
83.08633	4.6
85.10185	9.1
89.06012	1.1
94.22713	0.7
95.08611	7.3
97.10161	2.2
98.98464	4.6
109.10168	3.3
111.91914	0.7
123.11700	0.9
124.01611	1.5
142.02686	1.5
155.01028	6.3
167.88211	0.6
198.05309	1.6
216.06320	3.0
217.55965	0.7
220.18237	0.9
239.23662	1.7
257.24628	0.9
282.27924	11.8
313.27374	100.0
314.27850	0.9
393.23947	6.8
436.28348	4.1
454.29300	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	454.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
54.52887	0.5
55.01863	0.7
55.05519	1.0
55.75255	0.5
56.96552	0.6
57.03453	1.2
61.02914	1.2
62.06094	0.5
67.05506	1.5
69.03438	6.7
69.07069	0.6
70.06586	0.9
71.04996	14.7
71.54536	0.7
73.02920	1.2
79.05478	0.8
81.03421	6.5
83.04990	1.3
84.08165	0.8
85.02912	11.2
89.06034	100.0
90.05556	2.4
91.05463	1.4
95.04970	4.0
95.08625	0.7
97.02893	21.0
97.03529	1.0
97.06527	0.5
98.97562	1.2
99.04460	5.8
101.02432	0.6
105.07004	0.8
107.04943	1.1
109.02880	7.6
109.06538	0.5
111.04395	0.7
113.06030	0.7
117.05486	0.8
123.04453	4.0
127.03922	11.0
127.43483	0.5
132.08430	0.9
135.06534	30.1
137.05994	1.4
139.03915	2.6
140.04274	1.0
141.05492	2.3
145.04965	7.8
147.04420	1.3
159.06549	1.0
163.04008	1.0
163.06186	0.7
165.05614	0.6
167.07068	0.8
177.05524	1.4
179.07010	0.5
184.09726	0.7
193.08678	0.7
197.08104	1.8
202.10832	1.8
211.09615	0.7
215.09213	2.4
217.07144	0.7
219.01785	0.9
220.11806	4.7
243.08643	2.7
261.09760	6.8
279.10760	7.7
280.35056	0.6
292.09082	0.6
307.39206	0.8
328.14163	1.0
407.50189	0.6
454.17139	2.0
455.15448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1735
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
53.03934	0.5
53.89525	0.4
55.05487	0.5
58.47134	0.4
67.05495	0.8
71.04982	0.5
71.38240	0.6
79.05488	0.7
81.07041	1.8
81.82203	0.4
83.01078	0.9
91.05450	0.9
93.07047	0.7
95.01105	2.4
95.08622	1.1
96.01871	0.6
97.02834	0.5
97.06532	0.5
98.97576	0.8
99.04494	0.5
107.08591	0.9
109.10158	1.0
112.01331	1.0
113.02156	2.8
119.04935	0.4
119.08459	0.4
121.02811	0.6
121.10144	0.7
126.02846	0.5
127.03883	0.6
127.11189	0.4
131.04930	0.6
135.11626	0.5
147.04434	2.6
157.04733	0.6
158.99660	0.5
167.02968	0.4
173.05511	0.5
176.04424	1.1
184.07329	1.7
185.04213	4.2
193.04968	0.5
201.03712	1.1
201.05252	1.3
203.05232	1.5
204.07118	0.4
216.07578	12.0
217.08397	0.8
219.06271	1.0
220.10368	0.5
259.07840	1.4
291.12274	0.6
291.19495	0.6
409.18231	1.2
422.15399	1.2
423.16171	0.8
453.17227	100.0
454.17465	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
54.25834	0.8
55.01867	4.0
55.05515	7.9
56.96574	1.3
57.03427	4.7
57.03676	1.1
57.07078	2.0
59.04998	1.5
61.02942	6.2
67.05517	9.5
69.03088	1.4
69.03438	22.3
69.07064	6.8
71.04984	5.3
71.54530	1.1
73.02902	2.1
79.05490	7.6
81.03428	10.0
81.07062	15.9
83.04964	4.0
83.08622	3.4
85.02911	32.2
85.06535	6.9
86.03272	1.2
87.04471	3.4
88.46197	1.1
91.03961	2.4
91.05476	8.7
93.07059	17.6
95.04971	7.4
95.08613	14.0
97.02901	15.6
97.06560	5.8
97.10172	3.5
99.04458	3.7
105.07035	11.6
107.04970	3.0
107.08604	10.3
109.02876	7.9
109.06542	7.9
109.10167	8.5
111.04436	2.7
111.08086	45.4
113.09653	1.1
115.03917	1.5
117.07037	2.9
117.80382	1.1
119.04957	2.6
119.08577	13.6
121.02877	5.5
121.06512	3.7
121.10146	8.3
122.07310	2.2
123.04455	2.0
123.08078	17.5
123.11687	2.6
125.09612	2.9
127.03923	10.3
129.07011	1.6
130.06674	1.1
130.07793	1.3
131.04906	4.1
131.08589	5.6
133.06479	4.1
133.10150	10.8
135.08084	8.4
135.11687	3.9
137.05983	3.2
137.09656	6.8
139.03882	2.2
139.07544	1.7
142.07758	2.2
143.08559	4.0
143.10701	1.7
145.04968	4.4
145.06499	1.8
145.10126	9.4
147.04424	5.6
147.08032	3.0
147.11719	6.9
149.09647	3.5
149.13290	1.4
151.07549	57.5
153.01906	2.3
153.09120	1.1
153.12781	1.7
156.09338	4.6
157.10104	4.2
159.08058	5.6
159.11670	2.5
161.05904	1.3
161.09650	5.4
161.13231	1.8
163.03958	2.9
163.11192	10.0
165.09113	6.0
169.10126	2.8
171.11688	5.1
173.09618	3.4
173.13249	2.3
174.10396	4.8
175.11174	3.4
177.09070	1.6
177.12761	1.2
179.03441	1.6
179.10707	10.3
181.12183	3.8
189.12744	100.0
191.14293	3.8
192.11456	2.1
197.11723	13.8
197.13289	2.2
199.11232	1.8
199.14777	6.5
205.05017	2.3
205.08530	1.5
205.12282	2.8
207.13811	52.1
212.15504	1.2
213.16393	2.1
215.14363	3.0
217.12259	3.8
231.13766	1.3
231.17351	1.6
235.13281	5.2
241.08618	1.1
244.09509	1.8
249.14595	1.1
255.17436	2.4
257.19022	7.6
259.09610	2.0
260.09854	1.8
267.09045	1.9
271.16833	1.6
273.18506	43.7
279.27374	1.1
281.17480	1.7
285.10098	2.1
291.16360	0.9
291.19553	20.1
291.22806	0.8
301.07367	1.1
369.19083	15.3
381.20261	1.5
399.21732	2.4
403.63806	1.1
416.93930	1.2
417.22977	2.5
435.23727	2.2
453.19696	6.2
453.25552	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	453.1394
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
53.03940	1.1
55.01869	1.2
56.96562	2.1
57.03450	1.0
58.05909	0.7
61.02910	1.4
65.03944	1.1
66.32758	0.6
67.05492	1.0
68.99786	1.0
69.03440	3.9
71.54283	1.3
71.54649	1.1
72.08138	1.7
73.02924	0.9
79.05470	0.8
81.03410	2.4
83.04976	1.0
85.02914	12.7
89.06033	0.8
91.05490	1.1
93.03422	0.8
93.07056	0.8
95.04958	1.7
95.08646	0.7
97.02906	5.1
98.69461	0.8
98.97601	1.7
99.04472	1.7
105.03435	0.8
105.07007	0.7
107.04958	1.8
107.08607	0.8
109.02903	2.0
111.04451	2.2
116.98627	0.7
119.04994	5.1
120.06678	0.9
120.08100	6.5
121.02822	1.2
123.04436	60.9
127.03978	3.7
135.04462	2.0
139.03912	100.0
145.04990	1.7
146.99455	0.8
147.04416	15.2
151.03896	4.9
161.05988	4.7
163.03902	8.3
165.05496	16.3
169.04967	1.4
177.05489	1.4
179.07079	2.2
181.04965	2.2
185.01295	0.7
189.05490	1.4
189.08621	0.8
205.04964	1.8
207.06523	5.8
207.09721	1.7
219.01828	1.1
219.15044	3.0
221.05106	1.5
235.06075	1.4
237.00676	0.8
237.02834	0.9
247.06102	1.8
247.14487	1.5
249.07677	1.1
255.01793	2.0
273.02713	1.3
273.07617	3.3
283.08209	1.2
291.08667	32.5
301.09164	1.0
315.12982	1.1
411.06094	1.3
453.13480	5.0
453.19730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05505	3.4
56.96562	2.8
57.03438	26.9
59.05012	5.1
60.04518	1.8
60.08172	6.7
61.02929	5.9
65.03953	1.2
65.69521	1.2
67.05506	14.3
69.03434	87.8
69.07075	6.6
69.99742	1.0
71.04996	14.5
71.07352	2.7
71.54890	1.9
72.65781	1.1
73.02927	7.8
75.04466	2.0
79.05502	6.3
81.03413	7.8
81.07061	21.6
83.04993	3.1
85.02907	83.2
85.06526	1.5
86.09224	2.0
86.09711	26.2
87.04474	57.7
91.03933	2.0
91.05477	8.6
93.07052	10.4
94.07379	1.1
95.04956	2.6
95.08607	5.5
97.02896	70.4
97.06532	13.4
97.10145	1.3
98.06856	3.8
98.97589	6.1
98.98461	2.1
99.04453	4.5
104.10754	50.9
105.07028	7.0
107.08611	9.0
108.08925	1.1
109.02868	4.5
109.06512	2.1
109.10147	3.3
111.04455	1.5
111.08143	1.2
115.03936	87.1
116.98629	2.6
117.07005	1.7
119.04913	1.4
119.08574	3.4
121.02851	1.7
121.06509	2.1
121.10141	4.6
123.04475	1.6
123.11113	0.9
123.11724	9.7
125.00014	13.1
125.06016	1.4
126.82886	1.1
127.03940	16.0
131.04938	1.3
131.08540	2.3
133.04971	100.0
133.10117	3.3
135.04431	2.0
135.08076	1.7
135.11679	2.9
137.06012	1.7
137.09662	1.1
139.11224	1.7
141.12749	4.8
145.04962	23.2
145.10085	2.2
147.04456	4.5
147.08101	1.4
147.11668	2.7
148.04755	2.3
149.09651	2.0
150.07631	14.5
151.03900	1.5
151.07483	1.1
151.11165	3.0
153.12769	1.7
158.99670	2.5
159.11678	1.5
161.02327	1.3
162.02783	1.2
163.03943	2.4
163.06010	4.8
163.07307	1.2
163.11148	2.4
164.04218	2.5
165.12726	1.8
169.05000	2.9
169.12247	1.7
171.11769	1.2
173.02371	1.7
173.13257	1.1
174.02661	2.0
175.11234	1.8
177.00598	1.3
181.12340	1.3
184.07353	45.1
189.12796	1.5
196.76755	1.0
207.13875	2.2
211.05881	1.3
215.06976	3.3
216.07349	1.7
219.09770	1.4
219.13799	3.7
220.10410	2.2
223.05801	1.5
225.07780	1.2
229.10863	1.7
231.13718	1.2
237.14983	1.6
241.07037	2.5
255.15981	1.2
259.07733	2.2
259.09802	4.0
260.10059	12.1
265.13950	1.3
277.09213	3.0
281.15076	1.4
285.17053	1.8
295.10226	3.9
295.15640	1.5
303.18021	2.2
343.89673	1.2
407.86865	1.1
429.78238	1.2
434.22986	3.3
452.14066	2.3
452.24396	19.8
453.20834	1.6
454.80313	1.2
465.21390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54590	1.3
51.84976	1.1
53.03945	1.6
55.01874	2.5
55.05507	3.5
57.03421	3.7
57.07058	1.4
61.02928	2.1
61.49753	1.1
65.70964	1.2
66.59066	1.1
67.05501	5.3
69.03075	1.8
69.03433	20.1
69.07072	12.7
69.71667	5.4
71.04998	17.7
73.02919	1.7
74.09275	1.1
79.05492	8.4
81.03418	10.0
81.07064	19.3
83.04969	1.7
83.08611	2.0
85.02907	33.9
85.06532	1.7
87.08112	18.0
91.05474	5.9
93.07057	15.4
95.04980	8.2
95.08595	5.3
97.02904	19.2
97.06500	2.5
98.97595	1.6
99.04476	3.3
99.08105	5.4
105.07051	8.3
105.09130	3.1
107.04939	2.3
107.08595	11.5
109.02895	7.0
109.06516	9.1
109.10170	10.0
110.97598	1.3
117.07016	1.9
119.04903	1.6
119.08568	5.4
121.02817	1.8
121.10139	13.3
123.04377	2.5
123.08039	1.7
123.11683	5.6
125.09621	4.2
127.03916	19.3
127.07610	1.9
127.10294	2.1
127.11201	30.4
128.05019	1.9
131.08588	2.9
133.08606	9.6
133.10138	17.2
135.11652	6.2
139.11198	3.3
141.05463	2.6
143.10695	8.2
145.04947	13.0
145.10126	12.3
146.06023	19.3
147.04393	3.3
147.11681	3.6
149.09621	3.8
151.09995	1.7
151.11201	34.0
155.10674	13.1
159.11705	2.9
162.05537	2.8
163.06018	2.0
164.04288	1.4
165.12730	1.7
167.10655	4.1
169.12233	1.5
174.05502	16.3
189.21651	1.3
195.85468	1.3
201.16415	5.9
213.11179	2.0
216.07410	1.7
219.17393	4.6
231.12254	2.2
237.18510	100.0
259.09424	2.9
259.11798	4.5
260.09967	4.8
272.14975	1.4
277.12796	5.1
287.05423	4.1
288.05923	14.0
289.05966	9.7
290.06400	15.7
300.08652	7.4
311.14862	2.8
318.09711	1.9
332.20346	1.5
451.74258	1.4
452.16116	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	451.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
53.12629	0.5
55.01864	1.1
55.05508	3.8
56.96550	0.8
57.03430	0.9
57.07073	1.1
65.03925	1.2
67.05506	3.5
69.03428	4.6
69.07069	5.3
69.31900	4.1
71.04984	1.8
79.05482	3.7
79.36149	0.4
81.03416	6.2
81.07056	12.4
83.04976	1.5
83.08623	2.3
85.02917	2.9
85.06541	1.6
88.29966	0.5
91.05478	11.7
93.06486	0.6
93.07047	7.3
95.04957	1.6
95.08606	10.7
97.02893	1.9
97.06534	2.4
97.10174	3.6
98.97638	0.6
99.04461	1.5
103.05453	0.6
105.07031	5.3
107.04961	1.2
107.08595	10.0
109.02874	2.4
109.06509	1.5
109.10154	7.1
111.04428	1.2
111.08076	2.1
111.11752	0.6
117.06986	1.0
119.04941	22.3
119.08594	5.0
121.02889	1.0
121.06531	1.3
121.10141	5.8
123.04436	1.1
123.08048	0.9
123.11686	3.0
125.09619	7.7
127.03916	2.7
129.07060	0.5
131.04921	0.9
131.08569	1.7
133.06473	0.4
133.10124	3.7
135.08054	2.0
135.11693	3.2
137.05988	1.4
137.09616	1.3
137.13187	1.0
139.11179	1.6
143.08545	0.5
143.10617	2.3
145.10077	2.5
147.04411	100.0
147.11713	2.6
148.04764	0.7
149.09628	1.3
149.13254	3.0
151.07507	0.8
151.11230	1.2
157.10130	0.9
159.11731	2.5
161.09685	1.0
161.13234	2.5
163.07542	1.3
163.11206	0.8
163.14865	1.8
165.05513	2.9
165.09079	0.5
171.11653	1.2
173.09625	0.9
173.13304	1.6
175.14798	1.4
177.09196	0.5
177.16376	0.8
179.10706	0.6
179.12192	0.4
179.14351	0.6
181.08672	0.5
181.10190	0.5
185.13306	0.6
187.14793	0.5
189.16466	1.0
191.14166	0.5
191.18088	0.5
193.50607	0.4
199.14853	0.9
201.16422	0.7
203.10481	0.4
215.18025	0.9
217.15926	0.5
219.17323	0.8
233.11751	1.3
249.07727	0.6
251.12920	0.5
259.09705	0.8
271.24146	0.7
287.05493	1.8
287.23712	2.0
288.05798	1.3
289.06036	3.2
289.25253	1.7
291.08673	3.0
309.09641	2.6
359.22067	0.5
379.26093	0.6
397.27307	1.6
415.28433	2.0
433.29672	4.9
451.23434	0.8
451.30518	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	452.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
57.07081	1.8
65.03929	0.5
67.05506	11.3
69.03406	0.8
69.07058	0.5
69.44067	2.4
71.04996	0.4
77.03984	0.3
79.05480	1.7
81.03429	0.6
81.07061	18.0
83.05000	1.8
85.02915	1.7
91.05486	2.3
93.07036	5.6
95.04971	14.3
95.08620	3.1
97.02887	0.7
105.07039	4.9
107.04971	0.4
107.08607	6.7
109.02871	0.4
109.06522	13.9
109.07273	0.7
109.10161	20.5
121.10146	0.6
123.11711	30.2
127.03823	0.4
133.10138	27.1
151.11186	100.0
152.11517	0.9
174.05531	0.5
182.08142	0.6
216.46936	0.3
227.11038	0.6
255.10493	0.5
273.11566	7.4
300.08804	0.4
302.66519	0.4
452.16074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03953	2.0
55.01873	1.1
55.05502	1.3
57.07072	1.0
67.05505	2.7
69.03444	3.4
69.07065	3.8
71.04979	1.1
71.17164	0.7
77.03899	0.5
79.05488	4.0
81.03418	5.6
81.07054	3.0
82.07381	0.4
83.04972	1.2
84.05351	0.4
85.02902	4.1
88.38181	0.4
89.03912	1.0
91.05484	2.3
93.07042	2.1
95.04963	1.6
95.08595	1.8
95.72974	0.5
97.02895	4.9
97.06535	14.4
97.10201	0.7
99.04465	0.8
103.05466	26.2
105.03381	0.8
105.04526	0.7
105.07005	1.3
105.64604	0.4
107.04959	1.2
107.08571	1.3
109.02874	3.0
109.06558	1.0
109.10165	1.3
111.04505	0.7
111.08054	0.4
117.03368	1.9
117.07016	0.5
119.04964	0.4
119.08582	1.0
121.06570	0.5
121.10175	1.2
123.04436	0.5
125.09650	0.7
127.03913	2.1
131.04932	100.0
132.05257	0.7
133.10107	1.0
134.03610	1.2
135.04417	3.4
135.08043	0.9
135.11737	0.8
137.05981	0.9
145.02875	3.5
145.04974	1.2
147.04364	2.0
149.05997	7.4
153.12810	0.5
157.10004	0.5
159.04340	0.7
161.02344	1.4
163.03909	18.6
165.09178	0.6
173.02357	2.9
174.05545	0.4
181.29744	0.4
191.03348	0.5
215.07030	3.8
241.08527	0.6
245.26462	0.4
247.11765	0.4
248.12106	0.6
259.09671	28.1
275.09119	6.7
285.09631	0.5
287.05490	1.2
288.05865	1.2
289.06149	2.1
290.82111	0.4
293.10245	5.1
300.76797	0.5
374.00992	0.4
387.74655	0.5
451.18478	1.8
451.23245	1.8
462.97672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01863	5.8
55.05516	6.0
56.96553	2.1
57.03432	3.5
57.07063	1.2
60.03388	1.3
60.97118	1.4
61.02919	1.2
61.60968	1.0
65.03932	4.4
67.05504	17.1
68.99790	1.5
69.03426	11.5
69.07066	12.5
71.04987	5.1
71.56607	1.0
73.02912	1.4
79.05493	20.7
81.03425	13.0
81.07059	20.5
83.04980	4.3
83.08633	2.8
84.96059	1.6
85.02898	16.4
85.03371	1.3
85.06534	3.1
86.09677	1.3
91.03938	1.6
91.05481	17.2
92.32722	1.1
93.03423	2.2
93.07044	27.0
94.07381	1.1
95.04980	10.1
95.08616	15.5
97.02922	5.7
97.06532	52.3
97.10176	1.6
98.97585	4.2
99.04443	2.3
99.08084	1.7
101.06020	3.6
103.03942	1.9
105.03412	2.9
105.04517	1.6
105.07035	10.6
107.04956	9.1
107.08601	10.5
108.08942	2.0
108.46411	1.1
109.02873	11.0
109.06516	8.8
109.10154	14.9
110.03637	1.3
111.04441	3.1
111.08055	1.6
115.05490	1.6
115.07568	1.9
117.03388	2.8
117.07026	2.6
118.06413	1.1
119.04932	7.6
119.08586	8.0
121.02869	100.0
121.06504	1.4
121.10143	25.0
123.04426	9.0
123.08027	1.8
123.11704	3.8
125.05988	9.6
125.09588	1.9
127.03922	7.9
131.04903	2.8
131.08578	2.9
133.02875	2.3
133.06459	2.3
133.10141	6.7
135.04405	5.2
135.08076	3.7
135.11713	12.1
137.05975	11.0
137.09581	2.6
139.03896	18.5
143.04915	1.7
145.02823	2.9
145.04935	2.1
145.10159	2.3
147.04407	28.8
147.11681	4.2
148.04707	2.0
149.09604	6.1
149.13243	4.4
151.03911	1.3
151.07565	1.9
151.11203	3.6
153.05464	78.9
157.10156	2.9
159.04413	5.0
159.11708	2.4
161.02338	11.7
161.05972	6.3
161.09634	1.2
161.13275	3.8
163.03899	27.3
163.07542	2.2
165.05463	6.2
167.03505	1.7
167.07094	2.7
167.08482	1.4
167.10703	4.5
169.04959	3.1
169.06424	1.4
173.02333	18.1
173.06047	1.6
174.05522	1.4
175.03928	3.5
175.07591	2.5
177.05482	7.6
177.16446	1.8
179.07013	1.4
181.05008	1.3
183.11662	1.4
185.06003	1.3
187.07547	2.4
189.01857	2.4
189.05499	3.1
191.03482	1.7
191.07101	5.6
193.04974	2.4
193.08617	9.4
201.09145	1.4
203.07050	2.5
204.04065	1.2
205.08667	1.6
207.02908	6.0
207.06573	2.4
213.14873	1.3
215.07065	22.2
217.04947	2.3
217.08560	2.0
217.19583	6.1
219.06534	4.2
220.17642	1.2
229.12329	3.1
231.06555	4.2
233.08087	3.9
233.11670	3.8
235.20445	2.3
239.10657	1.3
253.21748	5.4
257.11871	1.8
259.09665	72.8
260.09912	1.4
261.14920	5.2
265.06992	6.1
271.13318	3.8
271.20209	1.7
271.22839	2.7
281.13922	1.4
283.08133	13.4
287.05521	8.6
288.05859	8.2
289.06027	14.5
289.14322	11.7
289.23895	2.3
297.03955	3.3
298.04239	3.3
299.04510	8.8
299.09293	6.2
299.11978	1.3
327.08521	1.6
335.10196	1.5
378.12741	1.3
433.18436	2.3
448.38580	1.1
451.09265	10.6
451.14282	3.7
451.19846	7.8
451.64767	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	451.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29021	2.3
52.47480	2.5
53.54159	2.4
55.01866	2.5
55.05508	3.1
55.13129	2.1
56.96572	14.0
61.89677	1.9
67.05521	5.3
69.03426	4.2
69.07047	7.9
69.66907	10.9
71.04974	3.0
73.06548	3.1
75.06243	2.3
79.05495	7.1
79.80844	2.5
81.03412	3.6
81.07050	8.1
81.61676	2.3
82.07445	2.3
83.04961	2.6
84.96034	11.7
85.02891	4.6
91.05495	6.5
93.07034	6.8
95.08607	6.8
97.02888	2.7
97.06538	31.1
98.97596	63.1
105.07036	4.0
107.08555	3.3
109.02857	4.1
109.10159	4.6
110.97570	22.1
115.62479	2.5
116.22218	2.4
116.98618	18.3
121.02846	7.9
121.10172	2.7
124.99137	3.6
127.03978	2.9
128.98616	15.9
131.00119	3.1
135.04433	4.2
137.06012	5.5
140.98639	3.4
143.00148	9.0
145.02876	2.3
145.10077	3.2
146.99591	4.2
147.04445	11.6
158.99686	5.0
160.23116	2.3
161.02342	7.0
163.03923	17.3
170.99649	6.9
173.02432	12.5
177.00757	7.6
179.76047	2.3
185.01251	4.0
189.00681	3.7
201.00755	8.6
203.02325	4.0
206.02544	3.3
207.05016	2.4
215.07001	21.8
219.01747	35.4
224.03587	9.5
237.02805	46.1
239.05820	5.3
242.04536	2.4
243.01715	3.0
259.09698	48.3
261.03012	6.1
281.06900	5.5
287.05530	4.6
289.06363	9.8
302.04959	3.0
317.07336	3.1
325.69196	2.7
347.08118	3.8
365.08966	19.0
383.10239	39.5
407.10950	10.7
425.11273	9.0
451.10010	100.0
465.47049	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	451.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
69.03420	2.8
70.06119	3.2
71.89771	0.8
73.02912	0.9
81.03440	0.7
82.89408	0.6
85.02918	5.8
97.02922	1.3
98.97594	2.1
115.20824	0.6
119.01801	0.8
127.03927	1.6
131.00299	0.6
143.01938	0.9
145.04921	1.1
158.99678	1.2
164.57468	0.7
177.04167	1.6
203.04129	0.7
207.95438	0.7
219.01775	1.6
245.05008	1.3
249.06337	1.6
258.06686	4.3
260.64630	0.6
264.74820	0.6
339.09012	1.2
391.02679	0.8
451.04935	100.0
451.12073	12.7
452.05368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63610	2.5
55.05512	29.4
57.03424	7.6
57.07079	21.8
67.05244	2.5
67.05511	31.7
68.99779	5.6
69.07072	46.3
71.04982	6.6
71.08630	13.6
71.36639	5.6
79.05486	12.3
81.07062	54.1
83.04974	5.3
83.08624	45.3
83.37373	2.8
85.10184	8.3
87.00838	25.4
88.07632	3.8
91.05470	3.8
93.07066	24.8
95.08617	41.3
97.06522	7.9
97.10181	30.0
99.08077	3.5
101.06087	3.2
105.01840	7.3
105.07056	3.8
105.30199	2.5
107.08615	20.5
109.10162	21.6
109.35863	2.5
111.08061	7.3
111.11698	11.1
115.07577	3.7
116.23797	2.9
121.10169	26.0
123.11671	13.5
125.09579	7.7
135.11745	19.6
137.13194	8.5
138.83635	2.9
139.11205	6.3
147.04451	3.9
149.02348	8.2
149.13228	16.4
153.01810	3.9
153.05466	6.3
153.12711	6.8
159.11720	3.4
163.14828	11.0
167.03415	10.3
167.14346	6.3
177.05516	3.6
177.16344	4.6
181.02409	3.0
190.76193	3.8
193.04945	13.0
215.37650	2.8
216.62917	3.0
219.21107	35.0
228.38307	2.8
237.22122	66.8
255.23206	47.4
278.64023	3.6
279.14172	4.0
284.29440	6.2
287.05505	38.1
288.05869	77.2
295.22638	3.7
296.25815	3.2
323.22177	54.5
329.26907	3.5
341.23224	46.5
359.24271	8.5
389.26852	24.9
397.26016	5.7
415.26910	100.0
450.31598	12.3
463.36841	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
57.73214	0.1
63.41322	0.1
67.01829	0.4
68.99776	0.3
69.42029	0.7
89.03928	0.1
109.02898	0.1
110.17871	0.1
117.03384	0.2
129.01811	0.1
135.04428	1.5
135.13521	0.1
137.02347	0.4
153.01825	4.3
161.02324	0.4
171.02843	0.3
177.17973	0.1
179.03377	0.2
185.05777	0.1
203.03516	0.1
213.05408	0.2
231.06496	0.1
241.04991	0.6
259.05957	0.2
269.04465	0.4
287.05496	100.0
288.05804	1.4
449.10818	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.1
57.07067	1.4
67.01856	1.9
67.05504	7.7
68.99768	0.7
69.03407	1.1
69.07068	5.7
69.30697	5.6
79.05495	2.2
81.07060	8.7
83.08618	5.0
85.06516	0.9
91.03745	0.7
91.05475	1.7
93.07038	2.5
95.08596	10.1
97.10159	2.7
98.20794	1.4
100.72771	0.6
105.07035	1.4
109.10172	3.5
111.11768	1.0
113.00034	1.1
119.08598	1.5
121.10126	1.8
123.04452	0.8
123.11716	1.0
127.03925	8.2
129.06969	0.7
133.10088	1.1
135.04402	1.0
135.11763	1.3
139.03918	1.4
145.10201	0.8
151.03911	2.0
151.07579	1.8
153.01830	49.6
156.05984	0.8
169.02606	2.1
169.05017	1.0
179.03438	1.6
188.47107	0.7
192.04225	3.5
193.05048	1.5
195.29749	0.7
205.04968	5.0
263.23746	1.7
287.05515	47.7
288.05948	1.4
413.26868	3.7
431.27930	100.0
432.28259	2.9
449.31696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.01855	0.5
55.05490	0.6
56.96558	1.5
57.03437	0.9
61.02914	1.1
66.67604	0.4
67.01863	0.9
67.05494	1.3
69.03432	4.8
69.07066	0.6
70.03761	0.5
70.10799	0.5
70.11131	1.4
71.04971	1.3
73.02893	0.5
77.83040	0.4
79.05474	1.6
80.05007	0.9
81.03410	1.8
81.07065	3.0
83.04971	0.7
84.96009	0.7
85.02904	4.5
86.09672	0.4
91.05494	2.7
93.07027	1.3
94.06544	0.4
95.04951	0.7
95.08590	1.5
97.02908	2.6
97.06527	1.0
98.20848	0.8
98.97581	1.0
99.04469	0.5
99.08068	0.4
105.07030	0.9
107.04961	6.4
107.08587	1.0
108.04477	3.2
109.02875	1.2
119.04958	5.4
119.08542	1.0
120.04493	0.4
121.10173	1.0
122.54127	0.4
127.03925	4.0
127.07571	0.8
127.11196	0.7
131.04906	0.8
131.08594	0.4
133.10129	0.5
133.48805	0.4
134.06030	1.0
135.04408	1.5
135.11700	0.6
136.04807	1.0
137.05907	0.5
144.04456	0.8
145.04938	1.0
147.04419	38.4
147.11690	0.4
148.04744	0.8
150.27504	0.4
153.01842	4.2
153.09122	0.4
154.02199	2.3
154.08624	0.9
158.08124	1.4
161.05995	0.7
162.05516	7.6
163.03920	0.7
165.05408	0.6
167.06992	0.7
167.10687	0.5
171.02719	0.5
173.08133	0.5
174.05443	0.6
177.05444	1.0
190.04993	7.5
200.10690	0.5
207.03070	0.5
209.08084	0.9
235.16982	0.8
239.02403	0.4
253.18004	2.0
259.09601	0.8
260.12805	1.5
264.61182	0.4
287.05515	45.0
288.05853	100.0
288.12292	2.8
289.06177	1.2
291.08618	1.7
302.16895	0.5
309.09772	6.7
316.08176	2.5
334.09219	0.6
337.09491	0.4
347.04480	0.6
450.11133	18.0
450.17154	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	448.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09782	0.8
54.04376	0.8
55.05517	1.5
56.96566	1.5
57.07080	8.3
58.06596	2.3
67.05495	3.0
69.07050	1.8
70.06596	16.3
71.08637	1.8
79.05483	1.5
81.07058	2.5
83.08648	1.0
85.02914	1.3
88.07632	19.1
91.05502	2.4
91.40579	0.9
93.07042	1.7
95.08598	1.6
98.21504	2.7
102.09184	17.2
104.02622	1.5
109.10142	1.1
109.58436	0.9
118.94868	0.9
119.04926	2.1
132.02087	6.8
135.11737	0.9
136.01561	6.0
147.04424	19.3
147.05551	2.1
148.05186	2.7
149.02361	1.3
175.03915	42.6
176.04662	2.2
180.04182	9.2
191.07089	3.2
193.04922	1.3
219.06535	76.5
229.04089	1.0
256.26352	45.9
287.05524	26.9
349.36496	1.0
364.34442	1.0
448.30576	100.0
449.30594	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
67.01865	0.4
68.99829	0.3
71.46106	0.2
71.90019	0.1
80.36362	0.1
83.36141	0.1
89.03906	0.2
135.04417	1.1
137.02318	0.3
137.45816	0.1
153.01840	3.2
161.02376	0.4
179.03481	0.2
199.52713	0.2
241.05035	0.4
269.04462	0.3
276.76324	0.1
284.72940	0.1
287.05521	100.0
288.05807	1.6
288.24139	0.2
449.10681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01863	1.4
55.05495	3.9
56.93891	0.8
56.96565	1.1
57.03423	3.3
57.07071	1.0
61.02903	1.2
67.05505	5.1
69.03433	8.6
69.07073	4.7
69.19524	0.9
70.06565	1.3
71.05001	6.3
71.54786	1.5
73.18787	0.9
75.04461	3.3
75.79805	0.9
79.05502	10.9
81.03416	7.5
81.07064	8.2
83.04971	3.0
83.08617	1.9
85.02451	0.9
85.02901	6.8
85.06531	3.6
91.05482	14.1
93.07050	48.9
95.04974	3.8
95.08618	6.2
97.02892	6.4
97.06516	3.7
98.97562	2.8
99.04453	6.1
99.08111	1.3
101.05986	1.0
103.05433	1.2
103.07567	0.9
105.07039	12.9
107.04971	1.7
107.08602	13.8
109.02876	5.5
109.06522	3.0
109.10200	4.4
109.44543	0.8
111.08054	3.5
113.05978	1.4
117.07050	1.4
119.04948	1.5
119.08578	7.0
121.06499	3.8
121.10154	43.7
123.04424	2.6
123.08099	1.6
123.11713	1.8
125.05962	2.4
125.09633	3.7
127.03912	5.0
127.07584	1.3
129.07005	1.1
131.08618	6.2
133.06525	1.1
133.10136	13.5
135.04425	2.1
135.08026	1.8
135.11647	1.4
139.11183	1.6
143.07071	2.1
143.08600	1.7
143.10661	4.0
145.05054	2.3
145.10104	7.3
146.06018	11.7
147.04416	2.5
147.11685	3.5
149.05939	1.1
149.09634	15.2
149.13246	2.4
153.01799	5.3
153.09181	1.3
158.99625	1.3
159.08034	1.4
159.11681	3.0
161.09637	5.0
161.13197	1.3
162.05408	1.2
163.03999	1.2
163.11186	7.1
165.09088	1.1
167.06958	1.0
167.10701	17.8
167.14319	5.7
169.12318	1.3
173.09636	3.6
173.13297	2.4
174.05507	10.7
175.16251	1.0
177.00710	1.0
177.05458	1.7
187.11174	3.3
191.10684	1.3
197.13225	0.9
201.16368	1.3
205.12199	3.6
207.10205	2.1
213.05519	1.0
215.10698	1.9
215.14453	1.0
219.17509	7.3
233.11829	5.8
233.15382	2.7
237.02757	1.0
237.18506	1.1
241.04961	1.3
251.12759	1.6
251.16417	4.3
269.04443	1.6
269.13846	2.0
269.17542	1.7
270.05182	1.8
271.06012	3.2
272.06345	6.4
287.05518	100.0
293.13889	3.6
297.00912	1.4
297.03989	18.0
298.04733	3.6
300.08661	4.2
311.14896	13.0
318.09726	3.6
327.04858	1.6
351.14307	3.6
359.73657	1.1
430.19699	1.0
430.26273	1.2
448.16589	37.1
448.27206	2.1
449.08624	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	449.1082
Annotation	Astragalin
Peak:m/z	Relative Intensity
53.62194	0.2
60.31630	0.2
67.01848	0.4
68.99771	0.4
69.03412	0.3
69.71325	0.9
70.43298	0.2
79.05456	0.1
81.03396	0.2
85.42066	0.2
88.42131	0.2
95.95754	0.2
98.20784	0.2
117.03347	0.2
135.04420	2.0
137.02328	0.6
139.09798	0.2
153.01848	5.2
161.02309	0.4
179.03488	0.3
237.95514	0.2
241.04959	0.5
247.79419	0.2
269.04691	0.4
276.43198	0.2
286.04703	0.3
287.05515	100.0
288.05792	1.4
307.17029	0.2
317.06604	0.3
329.06744	0.2
392.86105	0.2
449.10840	26.2
450.11310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01875	0.3
57.03421	0.4
61.02916	0.9
68.99800	0.5
69.03426	2.1
69.55860	0.2
71.04991	0.2
71.24390	0.6
73.02931	0.3
81.03422	1.2
83.01370	0.3
85.02915	5.9
91.03957	0.3
97.02895	2.2
99.04448	0.3
100.83707	0.2
109.02873	0.8
111.00829	0.5
121.02876	1.3
127.03932	1.3
133.02882	0.4
135.04433	0.5
137.02390	0.6
145.04968	0.8
147.04411	0.6
153.01843	4.3
157.06473	0.3
160.86931	0.2
165.01855	1.1
183.02988	0.5
185.05994	0.6
186.45522	0.2
213.05450	0.8
231.06538	0.5
234.93501	0.2
241.04915	0.7
258.05188	0.8
259.06158	0.4
271.06125	1.5
272.06317	0.9
273.06580	1.5
287.05515	100.0
288.05801	1.4
363.53873	0.3
449.14487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.01851	0.2
56.63201	0.1
68.99792	0.3
69.03395	0.2
69.94193	0.7
85.02892	0.3
96.88698	0.1
98.97558	0.2
105.07018	0.2
106.21790	0.1
109.02932	0.1
115.05394	0.1
121.02894	0.3
123.04462	0.2
137.02345	2.4
139.05496	0.1
143.04970	0.2
147.04420	0.2
149.02347	0.4
153.01743	0.2
157.06520	0.3
161.06009	0.2
163.03893	0.6
165.01828	0.2
175.04010	0.3
175.07558	0.2
185.05969	0.5
189.05495	0.2
193.04744	0.1
203.07037	0.2
213.05478	1.8
216.04333	0.2
231.06505	0.6
241.04951	1.1
242.05803	0.2
242.09465	0.1
259.06119	0.4
265.60315	0.1
269.04440	0.4
287.05502	100.0
288.05814	1.6
358.67953	0.2
392.07925	0.1
449.10788	1.9
449.16077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05502	1.0
56.96551	0.5
57.03426	0.6
58.80035	0.4
67.05492	1.2
69.03432	3.5
69.07059	0.7
69.49799	2.6
71.01360	0.4
71.04984	0.8
73.02907	0.5
73.72634	0.4
79.05489	0.5
81.03429	2.6
81.07043	1.5
85.02903	10.3
85.06543	0.7
87.04384	0.4
91.05512	0.4
93.07027	1.6
95.04951	1.4
95.08627	0.4
97.02895	7.1
97.06503	1.1
99.04488	1.9
99.73264	0.3
105.07027	0.7
107.08577	0.9
109.02865	3.0
113.06020	1.6
119.04921	0.5
121.10115	0.6
127.03905	4.5
128.04959	13.8
131.04855	0.4
135.11676	0.6
137.05994	0.5
141.02252	0.4
146.06009	100.0
147.04391	1.1
147.06320	0.7
156.04463	0.6
169.07545	0.5
174.05508	70.8
175.05817	0.8
181.04865	0.6
200.90794	0.4
272.06332	0.4
287.05496	4.2
300.08664	34.0
301.07193	0.4
302.07465	0.6
318.09726	5.7
364.95795	0.4
448.16006	38.6
449.16238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
56.96565	1.1
59.04990	1.2
69.03425	1.1
71.55607	0.8
78.03448	0.6
79.05504	1.5
81.03403	1.0
85.02894	2.1
86.09710	0.8
89.06020	0.6
93.07040	1.1
95.04985	0.6
97.02898	1.2
98.97581	2.1
103.04954	0.5
103.05490	4.7
107.04951	9.9
109.02903	0.9
111.01613	0.6
112.05089	1.0
116.98641	0.8
118.02666	0.6
120.08106	100.0
121.08635	3.0
124.03944	1.6
127.03926	1.2
131.04895	3.4
149.05975	2.3
154.06042	0.7
158.32655	0.5
163.03929	1.4
163.07336	0.6
166.08643	55.4
219.01814	1.0
224.26976	0.7
237.02768	1.4
250.07091	0.6
268.08234	0.8
287.05444	5.7
448.18646	2.9
449.16422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2744
Annotation	CJ 13103
Peak:m/z	Relative Intensity
53.03958	5.1
55.01873	3.4
55.05265	1.3
55.05514	18.5
56.96560	2.4
57.03447	7.1
57.07071	1.2
61.02918	1.8
65.03940	1.2
67.05510	37.4
69.03432	4.6
69.07069	12.2
71.01354	2.2
71.04984	3.8
73.02897	1.1
73.83158	0.9
79.05499	36.2
80.85909	1.0
81.03423	51.4
81.07064	29.2
82.14024	0.9
83.04980	9.2
83.08621	14.3
83.21378	1.0
85.02894	3.1
85.06544	2.7
91.05490	31.0
93.06480	1.7
93.07050	32.3
95.04980	24.4
95.08616	11.9
97.02898	3.4
97.06528	8.5
97.10177	12.0
98.97592	1.5
99.08103	1.3
103.05487	2.4
103.69859	0.9
105.03397	2.7
105.04551	1.6
105.07047	17.1
107.04970	9.6
107.08605	22.1
109.02890	5.4
109.06518	5.3
109.09500	1.2
109.10147	7.2
111.04433	2.6
111.08101	7.2
115.05451	2.4
117.07028	9.6
119.04938	1.2
119.08588	15.8
121.06503	7.7
121.10147	10.0
123.08075	2.8
123.11674	2.2
125.09626	5.1
127.03934	1.5
128.06259	2.2
129.07025	12.6
131.04942	1.7
131.08575	11.4
133.06485	4.1
133.10161	9.6
135.08083	4.1
135.11708	25.0
137.06003	1.9
137.09642	3.7
139.11169	1.5
139.20049	1.0
141.07011	3.0
142.07784	2.7
143.08572	7.1
145.06483	5.1
145.10133	10.7
147.08047	4.2
147.11684	6.9
149.09642	5.5
151.11206	1.4
155.08592	2.6
157.10141	7.1
159.08052	2.7
159.11746	2.9
161.09634	2.1
163.11179	7.1
165.09135	3.6
165.12796	1.9
169.10153	2.7
171.08044	1.7
171.11690	2.0
173.09691	1.6
173.13342	2.0
175.11208	7.2
175.14845	1.6
177.12724	1.8
181.10133	1.5
181.12259	5.7
183.11748	2.4
185.13290	5.5
187.11162	2.3
189.11243	2.5
193.10364	1.8
193.12245	19.0
195.11853	1.3
197.13290	1.1
198.51816	1.1
203.10757	1.7
203.14351	3.6
205.12254	1.8
211.13200	2.1
213.12776	1.7
215.14302	1.9
227.12756	1.2
231.13803	2.1
243.13837	1.5
249.14880	4.1
257.04480	1.3
257.15405	1.3
267.09027	1.3
271.06030	10.4
285.10245	1.5
301.21829	1.1
316.11377	1.1
316.61630	1.0
327.23367	1.0
329.21060	3.7
337.21677	4.3
347.22122	1.7
355.22610	11.7
373.23868	5.2
403.24802	6.2
411.25195	2.1
429.26199	13.4
447.27435	100.0
448.27557	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01863	0.5
55.05506	1.2
55.41846	0.2
55.88772	0.3
56.96561	0.5
57.03432	0.7
65.03944	0.2
67.05503	1.3
69.03431	0.4
69.07063	1.3
71.57135	0.4
73.02898	0.3
79.05495	1.1
81.03422	1.7
81.07071	2.0
83.04965	0.4
83.08617	0.5
85.02921	0.3
85.06572	0.3
91.05473	1.5
93.07059	2.0
95.04967	1.2
95.08601	1.2
97.06546	0.3
97.10161	1.2
101.59895	0.3
104.52026	0.3
105.07023	1.8
107.04933	0.4
107.08601	1.1
109.02882	1.6
109.06572	0.4
109.10168	1.0
111.04421	0.4
117.07034	0.3
118.26386	0.2
119.08591	1.0
121.06485	0.4
121.10188	0.8
123.04453	0.4
123.11715	0.4
124.50154	0.3
125.05998	0.5
125.09681	0.4
128.06158	0.3
129.06961	0.5
131.08580	0.8
133.10146	0.7
135.11707	1.0
139.03976	0.3
145.10146	0.8
147.04433	0.3
147.11699	0.7
149.02362	0.4
149.09627	0.4
151.07581	1.3
157.10065	0.3
159.08131	0.3
159.11714	0.5
163.11272	0.3
171.08018	0.4
173.13249	0.4
175.11166	0.4
183.11781	0.3
187.14847	0.4
193.12300	0.7
197.13188	0.4
211.13326	0.3
257.04309	0.6
267.09018	0.6
269.10544	0.3
271.06100	3.2
285.10156	1.0
285.20355	6.5
326.73499	0.3
429.26413	0.8
447.25690	100.0
448.25989	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2739
Annotation	CJ 13103
Peak:m/z	Relative Intensity
53.03914	0.4
55.01842	0.4
55.05512	4.3
56.58202	0.3
57.03399	1.1
57.07077	4.3
67.05184	0.4
67.05495	3.5
69.03417	0.5
69.07070	4.0
71.04958	0.4
71.08598	1.1
77.82997	0.3
78.66264	0.3
79.05457	1.5
81.03412	0.4
81.07054	3.3
83.08615	2.2
89.03954	0.3
91.05448	0.7
93.07021	1.6
95.08608	3.1
97.02893	0.4
97.10119	1.4
98.98428	1.4
105.06992	0.5
107.08559	1.2
108.50578	0.3
109.10114	1.3
111.11708	0.5
113.58985	0.3
119.08569	0.5
121.06444	0.6
121.10073	1.5
122.41902	0.3
123.04377	0.7
123.11691	0.9
127.03913	0.6
133.10115	0.9
135.11687	0.9
136.99989	2.5
139.03915	3.3
147.11710	0.5
149.13280	0.5
151.03917	0.6
151.59033	0.4
152.44241	0.4
153.01828	19.5
155.01007	1.5
155.03336	0.4
163.03928	2.1
165.01807	0.5
175.14708	0.5
177.05452	0.6
179.03407	6.5
191.03326	1.5
191.07013	0.7
192.04158	7.2
193.02438	0.4
193.04968	2.6
205.04961	18.5
206.05569	1.3
210.26340	0.3
211.03955	0.5
211.16747	0.4
219.06512	2.1
233.08070	1.1
247.09665	0.8
255.08975	0.3
261.11285	0.9
271.06085	0.6
275.12811	1.2
289.14404	2.1
289.21387	0.6
303.15854	3.1
311.25790	1.4
317.17545	3.4
331.19037	4.4
345.20599	3.8
359.22116	2.7
373.23331	0.5
401.26862	49.7
402.27356	1.0
411.25232	1.4
429.26358	100.0
430.26672	2.1
447.27499	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	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01865	2.8
55.05515	11.4
55.73516	0.9
57.03437	14.2
57.07065	2.6
59.87270	1.0
65.03921	1.4
67.05506	44.4
69.06786	1.0
69.07079	11.8
71.04984	1.5
71.98175	0.9
79.05495	21.1
81.07056	45.6
83.08634	6.5
83.23531	1.0
91.05480	13.1
93.06478	2.0
93.07045	29.2
95.04959	1.5
95.08612	34.1
97.06529	2.0
97.10171	4.6
98.98481	5.3
105.07007	9.0
107.08591	16.2
109.10159	16.0
111.08092	1.1
113.00021	71.3
117.06994	2.7
118.15897	1.0
119.08566	8.8
121.10150	13.8
123.08054	2.3
123.11658	6.5
131.08572	7.0
133.10124	6.9
135.11681	9.0
137.00008	6.1
137.13289	1.3
145.10139	4.6
147.11655	4.3
149.13239	5.1
150.13669	1.0
155.01045	3.7
159.11694	4.5
161.13246	3.8
163.11182	1.2
163.14827	4.2
169.02602	23.1
173.13257	4.2
175.14775	1.0
187.03659	8.0
187.14850	2.8
223.56703	1.0
237.22162	1.5
243.21085	7.9
249.09067	1.1
261.22128	15.6
271.05832	1.4
311.25790	4.4
314.65689	1.1
317.24829	6.8
335.25797	100.0
336.26282	1.5
447.25027	10.6
447.43054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1627
Annotation	Gefitinib
Peak:m/z	Relative Intensity
53.03938	0.5
53.30912	0.3
55.05502	0.6
56.96564	0.4
59.10775	0.2
62.40639	0.3
67.05489	1.1
69.03427	0.6
69.07044	0.5
71.54327	0.5
79.05482	1.2
81.03415	1.1
81.07080	1.7
83.05038	0.3
85.02885	0.7
88.84795	0.3
91.05472	0.9
92.24101	0.3
93.07029	0.9
95.04972	0.5
95.08631	0.7
96.73999	0.3
97.02898	0.4
97.06518	0.5
97.10225	0.3
98.97580	0.4
99.08039	0.3
105.07024	0.9
107.04910	0.4
107.08570	0.7
107.23958	0.3
109.02870	1.2
109.06577	0.5
109.10137	0.7
119.08598	0.7
121.10175	0.5
123.11700	0.4
127.03949	0.6
130.27824	0.3
131.08569	0.7
133.10117	0.5
145.10101	0.4
147.04419	1.1
159.11699	0.5
161.04187	0.3
211.13206	0.4
257.51874	0.3
259.08789	0.4
265.71024	0.3
267.09052	1.2
267.15955	0.4
271.06061	3.2
281.15106	0.3
283.11575	0.9
285.03839	0.4
285.10159	1.2
301.06876	0.4
302.97150	0.3
324.11542	0.8
331.07584	0.4
438.18176	0.7
447.16266	100.0
448.16586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05507	1.4
56.96575	0.3
67.05498	1.0
69.03403	0.7
69.07063	1.0
69.44122	1.9
71.04984	0.5
79.05501	1.5
81.03407	1.5
81.07073	2.3
83.04964	0.4
85.02927	0.7
91.05507	1.9
93.07051	2.4
95.04967	0.6
95.08605	1.9
97.02876	0.8
97.10166	1.7
98.21497	0.5
98.97591	0.5
105.07033	1.8
107.08601	1.3
109.02901	2.5
109.06522	0.7
109.10168	1.0
111.08056	0.4
117.07004	0.5
119.04935	0.9
119.08582	1.2
121.06483	0.8
121.10120	1.8
123.04418	0.7
123.08097	0.4
123.11699	0.8
125.09652	0.6
127.03951	0.9
127.31218	0.3
129.06970	0.4
131.08582	0.6
133.10129	1.1
135.11632	0.7
137.05986	1.2
143.08565	0.5
143.10687	0.5
145.06483	0.5
145.10115	0.9
147.04425	2.3
147.11714	0.4
149.05995	1.1
149.09604	0.6
151.07597	0.7
153.01897	0.4
159.11635	0.5
161.06007	0.7
161.09584	0.5
161.13240	0.4
163.07605	0.5
165.05516	0.5
167.07173	0.4
169.10211	0.4
173.13371	0.4
175.07573	0.5
183.17503	0.3
189.09068	1.0
191.07138	0.4
191.72417	0.4
207.10129	0.4
209.95432	0.3
219.01869	0.4
229.08585	0.4
267.09055	1.2
271.06009	5.4
275.16425	0.6
285.10211	1.1
285.15005	0.7
303.15787	0.4
327.11191	0.9
337.16272	0.4
429.18875	0.5
429.26303	0.7
447.16287	100.0
448.16565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03947	2.1
58.08440	0.4
61.02917	1.5
61.90004	0.4
69.03432	0.8
70.87050	0.7
70.87386	0.6
77.03909	0.7
79.05496	4.7
81.03413	1.4
82.84560	0.4
85.02911	2.3
91.05462	0.6
93.07037	1.2
95.04972	0.9
97.02903	1.1
101.46339	0.4
105.04531	0.6
107.04963	56.7
109.02816	0.8
119.08564	0.6
121.10096	0.6
132.31935	0.4
133.02631	0.6
133.10115	0.7
135.04185	5.2
145.04956	0.5
150.57246	0.4
152.62230	0.4
161.02200	0.7
179.03165	25.5
185.04211	7.9
193.12282	1.4
211.13322	1.6
241.08389	2.1
267.30698	0.4
269.58368	0.4
285.17017	2.0
291.08487	1.3
297.09775	0.6
305.51111	0.4
309.09265	0.6
341.08630	0.6
403.13562	4.7
447.12637	100.0
448.13062	2.0
465.06555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1628
Annotation	Gefitinib
Peak:m/z	Relative Intensity
65.39360	0.2
69.69410	0.4
69.69818	1.0
81.07037	0.4
82.17848	0.3
84.49829	0.2
85.02869	0.4
98.20827	0.3
119.04965	0.3
137.78929	0.2
147.04425	0.7
161.55544	0.2
214.39630	0.3
271.05981	3.4
283.11557	0.5
303.05038	1.0
331.07986	0.5
340.82419	0.3
447.16296	100.0
448.16855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39969	0.8
55.05482	0.8
56.96562	1.5
67.04245	1.4
67.05490	1.1
68.06850	0.8
69.03445	1.5
69.07069	16.5
71.07805	1.1
71.08135	1.8
73.02904	1.1
79.05497	0.8
81.07028	1.1
82.06581	17.1
83.26029	0.9
84.08153	5.9
85.02901	2.8
86.09708	100.0
91.05453	1.2
93.07047	1.1
94.06558	2.4
96.08121	2.7
98.97553	2.2
100.07612	2.8
105.07063	1.0
107.04948	1.5
108.08114	0.9
110.06043	12.2
110.09660	0.8
110.97562	1.2
115.03988	1.1
117.03367	1.2
119.04959	0.8
121.10110	0.9
122.06001	1.0
124.07574	2.0
127.03876	0.8
127.08685	5.6
128.10704	1.0
129.07013	1.2
131.04912	2.4
131.08549	1.1
136.07582	4.9
137.05930	4.1
139.08682	8.8
142.81935	0.9
145.02835	3.3
145.06500	0.9
145.10138	1.5
146.06017	1.2
147.04372	0.8
149.09576	1.4
150.12775	8.9
155.08514	1.0
157.06464	3.3
157.10156	0.9
159.08008	1.2
160.11198	0.9
161.05927	1.1
163.11177	5.8
165.05458	1.4
169.09727	0.9
170.95840	0.8
171.08009	1.1
172.08838	16.1
173.09624	5.0
175.07492	1.7
177.05475	7.9
178.12260	6.4
182.08104	3.4
183.07997	1.2
185.09621	4.4
187.07568	2.5
195.14937	30.8
200.10669	8.7
201.09160	1.1
202.12234	2.7
219.01822	2.1
219.14932	3.1
223.14433	2.3
229.08614	7.6
231.10129	1.4
237.02937	0.9
237.16005	18.9
246.11273	53.2
248.12849	1.1
265.15494	6.3
271.06033	3.2
275.09113	1.4
291.10266	0.8
292.11856	7.4
305.14941	1.9
309.11142	1.0
313.18997	1.2
333.14441	19.3
341.13416	0.8
359.19699	17.3
371.13864	1.9
389.14984	5.2
400.22379	1.6
404.21817	3.7
405.20093	6.7
418.23294	3.5
428.21472	0.9
446.23273	41.2
447.23331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0925
Annotation	Baicalin
Peak:m/z	Relative Intensity
60.84644	0.1
67.01870	0.5
68.99790	0.4
70.08492	0.2
70.08907	0.1
85.02879	0.1
91.05465	0.3
98.21458	0.1
100.68118	0.1
119.04131	0.1
119.04945	1.6
121.02873	0.5
145.02823	0.4
153.01826	4.2
163.03886	0.3
164.51604	0.1
169.06413	0.1
171.02914	0.2
216.10939	0.1
222.23853	0.1
225.05373	0.2
229.05005	0.2
243.06548	0.3
247.06003	0.2
271.06003	100.0
272.06317	1.4
272.09061	0.2
447.09225	3.8
469.62851	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	446.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01863	3.0
56.96555	3.4
57.03439	24.4
57.41639	1.5
59.04989	2.9
60.04522	1.7
61.02917	4.2
69.03434	78.9
69.03820	4.1
69.52454	7.2
69.52874	5.1
73.02921	13.2
74.09731	2.8
81.03391	7.8
81.07041	1.8
83.19057	1.5
85.02907	65.1
87.04475	58.1
91.05437	3.6
93.07063	3.1
97.02901	70.7
98.97601	5.1
99.04490	3.0
103.05476	14.7
107.04955	3.8
107.27750	1.6
109.02860	5.7
111.04429	2.0
115.03939	92.2
116.98598	2.2
121.10141	2.2
127.03917	11.6
131.04935	88.8
133.04973	100.0
137.05908	4.1
139.28764	1.6
145.02844	5.7
145.04973	14.6
147.04413	3.7
149.05984	9.0
150.07645	18.6
151.03877	5.7
158.57263	1.7
161.05972	2.1
163.06027	2.0
163.11198	2.6
166.65524	1.6
169.05045	3.2
171.08044	3.1
177.05534	13.2
180.08679	2.5
204.23521	1.7
205.21184	1.7
219.01880	1.7
241.07002	3.7
259.08044	5.1
271.05899	5.8
275.09299	2.1
293.10220	14.2
295.10208	2.3
324.61438	1.9
325.46136	2.0
329.46222	1.8
335.09576	2.3
446.15039	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	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
55.01878	13.3
55.05499	5.9
56.96570	2.2
57.03425	7.0
60.04529	2.3
61.02919	8.3
67.05497	5.0
68.99763	2.7
69.03432	29.7
69.07054	7.8
70.06588	2.5
70.10708	7.1
71.04980	6.5
73.02899	8.0
74.49788	1.9
79.05488	5.1
81.03418	35.2
81.07054	10.9
83.04957	3.6
85.02908	100.0
85.06506	1.8
85.91298	2.5
87.00822	35.4
87.04465	3.4
89.06034	4.1
91.03938	4.2
91.05490	6.8
93.07072	10.5
95.04947	4.5
95.08594	6.2
97.02894	32.8
97.06550	2.4
97.10136	2.9
98.97562	4.9
99.04462	19.6
101.06025	2.1
103.03928	5.1
105.01866	29.4
105.03399	4.8
105.07043	19.4
107.04957	4.0
107.08597	8.9
108.04486	4.9
109.02886	31.2
109.06515	3.8
109.10122	2.9
111.04467	10.0
111.08080	2.3
115.48679	2.0
117.01849	3.6
117.06982	2.9
119.04933	2.6
119.08559	8.7
120.78396	1.9
121.02885	2.3
121.06522	4.9
121.10128	4.0
123.08051	5.5
123.11763	2.3
126.05514	2.6
127.03918	58.8
129.01849	4.6
129.06967	2.0
131.08582	4.5
133.10110	7.2
135.08060	85.7
135.11682	3.4
137.05942	3.4
139.11159	2.8
143.08450	2.7
145.04970	22.3
145.10135	3.2
147.02867	3.2
147.04442	5.1
147.08005	3.0
147.11716	3.4
149.09607	7.4
151.11169	2.5
155.08508	2.5
157.10179	3.2
158.81064	2.5
159.02881	20.0
159.11725	3.0
160.08868	2.9
161.09590	8.8
163.11185	99.5
169.09950	2.1
172.08842	14.8
173.09616	7.8
175.11116	14.9
177.12755	13.9
181.12273	21.8
186.10396	8.8
187.11198	42.3
188.08287	2.9
189.03955	3.2
189.09148	3.8
191.10661	11.5
193.12270	4.3
199.11252	4.9
201.12750	15.2
203.10689	6.3
205.12244	47.9
210.10413	2.3
211.11195	7.2
211.13095	2.2
213.03960	3.2
217.12305	5.3
225.12758	3.7
229.12257	8.8
230.77089	2.2
231.05086	9.6
231.13968	2.3
231.17332	3.6
238.09906	3.3
243.13815	6.3
247.13312	24.7
248.07622	2.7
250.11081	1.9
253.12245	7.6
267.08987	2.7
269.12415	4.0
271.05887	4.8
271.13324	43.6
283.08646	2.2
285.10129	5.2
289.14352	65.7
289.17618	3.4
324.11337	5.6
375.14178	4.4
393.15515	11.0
411.23706	3.7
446.18951	6.5
446.26614	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
51.03872	4.7
55.05515	28.5
57.07067	35.0
58.49333	5.3
67.05500	23.3
69.07076	53.4
71.08633	36.1
71.11134	13.9
79.05494	23.2
81.07058	71.9
83.08619	31.3
85.10182	15.1
91.05473	13.7
93.07044	43.5
95.08611	76.7
97.10176	22.3
98.20655	5.5
103.99070	5.0
105.07047	44.0
107.08581	55.8
109.06535	9.3
109.10162	49.7
111.11740	16.0
115.36954	5.3
117.06989	11.7
117.43549	5.0
117.44415	6.7
119.08588	43.8
121.10123	33.8
122.44244	5.1
123.08056	6.1
123.11676	14.2
131.08543	31.5
133.10164	35.0
135.11667	15.2
137.05978	9.8
137.13269	12.9
139.07567	7.0
140.17093	5.3
145.10127	51.1
147.08105	6.3
147.11659	31.7
149.13254	12.0
151.07538	11.8
151.14781	10.3
157.10135	12.7
159.11688	50.2
161.13249	25.7
163.14810	8.4
165.09079	12.4
171.11758	14.5
173.13283	19.6
175.11201	7.8
177.09000	5.0
177.12814	9.9
185.13263	13.1
187.14807	11.8
191.10690	7.7
199.14894	15.7
201.16399	11.2
205.12221	13.0
213.16437	13.5
219.21034	7.0
227.18011	9.2
233.22626	6.7
241.19533	10.5
269.18921	6.4
283.24463	5.8
287.20041	8.9
315.23035	8.1
325.29065	6.3
381.35208	77.9
391.33444	8.2
399.36169	88.5
409.34634	37.7
427.35754	100.0
445.20004	41.6
445.36749	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.6
55.01881	7.2
55.05512	29.5
55.42955	2.5
57.07078	43.0
58.85993	2.5
67.05495	20.6
69.07072	72.9
70.14879	9.7
71.08633	31.4
79.05491	15.7
81.07059	54.5
83.04974	7.1
83.08617	50.8
85.06541	3.0
85.10190	22.4
91.05493	9.8
92.17612	2.6
93.07043	28.7
95.08611	42.6
97.06527	5.8
97.10174	38.7
105.07029	5.2
107.08615	27.6
109.06533	6.0
109.10162	24.1
111.08096	9.0
111.11732	19.4
119.08566	10.5
121.06509	6.9
121.10151	14.9
123.08088	10.6
123.11697	11.4
125.13288	7.9
125.98095	2.5
133.10162	4.4
135.08067	8.3
135.11682	17.0
137.05965	11.3
137.09677	3.4
137.13261	8.4
139.07549	100.0
139.14857	3.1
147.08133	3.0
147.11671	4.2
149.09622	5.4
149.13266	14.5
151.07561	14.5
151.14809	3.8
161.09627	4.3
161.13245	3.7
163.07536	4.2
163.14821	15.2
165.05482	11.5
165.09116	32.8
167.07056	3.0
171.11765	4.7
173.09598	2.7
173.13235	2.4
175.11237	6.9
177.09109	6.9
177.16403	5.2
179.07031	3.4
181.08618	6.4
185.13324	4.1
189.09190	5.3
189.12753	5.3
193.08620	19.9
202.09973	3.9
203.10703	7.5
205.12262	4.5
217.12260	9.1
219.13890	4.7
221.11708	4.3
231.13844	8.5
235.13321	3.7
262.82950	2.9
268.89737	2.7
289.28842	14.0
305.21298	4.1
307.29956	26.0
307.36996	3.3
323.17081	2.9
341.32544	2.5
381.35132	3.2
399.36273	8.0
417.37384	8.1
427.35736	12.8
445.31293	5.0
445.36807	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13240	3.2
56.96566	13.6
57.01013	3.4
58.83410	3.6
62.95988	3.7
69.03454	4.6
70.06573	4.4
71.56191	7.6
73.04749	9.6
80.46082	3.1
83.47789	3.4
84.96050	5.7
85.02918	11.2
86.09724	5.6
89.02386	3.7
91.05804	15.6
97.02932	6.9
98.97588	42.1
100.04156	3.7
103.81709	3.3
107.04950	5.8
110.97601	6.3
111.89176	3.9
116.98633	8.3
122.60821	3.4
124.99160	4.6
128.62849	4.0
128.98601	7.9
140.98631	5.4
143.00194	11.6
152.98608	5.8
158.99704	10.5
161.01305	9.1
167.05602	6.2
168.05508	9.8
172.94301	4.2
177.00708	5.6
201.00723	11.3
208.85110	3.4
218.19188	3.4
219.01776	46.0
237.02812	43.4
249.07628	6.8
273.12854	4.1
284.09250	5.1
298.97519	18.5
316.98474	54.3
325.05603	7.3
334.99222	3.8
359.02899	4.5
360.02954	9.1
405.01544	54.9
423.02762	100.0
446.04315	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01855	2.1
55.05518	11.8
57.03427	1.7
60.49830	0.8
65.03934	2.3
67.05511	28.8
69.03431	1.4
69.07069	10.0
71.04987	1.5
79.05499	24.2
81.03402	1.5
81.07063	29.7
82.86356	0.7
83.04975	2.8
83.08614	5.6
85.06521	1.7
85.76203	0.8
87.50620	0.7
91.05485	37.6
93.07050	26.3
95.04986	3.7
95.08611	21.1
97.06536	3.4
97.10160	2.2
101.20599	0.7
103.05455	1.1
105.04517	1.3
105.07040	30.2
107.04964	2.7
107.08603	10.9
109.06526	3.0
109.10162	8.6
111.08076	1.2
115.05461	2.1
117.07021	16.2
119.08591	20.7
121.06496	3.3
121.10161	8.5
123.08060	2.2
123.11752	0.8
125.09646	1.2
128.06197	2.4
129.07007	12.1
130.07784	1.5
131.08575	24.4
133.06511	2.1
133.10141	11.4
135.08055	2.2
135.11705	4.6
137.09615	1.5
139.11218	1.2
141.07024	3.9
142.07773	1.5
143.08560	11.6
145.06442	0.9
145.10129	16.6
146.20381	0.7
147.08031	2.9
147.11693	3.8
149.09605	2.0
149.13278	1.5
151.11223	1.2
151.54431	0.8
155.08577	6.3
155.43146	0.8
157.10132	7.6
159.08040	1.9
159.11690	7.0
161.09596	1.4
161.13246	1.9
167.08583	2.2
169.10164	5.0
171.07988	0.9
171.11690	6.6
173.13263	2.6
175.11237	1.4
175.14880	1.2
175.22221	0.8
180.09401	1.1
181.10083	2.5
182.10765	0.7
183.11684	3.7
185.13289	3.6
187.11128	1.0
187.14856	2.6
195.11771	2.0
197.13293	2.9
199.14920	1.6
199.59856	0.8
201.12703	1.3
201.16534	1.2
205.12418	0.8
209.13252	2.6
211.14825	3.3
213.12682	1.0
213.16460	0.9
215.14389	1.2
217.15897	1.9
223.14882	1.7
225.16388	1.5
227.14349	0.9
233.15315	1.1
237.16510	1.2
239.18034	0.8
243.17630	0.9
247.17076	1.5
259.17004	2.2
273.18518	2.2
325.25256	3.3
335.23605	4.4
343.26590	3.8
353.24786	11.7
355.15726	1.9
359.02850	0.9
371.25812	14.1
389.26865	13.1
427.28171	2.0
445.29532	100.0
446.29993	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.295
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
53.03945	2.4
55.01867	2.4
55.05514	12.3
57.03415	1.8
57.07074	1.1
65.03933	2.3
67.05508	29.4
69.03402	0.9
69.07076	9.8
69.91734	3.0
71.04986	2.0
78.99062	0.7
79.05496	26.0
80.78819	0.7
81.03411	1.5
81.07058	29.3
83.04974	2.8
83.08630	4.7
85.06536	1.7
91.05481	36.9
93.06479	1.7
93.07050	26.0
93.07628	1.4
95.04987	3.7
95.08609	19.3
97.02894	0.9
97.06546	3.2
97.10175	3.3
98.21504	1.0
103.05470	2.7
105.04541	1.1
105.07037	35.3
107.04967	3.4
107.08588	11.5
109.06522	4.3
109.10152	6.0
111.08090	1.9
115.05445	2.5
117.07027	18.4
119.08581	24.8
120.56796	0.7
121.06541	3.6
121.10148	9.1
123.08086	2.0
123.11682	1.3
125.09643	1.2
126.53033	0.7
128.06236	3.3
129.07014	11.9
129.23868	0.8
130.07814	1.4
131.08583	27.9
133.06503	2.3
133.10141	13.0
135.08090	2.3
135.11700	2.4
137.09631	1.5
141.06981	4.4
142.07785	1.5
143.08578	12.9
145.06479	2.4
145.10127	16.7
147.08009	3.6
147.11671	4.4
149.09647	1.7
149.13345	1.0
151.11176	1.4
155.08516	7.3
157.10123	9.6
159.08060	0.9
159.11722	8.0
161.09656	1.7
161.13153	1.7
163.11159	1.2
167.08551	2.3
168.09406	1.1
169.10168	5.2
171.08055	1.2
171.11658	6.1
173.09737	0.8
173.13278	2.8
175.11288	1.2
175.14929	1.0
181.10173	3.3
183.08145	0.8
183.10286	0.8
183.11691	3.6
185.09494	0.9
185.13240	2.6
187.14839	1.7
189.12718	1.1
195.11696	2.7
197.13297	3.2
199.11108	0.8
199.14833	1.7
201.12721	1.2
201.16353	0.8
208.12590	0.8
209.13306	1.6
211.14853	2.5
213.12756	1.3
219.13869	0.8
223.14827	1.7
225.16280	1.3
227.14403	1.0
229.15939	0.9
233.15421	1.7
239.18037	1.3
241.16032	1.4
245.15340	1.1
247.16940	1.8
255.17516	1.2
259.16907	0.9
261.18628	1.1
273.18585	1.5
307.24139	1.0
311.19897	0.8
325.25223	2.6
335.23737	3.3
343.26382	3.3
353.24741	12.6
355.15356	1.0
371.25836	15.2
389.26852	12.7
427.28445	3.2
428.97949	0.8
445.29510	100.0
446.30032	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01873	2.4
57.03433	3.0
57.07082	1.3
60.83594	0.9
61.02934	3.7
67.05505	1.9
69.03435	11.4
69.07061	1.4
70.06596	2.3
71.04996	2.3
71.54411	0.9
72.08141	0.8
72.65282	0.7
73.02924	2.4
73.04762	2.0
74.06100	1.9
79.05478	1.9
81.03428	6.0
81.07085	4.9
83.05003	1.0
85.02913	26.9
85.06548	100.0
86.09708	5.6
87.04466	2.3
90.23129	0.9
91.03960	1.2
91.05439	5.3
93.07050	2.6
95.04973	2.3
95.08618	1.7
97.02904	8.7
97.06527	1.7
98.97588	1.1
99.04474	1.0
103.05502	1.1
103.07590	4.6
105.07018	3.7
107.08602	2.4
109.02884	4.3
109.06542	1.4
109.10175	1.9
111.08111	2.4
117.07021	1.5
119.04962	4.9
119.08605	5.4
121.02923	3.2
121.06512	0.9
121.10178	3.8
123.08147	0.9
124.68259	0.8
125.06012	1.2
125.09649	1.3
127.03937	5.0
129.09718	0.9
129.37891	0.7
130.10625	0.7
130.83997	0.7
131.08586	2.4
133.10188	1.5
135.08063	1.9
135.11684	1.2
137.06015	0.9
137.09648	2.5
139.03912	1.9
143.08627	0.9
145.04999	4.3
145.10149	4.3
147.04427	22.6
147.05544	1.7
147.08064	4.3
149.09616	2.2
151.03970	1.0
153.09105	1.1
154.97966	1.2
159.11716	1.6
161.09578	1.6
161.13271	2.0
163.03918	1.3
163.11203	9.1
167.13864	0.9
172.99010	0.9
179.10683	2.2
181.12239	9.0
187.14876	0.9
191.10689	11.0
199.06381	1.5
205.15952	1.2
207.07634	1.1
209.11722	6.9
217.00063	1.2
219.13643	0.8
243.57420	1.0
247.13268	1.2
247.16956	4.5
265.18002	80.1
283.15778	1.4
283.19019	14.7
295.06046	6.0
301.06134	1.0
321.07654	1.8
325.06940	1.0
349.07172	3.4
359.02875	2.3
379.08096	1.4
383.16736	2.1
390.12936	1.0
391.07980	1.9
409.09100	1.2
445.09598	9.2
445.17017	15.1
445.24417	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	445.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.05504	5.9
57.03429	4.9
57.37897	1.8
67.05488	4.3
69.03425	11.2
69.07075	2.9
70.76833	1.3
71.04988	3.8
71.23510	1.6
75.04494	7.5
78.46794	1.3
78.54992	1.5
78.99097	1.4
79.05495	26.3
79.17879	1.3
81.03433	11.2
81.07056	12.7
85.02903	10.0
85.06515	1.3
87.69559	1.3
91.05480	17.6
91.68471	1.3
93.07047	96.5
95.05000	6.9
95.08595	6.0
97.02885	7.9
97.06557	2.2
98.97574	4.6
99.04446	2.7
99.08076	4.7
103.05498	2.4
105.07027	12.6
107.04944	2.4
107.08603	29.0
109.02882	6.4
109.06561	1.5
109.10217	2.4
111.08083	6.0
116.98645	1.3
117.06954	2.4
119.08598	9.7
121.06567	2.2
121.10145	100.0
122.10513	1.4
123.11707	2.3
127.03905	4.7
129.06984	1.3
131.08559	5.4
133.10149	3.9
135.08066	2.3
139.11191	16.4
145.05009	1.6
145.10095	2.1
147.04372	1.6
149.09622	25.6
159.11699	1.6
165.09090	1.9
167.10674	28.1
177.00699	1.5
185.11667	2.1
187.11221	1.8
209.11661	1.3
215.27805	1.4
219.09508	1.4
257.17392	1.4
265.17804	1.6
293.13834	5.9
311.14905	25.4
445.24527	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	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.88841	0.4
55.05491	0.5
65.03942	0.7
69.03423	1.8
69.07084	0.5
69.87557	0.5
69.87814	2.0
70.06579	0.6
70.81756	0.4
72.08143	0.9
73.04745	0.6
75.41154	0.4
78.81102	0.4
81.03419	1.9
83.04990	0.6
85.02921	2.1
86.09704	2.1
91.05477	7.0
93.07040	0.7
97.02876	0.9
97.06509	0.5
98.97599	0.7
101.06019	1.2
101.67300	0.4
105.07038	0.6
107.04950	0.6
109.02865	0.9
119.04951	18.3
119.08627	0.7
121.02856	1.5
121.06570	0.5
127.03910	0.7
129.05499	0.5
131.04948	0.5
131.08601	0.5
133.10187	0.6
135.08032	0.4
135.11755	0.5
137.09618	0.8
139.03909	1.4
143.47177	0.4
147.04422	100.0
148.04802	0.9
151.03883	0.5
161.09604	0.5
163.03909	1.4
165.05489	3.3
167.05579	0.4
173.13145	0.5
215.11008	0.5
265.14240	0.9
283.06277	1.2
283.15393	1.0
291.08649	2.0
301.07370	0.9
309.09750	4.9
359.02698	0.7
445.15320	3.3
445.20743	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	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
65.03925	0.9
67.05501	0.5
68.01175	0.4
68.86474	0.4
69.03420	1.8
69.16187	2.7
69.16611	1.5
70.06596	0.6
71.05003	0.4
72.08145	0.8
72.73334	0.4
73.04751	0.9
76.02222	0.5
77.03899	0.5
79.05492	0.9
79.77659	0.4
81.03451	2.0
81.07040	0.8
83.04961	0.6
85.02904	2.4
86.09699	2.4
87.55324	0.4
91.05476	8.0
93.07056	1.0
97.02899	1.3
98.97591	1.1
99.04469	0.4
99.58732	0.4
101.06017	1.0
105.07014	0.9
107.04963	0.8
107.08591	0.4
109.02888	1.5
109.10233	0.4
112.13098	0.4
116.98618	0.5
119.04950	18.4
119.08607	0.6
121.02866	1.4
127.03929	0.6
131.04982	0.6
133.10147	0.8
135.04466	0.5
139.03912	1.5
145.04948	0.6
145.10048	0.5
147.04419	100.0
158.99625	0.6
160.70142	0.4
163.03938	1.6
165.05489	3.3
187.84431	0.4
200.26064	0.4
209.11703	0.4
219.01651	0.4
247.13213	0.8
248.56177	0.5
265.14398	0.7
283.12103	0.6
283.15460	1.1
291.08612	2.1
295.26294	0.4
295.99243	0.4
301.07458	0.8
309.09637	4.9
398.25455	0.5
445.14957	4.5
445.20447	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	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05521	0.6
57.28206	0.6
61.02921	0.6
67.05517	3.4
69.03431	4.3
69.07066	0.7
69.72859	2.4
69.73269	1.1
71.04994	1.1
72.90758	0.7
73.02911	0.9
77.03916	0.9
79.05486	2.2
80.38819	0.5
81.03430	3.8
81.07061	1.3
83.04985	1.4
85.02912	4.7
85.06537	1.6
91.05488	2.8
93.07026	3.5
95.04970	1.4
95.08615	1.3
97.02911	2.9
98.97601	1.3
99.04452	1.4
103.05474	24.4
105.07030	2.0
107.04967	5.7
107.08601	1.9
108.05269	1.4
109.02898	1.7
109.06506	1.1
109.10152	1.3
117.05534	0.6
117.07011	0.7
119.04926	0.7
119.08594	6.3
121.02892	1.4
121.06479	1.2
121.10143	1.6
123.04395	1.3
127.03920	1.8
129.06995	0.6
131.04938	100.0
132.05278	2.0
133.10123	2.5
134.25015	0.6
137.06006	0.8
137.09631	2.6
145.04951	0.7
145.10121	1.0
147.04434	1.9
147.08034	1.4
147.11707	0.9
149.06000	8.4
149.09634	2.1
161.13260	1.9
167.07018	0.6
175.11237	0.6
176.08437	1.1
189.12794	0.6
194.95421	0.7
203.14331	2.0
207.10191	0.8
223.29474	0.6
248.13654	1.6
275.09204	4.1
293.10242	10.0
299.09152	0.7
309.94992	0.7
341.14221	6.3
445.14493	5.4
445.20261	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	444.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42001	0.7
54.45475	0.6
55.01883	0.7
55.05504	1.5
57.07059	1.1
69.07067	8.3
69.99979	3.3
70.06599	3.0
72.08138	0.9
73.06562	1.4
81.07071	1.5
86.09709	100.0
88.07631	1.1
90.97672	0.7
93.07062	0.6
95.08633	0.8
102.09175	1.1
105.07024	0.8
118.08608	0.6
132.10226	2.0
137.08202	0.7
166.29514	0.6
168.13893	1.1
186.14899	74.4
187.15292	1.1
214.14392	25.6
214.16396	1.5
215.06528	0.6
299.23230	0.9
314.19604	16.7
314.22922	1.3
338.34229	1.8
382.36761	4.2
399.28558	32.7
400.29001	1.0
427.28015	5.2
444.40555	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	445.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
56.96299	1.3
56.96565	14.2
57.03426	1.2
59.30065	0.6
60.95847	0.8
61.02945	0.8
66.64129	0.6
69.03424	3.1
71.05054	0.7
71.53056	0.6
71.95254	1.9
73.02921	0.9
73.04754	2.2
81.03413	1.9
84.96047	4.7
85.02908	6.6
88.93690	0.6
91.03961	0.7
91.05791	2.0
97.02889	4.4
97.96809	6.0
98.97588	100.0
102.96864	3.7
105.85150	0.6
107.04955	1.6
109.40924	0.7
110.50864	0.6
110.97575	20.1
112.99151	3.0
114.96869	1.0
115.97816	1.5
116.98627	32.0
119.01959	0.7
122.07199	0.9
123.05502	0.6
123.45924	0.8
127.03928	2.1
128.98607	15.0
131.00183	3.1
132.97945	1.2
134.99651	5.9
137.05949	1.3
139.03893	0.8
140.98582	1.9
143.00163	3.6
143.01935	0.8
144.98056	1.0
145.04961	1.5
146.99661	5.7
149.01282	1.2
152.05621	0.9
152.98676	1.3
158.99670	22.2
161.01241	3.5
161.02832	0.9
162.99109	1.3
163.03845	0.9
165.00717	0.7
170.99690	4.2
173.02832	0.7
177.00726	17.1
182.99660	1.2
186.98972	1.0
189.00743	3.6
191.03967	1.1
193.00003	1.4
193.01735	16.8
193.98895	1.9
197.01297	1.5
197.08235	0.7
200.04356	0.7
201.00676	5.3
205.00000	1.8
205.01822	1.8
207.03438	1.9
210.09392	1.1
211.02789	10.5
211.99944	0.9
219.01775	34.1
220.06070	0.8
221.01231	1.7
223.01051	1.4
223.02832	9.4
223.04791	1.3
225.04431	1.1
228.03929	0.8
232.98260	1.3
237.02829	44.0
239.02232	4.0
241.03929	7.8
246.91273	0.8
247.02887	7.4
249.04390	3.6
255.03931	2.6
257.04370	0.6
259.05197	0.7
260.02075	2.3
260.04553	0.8
265.04028	7.8
265.06396	1.0
267.05194	0.8
272.06543	1.5
274.07034	1.1
278.03110	1.2
281.03268	3.3
283.04895	2.7
307.04807	4.5
325.04672	1.2
329.05426	1.1
337.05878	2.0
359.02979	3.0
367.07327	2.3
385.08063	52.6
386.08997	0.8
403.09146	35.6
413.13803	1.5
426.10803	1.5
445.10278	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.1
51.02377	0.3
53.03949	1.0
53.61482	0.1
55.01868	0.1
62.78255	0.1
67.05496	0.2
69.69338	0.5
69.69748	0.2
77.03933	0.5
79.05494	4.5
81.03426	0.2
81.21262	0.1
85.02911	0.2
95.04972	1.9
97.02872	0.3
101.45599	0.1
105.04528	0.5
107.04956	100.0
108.05271	1.0
109.06531	0.4
110.53937	0.1
123.04433	0.1
124.07634	0.2
131.05051	0.1
138.09152	0.3
139.03871	0.2
141.05450	0.1
147.04462	0.3
157.05019	0.1
165.29500	0.1
166.08659	0.2
183.08075	0.3
201.09081	1.0
219.10194	0.7
229.08537	0.6
247.09610	0.2
265.10666	0.3
382.57050	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	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03941	2.2
55.01859	1.1
55.05511	10.1
57.07088	10.6
60.31070	0.8
65.98737	0.8
67.05504	8.9
69.03427	1.3
69.07072	19.3
69.22215	0.8
69.27713	8.3
70.07352	0.8
71.08636	10.5
79.05482	5.5
81.03454	1.4
81.07054	20.0
83.04933	0.9
83.08631	7.8
85.10178	5.9
87.04473	1.7
91.05495	5.3
93.07053	11.8
95.04963	1.7
95.08606	20.5
97.10160	7.4
105.07039	13.4
107.04980	5.3
107.08604	14.1
109.02891	1.1
109.06526	3.7
109.10161	11.1
111.08166	1.0
111.11744	6.3
117.07064	2.8
119.08587	15.5
121.06532	2.8
121.10147	8.1
123.11731	6.3
125.06069	0.9
125.13310	1.6
128.06245	3.5
129.05440	1.5
129.07013	5.0
131.08582	9.3
133.06540	1.9
133.10127	11.4
135.08116	1.5
135.11694	6.0
137.05965	2.1
137.13278	2.8
139.14854	1.2
143.08571	10.8
144.09373	1.7
145.06544	1.6
145.10141	11.0
147.08090	5.8
147.11705	6.7
149.09639	1.8
149.13290	2.4
151.14845	1.2
154.45874	0.9
155.08638	1.1
157.10147	7.0
159.08122	1.3
159.11688	5.8
161.09665	4.2
161.13274	7.4
163.11224	1.2
163.14883	2.7
165.09166	1.2
167.08684	0.9
169.08775	1.5
169.10175	3.1
171.08029	4.9
171.11700	3.4
173.13303	4.7
175.11150	1.7
175.14890	3.1
177.16391	1.1
183.11751	5.6
185.13280	5.2
187.11319	1.1
187.14854	2.9
189.09106	19.3
189.12871	1.1
189.16460	2.0
191.10753	3.1
195.11758	1.1
197.13316	3.1
199.14865	4.2
201.12817	1.8
201.16444	2.5
203.10742	1.8
205.12354	0.9
207.10193	3.5
211.14932	2.6
213.12827	1.0
213.16422	1.8
215.18152	1.2
217.12326	1.5
219.13823	0.9
221.11702	1.4
221.22821	1.6
225.16460	2.7
229.12294	1.5
231.13907	2.0
231.21176	2.0
241.19481	1.2
243.13857	2.4
243.17502	1.5
243.21088	1.3
245.15475	1.1
247.13260	7.7
257.15610	1.5
261.15009	1.4
267.17529	1.3
271.17038	1.6
271.23941	1.3
273.25763	1.6
285.18735	4.2
289.18100	1.0
299.27496	1.1
301.28778	4.4
303.19720	1.6
313.21786	2.6
325.28870	1.0
339.30618	2.7
341.32126	3.7
343.30017	1.6
365.32224	1.5
383.33179	4.6
397.34732	2.0
407.33276	3.7
425.34140	19.4
425.39346	1.5
443.35193	100.0
444.35806	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	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06401	0.4
53.03944	0.7
53.20284	0.4
56.96558	0.8
57.03413	0.5
57.07082	0.5
60.05653	6.4
61.02927	0.6
65.03931	0.5
67.05520	0.5
69.03424	1.6
69.07070	7.4
70.06595	20.8
71.04990	1.0
71.54609	0.4
72.04497	0.5
72.08152	1.2
74.89037	0.4
79.05492	1.7
80.05827	0.5
81.03418	1.2
81.07059	1.9
81.13173	0.4
82.48845	0.4
83.04972	1.2
83.08651	0.4
84.08134	0.4
85.02906	3.7
85.06544	0.7
86.09708	98.1
87.04439	0.5
87.10059	0.5
89.56353	0.4
91.05482	2.1
93.07043	0.8
95.04967	1.2
95.06062	0.5
95.08620	1.1
97.02897	1.9
97.06525	0.5
98.06086	0.7
98.97607	1.3
99.04468	0.5
105.07053	1.3
107.04960	23.1
107.08615	0.8
108.05287	11.5
109.02901	1.3
109.06532	1.0
109.10188	0.8
111.04432	0.7
112.08743	3.8
114.10307	0.7
115.08690	3.1
116.07098	7.3
119.04976	1.8
119.08607	1.1
121.10128	0.8
127.03969	1.9
128.10722	16.1
130.09787	2.7
133.09781	0.6
135.04700	0.7
135.08080	0.5
137.06001	2.9
137.09662	1.6
139.03946	0.6
145.05055	0.6
145.10146	0.7
147.04417	6.8
147.06389	0.5
147.19781	0.4
148.04836	0.6
149.09615	0.5
153.01909	1.2
155.06998	0.4
156.10226	1.3
156.11339	8.5
157.10954	0.6
158.09259	6.9
159.08116	0.8
163.11218	0.7
163.15182	0.4
165.06746	0.7
165.09148	0.5
167.07114	0.6
173.08183	1.2
175.11909	17.8
199.18198	0.7
205.12373	0.8
207.13828	0.4
219.01958	0.7
242.06371	0.9
245.15494	0.8
253.17043	0.4
259.08170	1.2
263.13974	0.7
263.16415	3.2
269.18762	0.5
271.17673	7.4
281.10519	1.4
281.13800	1.0
281.17618	0.9
288.20660	1.4
295.08533	0.4
350.22815	0.4
381.15823	0.6
425.29248	0.5
443.19446	34.8
443.29761	100.0
444.19678	1.2
444.30002	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	443.3524
Annotation	Topsentisterol A1
Peak:m/z	Relative Intensity
54.94553	0.9
55.05507	11.8
57.07067	3.1
62.14341	1.1
67.05506	10.0
69.07067	12.2
69.90662	5.2
71.08611	1.0
79.05497	6.6
81.07054	26.3
81.65396	1.0
83.04959	1.5
83.08630	7.5
85.06538	1.9
87.04473	3.1
91.05479	4.5
93.07040	10.3
94.07761	1.1
95.08603	38.4
97.06540	1.0
97.10187	3.5
101.06034	5.5
105.07011	7.7
107.08589	19.2
109.06521	2.0
109.10157	22.3
111.11724	2.7
117.07040	1.6
119.08570	9.8
121.10153	13.0
123.11707	17.8
129.05484	8.0
131.08582	3.7
133.10129	10.7
135.11684	8.6
137.13246	12.2
139.02934	0.9
143.08636	1.1
145.10167	5.8
147.07991	1.6
147.11705	5.7
149.13272	6.7
151.07602	1.5
151.14845	1.8
156.97829	1.1
157.10117	2.7
159.11732	3.8
161.09561	1.3
161.13287	5.1
163.14821	3.7
165.09067	1.2
167.14287	4.8
171.11674	1.8
173.13309	3.0
175.14854	4.0
177.09108	1.2
177.12794	2.3
177.16357	5.6
179.10709	1.3
187.14824	1.7
187.34688	1.0
189.16362	4.1
191.10623	1.3
191.17963	3.3
197.11760	1.2
201.16457	1.7
203.17937	2.0
205.19499	2.8
209.11652	1.2
211.13306	1.4
215.17973	1.8
217.19435	2.1
223.13451	1.6
229.19560	2.5
231.21049	12.6
235.13403	2.8
237.14854	2.3
243.21228	1.8
245.22687	6.0
251.16541	1.5
257.22784	2.6
265.18088	2.1
271.24225	1.8
273.25983	1.0
276.42041	1.2
279.19537	10.6
291.19672	2.1
293.21106	4.7
297.21210	1.0
299.27292	1.9
303.19940	1.0
305.21136	6.2
349.14075	1.0
355.33850	2.3
359.25897	1.5
373.27383	10.9
387.13956	1.3
425.34247	1.3
443.22989	5.4
443.34314	100.0
444.35059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
54.18376	1.2
55.05513	12.3
57.07068	3.7
67.05508	18.6
67.92583	1.2
69.03431	2.2
69.07068	34.6
71.08632	2.0
71.57337	1.5
79.05516	7.9
79.27862	1.5
81.07057	39.5
81.07532	3.1
83.04943	2.5
83.08625	9.8
85.06525	2.7
87.04478	6.3
91.05493	11.2
93.07050	25.7
95.04950	1.8
95.08607	64.4
97.06522	1.6
97.10162	5.5
99.08073	3.2
101.06026	6.0
105.07030	18.6
107.08588	32.9
109.10162	31.3
111.08060	3.9
111.11721	10.9
113.09638	5.8
119.07800	2.7
119.08586	30.1
121.06548	1.6
121.10149	32.3
123.11697	18.0
125.09624	2.2
125.13248	1.5
129.05476	7.2
131.08591	4.6
133.10130	23.8
135.11700	15.1
137.09583	1.7
137.13268	13.9
139.11194	2.5
143.08559	1.9
145.10147	6.4
147.08055	4.5
147.11687	14.7
149.09619	1.9
149.13264	12.6
151.07585	2.3
157.08670	1.5
157.10094	1.4
159.11705	6.6
161.13243	10.8
163.14816	16.4
165.09106	11.3
165.16499	1.8
173.13338	4.5
175.14871	14.5
177.16344	6.8
179.10626	2.2
181.15868	2.7
183.10165	3.1
184.75758	1.3
185.11786	1.8
187.14816	11.0
189.16394	16.2
191.17940	7.0
193.15868	1.7
197.11711	1.5
201.16463	5.6
203.12704	3.7
203.17975	7.4
205.19563	2.0
213.14813	2.5
215.17982	5.0
215.80225	1.5
217.19553	8.1
229.19630	3.7
231.21046	17.5
237.14772	1.9
241.54272	1.6
243.21068	3.0
245.22702	2.5
251.16360	1.6
257.22723	6.1
259.24118	8.0
271.24179	4.1
279.19534	8.4
285.25760	22.1
299.92770	1.3
333.24246	2.2
341.06992	1.5
443.34406	100.0
444.34796	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	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01877	3.8
55.05520	10.9
56.96556	2.7
57.03445	8.5
57.07099	1.5
59.04992	5.4
61.02927	8.7
67.05493	8.7
69.03436	34.3
69.82716	9.0
70.06588	3.2
71.04980	4.7
72.93777	3.7
73.02900	5.0
75.60078	1.5
79.05497	9.2
81.03419	13.4
81.07067	18.4
83.01364	1.7
83.04984	22.4
83.08662	1.7
85.02910	76.5
85.06538	3.8
87.04469	8.2
91.03931	4.5
91.05483	17.7
93.07057	16.0
95.04980	21.2
95.08621	17.8
97.02896	26.6
97.06515	5.7
98.21414	2.4
98.97575	6.9
99.04435	6.8
100.07613	2.0
101.05995	11.0
105.03389	2.1
105.07033	17.9
107.04198	1.4
107.04946	5.9
107.08608	17.9
109.02867	10.5
109.06525	10.9
109.10171	20.2
110.97546	2.3
111.04429	3.5
111.08080	2.2
116.98631	1.8
117.07019	3.9
118.08652	7.8
119.04935	3.5
119.08563	15.7
121.06499	9.6
121.10118	11.1
122.05933	1.8
123.08058	5.5
125.05994	6.8
127.03934	15.1
127.07532	2.9
128.98549	2.7
129.06947	2.2
131.08575	5.5
132.95834	3.8
133.06496	2.6
133.10126	9.3
135.04483	1.9
135.08058	8.3
135.11705	4.0
136.31401	1.8
137.05991	3.4
137.09621	49.3
139.88986	1.6
141.06929	1.5
143.08551	5.7
145.02818	3.2
145.04951	9.3
145.06514	2.3
145.10110	8.9
147.04378	4.9
147.08069	12.4
147.11688	2.3
149.09619	4.4
151.03992	2.5
151.07532	2.9
151.11159	5.0
154.97908	29.9
157.10173	5.4
159.08040	6.4
159.11703	8.7
161.06102	1.6
161.09589	6.4
161.13272	5.0
163.03934	21.5
163.07561	3.2
163.11183	24.7
164.04262	15.6
165.09116	6.0
167.07109	2.6
172.98962	19.8
173.09572	2.8
173.13306	2.7
174.96881	3.5
175.11177	4.1
177.09142	7.8
177.12852	2.0
179.10593	4.0
180.49399	1.7
181.12270	25.3
183.11653	2.0
185.09601	1.9
185.13257	6.1
187.11200	8.8
189.09143	3.3
199.14819	2.2
203.14343	11.0
205.12244	19.7
207.10133	13.1
215.00035	9.9
215.14305	3.2
217.15863	3.7
219.01282	6.1
219.13792	1.9
221.02591	9.7
221.15338	5.8
227.14362	4.3
233.01091	5.6
233.15303	7.5
237.02737	3.0
239.03850	2.0
245.15399	19.7
251.03613	2.1
257.07193	1.9
259.07849	5.5
263.03781	2.0
263.16434	82.1
281.04639	15.0
281.17490	100.0
282.17728	2.0
299.05801	23.7
323.05789	17.0
335.05887	2.6
341.06790	2.8
381.15201	2.8
425.13965	2.4
425.21912	2.5
443.10104	12.5
443.15826	21.3
443.17795	19.4
443.22934	11.1
444.18405	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	443.1911
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
53.03935	2.9
59.13145	1.3
67.05484	2.1
69.03415	5.9
69.37391	9.9
78.04186	1.4
79.05485	5.8
80.05824	2.9
81.07067	2.1
85.02891	4.3
91.05467	5.2
95.04945	2.8
97.02900	3.3
97.06512	3.1
98.21478	2.4
99.38670	1.4
105.07009	3.1
105.89930	1.5
107.04958	100.0
107.08585	4.1
108.05292	49.9
109.02863	2.3
109.06526	2.2
109.10113	1.3
111.04454	3.4
115.10191	1.4
119.08564	6.2
121.06477	2.4
123.08047	4.3
128.06271	1.7
129.06960	2.5
131.08484	1.9
133.06551	2.6
135.08060	81.5
142.07787	2.3
143.08543	1.8
144.09311	2.3
147.04469	8.5
147.08075	3.2
147.11697	1.5
151.07512	2.2
156.09352	4.8
157.10153	1.9
158.07277	2.5
159.08064	4.7
159.11684	9.3
161.09567	2.6
169.10152	2.0
171.11673	3.8
172.08781	6.0
173.09631	14.0
175.07591	2.0
175.11183	2.2
184.08817	3.0
187.11183	31.7
189.12804	1.7
193.16940	1.5
199.11194	5.9
203.10693	9.3
212.08215	2.2
215.10692	24.3
215.86642	1.4
217.12276	3.7
227.10675	6.2
233.11742	45.3
245.11765	30.6
263.10178	2.4
263.12796	29.0
279.35168	1.5
347.80142	1.3
376.08990	1.6
443.18533	2.4
444.87604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15182	0.4
54.03476	3.9
55.04247	2.7
61.02940	0.5
69.03419	1.9
70.03572	2.5
71.83699	0.5
75.80434	0.4
79.18276	0.4
80.05014	1.0
81.03455	0.6
81.04542	18.9
82.05325	9.5
85.02914	2.8
87.74801	0.5
97.02926	0.6
98.97600	0.9
101.06059	0.7
110.07210	0.8
112.49712	0.5
120.56656	0.4
122.07159	96.3
123.07938	89.9
144.04802	1.1
154.04189	0.5
160.04298	1.8
165.07712	4.1
172.04303	0.8
190.75331	0.4
195.32343	0.4
237.02933	0.5
281.10690	58.4
323.11734	1.0
443.15973	100.0
444.16342	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
60.38316	1.5
67.05524	2.0
69.03436	5.0
70.22613	6.0
79.05499	6.3
81.07052	1.7
83.04971	1.5
83.48823	1.7
85.02907	4.5
86.09701	1.9
91.05502	3.9
93.07050	3.1
95.04969	4.1
97.02882	2.8
97.06551	2.8
98.21422	2.1
105.07048	3.4
105.18835	1.4
107.04963	100.0
107.08583	5.2
108.05293	43.2
109.02858	1.3
109.06537	3.2
111.04469	5.3
117.06980	2.9
119.04979	3.5
119.08581	6.1
121.06518	3.5
123.04450	3.4
123.08045	2.1
124.00635	1.4
126.61755	1.4
127.03860	1.8
129.07001	2.3
131.08542	2.9
133.10210	2.3
135.08061	94.5
142.07710	1.8
143.08501	2.5
144.09358	1.7
145.06514	2.3
145.10144	2.4
147.04440	11.9
147.08078	1.5
151.07507	1.6
156.09351	4.9
157.10191	3.3
159.08073	5.9
159.11691	10.7
161.09660	1.8
162.05568	2.1
169.10052	2.0
171.11664	4.0
172.08815	8.6
173.09659	18.0
175.07584	1.6
175.11243	1.6
181.10127	2.7
184.08803	2.5
185.09521	2.5
187.11185	39.7
189.12718	3.0
197.09627	2.0
199.11171	9.8
203.10701	12.4
212.08351	2.5
215.10681	25.4
217.12256	7.6
227.10725	7.0
233.11734	54.2
245.11742	31.6
246.14865	2.2
263.12811	37.0
342.39203	1.4
443.18433	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	443.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63552	1.2
55.01865	2.9
56.96563	5.6
57.03446	7.0
61.02920	4.0
69.03429	11.7
69.89706	5.0
73.02913	11.9
76.46955	1.3
81.03420	3.6
83.48362	1.2
83.53910	1.4
84.96024	2.6
85.02901	20.8
91.03950	2.6
97.02889	14.5
98.21455	1.6
98.97590	35.1
99.04457	2.0
100.97188	3.8
101.00843	4.5
101.02316	1.7
109.02905	2.0
110.01305	2.0
110.97575	10.2
112.98071	1.4
116.20568	1.2
116.98636	8.1
119.01856	8.9
124.99100	1.6
127.03920	10.3
128.98596	7.8
129.02087	1.8
131.01834	5.1
140.02298	3.5
140.98592	2.5
143.00189	4.4
143.01872	11.0
145.03575	1.3
145.04956	4.0
146.02299	5.5
146.99622	1.4
152.02318	1.8
152.98631	2.2
155.02887	6.7
157.03474	2.5
158.99661	15.0
161.01425	2.0
161.02925	15.5
170.03343	5.3
170.99632	14.9
173.02963	6.4
177.00693	8.2
179.02211	1.9
182.03360	11.0
182.97250	2.5
182.99672	5.0
183.99997	1.6
185.03059	2.7
189.00720	10.6
191.03874	22.2
191.54292	1.7
195.04402	1.4
200.04425	9.8
201.00699	16.3
202.01114	2.1
203.00400	1.6
203.03996	4.5
219.01753	16.5
221.01361	1.5
221.05130	2.5
231.01884	2.0
233.05150	2.6
237.02791	4.9
242.99496	1.8
243.01782	3.6
245.05087	2.5
261.02811	15.2
262.03174	3.3
263.03137	8.2
263.06021	37.6
263.55994	1.6
272.06525	100.0
272.56668	8.7
273.08139	1.7
275.02838	1.7
275.06168	2.0
279.03827	8.7
281.04172	4.7
281.07108	22.2
281.57187	4.3
292.57892	1.9
293.07150	2.9
307.08450	1.7
309.08713	1.7
313.14557	1.3
321.04892	6.0
323.05194	4.6
323.08661	1.5
337.09793	3.5
353.09305	2.0
362.09610	13.3
383.08911	2.5
423.07806	2.3
443.09381	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1525
Annotation	Yadanziolide B
Peak:m/z	Relative Intensity
53.47108	0.3
55.05501	0.3
56.96555	0.8
57.03447	0.4
61.02924	0.6
61.31769	0.4
67.05505	0.5
69.03421	1.4
70.06593	0.6
71.54207	0.3
81.03415	0.7
81.07043	0.4
83.01088	0.7
83.04967	0.5
85.02910	2.6
91.05471	0.8
93.07050	0.8
95.01089	2.1
95.04953	0.7
95.79118	0.3
96.01865	0.9
97.02901	1.0
98.97546	1.6
102.09345	0.3
105.03393	0.4
107.04935	0.5
107.08632	0.4
109.02894	0.5
112.01387	0.8
113.02113	2.2
116.98609	0.6
119.08617	0.5
121.06506	0.4
121.10128	0.5
123.10815	0.4
126.02894	0.4
127.03904	0.7
135.08057	0.5
137.05943	0.4
137.09593	0.3
139.03937	0.4
147.04425	0.6
147.09183	1.3
157.04707	0.7
159.08070	1.3
163.03886	0.5
163.11183	0.5
167.03244	0.6
167.07068	1.0
175.11133	0.4
185.04234	3.4
189.05292	2.1
191.03249	0.7
191.39508	0.4
201.03725	0.9
203.03671	0.6
203.05336	0.8
206.05502	8.1
206.07339	0.5
207.06288	0.5
219.01791	0.6
221.01242	0.3
221.04788	2.2
237.02768	0.7
239.05936	0.7
243.08435	0.4
245.15439	0.5
249.07408	1.1
253.08823	0.3
259.07962	1.4
263.05939	0.8
263.16400	1.2
281.06784	1.0
281.09753	0.7
281.14938	1.2
323.07932	0.4
339.11127	0.5
365.08990	0.4
368.10574	0.5
412.13385	0.5
413.14252	1.0
443.15253	100.0
444.15570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10128	0.3
56.96553	0.3
61.02907	0.6
65.03922	0.4
68.29361	0.2
69.03436	3.2
71.54095	0.3
79.05507	0.3
81.07031	0.3
85.02899	0.6
91.05482	9.8
93.07024	0.4
95.04953	0.3
97.02885	0.4
98.97581	0.4
99.04505	0.3
107.04981	1.3
109.02858	0.3
119.04950	14.7
119.08647	0.3
127.03931	2.4
131.05003	0.3
144.04457	0.7
146.06023	1.1
147.04417	100.0
147.73636	0.3
148.04735	1.0
162.04312	0.3
162.05537	3.5
165.05473	1.7
174.05556	0.5
190.04993	3.6
239.69125	0.3
291.08630	1.7
300.08673	0.4
300.15271	0.3
309.09695	24.8
310.10141	0.5
311.14798	0.3
316.08273	0.8
334.09314	1.0
442.25049	9.5
443.24615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.8
69.03426	0.8
71.27067	0.3
71.54942	0.6
73.04466	0.3
74.27152	0.3
79.05507	0.5
81.03429	0.8
81.07055	0.6
85.02900	0.9
87.65898	0.3
89.57346	0.3
91.05487	7.7
93.27847	0.3
97.02899	0.4
98.97619	0.3
99.08096	1.0
100.11272	0.5
100.57389	0.3
103.05513	0.5
105.03339	0.3
107.04961	0.4
107.08636	0.4
109.02906	0.4
119.04955	16.8
127.03993	0.4
131.04942	2.3
147.04419	100.0
148.04759	0.9
162.05524	1.4
165.05499	3.3
170.15355	0.5
190.05025	1.6
203.05319	0.4
210.14722	0.3
218.29457	0.3
227.64786	0.3
263.12860	1.1
291.08679	0.5
309.09766	3.8
334.09067	0.7
442.25009	27.1
443.25024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05495	1.4
57.07079	23.6
61.02913	1.5
62.40781	0.9
62.66108	1.0
67.05502	2.1
69.03420	4.2
69.07063	3.0
69.74609	2.7
69.75019	3.2
71.04977	1.3
71.08636	32.7
73.06568	1.3
73.18664	1.0
79.05483	2.6
81.03413	2.8
81.07048	3.7
85.02909	12.0
89.06034	76.6
91.05479	2.4
93.07037	2.5
95.08585	2.8
97.02886	4.8
99.04453	1.1
101.66513	1.0
105.07027	2.2
107.04949	2.1
107.07059	3.8
107.08601	1.2
109.02871	1.3
109.10165	2.4
113.13268	1.9
115.20626	1.1
116.10706	1.3
127.03918	2.3
130.08658	1.1
133.08617	20.6
139.30499	1.1
145.04890	1.3
145.06499	1.8
146.06798	1.5
147.11745	1.7
151.09660	55.4
153.01817	1.2
157.15808	1.8
165.09059	1.3
201.18521	4.8
263.22186	100.0
264.22278	1.4
274.15079	1.6
344.24213	2.9
350.21838	1.4
368.22839	3.4
442.26514	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	442.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03948	1.3
60.77309	0.2
69.38021	1.4
77.03936	0.4
79.05496	4.9
79.62896	0.2
80.00084	0.2
81.03449	0.2
81.65372	0.2
85.02912	0.3
95.04967	1.0
97.02896	0.4
105.04526	0.5
107.04958	100.0
108.05304	0.7
109.06506	0.4
175.74954	0.2
368.10690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.4
53.03751	0.3
53.03952	4.3
55.01867	0.4
57.03431	1.4
67.05508	0.4
69.03077	0.6
69.03430	6.8
69.57816	2.3
71.04975	0.6
77.03922	1.5
79.05495	5.2
81.03420	13.3
81.07072	0.4
85.02908	9.6
86.69389	0.3
91.05477	1.9
95.04965	4.1
97.02292	0.6
97.02893	8.9
98.20815	0.8
98.97547	0.5
99.04458	1.9
105.03394	100.0
105.58898	0.4
106.03740	0.5
109.02881	9.0
119.04947	0.9
123.04433	14.0
127.03920	8.1
145.04945	2.4
147.04419	4.1
164.36952	0.4
165.05446	0.5
195.06577	0.4
231.06525	1.4
249.07593	25.4
267.08646	34.0
268.09094	0.5
442.17670	1.0
442.24542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.31247	0.3
55.05273	0.5
55.05513	7.3
57.07070	2.0
65.03931	0.6
67.05132	0.3
67.05506	8.3
69.03413	0.8
69.07067	10.4
71.04974	0.7
71.08633	0.7
71.54681	0.5
74.73568	0.3
79.05500	5.2
81.07054	17.6
83.04983	3.2
83.08619	4.5
85.06541	4.4
87.04455	1.2
89.25175	0.3
90.89643	0.3
91.05486	4.9
93.07042	10.9
93.07635	0.6
95.04961	0.7
95.08607	22.0
96.08920	0.4
97.06541	0.9
97.10188	2.4
99.08088	3.3
101.06013	6.4
105.04536	0.3
105.07035	9.3
107.08596	13.6
109.06479	0.5
109.10157	14.1
111.08085	1.6
111.11745	1.4
113.05972	0.4
113.09589	0.3
114.96310	0.3
115.03931	0.4
115.07546	0.4
117.07027	2.6
119.08581	13.1
121.06516	0.4
121.10144	14.0
123.08065	0.8
123.11713	11.6
124.12004	0.4
125.09624	0.6
129.04507	0.4
129.05479	8.0
129.06915	1.3
129.09074	0.7
130.07816	0.4
131.08557	6.7
133.06458	0.3
133.10130	13.5
135.08073	0.4
135.11693	6.6
137.09471	0.3
137.13245	3.8
139.07530	0.6
139.11127	0.5
141.05449	0.6
141.07047	0.4
142.07779	0.7
143.08553	3.7
144.09332	0.7
145.06473	0.4
145.10126	12.7
147.08040	0.7
147.11699	8.1
149.01271	0.4
149.09636	0.8
149.13252	4.3
151.07539	0.8
151.14796	0.4
155.07089	0.6
155.08510	0.5
156.03670	0.4
156.09404	0.7
157.08751	0.6
157.10139	6.1
158.10925	1.2
159.08069	0.6
159.11697	11.8
160.12482	0.7
161.09657	0.9
161.13277	5.5
163.11191	0.5
163.14803	2.4
165.09134	1.1
165.12698	0.4
167.14340	0.9
169.08791	0.4
169.10063	1.3
170.10910	0.4
171.11671	5.9
172.12440	0.7
173.09705	0.5
173.13264	9.9
174.13991	0.5
175.11198	0.8
175.14824	2.7
177.12682	0.5
177.16373	1.3
179.10574	1.3
181.15851	0.3
183.10155	0.8
183.11685	1.7
184.12427	0.3
185.11743	0.4
185.13249	5.1
186.14040	0.6
187.14809	6.1
188.15421	0.3
189.12799	0.4
189.16388	2.8
191.10646	0.3
191.17969	1.0
193.12250	1.4
195.10101	0.5
197.11684	1.3
197.13293	1.7
198.14027	0.4
199.14836	3.2
200.15475	0.7
201.12708	0.7
201.16402	2.5
203.18008	1.9
205.19501	0.6
207.10127	0.6
211.13281	2.1
211.14923	0.8
212.15556	0.5
213.16388	3.6
214.17166	0.5
215.17953	11.9
216.18547	0.4
217.12277	0.3
217.19527	1.4
221.11714	0.4
225.16403	0.9
226.17178	0.7
227.17929	3.6
228.18654	0.5
229.19505	12.7
231.13712	0.4
231.21086	1.4
233.11707	0.6
235.13316	1.1
237.14801	0.7
239.18060	0.6
239.75275	0.3
240.18602	0.6
241.19510	11.8
243.21083	4.3
245.22607	0.4
247.13431	0.5
249.14919	0.7
251.16429	0.5
253.19592	0.8
255.21091	6.4
256.21866	1.3
257.22644	7.8
261.14911	0.6
263.16559	0.3
267.21097	1.1
269.22620	3.6
271.24207	1.4
275.16440	0.7
277.13748	0.8
277.17981	0.7
277.63965	0.9
280.22003	0.8
281.22705	1.3
282.23236	0.3
283.24213	3.0
285.25766	0.7
287.16461	0.5
289.17914	1.0
291.19394	0.5
295.24203	6.6
296.24991	0.7
297.25797	3.4
299.23434	0.3
303.19534	3.0
305.21069	0.9
306.04852	0.4
309.25760	0.4
310.26291	0.7
311.27313	3.1
313.29034	0.4
317.21094	1.9
319.22693	0.8
323.27313	1.3
329.21194	0.4
331.22720	2.2
337.28796	0.4
343.22617	1.9
345.24249	7.2
351.30481	0.5
357.24243	3.7
358.25040	2.5
359.25934	2.0
369.24310	0.4
371.25830	4.3
383.25916	0.7
385.27307	1.4
395.33090	0.7
399.28864	0.5
411.28836	0.7
423.31686	0.9
426.31390	1.1
441.33624	100.0
442.34131	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93756	2.3
54.49485	2.0
55.05515	27.5
57.03431	3.7
57.07063	6.5
58.65781	2.2
59.77296	2.2
67.05511	29.2
69.03416	3.3
69.07076	25.9
71.08620	9.3
71.08993	2.6
71.52129	2.1
71.53938	3.2
77.30956	2.2
79.05500	17.7
79.15919	1.9
81.07059	35.7
83.04977	4.5
83.08624	21.0
85.06549	4.6
86.09662	2.1
91.05479	10.2
93.07048	16.7
95.08612	33.0
97.06580	3.7
97.10179	25.8
99.08118	8.0
105.07027	12.7
107.08595	20.5
109.06517	9.1
109.10172	19.4
111.08074	4.4
111.11712	2.5
119.08557	15.1
121.06505	3.2
121.10147	17.6
123.08077	26.0
123.11696	4.3
125.09624	18.3
131.08543	6.2
133.10147	10.6
135.08057	7.5
135.11690	10.0
137.09610	2.5
137.13307	4.2
145.10159	7.1
147.11690	6.9
149.09619	5.5
153.12733	5.3
157.97037	2.2
159.11713	4.9
161.13394	3.0
163.14848	3.4
179.14328	37.7
189.11238	23.0
191.14432	3.6
193.15839	3.7
205.16104	3.0
217.19586	4.9
235.20619	5.1
251.20094	8.7
279.74841	2.5
293.21133	8.1
293.28275	3.6
303.26859	10.3
331.26340	41.9
344.25146	2.5
349.27390	41.1
387.28873	8.2
398.94632	2.8
405.30051	24.1
423.31104	100.0
463.58984	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	441.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76108	0.9
56.96565	14.4
69.03399	1.5
69.38145	6.8
72.54613	0.9
81.03424	1.2
81.36396	1.0
84.96021	7.7
85.02923	2.4
97.02876	0.9
98.21518	1.7
98.97584	100.0
110.97567	40.4
112.99095	1.9
116.97832	1.8
116.98619	20.4
124.99089	4.5
127.03899	1.2
128.98605	20.3
131.00156	1.3
134.99683	3.0
140.00244	1.1
140.98610	11.8
143.00166	13.7
143.01900	1.5
144.98158	1.2
146.99667	3.8
151.26134	1.0
152.98608	8.5
155.00133	1.9
156.98175	1.0
158.99661	43.0
161.01193	8.4
170.99658	33.1
171.04852	1.0
173.01256	2.1
173.03001	0.9
177.00713	19.9
182.99648	28.6
189.00711	19.7
194.99709	1.7
195.01700	1.2
201.00711	54.0
207.01787	4.2
213.00710	3.5
216.45952	1.0
217.42104	1.0
219.01773	40.6
231.01846	4.9
237.02832	13.4
242.03270	1.1
243.01778	23.6
245.05095	1.5
261.02817	89.2
262.03146	1.0
273.02817	7.7
279.03876	43.6
291.00626	1.3
291.03851	15.8
297.04871	2.5
302.05276	1.0
303.03458	1.0
307.08716	3.0
309.05045	1.4
321.04929	45.0
323.06552	1.2
333.01538	1.0
333.04779	6.1
351.05957	9.6
381.06821	4.2
399.08035	4.0
400.36551	1.1
441.09070	28.2
441.15054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00445	2.0
56.32771	2.1
56.96529	6.5
69.03409	3.7
70.41162	4.2
70.41525	6.6
71.04971	2.2
84.95997	3.7
85.02872	6.0
85.06523	3.0
87.34192	2.7
91.05428	6.0
97.96749	5.1
98.97595	36.8
109.02833	3.0
110.97505	9.6
112.99074	4.4
116.98557	8.2
119.04898	4.3
127.03854	3.7
128.98541	7.4
140.98531	4.0
143.00111	4.1
146.99609	2.8
147.04414	15.5
152.98328	9.2
158.99615	5.2
163.03758	7.3
170.99596	4.8
177.00616	4.8
189.02147	2.6
199.21931	1.9
201.00623	3.6
207.03127	9.1
213.00455	2.2
219.01770	17.7
225.04175	2.7
237.02663	9.0
249.03947	2.8
261.04333	2.6
264.93915	2.1
297.06165	5.2
309.06464	13.0
327.07584	33.9
441.11081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56958	0.5
52.95431	0.3
53.03949	0.8
56.96576	0.4
57.03439	0.6
57.07087	0.9
59.17448	0.4
69.03439	5.7
69.07070	0.5
70.06602	0.7
71.04993	1.1
71.56754	0.5
73.02921	0.5
79.05486	0.4
79.27303	0.4
81.03424	3.9
81.07038	0.6
85.02908	6.2
85.06536	1.2
87.04485	2.0
88.53824	0.4
91.05500	0.8
93.07048	0.5
97.02898	9.1
98.97586	0.8
99.04472	2.4
105.05542	0.5
107.04973	0.7
109.02897	4.1
109.10177	1.3
113.06060	0.7
123.08108	0.4
127.03934	5.8
128.04959	9.8
128.07051	0.5
130.08543	0.4
137.06039	0.5
140.11462	0.4
145.04997	0.6
146.06021	100.0
147.04427	1.8
147.06345	1.1
155.07123	0.5
156.04555	0.5
159.06606	0.4
174.05522	81.5
175.05843	1.2
177.05489	0.7
200.07323	0.5
216.06647	1.3
225.14847	1.1
243.16025	0.4
246.11160	0.9
247.11708	0.9
248.62119	0.4
270.07693	0.7
278.75629	0.4
282.07684	1.1
300.08694	46.1
301.08908	1.1
315.57697	0.4
318.09744	9.9
431.15573	0.5
440.15393	11.1
441.16965	0.5
462.93610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
65.93700	0.5
67.05492	0.7
69.03438	0.7
69.90527	3.1
78.04708	2.0
79.05506	3.3
81.03404	0.7
81.07065	0.8
91.05473	1.8
93.07055	0.8
95.04948	1.3
103.05479	3.1
105.07029	4.9
106.04193	1.5
107.04967	6.3
115.05463	1.7
117.07034	0.7
121.06506	1.4
123.04430	5.0
124.05244	2.9
131.04929	6.8
131.08643	0.7
133.06512	4.0
135.08086	1.5
137.05963	3.0
141.06946	0.7
144.05748	0.8
145.06497	2.1
147.04446	2.8
149.06062	0.9
151.03906	1.1
151.07549	2.8
152.04671	1.8
153.05475	0.8
158.07240	0.6
159.08034	1.2
161.05995	6.4
161.09595	0.8
163.03789	0.6
163.07549	12.2
167.07048	100.0
168.07436	0.9
169.06410	0.6
173.05946	1.0
173.09656	1.2
175.07576	2.2
177.09125	2.2
179.07065	2.7
181.08623	3.8
187.07574	2.0
193.08621	16.9
195.10262	0.7
201.09137	1.7
205.08636	0.9
207.10188	0.7
217.08575	0.7
219.10150	1.5
233.11774	2.4
237.11246	1.9
251.12791	1.7
263.10629	0.8
291.10205	1.0
305.78287	0.6
323.12732	1.9
355.15414	11.3
387.18051	7.6
405.19089	9.4
440.23758	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	439.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01863	2.3
55.05515	13.5
56.96553	4.1
57.03451	7.8
57.07071	1.8
58.06259	0.9
59.04994	4.6
61.02916	2.3
65.03934	2.6
65.87617	0.9
67.05508	100.0
67.78823	0.9
69.03433	5.8
69.07076	7.7
70.20943	3.4
71.04992	5.8
73.02923	1.6
79.05494	15.7
79.55342	1.0
81.03417	30.6
81.06586	1.6
81.07061	28.9
83.04980	5.8
83.08624	17.2
85.02435	1.5
85.02910	21.0
85.06544	4.1
87.04453	1.0
91.05485	23.9
93.06570	1.1
93.07059	14.6
95.04964	13.5
95.08617	10.7
97.02895	5.4
97.06534	4.8
97.10162	2.7
98.97569	3.2
99.04458	1.1
99.08099	1.7
101.55310	1.0
105.07034	13.2
107.04951	3.0
107.08591	9.0
109.02906	1.6
109.06532	3.3
109.10158	63.0
111.04440	2.4
111.08079	10.3
111.10031	1.0
113.05968	1.4
116.98615	1.0
117.07028	1.9
119.04958	1.1
119.08573	17.8
121.06472	2.1
121.10123	6.6
123.08079	2.2
123.11697	1.7
125.09648	1.8
127.03905	2.0
129.06992	4.6
131.04947	1.6
131.08557	4.5
133.06493	1.4
133.10123	7.3
135.08008	1.4
135.11652	2.2
137.05971	2.8
137.09619	3.4
142.07716	1.3
143.08607	0.9
145.10092	1.5
147.04388	2.4
147.08052	1.4
147.11679	9.2
149.09624	3.9
149.13232	1.1
151.11191	2.2
153.01793	1.5
155.10646	4.8
157.10156	7.2
159.11739	1.2
161.09621	1.5
161.13249	1.5
163.03856	1.7
165.12746	3.0
173.02620	0.9
173.11758	16.7
175.11176	6.9
175.14911	1.4
185.13229	1.7
191.03511	1.7
193.12256	28.0
211.13300	39.3
211.15298	2.2
220.14223	0.9
225.07986	1.0
229.14313	4.0
249.14679	1.2
255.09166	2.6
259.20575	2.5
267.09048	2.3
267.15921	6.6
273.10040	1.6
277.18021	2.0
277.21597	3.2
285.09985	3.8
309.10840	4.2
315.10980	1.5
324.11469	2.2
369.19882	1.1
386.27109	1.0
403.64526	1.0
414.16971	2.0
421.25903	3.4
439.10352	2.1
439.22223	21.0
439.26862	90.2
440.27545	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
53.62692	1.7
55.05506	10.8
56.96561	2.1
57.03455	1.7
57.07062	2.6
58.62378	1.5
59.14825	1.4
60.88554	1.6
61.02930	2.6
65.03960	2.2
67.05507	27.6
69.03430	8.6
69.07075	7.8
69.23996	9.9
69.24418	4.9
71.04990	3.8
73.85021	1.5
79.05489	12.3
81.03421	9.3
81.07060	26.1
83.04986	10.3
83.08614	7.3
85.02899	8.6
85.06522	5.1
86.03456	1.4
88.48219	1.4
91.05482	13.6
93.07040	23.4
95.04937	3.3
95.08602	15.8
97.02888	2.2
97.06506	2.7
97.10136	2.7
98.97567	2.5
99.04452	1.7
99.55805	1.5
105.07032	15.5
107.04947	2.0
107.08602	15.1
109.06515	6.3
109.10156	27.5
111.08076	4.1
113.09611	4.5
114.75827	1.4
119.08585	21.7
121.06515	3.8
121.10142	25.8
122.07293	3.4
123.08070	2.0
123.11719	7.6
125.09621	3.8
131.08603	2.8
133.10132	41.2
135.11707	9.0
137.09602	21.3
139.11191	3.6
145.10121	4.6
147.08058	3.2
147.11676	5.7
149.09601	4.8
149.13261	4.5
151.11188	9.2
157.10144	2.7
158.99658	2.1
159.11697	2.5
161.09616	6.5
161.13264	5.6
165.12695	2.5
173.11760	3.6
173.13240	2.5
175.11151	5.1
175.14825	19.1
177.12811	2.2
185.13232	3.3
189.12799	3.2
189.16354	2.0
193.12239	4.6
199.14827	2.0
201.16383	6.7
203.14333	4.8
211.13335	6.0
217.15831	4.0
217.19617	2.0
241.19505	5.0
245.06416	1.6
259.09625	2.8
259.20581	26.5
277.21625	100.0
278.22134	1.9
439.22409	48.8
439.27557	9.0
440.23117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2305
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.03948	0.5
55.01876	0.6
55.05515	2.2
56.96552	1.7
57.03424	1.2
57.07063	0.5
59.05004	0.9
61.02930	0.6
65.03929	0.8
67.05510	15.8
69.03434	1.8
69.07074	2.6
71.04972	1.5
73.02903	0.5
79.05499	3.2
81.02982	0.6
81.03425	5.6
81.07061	7.0
83.04950	1.5
83.08621	2.8
85.02918	4.0
85.06549	0.9
91.05495	4.5
93.07045	4.1
95.04971	2.5
95.08614	3.8
97.02877	1.7
97.06554	1.9
97.10172	0.6
98.97602	1.9
99.04457	0.4
105.07063	3.1
107.04972	0.8
107.08604	3.0
109.02839	1.1
109.06485	1.1
109.10162	11.6
111.04422	0.6
111.08101	2.0
116.98587	0.8
117.07046	0.4
119.08584	3.6
121.06489	0.6
121.10168	2.4
123.04400	0.7
123.08023	0.7
123.11716	1.1
125.05971	0.5
125.09631	0.7
127.03891	1.0
129.07011	1.1
131.04979	0.5
131.08545	1.5
133.06462	0.5
133.10146	2.0
135.11694	1.2
137.05928	0.6
137.09599	1.2
139.03912	0.8
139.11250	0.5
141.42593	0.4
143.08527	0.6
145.04897	0.4
145.10109	1.2
147.04402	0.9
147.08046	0.5
147.11707	1.9
149.09549	0.7
149.13242	0.8
151.07596	0.4
153.01884	0.6
155.10588	0.6
157.10091	1.5
158.99660	0.5
159.11691	0.7
161.09680	0.6
161.13182	0.6
163.03883	0.8
163.11131	0.5
165.09116	0.7
165.12720	0.7
173.11740	2.8
173.13092	0.6
175.11156	1.6
179.03252	0.7
191.03423	0.7
193.12257	4.8
201.16216	0.4
211.13312	5.5
215.07027	0.8
229.14290	0.9
243.08878	1.0
259.09595	1.3
267.09009	1.9
267.15891	1.0
277.14407	0.6
277.17499	0.7
277.21597	1.6
285.10052	2.8
287.11493	1.1
299.05411	0.5
319.15909	0.6
324.11414	1.5
324.61444	0.6
421.25967	0.7
439.22845	100.0
440.23227	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2307
Annotation	Tyr Arg Thr
Peak:m/z	Relative Intensity
53.67636	0.4
71.04994	0.4
71.54749	0.8
79.05521	0.6
81.07101	0.6
85.02927	0.5
91.05513	1.3
93.07053	0.7
95.08643	0.5
98.97616	0.9
109.02892	0.5
109.10138	0.5
114.24825	0.4
119.04978	0.9
121.10150	0.5
131.04977	0.5
147.04411	3.4
172.38644	0.4
185.04311	0.8
186.77336	0.6
203.05312	0.7
327.14243	0.6
336.39633	0.5
352.67474	0.4
369.18814	2.5
376.62830	0.5
391.22620	0.4
439.23325	100.0
440.23523	2.6
451.85501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1579
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
55.05507	0.7
56.96563	0.6
57.03442	0.5
66.28603	0.5
67.05499	0.6
69.03414	1.6
69.07058	0.7
69.72111	1.8
69.72519	0.8
70.06572	0.8
71.04980	0.5
73.02915	0.4
79.05486	0.8
81.03407	1.1
81.07039	1.0
81.56644	0.4
85.02907	2.7
85.06553	0.6
91.05488	1.9
92.05811	0.4
93.07034	0.9
94.12141	0.5
95.04984	0.9
95.08619	0.6
97.02895	1.6
97.06526	0.9
98.97592	1.5
99.04460	1.3
103.67692	0.5
105.07053	1.3
107.04952	3.4
107.08563	0.6
108.05322	0.8
109.02873	0.9
113.06017	1.2
119.04949	2.8
120.05289	1.4
121.10177	1.6
123.04436	0.6
124.07598	0.7
125.05992	3.8
126.06332	2.0
127.03922	1.1
130.08621	2.7
131.08937	0.9
137.05991	2.8
141.12747	0.8
145.04982	0.6
147.04420	11.4
148.04759	7.1
163.05930	0.6
163.11166	0.5
164.11612	0.6
167.07089	0.6
173.79745	0.5
174.05487	0.8
177.00673	0.5
179.07048	1.4
181.12248	2.5
182.12614	4.1
190.05011	1.1
191.05391	0.7
233.08167	0.5
241.14236	0.6
242.14693	1.0
259.11517	1.2
259.14307	0.9
276.09708	0.6
277.12573	2.1
291.08902	0.5
297.11441	0.5
307.11508	3.5
310.10056	1.3
387.97409	0.5
430.31519	0.5
439.15738	100.0
440.15982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2304
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
52.61187	0.4
58.78881	0.4
61.61609	0.4
67.25833	0.4
71.07972	0.7
90.37519	0.4
93.07044	0.5
107.08549	0.6
147.04335	0.6
156.39157	0.4
191.66869	0.4
201.03738	1.7
203.03391	0.8
203.05269	14.2
228.13652	0.5
259.16690	6.2
261.18289	8.2
277.17877	1.4
439.23083	100.0
440.23688	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44117	0.2
50.89592	0.2
69.97527	0.5
69.97920	0.5
81.07030	0.3
83.01097	0.4
91.85915	0.2
96.01875	0.4
113.02133	0.5
125.02209	0.3
127.03770	0.3
128.04509	0.3
141.05229	0.6
158.05566	0.4
169.04785	0.7
177.08882	0.3
180.63406	0.3
185.04190	0.3
186.04968	0.4
201.03728	0.5
203.05286	4.0
215.77956	0.3
217.99992	0.3
259.16718	3.0
277.17807	1.7
369.18848	5.9
439.23077	100.0
440.23431	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.158
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
56.96569	0.5
66.24577	0.3
67.05487	0.6
69.03429	0.5
69.07042	0.3
71.04973	0.5
71.54442	0.6
71.54783	0.4
73.02907	0.5
76.52094	0.4
79.05472	0.5
81.07056	0.5
83.01094	1.1
84.08143	0.4
85.02901	1.9
86.09726	0.5
91.05470	1.3
93.03419	0.5
93.07026	0.6
95.01104	2.5
95.08611	0.7
96.01830	0.6
97.02911	1.1
97.06510	0.5
98.97595	0.9
99.04401	0.4
105.07061	0.7
107.04964	0.6
109.06546	0.4
112.01340	0.9
113.02138	3.0
116.07102	0.7
121.02893	0.9
121.06505	0.4
122.95005	0.4
123.04456	1.0
125.06037	0.6
126.02874	0.5
127.03933	1.0
131.04927	0.9
137.19012	0.4
141.05281	0.5
145.05011	0.5
147.04442	0.6
157.04744	0.6
167.03131	0.8
167.07074	0.6
178.14719	0.4
181.04973	0.8
185.04190	3.8
191.07138	0.4
191.14482	0.5
201.03737	0.9
202.06038	4.0
203.05170	0.8
205.51089	0.4
246.14371	0.5
259.07895	0.9
259.10754	0.5
277.07120	0.5
277.10486	0.6
295.06314	0.5
307.06149	0.8
325.07050	1.5
347.09106	0.6
382.65872	0.5
421.10620	1.3
439.16107	100.0
440.16379	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.1
53.85323	0.9
55.01859	2.4
55.05505	1.0
57.03436	1.5
61.02921	1.1
65.03922	1.6
67.05497	4.9
69.03423	2.1
69.87646	0.8
70.06599	2.0
71.01363	1.1
71.04977	1.9
71.54546	1.4
77.03937	1.5
79.05497	4.4
81.03407	2.9
81.07043	2.5
85.02888	3.6
91.05469	2.5
93.03417	1.3
93.07030	2.4
95.04974	53.8
95.08600	2.5
97.02879	3.0
98.97571	2.5
101.06024	1.6
102.06326	0.9
105.04509	3.1
107.04969	25.4
107.08601	1.8
108.02087	1.8
109.02882	2.1
109.10138	1.7
111.04466	2.2
119.08521	0.9
120.08111	1.8
121.06495	1.7
123.04435	66.5
123.08065	2.2
125.05946	1.7
126.80006	0.9
127.03904	2.2
127.07510	1.4
129.10307	1.0
131.05026	1.0
135.04431	1.7
137.05966	2.3
139.03905	3.3
139.07536	1.0
140.04691	20.9
141.05441	1.1
147.04448	2.9
149.05940	1.3
151.03911	27.0
151.04996	1.5
151.07483	1.1
153.05460	2.1
155.07048	35.0
163.03891	1.6
165.05447	2.6
165.70314	0.9
167.07057	17.5
171.06517	2.3
177.05467	3.8
178.06226	3.1
179.07005	3.3
182.79884	1.1
183.06540	100.0
193.05081	1.2
195.06511	4.4
196.07315	1.0
207.06419	0.9
225.07596	12.2
243.08653	1.9
251.92491	0.9
252.98239	0.9
271.41101	0.9
277.07059	3.9
277.11029	1.0
329.10199	1.1
432.53760	1.0
439.10504	3.7
439.16324	21.7
439.23016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1365
Annotation	Kotanin
Peak:m/z	Relative Intensity
50.46318	0.3
55.01884	0.4
55.05499	1.0
56.96561	0.6
61.02924	0.6
65.03931	0.5
67.05507	2.9
69.03419	1.1
69.07063	1.0
71.05005	0.5
71.54577	0.5
79.05479	1.1
81.03404	1.6
81.07053	1.6
83.04989	0.5
83.08611	0.6
84.70994	0.4
85.02894	1.6
91.03922	0.5
91.05485	4.2
93.07017	1.4
95.04966	1.1
95.08589	1.2
97.02893	0.8
105.03391	0.7
105.07030	1.6
107.08598	1.4
109.02856	0.9
109.10160	2.4
111.08070	0.4
115.15903	0.4
117.03359	0.8
119.04958	0.6
119.08557	1.2
120.08145	0.7
121.10155	1.0
123.04398	0.5
123.11668	0.5
127.03922	0.9
131.04869	0.4
131.08537	0.5
133.10129	0.8
135.08173	0.4
135.11659	0.5
138.25790	0.4
139.03905	1.0
145.02837	1.2
147.04410	1.4
147.11678	0.6
149.09625	0.5
151.03893	0.6
161.05986	0.6
163.03844	0.7
177.05469	3.7
193.12315	0.9
195.03069	0.4
203.05382	0.6
204.46452	0.4
211.13289	0.9
241.32410	0.5
243.58943	0.6
259.16730	1.9
267.09018	2.5
268.09363	0.9
275.08936	0.8
277.17780	1.7
285.10010	2.7
286.10434	1.0
323.40634	0.4
324.11496	1.3
324.61743	0.7
325.11508	0.7
439.13556	100.0
439.22940	46.5
440.13950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3264
Annotation	Stolonic acid B
Peak:m/z	Relative Intensity
55.05513	15.7
57.07085	15.5
63.08023	2.3
65.74397	1.9
67.05515	12.4
68.99812	1.9
69.07072	20.1
71.08635	10.1
71.55106	2.3
72.04514	2.2
79.05479	6.7
80.33022	1.8
80.99870	2.0
81.03407	2.6
81.07057	16.3
83.04963	2.3
83.08624	13.5
85.10182	6.0
86.33887	2.0
89.06005	2.7
93.07056	10.0
93.45067	1.8
95.08616	15.8
97.06524	4.1
97.10155	11.3
107.08599	6.9
109.10142	8.2
111.08057	4.5
111.11698	3.0
121.10132	6.8
121.19577	1.8
123.04401	4.1
123.11707	2.7
125.09636	4.0
127.03923	100.0
129.09059	2.2
135.11690	6.7
137.05934	6.2
139.03914	30.2
139.11171	3.2
145.10046	1.9
149.13271	4.7
153.01839	72.9
153.12697	3.8
155.03395	11.3
163.14810	5.5
165.05453	5.9
177.16272	3.0
181.05009	2.1
181.15898	3.2
191.17981	2.7
198.66699	1.9
239.14975	2.1
275.27301	5.3
293.28403	7.1
419.31754	5.8
437.19391	2.7
437.34039	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	439.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
56.57113	1.5
56.96581	2.3
57.48919	1.6
61.02919	1.7
67.05512	4.1
68.99788	5.1
69.03431	3.8
69.07041	1.7
71.04992	2.6
71.54462	2.2
73.02889	2.7
79.05479	2.8
81.03416	3.5
81.07064	3.5
84.04500	2.8
85.02888	13.6
91.05472	3.8
95.04955	4.9
97.02887	8.3
98.97575	5.9
100.95070	1.6
105.03375	2.9
105.07043	2.2
107.04951	4.1
109.02866	5.4
111.00819	2.5
111.04427	3.0
116.98605	2.5
119.04936	3.2
121.02892	5.2
121.06547	1.7
123.04429	100.0
127.03899	7.8
128.98586	2.7
131.04929	3.3
135.04395	9.7
137.02321	10.4
137.06009	2.5
139.03903	22.6
145.04901	2.0
146.86240	2.0
147.04411	7.8
149.05995	4.0
151.03905	15.3
157.71523	1.7
161.06027	3.5
162.41318	1.6
163.03906	16.8
165.01862	11.3
165.05489	5.9
167.03413	5.4
171.07605	2.1
173.05887	3.0
175.03896	2.3
177.05481	5.4
179.03375	8.1
181.04941	4.0
189.05464	4.2
191.03375	10.5
193.04970	6.1
203.03526	2.7
205.04982	7.8
207.02855	1.7
209.04378	2.8
213.05502	2.2
217.04950	9.3
219.01828	3.6
221.04527	3.5
229.03177	26.3
229.05124	3.3
233.04399	7.8
233.07870	7.0
234.15858	1.9
235.06061	8.9
237.02823	4.3
241.04790	2.2
245.04651	3.6
253.07091	2.5
255.06519	2.2
263.05530	4.1
269.06604	9.7
271.06018	6.4
275.05649	1.8
281.06610	5.8
283.05960	2.1
285.07538	4.1
289.07083	4.0
295.06281	2.1
303.06525	2.1
306.40451	1.9
311.05511	2.4
313.06989	5.4
314.87515	1.9
325.07120	3.5
343.08099	3.7
355.08224	4.5
367.07901	5.7
379.09930	6.5
385.09058	10.2
397.04297	3.6
403.10254	10.7
421.11142	2.3
435.48883	1.9
439.11221	13.3
439.15649	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1577
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
61.84105	0.4
62.09349	0.3
65.24498	0.4
66.25460	0.4
67.05491	0.8
67.88952	0.3
69.03431	0.6
70.06603	0.9
71.54394	0.7
79.05482	0.7
81.03393	0.4
81.07050	0.6
85.02912	0.8
88.13592	0.4
91.05461	1.2
93.07061	0.9
95.04967	0.8
98.97587	0.8
105.07052	0.7
107.04973	1.6
107.08559	0.7
119.04944	1.4
120.05331	0.7
121.10195	0.7
129.48769	0.4
130.08629	1.0
137.05962	0.7
147.04416	4.3
148.04784	2.3
163.05913	0.4
181.04868	0.5
183.06599	0.5
202.27078	0.4
213.07433	0.6
236.08083	0.6
237.02997	0.5
245.08698	0.4
261.18066	0.4
276.12344	0.7
277.12668	1.2
307.11346	1.3
316.57047	0.5
325.11163	0.5
376.55029	0.4
425.54633	0.4
439.15775	100.0
439.22552	3.5
440.16122	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1445
Annotation	Nothofagin
Peak:m/z	Relative Intensity
50.46936	0.4
52.80772	0.3
53.03935	0.6
55.01863	0.6
57.03442	0.4
61.03734	0.3
69.03439	0.6
69.38164	2.4
69.38567	0.8
79.05496	1.1
81.03412	0.7
85.02890	2.5
91.05443	0.4
93.07073	0.4
94.14477	0.3
95.04909	0.5
97.02874	0.5
103.03944	0.4
105.04498	0.5
105.07009	0.4
107.04956	100.0
107.15650	0.3
108.05307	0.9
109.02876	1.1
119.04987	0.4
121.06557	0.7
123.04435	1.0
131.04953	0.6
139.03899	1.9
147.04362	1.0
149.05984	1.3
151.03897	3.9
156.34151	0.4
163.03941	2.4
165.05463	0.9
169.04979	1.0
173.05984	0.5
175.03947	1.0
179.06987	0.4
181.04958	4.6
187.04001	0.5
189.05476	0.8
193.04971	7.4
205.04980	2.6
207.06580	1.9
211.06030	3.8
217.04971	0.5
229.05060	1.2
235.06000	5.9
241.05028	0.9
247.06076	4.3
252.09337	0.7
259.05954	2.7
275.09024	2.8
277.07162	1.6
287.05789	0.6
287.09122	6.1
290.23007	0.4
295.08139	0.6
299.09134	3.7
317.06622	0.6
317.10214	8.8
335.09039	0.9
341.10193	12.4
353.10220	9.0
365.10120	4.4
371.11325	0.6
383.11221	2.9
401.12198	1.8
419.13181	0.4
437.12967	1.7
437.21841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08875	0.5
56.00059	0.5
56.96557	0.6
57.41852	0.5
69.03429	1.0
69.73315	3.2
70.06603	1.0
85.02892	1.6
91.54951	0.5
97.02885	1.3
98.97571	3.0
107.04960	1.0
111.46864	0.5
123.04507	0.9
127.03857	0.8
128.98528	0.6
135.04396	0.7
139.03902	1.8
145.04919	0.6
163.03920	1.6
177.00751	0.9
187.05785	1.1
219.01805	1.1
237.02831	1.1
246.28879	0.6
321.11542	6.1
437.16312	100.0
438.16739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01864	8.5
55.05504	17.5
56.96560	14.3
57.03448	5.7
57.07061	6.9
57.10712	4.7
57.52628	4.5
61.02918	4.9
67.05505	53.2
67.07623	4.3
68.62254	4.5
69.03429	23.4
69.07067	24.2
71.04980	20.5
71.38935	11.2
79.05516	24.6
81.03415	21.8
81.07052	46.6
83.04993	14.1
83.08627	16.1
85.02900	23.6
85.06544	16.3
87.31384	4.7
91.05467	34.1
93.07053	46.3
95.04981	13.5
95.08612	53.6
97.02898	10.8
97.06531	9.3
97.10160	8.8
98.97585	11.1
99.04430	6.9
105.07050	41.2
107.04955	18.9
107.08578	40.0
109.01942	5.7
109.02878	17.5
109.06521	26.2
109.10153	51.3
111.04450	4.9
111.08064	25.5
117.07006	12.1
119.08580	52.5
121.06523	5.7
121.10153	45.2
123.11728	29.1
127.03938	10.7
131.08559	35.6
133.10150	41.0
135.08066	36.6
135.11697	19.2
137.05975	9.1
137.09631	23.8
137.13248	5.3
139.03810	7.4
142.07780	8.5
143.08553	19.1
143.71078	5.0
145.10133	49.2
147.04503	10.6
147.11694	14.0
149.09621	11.9
149.13322	5.7
151.07600	5.5
151.11147	5.0
155.08614	7.0
156.09335	6.0
157.10144	31.8
158.10930	10.7
159.07976	7.6
159.11717	45.9
161.13248	9.1
163.03941	6.3
163.11157	13.7
165.09122	5.1
169.10205	12.3
171.11717	15.0
173.09683	6.4
173.13260	59.0
174.13982	7.5
175.11194	12.3
175.14862	11.3
177.12790	12.0
183.11717	17.1
187.14857	17.4
189.12766	6.9
197.13293	6.2
199.14798	27.0
201.12796	20.1
213.16454	11.6
215.17859	5.7
217.15965	7.1
239.17998	22.7
257.19061	72.9
275.20111	100.0
323.10379	5.6
419.28314	7.4
437.20331	22.3
437.25186	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	437.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.2
55.01895	6.0
55.05505	36.2
56.96547	7.9
57.03440	6.1
57.07067	11.1
59.05006	7.7
67.05511	67.6
68.85760	5.3
69.03446	32.8
69.07080	42.5
71.04992	27.7
71.13010	5.8
71.54218	9.1
73.02922	6.0
75.72320	5.2
76.04964	5.3
79.05492	35.8
81.03430	27.9
81.07063	59.1
83.04994	18.0
83.08618	15.5
85.02901	31.1
85.06544	19.4
91.05491	38.0
92.77688	5.9
93.07044	64.0
94.96925	6.2
95.04986	15.7
95.08607	64.0
97.02887	17.9
97.06535	11.9
97.10189	13.0
98.97575	8.6
105.07027	54.8
107.04952	13.5
107.08598	55.9
109.02876	18.2
109.06501	28.3
109.10165	51.4
111.04469	8.7
111.08067	17.9
112.10613	5.8
115.45489	5.7
116.98617	7.1
117.07035	19.6
119.08587	65.3
121.06516	9.1
121.10149	64.7
123.04414	8.1
123.08054	10.8
123.11690	21.0
123.94263	5.6
125.09648	5.8
127.03902	14.6
129.06992	11.3
131.04935	7.3
131.08566	40.5
133.10144	53.3
135.08060	48.2
135.11707	23.9
137.06021	7.3
137.09634	15.4
142.07736	11.0
143.00194	5.8
143.08580	22.0
145.10123	49.6
147.04420	13.1
147.08090	5.9
147.11685	21.0
149.09624	15.9
153.01913	6.4
155.08562	9.5
156.09375	7.1
157.10153	48.3
159.11722	64.8
161.13388	6.6
163.11258	13.3
169.10127	10.9
171.11703	21.3
173.13261	93.7
173.78247	6.4
174.13966	13.7
175.11229	16.2
175.14850	14.1
177.12720	10.8
183.11713	29.4
187.11282	7.9
187.14804	24.1
189.12828	11.2
191.14342	16.9
197.13287	22.6
199.14795	33.9
201.12715	25.4
205.24654	5.5
213.16368	16.8
215.01973	6.0
215.17918	9.2
217.15880	10.3
219.13829	9.5
234.08331	6.0
237.02713	7.5
239.17986	30.3
253.50566	5.5
257.18997	84.0
275.09067	8.5
275.16708	10.7
275.20062	100.0
285.10071	10.1
401.26865	8.2
419.23560	8.0
437.13019	7.8
437.20120	31.8
437.25476	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	436.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.1
57.98911	1.3
67.05515	4.4
69.03440	3.0
69.07066	2.9
70.67072	3.0
70.67423	2.2
71.04997	5.3
71.86715	1.3
79.05498	4.7
81.07070	23.6
83.08611	1.9
85.02910	2.5
86.73799	1.6
91.05497	3.2
93.07047	13.8
95.08609	12.0
97.10174	1.4
99.08117	1.9
105.03381	2.1
105.07018	12.5
107.08604	15.6
109.10162	11.1
119.08598	14.6
121.10153	10.6
123.11718	4.7
127.03941	2.2
127.11194	4.8
133.10139	7.9
135.11697	22.0
143.10687	6.2
145.04984	1.6
146.06082	1.6
147.11700	8.9
161.13269	2.9
163.14815	1.6
163.77148	1.5
167.10675	3.1
174.05476	1.7
174.82114	1.3
184.95847	1.3
203.17987	18.4
221.19012	20.0
311.14749	2.1
320.45871	1.4
350.13174	3.2
391.13596	2.1
392.13998	31.4
436.12997	100.0
437.13394	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.0
59.05000	5.6
64.34578	2.8
67.05499	7.0
69.03426	5.5
69.07078	10.2
71.04987	11.7
71.12443	5.0
79.05516	17.8
79.31721	2.4
81.07061	68.2
85.02910	7.1
87.04481	3.7
91.05480	16.8
93.07053	40.8
95.05003	3.2
95.08613	24.2
97.02917	6.8
99.08134	5.8
105.05489	4.6
105.07037	32.7
107.08608	52.6
109.02933	3.4
109.10162	30.4
109.96663	3.3
116.69298	2.7
119.08591	56.5
121.10166	14.7
123.11709	19.6
124.03988	4.9
125.09665	5.0
127.03922	7.7
127.11236	17.7
133.10146	30.9
135.11700	100.0
137.13309	4.5
143.10715	20.0
145.04987	5.4
146.06003	3.0
147.11710	18.1
149.13300	6.4
151.11122	3.2
153.12773	7.2
161.13194	15.1
181.05008	9.6
182.05370	5.5
203.17958	62.8
221.19028	58.1
407.17590	3.9
418.15582	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	437.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99525	5.3
55.01888	9.7
56.96570	67.9
57.03440	15.8
61.02924	18.9
66.20326	4.7
67.05487	5.5
69.03437	42.5
69.23806	54.9
70.98110	6.4
71.04978	6.9
71.95251	7.7
73.02930	18.6
77.00868	6.0
81.03422	14.0
84.96044	17.2
85.02908	100.0
86.03215	8.3
87.04472	12.1
91.03958	9.1
91.05474	5.7
94.39185	5.5
95.04991	5.2
97.02892	53.1
98.03223	7.3
98.97585	77.7
99.04433	6.0
100.89679	4.5
100.99162	7.0
101.00891	51.4
104.88604	5.5
107.04944	15.5
109.02885	8.4
110.97573	17.0
112.99142	10.2
113.00865	14.3
115.02399	11.0
116.98591	41.1
119.01920	85.9
121.01676	8.0
123.04403	11.0
124.99149	14.7
127.02428	10.3
127.03897	49.5
128.98595	11.9
131.00200	11.9
131.01917	42.1
133.03465	23.9
134.99693	6.6
135.03300	8.3
137.06041	6.4
139.00714	6.3
140.02246	6.0
141.02213	11.8
143.00201	32.3
143.01897	83.1
144.98131	9.0
145.01675	11.4
145.03473	22.9
145.04980	23.5
146.99669	13.2
147.03247	8.1
147.05104	8.9
154.03825	25.4
155.01941	27.8
157.03471	39.4
158.99707	19.8
159.01445	8.5
159.03281	9.9
159.23550	6.7
161.01254	22.4
161.02974	91.4
163.02763	17.9
163.04382	43.4
165.00797	7.2
167.00160	8.2
167.01993	7.1
167.34276	5.1
169.01700	6.3
169.03461	21.1
170.99614	8.8
171.05045	12.9
173.01498	9.3
173.02980	55.9
173.06615	21.6
174.99181	13.3
175.00894	8.7
175.02832	9.7
175.04483	26.0
177.00751	14.6
177.02457	24.8
177.04124	9.6
178.04982	6.5
179.02116	6.5
183.05031	10.3
184.04863	6.7
185.01251	44.4
185.02954	34.1
185.06604	18.8
186.99228	10.9
187.01051	7.6
187.02782	20.9
187.04529	17.9
188.97147	6.2
189.00746	10.9
189.02405	6.1
189.04317	8.3
189.06030	8.3
190.98621	6.0
191.02354	10.4
191.04021	19.5
192.05554	7.8
193.00232	10.5
197.02979	11.2
197.06583	9.1
199.02832	8.5
199.04587	9.3
201.00772	12.6
201.06055	10.6
203.02281	24.7
203.04063	33.6
203.07690	13.0
205.00247	16.8
205.01981	11.9
205.03683	6.4
206.98116	7.8
213.00674	11.3
213.06152	11.9
215.02223	7.2
217.00128	8.4
217.05540	12.6
219.01762	27.4
219.03642	13.5
221.05028	40.3
223.01141	8.2
229.03777	7.6
231.01704	33.0
231.07176	49.2
232.99663	9.9
233.03345	8.3
235.06517	37.4
237.02834	23.2
239.06140	21.1
241.05768	7.3
243.07199	21.2
244.07104	48.7
245.05052	51.9
247.03072	9.9
248.99167	13.4
249.02771	11.5
255.07326	8.8
257.05154	12.4
259.06543	23.1
261.08313	16.2
263.00696	6.8
263.06198	60.9
264.07465	8.7
267.00146	7.0
273.08228	20.4
275.06006	7.7
277.07697	25.3
279.05609	17.7
281.02026	6.7
285.08084	11.1
289.04175	5.4
289.07846	6.7
291.04138	7.8
291.09348	23.5
293.05212	8.2
303.09210	14.8
307.05075	10.4
307.08777	14.7
309.03043	13.4
319.08829	22.9
321.10278	8.2
325.09619	21.3
331.03409	6.8
333.10455	18.9
349.00830	13.3
351.11319	14.7
359.02939	17.9
393.12210	7.0
437.10321	9.3
437.14798	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	436.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.4
55.35410	2.8
56.96569	3.0
57.03440	3.2
61.02932	4.5
69.03429	16.9
69.99782	14.0
70.06604	4.8
71.04973	3.7
72.08154	3.2
73.02925	5.9
74.06061	4.0
74.09721	4.6
79.05470	3.6
81.03408	6.2
85.02908	35.8
87.82806	2.9
89.06044	5.6
91.05473	9.8
97.02876	11.4
98.97561	7.6
99.04416	3.4
103.05445	3.3
105.03392	3.7
105.07033	10.2
107.04964	41.2
107.08572	3.2
109.02902	6.3
111.22670	2.7
115.05461	4.6
117.07009	9.5
119.04941	16.0
120.97192	2.6
121.02892	6.9
123.04416	4.4
124.07577	5.6
127.03953	8.4
129.06981	5.4
131.04932	66.2
131.08562	2.7
133.05789	2.5
133.06508	31.0
133.10083	4.0
135.04404	10.4
137.05930	4.1
139.03792	3.2
139.53616	2.7
144.06430	3.1
145.02863	4.0
145.04922	5.1
145.06485	45.6
145.72237	2.9
147.11635	3.1
154.05017	3.3
154.76485	2.8
157.06480	17.6
159.04425	21.0
161.05980	100.0
163.03917	4.6
173.06062	5.2
173.13312	7.7
175.07518	5.6
177.05513	14.8
184.57089	3.6
185.05934	14.7
191.14183	3.8
203.07039	89.6
219.01624	3.5
221.08105	35.1
227.09196	3.4
237.02765	3.5
239.09138	5.6
242.28065	3.0
272.05331	3.3
436.16232	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	436.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
56.05042	6.4
57.03436	1.9
69.03437	2.5
70.06604	2.2
71.04993	1.3
71.53911	1.0
73.02952	0.6
74.06085	100.0
74.92286	0.6
79.05479	0.9
81.03417	2.5
81.07076	1.2
83.04975	0.9
84.04494	3.2
85.02902	3.2
86.06078	1.5
89.06046	2.4
91.05500	0.7
95.04975	1.9
97.02911	4.5
98.06058	10.9
98.97611	0.9
99.04484	1.3
102.05550	3.9
105.07071	0.7
107.04989	2.3
107.08638	0.7
109.02877	4.9
109.06558	0.6
116.07100	49.8
116.16190	0.5
120.06596	12.7
121.02887	8.5
123.04474	1.3
123.08112	0.6
127.03939	3.3
131.07108	1.1
133.10184	0.7
139.03911	2.4
144.06572	64.1
145.04965	2.8
151.11217	0.5
162.07642	6.2
167.07014	0.6
212.81801	0.5
228.08778	2.1
234.09996	0.7
240.08678	1.0
246.09825	1.8
264.10938	0.7
265.07150	1.1
270.09775	13.8
283.05435	0.5
283.08014	2.6
286.12799	0.5
288.10791	10.8
288.13861	0.6
306.11853	5.7
316.58344	0.5
323.86383	0.5
388.15543	0.5
395.13541	0.8
418.17194	5.1
436.18597	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03958	5.2
55.05504	2.8
56.96568	2.1
57.03439	5.2
59.05010	5.5
65.03935	3.4
67.05496	4.3
69.03441	14.8
69.07052	1.7
70.41814	1.7
71.05001	6.1
71.05357	3.5
71.05688	2.8
75.04484	5.6
79.05499	30.8
79.84296	1.4
81.03423	12.1
81.07066	11.0
84.96024	2.4
85.02912	15.1
87.04490	8.4
91.05484	19.0
93.07051	100.0
94.07346	1.9
95.04992	4.5
95.08618	8.2
97.02888	12.0
97.06536	2.4
98.19515	1.7
98.97581	4.9
99.04459	3.9
102.69488	1.7
105.05524	4.1
105.07034	11.9
107.04967	18.7
107.08604	38.1
109.02893	5.9
109.10126	3.4
111.04454	2.1
111.08084	7.3
117.07013	2.9
119.04973	10.3
119.08587	8.3
121.06513	3.3
121.10149	85.2
123.11639	2.4
125.06004	2.6
125.09633	2.6
127.03954	13.2
131.08574	5.7
133.02867	5.0
133.06462	2.5
133.10178	2.4
135.08032	4.0
135.11716	12.9
137.05980	3.9
139.11197	3.7
143.02110	2.2
145.04979	6.3
145.06465	2.4
147.04416	45.9
148.04813	3.7
149.09605	19.7
153.12785	1.9
158.26318	1.9
161.06114	3.2
165.05411	2.8
167.07022	8.9
167.10689	29.6
168.07430	4.1
181.04948	12.8
181.08630	2.1
182.05324	5.6
189.05342	2.0
211.17014	2.1
224.10265	2.0
231.08578	2.4
231.75095	2.2
233.08179	4.7
234.08466	8.1
239.02367	2.0
239.16492	2.4
239.84953	1.6
249.09682	4.0
250.39664	2.2
264.09683	2.0
265.14334	2.0
293.13803	8.1
309.45776	1.7
311.14917	31.8
329.16174	2.5
393.74844	2.1
418.15692	5.6
436.16470	4.4
437.23758	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	435.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
60.77357	1.3
66.46404	1.4
67.05503	3.2
69.03437	11.0
69.07072	3.5
69.79850	2.9
69.80254	5.4
71.04993	22.6
73.02909	11.2
79.05499	2.8
81.07060	14.2
83.04990	1.4
83.08611	1.7
85.02899	2.3
91.05462	5.4
93.07047	7.4
95.04959	4.0
95.08620	5.4
97.02905	2.0
97.06531	3.4
97.10154	1.6
98.21397	3.1
99.08086	3.9
105.07032	9.8
107.08601	9.7
109.06545	10.6
109.10175	7.5
111.00763	1.7
117.06983	2.3
119.08560	4.8
121.10159	4.5
123.11706	5.6
125.09647	5.0
126.02273	1.3
127.07560	2.9
127.10303	2.3
127.11202	38.1
133.10139	20.5
135.11673	2.4
137.02335	3.7
139.11250	1.7
143.10664	8.8
145.10124	12.0
147.11703	2.2
151.11183	38.2
153.01828	2.2
155.10677	17.0
159.11655	4.0
181.03542	1.5
181.04985	1.5
201.16391	5.7
219.17458	7.7
229.04974	4.1
237.18495	100.0
255.19572	4.2
257.04477	4.0
303.05005	95.9
304.05228	2.2
435.12589	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	435.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08505	2.0
53.03929	2.6
55.05515	5.5
56.96560	2.3
57.03421	3.4
65.03937	3.9
67.05511	17.5
69.03110	2.9
69.03433	19.4
69.07074	6.2
69.91426	11.2
71.04994	22.4
73.06575	2.0
79.05486	6.5
79.56569	2.2
81.03406	3.3
81.07059	34.6
83.04967	3.2
85.02891	8.3
91.05473	6.7
93.07043	22.0
95.04987	19.9
95.08627	10.4
97.02878	5.9
98.97590	5.6
99.08085	3.6
105.07027	16.9
107.04942	6.5
107.08564	14.6
109.06529	17.3
109.10157	28.9
110.97588	2.4
111.08093	3.5
117.06973	3.2
117.17165	2.3
119.08573	6.8
121.10129	8.6
123.04467	4.9
123.08089	2.4
123.11722	27.9
125.09618	4.2
127.03925	5.0
127.07612	2.9
127.11184	30.2
131.08574	5.1
133.10138	42.8
135.11653	2.8
137.05986	3.2
139.11185	2.9
143.10658	11.3
145.10127	13.5
146.06000	3.1
147.04385	6.5
151.11188	100.0
155.10687	16.6
159.11667	4.9
163.11253	2.4
167.07031	8.7
181.04924	14.1
188.07095	2.5
201.16367	7.4
219.10078	2.4
219.17461	8.9
233.08118	8.7
237.18492	86.5
255.19720	3.7
259.90518	2.6
303.04898	8.5
387.14273	2.7
435.12259	66.3
435.20868	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	435.1654
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
65.03958	7.0
67.05503	2.3
69.03428	3.8
70.04488	1.1
70.20190	3.4
79.05497	7.1
81.03409	4.5
81.07037	1.5
82.04207	2.5
85.02911	5.5
90.13706	1.0
91.05476	6.5
93.03399	2.6
93.07071	1.1
95.04951	3.1
97.02921	1.6
97.06527	2.8
98.97578	1.0
104.37669	1.1
107.04968	18.1
108.02039	1.2
109.02889	1.3
110.03635	3.8
115.05474	3.1
117.07022	4.9
119.04913	1.3
123.04441	3.7
124.05231	3.2
125.05978	3.2
127.03931	6.6
128.06310	1.2
129.06987	2.2
130.04144	1.0
131.04933	1.4
131.08504	2.4
133.06474	2.5
137.05974	1.4
138.03108	1.2
141.06985	2.9
142.02596	2.8
144.05702	3.6
145.06483	6.6
147.04442	7.0
147.08035	1.2
152.04649	1.7
153.05498	4.3
155.06047	2.5
157.06451	2.2
159.08047	4.1
160.08827	1.4
161.05997	3.1
167.07051	47.0
171.06551	3.6
172.05191	6.4
173.06047	5.6
174.57759	1.2
175.07523	2.5
181.04973	100.0
185.03285	1.1
185.05992	1.5
187.07526	7.3
189.05518	3.0
191.07140	1.1
191.10634	4.0
195.06596	1.8
200.04745	2.5
201.05490	7.3
205.08572	3.4
206.05666	2.8
207.06482	1.4
209.08061	1.2
217.08665	2.4
218.05713	6.6
219.10153	4.5
221.08023	7.8
233.08093	51.8
235.07564	1.3
235.09654	3.0
245.08000	2.2
247.86008	0.9
251.09227	5.6
253.40152	1.0
263.09241	12.5
279.09967	2.3
295.09320	1.3
323.08966	1.9
339.12244	2.0
355.11786	2.3
356.12546	1.7
367.11646	2.5
372.12167	2.0
381.13309	3.1
387.14590	8.1
399.14343	6.7
414.48743	1.2
417.10162	2.0
417.15460	30.4
435.15649	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	435.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01865	1.2
57.03448	1.1
57.03743	0.8
60.53745	0.8
65.03947	6.4
67.05507	3.1
69.03435	6.3
69.07080	1.4
69.73225	3.0
71.04988	0.9
73.02905	0.8
79.05502	7.4
81.03425	4.8
81.07052	2.4
82.04213	2.5
85.02911	7.3
91.05485	5.1
93.03424	2.3
93.07043	2.1
95.04971	3.7
95.08598	1.9
97.02905	3.2
97.06546	3.3
98.21473	1.7
98.97601	3.4
103.05492	1.5
105.07028	2.2
107.04958	16.2
107.08578	2.1
108.02081	1.3
109.06521	1.0
109.10168	1.2
110.03675	3.7
111.04429	1.3
115.03931	1.2
115.05462	3.4
116.06256	1.6
117.07026	4.4
119.04996	1.4
119.08641	0.8
121.02875	2.8
121.06489	1.3
121.10166	1.0
123.04448	2.7
124.05202	2.8
125.05987	2.7
127.03934	7.3
128.06256	1.5
129.07007	2.0
131.04930	1.9
131.08592	3.1
133.06522	1.9
135.08026	0.8
135.11693	1.3
137.06003	1.5
138.03134	1.8
139.03928	1.2
141.06976	2.3
142.02612	3.7
143.10678	0.9
144.05748	3.7
145.06522	8.5
145.10133	1.1
147.04427	6.0
147.08086	1.3
149.06018	1.3
151.03978	0.9
151.11211	1.8
152.04698	1.5
153.05478	4.0
155.06041	1.1
155.10677	1.6
157.06517	3.4
158.99611	1.3
159.04524	0.9
159.08057	3.9
161.05975	4.4
166.02589	1.4
167.07056	47.5
171.06552	2.9
172.05219	5.1
173.06009	4.6
175.07530	2.7
177.09143	1.8
181.04971	100.0
185.06081	1.1
187.07581	8.0
189.05522	2.7
191.07018	1.5
191.10696	3.3
191.14366	1.2
195.06546	3.0
200.04770	1.9
201.05478	6.1
202.06270	1.0
203.08218	1.6
205.08609	4.4
206.05800	2.8
207.10233	1.0
217.08655	2.0
218.05618	3.8
219.01649	1.2
219.06544	0.9
219.10173	6.0
221.08101	6.3
233.08093	47.3
235.09700	2.1
237.02888	0.9
237.18501	2.3
245.08167	3.2
248.26488	0.9
251.09184	3.7
255.11371	1.3
258.09824	0.9
263.06989	1.3
263.09232	10.7
271.06079	1.2
272.06400	0.8
273.06677	1.4
273.12378	6.7
275.07214	0.8
289.11227	0.9
307.09656	1.7
323.09106	1.9
335.09296	1.2
337.07077	0.8
339.12509	1.7
355.11664	2.6
367.11786	2.0
371.14896	1.3
372.12042	1.3
381.13361	2.2
384.11963	0.8
387.14417	11.6
394.94302	0.8
399.14346	7.5
417.15466	26.1
417.21054	1.5
420.84662	0.9
435.16324	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01868	3.0
55.05506	2.2
57.03429	1.2
65.03951	7.3
67.05522	4.5
67.15807	0.7
69.03438	6.0
69.07044	1.0
69.39168	1.7
69.39578	5.3
71.05000	1.2
75.04474	2.4
75.53075	0.9
78.04693	1.6
79.05501	8.3
81.03417	6.1
81.07054	3.5
82.04198	1.4
83.08611	1.5
85.02911	8.3
85.08607	0.8
88.01563	0.8
89.18969	0.9
89.67870	0.8
91.05489	10.5
93.03407	5.7
93.07042	5.7
95.04973	4.6
95.08606	1.5
97.02898	1.7
97.06528	3.4
98.97576	1.1
99.04462	1.0
100.11285	2.0
102.65819	1.0
103.05447	2.8
105.07027	1.6
106.04192	12.5
107.04304	1.6
107.04968	18.8
107.08612	2.8
108.02074	1.2
109.02887	2.2
109.06514	1.6
109.10128	2.4
110.03646	3.4
111.04433	2.1
111.08068	1.2
115.05440	2.8
117.07021	4.5
119.04959	4.1
119.08578	1.9
121.06508	11.7
121.10112	3.3
123.04450	5.1
123.08027	1.0
124.05222	3.9
125.05991	6.5
127.03091	1.2
127.03907	5.1
129.07024	2.7
131.04913	1.7
131.08575	2.0
132.05742	0.9
133.02812	1.5
133.06497	2.4
134.03603	1.8
135.04387	1.3
135.11696	1.0
137.05962	3.6
137.09557	1.0
138.03113	1.6
138.06833	1.2
139.07503	1.4
141.06982	1.2
142.02603	2.8
144.05687	3.3
145.06488	5.9
146.05997	1.2
147.04411	6.7
147.08105	1.0
149.05997	19.4
149.09575	1.1
151.03844	1.3
151.07573	1.5
151.11195	0.9
152.04706	1.4
153.01831	10.9
153.05487	3.1
153.09122	6.3
155.04906	1.5
155.06004	1.6
155.07080	1.4
157.06493	2.7
159.08058	3.2
160.08701	0.9
161.06003	4.5
162.06612	0.9
163.03914	1.1
163.07588	1.2
163.11230	1.5
165.05496	1.9
165.09082	1.1
166.02586	1.2
166.06194	0.9
167.07050	44.8
171.06572	3.1
172.05222	5.9
173.05972	4.4
174.05467	1.4
175.07602	1.6
177.05521	11.2
181.04971	100.0
181.08499	9.2
181.12296	1.7
187.07495	7.1
188.08211	0.9
189.05493	1.2
190.06067	1.3
191.07065	2.6
191.10661	2.1
195.06491	1.5
200.04683	1.6
201.05434	5.5
202.06180	1.2
203.07076	1.4
205.08633	3.2
206.05739	3.1
207.06526	2.0
208.07338	1.4
209.08099	33.6
210.14835	1.6
217.08669	2.5
218.05737	5.1
219.10126	5.9
221.06226	1.1
221.08058	6.2
225.07668	2.2
233.08099	43.1
235.07579	1.3
235.09691	2.1
245.08160	2.5
251.09225	4.3
263.07004	1.3
263.09222	12.7
273.07602	18.0
273.14334	1.1
279.09958	1.4
295.09476	1.4
309.07391	1.3
331.74695	1.1
335.09076	1.1
355.11746	3.1
357.13382	1.2
367.11703	3.0
372.11966	1.1
387.14377	9.9
399.14395	5.5
417.15463	24.2
435.10974	1.1
435.15298	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	435.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
57.03442	0.6
61.02927	0.6
65.03945	2.5
67.59294	0.4
68.99810	0.4
69.03442	4.2
69.66380	0.9
69.66783	2.4
71.04990	0.9
81.03423	4.1
85.02904	6.3
90.19130	0.5
90.45293	0.4
95.04969	5.9
97.02905	3.0
98.97599	2.1
99.04473	0.7
102.94896	0.4
104.97235	0.4
107.04931	0.9
108.94747	0.4
109.02881	2.5
111.04440	0.9
121.02875	100.0
122.03203	0.7
123.04429	0.5
127.03896	2.1
137.05928	1.0
139.03908	15.5
143.11880	0.5
145.04994	1.0
147.04503	0.4
153.07507	0.5
161.05927	0.4
195.06461	0.5
247.06163	0.6
265.07126	6.0
272.33780	0.4
283.08121	16.8
422.70483	0.5
435.13675	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	435.1265
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
56.87326	0.3
69.03438	0.4
71.04987	0.7
71.54921	0.5
79.05476	0.9
81.07051	0.9
85.02926	0.6
91.05471	0.3
93.07053	0.6
97.02877	0.8
99.77168	0.4
107.04959	0.9
107.08673	0.8
109.10149	0.6
120.40746	0.4
121.06445	0.4
121.10176	0.6
127.11218	0.7
133.10124	0.8
137.05972	0.5
147.04422	0.8
151.11171	0.7
167.07027	1.5
181.04970	2.1
219.17596	0.5
233.08144	1.5
236.49167	0.4
237.18578	1.6
263.09128	0.6
273.11816	0.4
303.04971	2.9
369.65909	0.4
395.33923	0.4
417.15588	1.1
435.12637	100.0
436.13043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73009	0.3
56.45703	0.3
70.25530	1.1
79.05476	0.3
79.30636	0.3
119.04951	0.3
123.04438	0.5
127.00056	0.4
147.04480	0.4
167.03140	0.6
185.04227	0.4
186.06528	0.9
187.07449	0.7
227.05257	1.4
230.92738	0.3
271.04211	2.4
331.11786	0.4
349.12610	4.1
373.12610	0.9
391.13641	30.8
392.13742	0.6
435.12622	100.0
436.12854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1291
Annotation	Rumejaposide E
Peak:m/z	Relative Intensity
53.03946	1.4
55.01886	1.7
56.96563	2.8
57.03448	8.5
61.02930	2.5
65.03935	3.2
67.05512	2.9
68.99797	3.4
69.03428	5.3
69.30720	13.1
73.02923	6.8
79.05069	1.3
79.05510	5.9
81.03419	4.7
81.07069	3.0
85.02910	30.4
85.03432	1.9
87.04507	1.7
91.05494	3.9
93.03413	2.0
93.07029	3.2
95.04977	5.7
97.02911	6.4
97.06509	1.6
98.03216	1.9
98.20727	2.8
98.97601	4.3
99.02778	1.3
103.03967	1.9
105.07033	4.6
107.04971	19.4
109.02895	5.8
109.10166	1.7
110.42156	1.5
119.04977	7.0
121.02879	18.1
121.06506	1.8
123.04443	8.9
125.02388	1.6
127.03933	3.6
133.05006	2.2
133.10068	2.2
135.04480	3.2
137.02396	1.7
139.03935	6.7
141.01871	2.1
145.02927	1.9
145.04990	3.9
145.10129	1.6
147.04416	24.1
147.11763	1.5
149.02368	2.8
151.04018	1.7
153.01849	6.6
162.98933	1.4
163.03963	8.9
163.06036	1.4
165.01837	47.1
167.07085	8.7
168.24165	1.3
171.02838	3.2
175.03880	2.1
177.01851	15.0
177.05511	3.2
181.04964	20.2
182.05338	4.6
183.02924	15.5
187.03891	2.3
189.01900	6.5
189.05545	1.8
191.03418	28.9
191.05089	2.4
195.02907	100.0
197.12914	1.5
203.03456	3.2
205.05002	4.9
207.02884	2.5
209.04453	2.1
215.03490	4.1
219.02943	39.3
219.04890	2.4
219.17508	1.8
221.08263	2.4
231.02898	33.0
233.04521	2.5
233.08006	7.4
237.03722	1.7
243.02902	7.8
249.03947	10.3
261.03940	25.0
263.09146	2.8
273.07626	7.4
273.16809	6.0
279.05139	5.0
285.07581	43.9
289.07043	2.3
297.07770	16.7
309.07602	1.7
315.08646	21.3
318.15640	1.5
332.52960	1.5
339.08661	37.4
351.08618	21.7
363.08508	9.1
369.09824	4.3
381.09613	10.9
387.14365	2.0
399.10660	17.3
403.11050	1.7
405.14435	6.7
417.11340	2.7
417.16077	3.0
418.28220	1.4
425.14871	2.1
435.16830	2.5
435.22116	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
57.03436	7.7
61.02903	1.9
67.05522	1.9
68.99794	2.6
69.03420	6.9
70.51508	5.7
71.05007	2.2
73.02923	2.3
79.05494	2.9
81.03415	5.3
81.07014	1.9
85.02436	2.3
85.02910	27.5
85.18216	1.9
90.75882	1.6
91.05479	5.0
93.07015	2.8
95.04963	4.4
97.02894	6.4
98.97611	3.3
105.07022	3.0
107.04967	10.6
109.02870	7.4
117.07080	2.2
119.04932	5.2
121.02869	17.4
121.06505	3.1
121.10144	2.4
123.04488	9.8
127.03889	5.6
131.04906	2.2
133.04913	1.8
133.10123	2.1
133.62993	1.8
135.04440	2.3
140.25586	2.0
145.04973	2.4
145.06474	3.1
147.04439	17.1
149.02324	2.5
153.01810	10.6
155.75183	1.6
159.08054	2.4
161.05981	2.2
163.03900	8.1
165.01851	55.5
167.07040	13.4
171.02963	3.4
172.05267	2.2
177.01810	16.4
181.04962	29.6
183.02974	11.5
187.07497	3.1
189.01772	5.9
189.05336	2.3
190.99837	1.9
191.03401	28.6
195.02905	100.0
201.05487	2.6
203.03413	5.1
205.04994	3.7
207.03004	3.6
215.03424	5.3
219.02904	44.3
219.06161	2.4
231.02893	30.6
233.04373	4.0
233.08046	14.4
243.02913	10.1
245.07971	1.8
249.03864	8.9
261.03952	22.9
263.09149	4.9
273.07611	11.9
279.04935	8.8
285.07571	44.2
297.07675	20.8
315.08670	23.3
339.08621	36.0
351.08633	15.1
363.08530	6.5
369.09729	4.5
381.09656	10.7
387.14395	2.7
399.10510	13.0
417.15363	7.9
435.12555	5.1
435.21921	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	435.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53590	2.8
55.01867	8.3
56.96558	23.5
57.03443	16.1
60.34925	3.1
61.02934	18.8
69.03433	44.3
69.29138	17.7
69.29539	6.6
70.06610	3.6
70.98136	4.3
70.99841	3.3
71.04993	6.9
73.02921	16.4
79.05501	3.3
81.03424	15.4
83.04984	3.5
84.96043	4.6
85.02905	100.0
86.03195	4.0
87.04444	9.0
91.03952	6.1
91.05475	3.4
95.04953	3.4
97.02898	43.4
98.03204	3.0
98.20783	5.5
98.97586	46.3
99.04457	8.6
101.00888	32.2
101.02409	5.0
103.02465	4.6
107.04975	14.2
109.02872	9.1
110.97563	10.0
112.99127	8.1
113.00861	6.7
115.02441	13.7
115.03916	6.5
116.98631	17.8
119.01907	44.5
121.01635	3.4
121.02897	6.9
123.04437	11.0
127.03925	41.9
128.98618	9.9
129.03979	6.1
131.00185	6.1
131.01915	13.7
133.03481	24.9
133.06546	5.1
134.99637	8.5
137.02913	6.4
137.05975	3.6
142.03481	3.6
143.00197	4.4
143.01906	41.1
143.03642	3.6
144.99829	4.1
145.01656	5.9
145.03510	18.2
145.04985	34.3
146.05077	3.6
146.99646	5.1
147.04263	5.5
149.02864	5.3
153.03964	4.0
155.01904	14.9
157.03488	13.4
158.99684	17.8
159.01326	3.9
159.04993	8.8
161.01233	6.2
161.02977	35.1
161.04482	6.8
163.02769	4.7
163.03957	6.5
167.01959	3.7
168.03595	4.6
168.99834	12.5
169.03407	23.1
170.99721	5.6
171.01364	14.1
171.03252	4.2
171.05032	10.5
173.01381	6.7
173.02963	29.3
173.06578	4.7
174.04556	3.2
174.99086	3.9
175.04543	10.6
177.00720	10.1
177.02448	6.2
177.04065	4.0
182.03183	4.5
183.04996	13.5
185.01344	5.9
185.02959	16.2
186.99258	3.4
187.00851	13.7
187.02856	6.4
187.04510	35.0
189.00751	8.4
189.02463	15.7
189.04066	3.4
189.06075	6.7
191.02342	5.2
191.04001	8.7
193.03781	4.5
196.99265	3.9
197.02940	5.2
199.00883	11.3
199.04510	6.0
201.00734	12.6
201.02460	6.8
201.06133	6.8
203.04025	16.4
203.07515	4.0
204.02945	3.6
205.01999	4.3
205.03780	4.9
207.03482	6.4
209.03166	4.4
211.04498	3.8
213.02579	4.1
213.06145	5.9
215.00412	18.3
215.02171	5.2
215.04012	15.6
215.05798	4.4
217.01942	13.3
217.05457	4.5
219.01770	20.3
219.03523	4.1
221.03162	5.8
221.04991	15.5
223.04619	5.6
226.05971	3.1
227.00363	3.8
227.07530	5.9
229.01648	5.6
229.03424	5.0
229.05339	5.3
231.03516	10.3
233.01447	7.4
235.06580	5.9
237.02795	17.4
241.05682	7.2
242.07651	10.1
242.99742	3.4
245.05064	28.5
247.03027	11.6
247.06635	3.6
251.02481	4.9
255.07141	6.9
257.05096	9.6
259.03021	7.0
259.06717	14.0
261.02722	6.1
263.05814	4.0
264.07629	13.6
264.57877	3.9
273.08078	11.9
275.02493	9.3
275.06052	3.2
279.03845	8.4
281.04901	3.9
287.02869	3.5
287.06152	8.5
289.04083	12.5
289.07495	4.9
294.05957	5.6
301.11548	4.6
303.09296	3.8
305.07263	7.7
307.05115	10.9
307.08643	11.0
315.02045	8.8
315.05490	3.9
316.09473	5.0
317.03503	4.5
319.08759	4.6
321.10370	3.9
323.10101	7.4
333.03143	6.7
337.09528	3.5
343.01401	4.2
343.05075	7.6
345.03174	4.9
354.09189	3.5
359.04837	3.4
361.02505	7.1
365.09238	7.3
373.06268	8.3
375.04681	18.5
391.42545	3.4
393.05026	4.4
403.07172	4.2
435.07407	89.0
435.12924	31.1
452.21539	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	435.0927
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03429	0.4
61.02932	1.7
65.03117	0.3
68.99797	0.7
69.03436	0.4
69.48004	0.5
69.48405	1.7
71.01347	0.5
73.02923	12.5
79.52304	0.3
85.02908	0.7
95.04962	0.3
106.88037	0.3
109.02852	0.3
111.00818	0.9
115.03934	1.3
117.88945	0.3
121.02882	0.7
123.04428	0.4
125.50743	0.3
127.79765	0.4
137.02345	3.1
145.06529	0.3
147.04497	0.3
149.02373	0.5
153.01817	4.2
161.06026	0.4
163.03830	0.5
165.01859	1.9
173.37053	0.3
183.02962	0.7
183.04420	0.6
195.03001	0.4
201.05515	1.8
229.04964	3.9
247.05949	0.6
257.04373	2.3
274.04800	0.5
285.04016	1.1
303.05005	100.0
304.05328	1.2
435.12579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
53.74208	1.1
55.01869	2.8
55.05513	3.0
57.03420	3.5
57.07075	3.2
61.02917	2.9
65.03930	1.4
67.05502	8.7
68.37174	1.3
69.03414	3.9
69.07068	1.7
69.42738	1.2
71.01360	1.5
71.04996	14.4
71.19668	1.9
73.02910	11.4
79.05507	6.4
80.49968	1.3
81.03396	3.6
81.07043	5.2
83.04967	3.6
85.02909	13.4
85.06544	59.5
86.09670	1.9
91.05493	9.0
93.07040	9.8
95.04959	2.2
95.08629	2.7
96.04507	6.3
97.02884	6.2
97.06533	2.3
98.97565	3.6
99.04467	1.9
105.07045	13.1
107.04952	11.1
107.08600	6.9
109.02850	3.5
109.06493	2.3
111.00784	1.7
117.07040	6.2
119.04955	1.3
119.08604	6.8
121.06490	2.4
121.10146	2.0
123.08092	3.6
127.03893	3.7
127.73725	1.2
129.07004	2.5
131.08580	11.5
133.10165	6.9
135.08066	9.8
137.02341	2.4
137.05963	1.7
137.09607	1.8
139.03882	1.4
140.19142	1.2
141.06972	3.7
145.04968	2.6
145.06419	1.9
145.10109	6.6
146.05997	5.2
147.08025	2.4
147.11681	3.5
149.09587	4.0
149.13174	1.2
153.01826	3.1
153.09125	17.7
155.08537	4.0
157.10129	4.4
159.08002	1.8
159.11694	16.2
163.05928	1.3
165.01846	2.5
167.10741	1.3
173.13268	10.0
174.05508	4.9
175.11169	2.3
177.05522	1.7
177.09096	3.3
177.12779	2.3
181.08551	1.9
183.11662	11.1
191.14276	2.6
195.10271	1.4
201.12717	21.1
207.10120	1.3
219.01868	1.5
219.13797	18.9
229.04965	3.9
237.14853	26.5
255.15924	100.0
256.16418	1.6
257.04507	3.0
271.06085	2.1
272.06357	6.3
300.08704	2.1
303.05011	80.7
309.26752	1.3
338.25595	1.6
434.14456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.4
55.05499	6.4
57.07064	3.8
58.63297	3.6
67.05491	9.6
69.03397	6.2
69.07058	6.3
71.05000	37.1
71.22929	8.3
79.05507	18.2
81.03388	3.4
81.07055	28.8
83.08633	11.0
85.02886	11.7
85.06542	4.6
91.05488	22.3
93.07052	25.8
95.08600	33.7
97.06547	8.9
97.36542	3.6
99.08075	14.7
105.07032	53.5
107.08604	30.1
109.10160	21.9
119.08588	16.3
121.10155	21.3
123.11698	9.1
125.09623	29.9
127.07586	6.0
127.11161	7.5
128.05026	4.5
131.08586	14.4
133.10129	92.5
135.11633	4.8
143.10667	66.8
145.10107	14.9
146.05988	14.3
147.04527	4.0
147.11674	19.1
149.13239	23.8
151.11150	9.4
159.11699	11.8
161.13258	6.6
167.13005	6.4
167.14319	68.1
174.05508	15.3
201.16400	13.6
219.17461	100.0
237.18501	19.1
291.20319	3.8
300.08679	7.1
302.07349	9.9
410.73453	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.05496	7.9
67.05494	10.2
69.07065	10.2
70.44212	8.0
71.05006	34.9
73.06566	4.8
78.61385	3.2
79.05496	13.3
81.07067	32.2
83.08636	4.8
85.02911	10.5
91.05473	12.9
93.07036	25.5
95.08601	28.8
97.02925	3.4
97.06519	8.7
99.08106	7.6
105.07035	47.5
107.08595	26.9
109.10139	12.7
109.29229	3.7
119.08597	17.3
121.10165	17.6
121.90327	3.8
123.11689	6.7
125.09628	33.5
127.07561	7.6
127.11145	5.4
128.39503	3.2
131.08585	10.2
133.10147	89.7
135.11598	5.2
143.10674	64.5
145.10112	10.0
146.06021	13.7
147.11691	20.0
149.13263	24.8
151.11186	5.9
159.11728	16.3
161.13280	5.9
167.14325	69.5
169.12299	4.0
174.05548	8.9
201.16447	17.4
218.91760	3.7
219.17462	100.0
233.93091	4.0
237.18507	21.4
309.51892	3.7
331.15079	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
54.76636	2.3
55.01863	2.5
55.05500	9.5
57.03434	3.5
57.07088	13.1
67.05502	15.2
69.03423	6.7
69.07062	10.5
71.04996	28.1
71.54209	3.9
71.54589	3.2
79.05492	11.8
81.03406	6.7
81.06665	2.8
81.07066	42.4
83.05000	3.0
83.08612	5.2
85.02898	18.5
85.06557	22.5
86.36481	2.4
91.05475	12.7
93.07049	60.9
93.07630	3.4
94.07338	2.8
95.04946	4.8
95.08603	34.5
97.02905	6.0
97.06552	11.9
97.10162	3.9
99.04449	3.3
99.08125	4.0
105.07040	38.1
107.04938	5.5
107.08601	37.0
107.86459	2.1
109.02852	5.1
109.06509	8.8
109.10159	23.2
111.08084	5.5
111.82613	2.4
115.07552	6.2
117.07011	7.1
119.08598	34.8
121.02908	2.7
121.10143	24.9
121.18562	2.3
123.04372	2.5
123.08021	3.2
123.11693	23.1
125.09620	11.6
127.03922	4.6
127.11190	14.5
131.08559	8.4
133.10143	73.4
135.11717	17.5
137.05931	2.9
137.09595	13.8
137.13312	3.5
139.11179	3.5
141.07185	2.6
145.04968	3.3
145.10138	23.0
147.11661	19.0
149.13251	7.1
151.11205	22.1
155.10658	10.4
159.11716	20.7
161.13258	10.4
162.05547	16.6
163.11150	5.6
167.07031	5.7
173.13269	9.5
174.05621	2.2
175.14812	4.9
177.12686	4.6
179.14301	2.6
181.04988	11.3
190.05014	13.2
191.14333	4.5
191.17915	7.6
201.16380	29.2
219.17450	100.0
233.08121	4.7
236.32030	2.4
237.18497	45.1
255.19528	7.9
272.06311	4.1
309.49869	2.6
334.09216	5.1
342.21573	3.8
416.25372	2.8
434.23450	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01867	2.7
57.03442	9.5
61.02915	2.4
61.16756	1.1
65.03933	2.6
69.03430	9.1
69.07066	1.5
70.06563	1.3
71.04990	3.7
73.02901	2.3
75.04462	4.8
77.03903	1.4
78.89384	1.2
79.05462	2.0
81.03413	9.7
81.07071	2.2
83.04964	1.3
84.08143	1.3
85.02908	22.2
86.09720	1.9
88.74626	1.1
91.05499	9.5
93.07047	2.9
95.04964	5.4
95.08610	1.6
97.02914	10.4
98.97576	4.0
99.04436	7.0
103.03969	2.6
103.05473	27.4
105.03298	1.9
105.07041	3.9
106.43277	1.3
107.04939	4.9
107.08604	1.3
109.02876	6.3
109.06520	1.3
110.03633	3.8
110.06020	4.7
111.04436	1.7
117.05479	1.4
119.04942	11.3
121.02874	55.1
121.06496	4.6
123.04446	12.8
124.05195	2.5
124.07573	3.5
127.03925	47.3
128.04256	20.1
130.04167	1.2
131.04930	100.0
131.08511	1.7
133.06451	1.6
135.08067	2.2
137.06003	19.3
138.06778	14.2
138.09123	2.3
138.13672	1.2
139.03902	10.9
145.04935	4.8
147.04431	2.7
148.05203	11.8
149.05933	2.2
151.07500	6.5
154.54439	1.3
158.08107	5.2
161.05968	3.5
163.03825	2.1
163.07545	71.6
165.05331	1.2
166.04947	2.0
166.06276	20.4
166.08568	9.3
175.07544	1.8
177.05635	1.4
179.07025	4.2
181.08594	25.8
182.08128	2.0
185.05278	1.4
192.27669	1.1
193.08531	1.5
219.10155	2.9
227.09267	1.5
237.11224	19.7
255.12285	62.2
265.07062	9.6
277.38074	1.3
283.08130	14.3
399.16281	1.9
434.16443	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	434.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28935	10.4
60.26290	9.7
69.03427	17.2
71.14858	19.9
74.09678	11.8
85.02892	32.1
87.04484	13.4
91.05475	12.1
91.29742	11.3
97.02900	23.0
98.97379	10.1
100.33490	10.9
107.04944	100.0
119.08623	16.2
120.08147	30.7
127.03947	17.7
131.08539	15.5
147.04413	12.5
149.02376	62.9
166.08669	44.6
193.04948	26.8
199.01294	13.1
209.11861	25.6
227.12819	43.7
237.07570	17.0
260.71237	12.3
272.12769	30.9
273.75436	10.4
291.95416	12.2
434.16272	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05511	1.8
55.82962	0.4
57.03164	0.7
57.03442	10.9
59.05001	0.9
60.52317	0.5
61.02932	0.9
69.03432	1.7
69.96709	0.7
69.97048	2.6
71.01344	1.1
71.05000	71.6
73.02926	1.8
75.04496	4.8
75.44527	0.5
76.99055	0.6
78.40945	0.6
81.03455	1.3
83.04996	8.0
85.02913	100.0
87.04472	1.8
91.05490	20.2
95.04993	1.2
97.02907	7.1
99.04486	1.2
103.03940	0.9
105.07030	2.0
107.04975	1.6
109.02892	1.2
111.04452	5.0
115.03922	1.0
121.02894	2.8
121.10104	1.0
123.11752	0.8
125.09605	0.7
127.03934	4.5
127.55353	0.7
129.05490	45.0
133.06532	2.4
139.03929	0.9
142.08664	0.5
145.04984	3.4
145.06483	1.5
146.08168	2.0
147.06535	27.1
149.09558	0.5
160.00644	0.7
163.06047	0.9
164.09203	7.6
175.07533	2.6
213.54781	0.6
227.16389	0.7
237.07675	0.6
253.10901	0.8
255.08705	1.9
273.09805	1.9
283.08170	0.9
309.11920	2.1
353.68881	0.6
434.15988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
54.12064	0.3
55.05497	0.3
57.03436	0.7
69.03434	2.8
70.46166	0.7
70.46564	0.7
71.04989	0.7
79.05479	1.3
81.03427	2.4
81.07062	6.7
85.02905	5.8
87.04450	0.3
91.74036	0.3
93.07040	1.0
93.10395	0.3
95.08609	0.6
97.02901	6.5
99.04444	1.4
99.08092	2.0
105.07011	0.5
107.08595	0.8
109.02878	3.0
109.10158	0.7
119.08654	0.5
123.04465	0.4
127.03912	5.1
128.04958	10.2
128.05894	0.6
133.10094	0.4
146.06012	100.0
147.06383	0.5
159.11731	0.5
169.07628	0.7
174.05513	91.8
175.05894	0.7
181.05031	0.6
182.05420	0.3
197.72688	0.3
201.16396	0.6
207.03622	0.3
216.06522	3.2
219.17355	0.6
221.07967	0.4
264.06577	1.0
270.07544	0.5
282.07571	2.6
295.44565	0.5
300.08670	39.1
301.09152	0.8
318.09732	12.9
319.09952	0.5
404.14331	0.7
416.16998	0.8
434.18155	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27147	1.3
51.56734	1.1
52.15891	1.3
55.01865	1.7
57.03440	21.7
59.04992	3.7
60.04512	2.0
61.02927	6.3
69.03430	68.6
69.79909	6.8
71.01358	1.7
73.02912	18.9
73.39795	1.4
81.03412	4.4
83.38731	1.2
85.02905	91.6
87.04470	40.0
87.04884	0.8
91.03961	4.5
97.02888	67.1
98.21478	2.6
99.04442	2.6
105.07016	6.1
107.04978	2.5
109.02878	5.2
115.03928	100.0
119.08629	1.6
119.93660	1.3
127.03926	20.9
133.04964	90.0
145.04955	39.6
147.08041	4.0
150.07602	12.6
163.06015	21.4
165.01895	1.4
169.04932	1.3
181.04968	3.8
189.09067	2.7
191.03378	1.5
195.02896	3.3
201.09180	3.0
219.10146	2.0
223.06004	1.6
233.08231	1.9
241.07083	2.8
249.11525	1.6
249.56447	1.2
259.08243	6.7
277.09192	2.1
285.13397	10.0
295.10291	6.0
299.85785	1.4
302.15933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23504	0.4
55.01857	0.7
55.05489	1.1
56.05853	0.4
57.03432	0.5
65.03941	0.5
67.05505	1.5
69.03437	6.4
69.07064	0.7
71.00865	0.7
71.04986	1.1
79.05480	1.6
81.03395	0.4
81.07051	2.0
82.90781	0.4
85.02903	1.1
85.06549	1.4
91.05481	7.9
93.07052	1.9
95.04964	0.5
95.08605	1.1
97.02886	0.7
97.10182	0.7
103.05481	0.5
105.07045	1.2
106.07356	0.5
107.04923	1.4
107.08565	1.3
108.42652	0.4
109.02899	0.7
109.06518	0.5
109.10138	0.9
117.07009	0.6
119.04943	14.1
119.08587	1.0
121.10154	1.3
123.08059	0.6
125.09628	0.9
127.03912	4.1
127.11207	1.6
131.04977	0.7
131.08595	0.9
133.06506	0.6
133.10126	1.3
143.08517	0.5
145.06425	0.5
145.10126	1.2
147.04413	100.0
148.04773	0.6
151.11189	1.6
155.10655	0.5
161.13239	1.0
165.05428	2.2
172.12018	0.7
190.41202	0.4
201.16351	0.8
212.11682	0.5
219.17490	1.2
222.54170	0.5
237.18503	7.0
255.19566	0.7
291.08606	4.4
309.09702	10.0
324.20401	0.5
324.66632	0.4
341.21210	0.5
342.21432	3.0
416.25201	1.4
434.25980	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	434.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01878	0.4
55.05507	0.7
57.03436	0.7
63.49561	0.3
67.05494	0.6
69.03428	3.8
69.07068	0.3
70.69083	0.5
70.69464	0.6
71.04987	1.0
73.02919	0.3
79.05510	1.7
81.03419	3.3
81.07060	8.1
83.04980	0.6
85.02905	7.1
85.95818	0.3
91.05495	1.6
93.07045	1.6
95.04949	0.4
95.08597	1.0
97.02888	6.7
97.06540	0.3
98.21549	0.3
99.04456	1.3
99.08103	3.0
105.07026	1.3
107.08595	0.7
109.02882	3.0
109.10161	0.7
119.08563	1.3
121.10143	3.4
123.04394	0.7
127.03912	5.6
128.04953	10.6
133.10146	0.8
135.11714	0.8
145.10117	1.6
146.06009	100.0
147.04396	0.5
147.06357	0.8
147.11697	0.6
156.04477	0.9
159.11696	0.9
161.13232	0.4
162.05460	0.6
166.08592	0.4
169.07634	0.5
174.05507	93.7
175.05812	1.1
181.04971	0.4
201.16385	1.0
208.07286	0.4
216.06598	3.3
219.17471	1.1
237.18536	0.6
264.06564	1.0
270.07681	0.4
272.06384	0.6
282.07632	2.9
300.08664	40.9
301.08878	0.7
318.09717	12.1
373.04288	0.3
398.15909	0.5
416.17111	0.6
428.82849	0.3
434.18097	8.0
434.24039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2949
Annotation	Xylarenone C
Peak:m/z	Relative Intensity
55.05511	3.1
57.07078	6.2
67.01877	0.5
67.05526	2.6
67.05788	0.5
69.07064	2.7
69.29232	4.6
71.08628	1.6
79.05488	1.4
81.07063	3.2
83.08625	1.7
91.05453	0.8
93.07040	2.0
95.08595	2.3
97.10175	0.6
105.07030	1.0
107.08561	1.7
109.10178	1.6
113.00011	1.1
119.08578	0.8
121.10155	1.1
123.04417	1.3
127.03912	0.7
137.05934	0.8
139.03905	4.4
141.01015	0.5
143.02402	0.6
145.10194	0.6
151.03966	1.1
153.01834	23.3
163.03897	1.8
165.01862	0.6
169.02698	0.6
177.05536	1.2
179.03386	6.2
191.03407	1.6
191.07050	1.2
192.04178	11.3
193.04973	2.3
205.04968	23.8
219.06535	2.1
219.10022	0.7
233.08038	1.1
235.91736	0.5
242.56906	0.6
247.09744	1.0
261.11264	1.7
271.05930	0.6
275.12799	3.0
289.14307	2.8
303.15903	4.1
317.17532	6.0
331.19049	6.1
345.20670	4.8
359.22147	4.8
373.23642	3.2
415.28455	60.1
416.28683	1.2
433.29498	100.0
434.29865	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.368
Annotation	Cathasterone
Peak:m/z	Relative Intensity
53.92187	1.1
55.05521	7.8
57.07076	11.1
57.60836	1.1
67.05504	4.7
69.07072	16.1
71.08623	9.1
71.55956	2.2
79.05492	3.7
81.07056	14.3
83.08607	8.4
85.10192	5.3
88.89381	1.2
91.05481	3.6
93.07036	6.6
95.08605	16.7
97.10175	6.5
98.21423	1.2
99.04459	1.3
99.08094	4.9
105.07043	8.0
107.08582	8.0
109.10161	8.2
111.11735	3.8
117.07051	2.1
119.08585	11.6
121.05665	2.7
121.06515	47.7
121.10136	7.7
123.08080	1.9
123.11720	3.8
131.08591	4.0
133.10138	9.2
135.08083	2.8
135.11696	5.7
137.13226	2.7
143.08574	4.8
145.10124	8.1
147.08064	3.8
147.11708	5.3
149.09651	1.5
149.13358	1.9
157.10133	3.7
159.11731	8.6
161.09622	11.3
161.13246	3.7
163.11212	3.6
169.10272	1.5
171.11697	2.7
173.13269	10.7
175.11226	5.7
175.14854	3.8
177.16460	1.7
179.10713	4.2
185.13287	3.5
187.14853	4.7
189.12878	1.6
199.14857	4.7
201.12698	1.9
201.16415	1.7
213.16383	2.8
215.14409	1.7
215.17946	3.0
227.18015	1.6
229.19565	1.9
243.17514	1.6
256.26407	1.3
257.18994	1.5
257.22656	2.5
261.18533	2.0
295.23770	1.5
301.28824	2.1
339.30362	3.7
355.33603	11.4
357.31415	3.3
373.34708	4.2
379.33850	2.3
397.34760	13.2
403.03931	1.3
415.35721	100.0
433.24176	3.5
433.36627	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	41.7
57.03442	6.7
57.07073	23.6
67.05512	44.7
68.99786	11.0
69.07066	59.3
69.19517	41.2
71.08634	18.7
73.06558	4.9
79.05489	21.8
81.07059	59.7
83.08623	49.6
85.06532	6.2
85.10197	9.5
86.09712	4.3
87.00838	33.5
91.05488	7.9
93.07048	29.7
95.08609	54.0
95.42334	4.1
97.06539	11.9
97.10166	37.8
99.47323	3.8
102.75586	4.0
104.10754	12.6
105.01865	7.0
107.08583	29.6
109.10188	27.5
111.08129	9.9
111.11737	10.0
113.54978	3.8
116.80295	4.0
119.04937	5.9
119.08591	7.3
121.10166	35.7
123.11698	19.2
125.09629	8.4
131.08589	4.2
131.62329	4.9
133.10117	5.2
135.11690	29.1
137.13284	8.6
139.11147	7.3
143.10637	5.7
147.04414	19.4
149.13255	26.1
153.12700	8.6
161.29825	4.0
163.14847	11.1
165.05438	6.0
177.16364	4.5
184.07329	9.2
219.21071	29.8
237.22145	90.2
254.99718	4.3
255.23199	100.0
271.06042	10.7
277.21521	5.1
295.23087	5.1
323.22125	47.1
329.26898	7.1
341.23325	23.2
397.25943	11.4
415.26990	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.259
Annotation	Wortmannilactone D
Peak:m/z	Relative Intensity
51.48309	0.4
51.81398	0.4
55.05514	3.0
57.07078	3.0
67.05494	2.7
69.07075	3.0
71.39094	1.3
79.05514	0.9
81.07050	2.7
83.08640	1.1
85.10180	0.6
91.05509	1.1
93.07072	1.0
95.08617	2.7
97.10188	0.8
97.60600	0.5
107.08646	1.4
109.10177	1.1
119.08631	1.1
121.10188	0.9
133.36919	0.5
137.06027	0.7
139.03905	3.0
151.03976	0.6
153.01840	17.6
163.03975	0.9
177.05469	0.7
179.03360	4.6
191.03477	1.6
191.07109	0.8
192.04192	6.0
193.05005	2.4
205.04979	17.6
205.08818	1.0
219.06595	1.8
233.08163	1.1
247.09706	0.6
261.11404	1.2
271.06055	1.2
275.12796	1.3
289.14493	1.6
303.15948	3.4
315.16016	0.5
317.17529	3.9
331.18961	4.2
345.20715	2.0
379.07468	0.5
387.25299	47.7
388.26004	1.0
397.23743	1.6
405.16168	0.6
415.24814	100.0
416.25183	1.7
433.25867	19.2
447.30389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03933	3.7
55.01875	11.4
55.05511	32.0
56.96558	1.4
57.03440	6.6
58.93148	0.8
59.04998	1.6
62.12173	0.8
62.33867	0.8
63.25275	0.8
65.03925	2.5
66.09512	0.8
67.05507	37.6
69.03432	5.5
69.07066	12.2
71.04979	3.2
71.83828	0.8
79.05492	44.6
81.03422	9.5
81.07056	34.9
83.04975	6.6
83.08615	14.7
84.96045	1.1
85.02890	1.5
85.06517	2.1
91.05481	40.7
93.07045	34.6
95.04972	33.5
95.08611	21.4
97.06522	5.5
97.10171	21.5
98.21469	1.8
98.97575	1.0
99.04453	1.5
99.08080	1.7
103.05472	5.0
105.03381	2.9
105.07033	30.9
107.04963	17.6
107.08593	23.6
109.02905	1.7
109.06527	6.9
109.10149	10.7
111.04475	1.2
111.08083	3.8
115.05456	4.1
116.06242	1.0
117.07024	17.0
119.04982	5.4
119.08579	16.1
121.06510	18.2
121.10145	17.7
123.04414	1.2
123.08067	5.7
123.11671	1.2
123.92059	0.9
125.09634	16.6
127.03846	1.2
128.06241	5.6
129.05481	2.3
129.06998	24.3
130.07791	1.2
131.04942	15.0
131.08563	27.9
133.06496	8.8
133.10141	9.9
135.04437	2.2
135.08052	11.8
135.11667	3.6
137.06033	1.0
137.09605	2.1
139.11119	1.4
141.06992	10.1
142.07726	2.1
143.08551	12.4
143.10698	1.0
145.06488	24.7
145.10129	13.0
147.04393	3.7
147.08044	11.5
147.11664	4.3
149.05956	1.1
149.09621	21.6
149.13237	1.9
151.03821	1.2
151.07515	1.3
151.11177	1.2
153.06996	1.9
153.09059	2.3
154.07779	1.8
155.08572	9.3
157.06537	4.2
157.10101	7.6
159.08064	9.6
159.11676	8.2
161.05916	1.0
161.09604	4.4
161.13252	4.1
163.11148	5.7
165.05368	0.8
165.06937	1.4
166.07788	1.1
167.08531	3.9
168.09314	1.5
169.10136	13.1
170.07301	1.1
171.08034	5.3
171.10138	2.0
171.11674	17.6
173.09618	7.3
173.13266	2.0
175.11145	3.4
177.12686	2.3
179.08524	1.9
179.10715	1.1
180.09319	1.2
181.04915	1.3
181.08682	1.1
181.10095	4.5
183.08095	2.8
183.11688	5.2
183.23376	0.9
185.09601	4.1
185.13258	3.8
187.11208	9.6
189.09071	3.0
189.11185	9.8
189.12753	12.1
191.10703	1.0
193.10133	2.5
193.12230	2.4
195.11658	3.5
197.09628	4.7
197.13249	3.4
199.11163	3.8
199.14902	1.4
201.12749	3.4
203.10722	2.1
203.14279	1.1
205.10527	1.2
205.12163	6.3
207.11705	2.6
207.13780	0.9
209.13275	2.5
211.11208	7.5
211.14781	1.7
213.12753	4.9
215.10661	2.5
215.14285	2.2
219.13803	1.3
223.11407	1.0
223.13200	5.0
225.12749	2.5
227.12631	4.5
227.14679	1.0
229.12273	6.2
231.13834	2.6
239.14352	1.3
243.13863	6.1
247.13223	1.6
249.14900	2.1
257.15338	4.4
261.15030	1.6
267.15894	4.1
271.05991	2.7
273.14828	3.0
275.16290	1.6
285.86621	1.0
295.17227	1.0
295.20389	4.1
305.18823	2.8
313.18420	1.2
313.21613	6.5
323.20050	25.6
331.22729	1.1
335.18414	1.2
341.21112	100.0
342.21457	1.8
359.22168	8.9
367.08389	1.0
377.23325	2.0
379.22562	1.3
387.25235	1.3
389.23395	1.4
394.00845	1.1
397.23593	3.2
415.24738	48.7
433.25800	97.3
434.26096	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	433.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72589	0.3
56.96550	0.5
57.03458	0.3
59.37859	0.3
61.02931	0.3
61.34034	0.3
69.03410	0.8
69.85041	0.3
70.06608	0.4
72.08167	1.9
73.02908	0.4
81.03429	0.5
84.04490	0.4
85.02901	1.9
86.09712	0.6
97.02888	1.1
98.97584	1.1
99.04471	0.8
102.05553	0.3
103.03977	0.8
107.04962	0.7
109.02882	0.7
116.98621	0.5
123.04407	0.6
127.03919	17.0
128.98637	0.4
131.04912	0.3
139.03851	0.4
145.05017	0.4
147.04361	0.5
151.03923	0.3
158.99646	0.4
163.03947	0.7
177.00694	0.4
181.04982	0.5
213.08769	0.4
217.45706	0.3
219.01846	1.0
221.04962	0.3
237.02806	0.5
271.05969	0.6
271.11536	3.8
301.12619	2.9
329.05463	0.7
347.33609	0.3
364.70517	0.3
391.18546	0.5
391.24106	0.4
401.14014	0.6
403.14029	0.4
408.15897	0.3
433.16824	100.0
433.93945	0.4
434.17145	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1344
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
50.76400	0.2
50.78289	0.3
51.65555	0.2
53.03941	0.9
53.78427	0.2
57.03414	0.3
61.02931	0.6
61.98007	0.3
69.03431	2.0
69.55871	0.5
69.56279	1.2
71.04996	0.4
73.02900	0.4
81.03424	2.5
85.02908	6.0
86.09694	0.3
91.05490	0.7
97.02905	4.0
98.21560	0.2
99.04462	3.7
103.03310	0.4
103.03951	4.4
107.04971	0.4
109.02885	2.9
127.03922	100.0
128.04225	0.4
135.79256	0.3
145.04970	4.5
150.57425	0.2
163.06015	0.6
165.66034	0.2
167.07036	0.4
168.24387	0.2
173.46822	0.3
175.27309	0.2
181.04984	1.0
187.06052	0.8
205.07082	0.3
225.53334	0.3
253.07155	0.4
271.08337	0.4
289.09180	0.3
349.53757	0.2
360.33356	0.3
367.41620	0.2
403.13861	0.9
433.15231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1475
Annotation	1178-24-1
Peak:m/z	Relative Intensity
56.07051	0.4
56.84864	0.4
69.03406	0.7
69.56377	1.2
69.56808	1.6
70.06592	0.6
72.08127	2.1
73.02904	0.4
85.02885	1.9
86.09681	0.6
93.07005	0.7
97.02845	0.6
98.97576	1.0
99.04450	0.8
103.03955	0.5
105.03353	0.5
107.04951	1.0
115.61751	0.4
127.03117	0.7
127.03926	9.1
137.05937	0.8
145.04941	0.9
147.04410	0.8
163.03816	0.7
175.03668	5.1
181.04901	0.8
219.01842	0.5
271.05884	1.0
301.12384	1.0
433.14691	100.0
434.14944	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1472
Annotation	1178-24-1
Peak:m/z	Relative Intensity
50.04288	0.4
52.76588	0.4
56.41774	0.4
59.53788	0.6
61.02922	0.6
62.98220	0.4
69.03421	1.3
69.42995	2.2
69.43420	1.3
73.02888	0.5
79.05473	0.9
81.03404	0.6
81.07066	2.6
85.02905	3.4
97.02886	1.6
97.60330	0.5
98.20802	0.9
98.97569	1.6
99.08097	0.8
105.07049	0.6
107.04938	1.6
116.98644	0.6
117.78703	0.5
119.01914	0.5
121.02855	0.6
126.03595	0.5
127.03894	1.8
133.06477	1.0
137.05959	0.7
142.60899	0.5
143.01904	2.0
145.04922	0.6
147.04288	0.6
151.06030	0.6
155.01912	0.5
158.99689	0.7
160.06555	2.1
161.02922	1.8
163.02539	0.5
163.03831	0.6
175.03693	5.2
177.00694	0.6
199.08182	1.3
208.81334	0.5
209.10153	1.3
230.10648	0.8
232.08647	1.9
241.09122	0.5
271.05997	0.5
290.12839	3.8
290.62958	0.5
319.12329	1.4
385.12573	0.8
403.14133	0.6
433.14685	100.0
434.14935	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03938	0.3
53.35233	0.2
56.14235	0.2
57.03421	0.3
61.02903	0.4
67.01860	0.4
69.03432	1.3
70.17089	0.4
70.17477	0.4
71.04978	0.3
72.89011	0.2
81.03404	0.8
85.02913	2.7
91.03965	0.2
91.05475	0.6
93.07027	0.3
95.04979	0.2
96.68027	0.2
97.02927	1.0
98.20831	0.2
98.97604	0.3
99.04441	0.3
105.07002	0.3
107.04966	0.3
107.08537	0.2
109.02863	0.5
113.37738	0.2
119.04943	1.8
121.02855	0.6
123.04415	0.4
125.09554	0.2
127.03920	0.7
145.02853	0.8
145.04955	0.6
153.01842	4.4
163.03893	0.4
181.04950	0.3
187.04007	0.3
191.08165	0.6
206.05542	0.6
229.04843	0.3
233.92708	0.2
243.06445	0.4
258.09464	0.2
262.57928	0.2
271.06018	100.0
272.06354	1.3
283.06079	1.2
284.07053	0.2
290.87762	0.2
313.07098	0.8
337.07144	0.3
367.08041	0.4
379.07935	0.3
390.26740	0.2
397.09070	0.4
415.10168	0.4
433.14975	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	433.1132
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.03992	0.6
53.14343	0.5
55.01920	0.9
57.03469	0.6
65.78790	0.6
67.96482	0.5
68.99834	0.9
69.45116	3.2
81.03484	1.5
85.02914	3.3
86.26549	0.6
91.05551	1.1
93.07098	0.9
97.02975	0.8
100.97218	0.6
107.05022	1.9
109.02935	1.5
119.04933	3.2
121.02877	9.2
121.10258	0.7
123.00873	0.6
137.02386	0.6
141.01900	1.1
145.02863	3.4
147.04466	1.3
149.02429	2.0
153.01918	0.7
163.03912	4.1
165.01851	13.5
167.03369	2.7
177.01906	1.9
181.05026	1.3
183.02914	3.4
187.03957	1.6
191.03482	1.8
195.02954	1.5
205.05023	1.4
215.03519	0.8
217.04984	0.8
229.05069	1.1
239.06964	1.1
243.03053	1.4
243.06601	0.6
249.73730	0.6
255.06526	1.7
256.07404	1.8
267.06543	7.9
270.05194	3.2
271.05997	7.6
279.06586	2.0
281.04819	1.3
281.08078	7.3
283.06030	100.0
284.06790	12.7
285.07532	1.3
295.06042	12.2
295.09653	3.2
297.04181	1.2
297.07565	5.0
305.08026	2.4
307.06018	2.1
308.06790	2.2
309.04007	1.6
309.07535	22.0
311.05542	1.6
313.07068	80.2
314.07452	1.5
321.07614	2.2
323.05832	0.8
323.09143	17.7
325.07150	1.2
333.07623	3.1
336.07019	0.7
337.07074	37.5
343.08170	1.0
349.07101	12.7
351.08673	2.9
361.07132	10.0
367.08145	26.3
379.03241	1.0
379.08170	19.5
397.09204	25.1
415.10239	21.4
433.11139	18.3
433.16806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
67.01862	0.4
68.65525	0.1
68.99813	0.2
69.03425	0.1
69.34215	0.4
69.34644	0.2
70.56913	0.1
76.47282	0.1
85.02914	0.2
90.11134	0.1
91.05489	0.3
111.00793	0.1
117.23206	0.1
119.04946	1.5
121.02878	0.4
125.13116	0.1
129.01782	0.1
145.02841	0.6
153.01837	4.4
163.03915	0.4
166.70860	0.1
171.02896	0.2
187.03993	0.1
197.06023	0.1
203.07071	0.1
211.03989	0.1
225.05463	0.3
225.71574	0.1
229.05043	0.3
243.06517	0.3
247.06044	0.1
271.06021	100.0
272.06357	1.5
433.11008	0.5
433.15097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.0
53.21136	0.8
55.01876	11.9
56.06454	0.6
57.03437	6.1
60.04532	1.5
61.02931	6.1
63.12132	0.9
64.39336	0.8
68.99798	3.3
69.03432	31.9
70.06588	0.9
71.04993	6.2
71.17063	1.7
73.02923	9.6
74.81113	0.8
81.03419	30.7
82.41813	0.8
83.01352	1.2
85.02908	100.0
87.00832	35.5
91.03973	2.3
97.02896	39.0
98.06067	0.9
99.04455	17.1
103.03915	1.4
105.01869	34.7
105.02583	1.9
108.04472	7.9
109.02885	37.2
115.03920	1.6
117.01843	5.7
124.98409	0.8
126.05530	5.0
127.03923	84.0
129.01869	4.6
137.05980	4.1
145.04965	52.6
147.02919	3.9
147.04375	0.7
159.02902	32.0
165.09184	1.9
166.26669	0.8
175.28662	0.8
177.03990	2.4
189.03946	1.7
189.09122	6.0
189.87642	1.0
207.10164	1.4
213.03961	3.5
218.33453	0.9
219.87852	0.8
230.06679	3.4
231.05016	21.1
231.10133	3.7
248.07663	5.7
249.06125	2.8
255.06432	1.1
266.08807	1.3
273.11264	3.1
273.57312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.39959	0.5
56.96570	1.5
57.03438	0.7
61.02908	0.6
63.98804	0.5
69.03432	3.0
69.07069	0.7
69.60764	2.1
69.66394	0.5
70.06551	0.5
71.04996	1.2
73.02934	0.9
75.61882	0.5
79.05518	1.0
81.03427	1.6
83.25984	0.5
85.02917	5.9
87.04474	0.9
89.06040	2.7
93.07043	1.4
97.02892	3.8
98.97588	4.3
99.04471	2.1
103.05480	5.4
107.04979	2.9
109.02882	1.6
110.97591	1.8
111.04401	0.6
116.03226	0.5
120.08119	100.0
121.08475	1.0
125.02345	1.1
127.03929	2.2
128.98590	1.0
131.04924	3.0
135.06615	1.0
136.06223	1.6
143.00253	0.7
145.04945	1.5
145.06010	0.5
147.04424	0.6
149.05994	2.1
158.99736	0.8
161.04662	0.8
163.03918	1.1
165.53218	0.6
166.08655	53.1
167.09048	0.8
177.00789	0.7
189.04172	1.1
208.97548	0.8
215.09239	0.7
219.01804	2.3
226.98694	2.0
227.06870	1.1
233.10257	2.3
237.02817	2.8
244.99850	0.7
249.09651	0.6
263.81516	0.5
268.11954	1.0
279.10919	1.2
291.07471	0.6
309.08578	1.0
371.02899	1.3
389.04007	1.4
430.14371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74233	0.4
60.14609	0.5
61.95874	0.4
62.36249	0.4
63.51963	0.4
69.03428	1.0
69.07072	0.6
69.55786	3.1
70.06591	2.7
72.08153	0.7
77.55457	0.4
81.03426	0.5
85.02893	1.8
85.92580	0.4
86.09724	2.3
91.05484	4.4
97.02885	1.0
98.97591	1.1
99.04446	0.6
107.04961	0.6
107.35412	0.5
108.58261	0.5
109.02908	0.9
110.97596	0.5
111.05152	0.5
118.09813	0.5
119.04935	8.0
121.02845	0.5
124.87271	0.4
125.63570	0.4
130.92332	0.4
135.04433	0.5
147.04419	40.0
154.63902	0.4
163.03868	0.5
165.05499	1.2
175.03737	0.9
181.04716	0.6
183.15010	0.8
189.12300	0.4
241.53023	0.5
291.08618	1.5
309.09720	1.4
315.10498	9.8
341.12061	2.2
371.15811	0.6
387.19147	0.5
431.15213	100.0
432.15115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.2
55.01864	8.2
55.05522	39.7
56.96558	9.5
57.03431	8.4
57.07057	4.2
58.09069	3.8
58.82178	3.7
61.02904	4.0
64.49421	4.0
67.05178	6.1
67.05509	100.0
67.18155	3.8
69.03437	8.9
69.06781	3.7
69.07078	37.4
70.32017	14.4
71.04988	9.7
79.05500	71.2
81.03413	11.2
81.07063	85.6
83.04967	10.5
83.08617	27.8
85.02878	4.5
85.06543	5.5
91.05487	72.5
93.07052	67.7
95.04979	22.8
95.08601	66.8
97.06531	10.7
97.10145	18.0
105.07037	59.5
107.04940	7.0
107.08595	48.1
109.06500	7.8
109.10177	43.2
111.08086	7.8
117.07032	36.1
119.08573	44.1
121.06508	5.5
121.10151	44.2
123.08011	6.2
123.11695	9.4
125.09631	7.8
129.06996	18.0
129.09081	6.4
131.08585	40.6
133.06458	7.3
133.10126	53.9
135.08080	6.6
135.11664	17.5
137.09612	32.2
141.06947	4.7
143.08565	15.2
145.10124	21.7
147.11697	25.4
149.09636	28.2
149.13260	8.9
151.11224	6.4
155.08594	5.4
156.23439	4.7
157.10081	12.7
159.11681	18.6
161.13252	9.7
163.11157	7.7
167.10704	7.6
169.10118	5.1
171.11693	14.7
173.13217	13.9
175.11244	5.4
175.14861	7.5
183.11746	5.2
185.13226	13.5
187.14799	9.7
189.16478	4.1
197.13200	8.0
199.14796	5.2
201.09604	4.3
207.13849	6.0
213.09749	7.6
213.16335	8.8
227.17946	10.4
229.07330	7.0
229.19818	6.0
231.10796	9.7
239.17807	4.5
247.08531	4.5
249.18552	29.3
251.05731	26.8
259.20636	5.0
263.20129	11.3
275.20102	45.3
277.21664	9.1
293.06644	11.7
293.21262	8.0
301.21628	5.6
349.16727	9.0
351.20026	6.7
359.25937	5.7
371.15085	70.1
377.27103	17.1
385.31461	4.6
389.15866	5.4
395.29132	22.4
413.30460	14.9
431.17056	19.7
431.26712	9.0
431.31989	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03954	0.7
53.92258	0.5
55.05516	3.0
56.77636	0.7
57.07080	15.8
66.02274	0.7
67.05501	4.9
69.07076	4.3
71.08637	11.7
71.38086	1.4
75.99445	0.6
79.05479	1.6
81.07055	7.6
83.08625	2.6
85.10184	5.2
91.05477	2.1
93.07030	3.0
95.08610	8.1
97.10175	1.6
105.07044	2.4
107.08586	4.9
108.58419	0.6
109.06529	1.0
109.10162	5.7
111.04446	1.9
111.11705	0.8
119.08579	3.4
121.06612	0.7
121.10126	4.4
123.08064	1.5
123.11690	1.0
129.06978	0.6
131.08554	2.2
133.10179	1.5
135.08058	5.7
135.11664	1.1
137.05969	0.8
137.09624	11.1
137.13295	1.0
139.07524	2.2
143.08611	0.8
145.10100	3.1
147.11685	0.7
149.09624	16.0
149.13205	0.8
151.07547	1.4
157.10199	0.6
159.08020	0.8
159.11708	2.5
160.08940	1.5
161.09648	1.8
162.06757	1.1
163.07579	0.9
163.09862	1.1
163.11188	19.4
163.81412	0.7
165.09119	100.0
166.09459	1.2
171.11790	0.8
173.09573	3.3
173.13257	2.1
174.10406	0.6
175.07607	0.9
175.11183	5.8
176.08290	2.2
177.09142	11.4
177.12784	2.4
179.10680	1.9
181.17828	0.8
186.10455	0.9
187.11195	2.8
189.09058	0.8
189.12766	2.1
190.09924	1.5
191.10669	11.0
191.14276	0.9
201.12727	3.9
203.10695	2.1
204.11403	1.1
205.12254	12.1
215.14319	2.2
219.13838	6.3
233.15388	2.3
236.46318	0.8
243.98073	0.6
247.16910	1.6
275.20074	1.1
289.21655	1.5
303.23190	1.8
345.27731	0.9
349.38425	0.7
373.31296	0.9
383.37210	0.7
401.33752	3.2
411.36066	2.0
429.32428	2.0
429.37271	51.0
430.37894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03942	6.3
55.01865	5.8
55.05519	13.5
57.03441	14.0
61.43527	1.3
65.03933	1.8
67.05503	18.7
69.03432	29.6
69.07068	4.9
69.39605	6.6
69.40026	4.9
71.05000	8.2
73.02918	2.6
79.05495	17.7
81.03422	90.8
81.07066	17.4
83.04983	19.6
83.08621	19.8
85.02905	23.3
85.06554	2.1
91.05482	23.5
93.07048	15.8
95.04973	25.6
95.08625	6.8
97.02895	50.6
97.06537	5.0
97.10187	2.5
98.97578	1.6
99.04468	5.8
103.03935	2.5
105.07037	15.6
107.04952	9.7
107.08633	8.0
109.02895	13.5
109.06514	4.9
109.10168	4.0
111.04471	8.8
111.08089	12.1
115.05502	1.4
117.07010	3.8
119.08572	15.1
120.08179	2.4
120.97560	1.3
121.06499	4.1
121.10143	10.6
123.04436	9.8
123.08121	2.3
123.11716	2.9
125.09582	1.7
127.03910	15.7
128.06233	2.1
129.05513	3.5
129.06993	9.2
131.04918	3.3
131.08611	10.4
133.06493	2.4
133.10150	6.2
135.08122	1.8
135.11716	1.6
137.05998	2.4
137.09590	2.0
139.03880	3.0
142.05753	1.4
142.07805	2.2
145.02960	1.7
145.10184	3.7
147.04385	3.4
147.08066	3.2
147.11697	17.9
149.06010	2.0
149.09660	8.3
157.10147	12.9
163.07590	1.8
163.11203	4.6
165.05464	1.8
165.12767	5.9
166.08788	1.5
175.11168	12.3
177.05556	3.6
181.12302	4.2
183.06525	4.3
189.12860	1.7
191.10651	2.4
193.12259	57.0
201.07678	2.2
207.13811	1.5
211.13300	91.6
217.12280	2.2
227.12784	3.1
229.14406	3.9
235.13341	1.6
249.14903	8.0
267.09192	2.7
267.15958	8.6
277.14355	1.6
285.16971	22.7
313.16489	3.7
337.16711	3.3
352.39230	1.4
355.17645	4.0
375.18115	1.9
393.19080	3.7
411.19931	7.4
429.21240	100.0
430.21484	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12619	2.4
53.03939	8.3
55.05515	14.0
56.16885	2.9
57.03447	13.5
57.07062	3.1
67.05515	16.4
69.03432	25.7
69.07056	12.9
71.04980	5.9
75.93349	2.5
77.00629	3.5
77.77834	3.0
79.05479	13.8
80.49235	2.8
81.02987	4.5
81.03420	63.2
81.07072	16.2
83.04970	12.2
83.08625	17.5
85.02901	20.6
91.05473	10.2
93.07023	12.7
95.04957	12.4
95.08608	15.9
97.02885	38.2
97.06491	5.1
99.04444	8.0
105.07034	10.3
105.46396	2.7
107.04886	3.6
107.08572	7.5
109.02874	12.1
109.06471	3.9
109.10133	7.9
109.10878	2.6
111.04438	5.8
111.08045	9.5
113.06002	3.1
119.08565	12.4
121.06475	3.3
121.10134	6.7
123.08099	2.8
127.03928	8.2
129.05487	3.5
129.07005	4.9
131.08534	7.6
132.41261	3.2
133.10094	5.6
137.13228	3.0
139.04260	16.4
147.11639	10.0
149.09613	3.1
153.01842	3.1
157.10129	9.0
163.11084	4.3
165.09157	3.0
165.12799	2.9
175.09729	2.6
175.11142	10.4
189.16435	2.6
193.12274	43.8
198.21307	2.7
205.04907	6.9
211.11336	5.5
211.13287	80.7
227.12685	4.4
249.14886	7.6
285.16888	6.5
355.17462	4.3
411.32684	4.2
429.15771	5.2
429.21432	67.8
429.26514	12.6
429.31815	100.0
430.20941	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05504	2.1
57.07066	6.4
67.05489	3.0
69.07059	3.8
70.71487	3.0
70.71811	1.6
71.08625	4.5
81.07082	7.1
83.08603	2.9
85.10165	2.0
93.07005	1.8
95.08604	7.1
97.10152	1.8
105.07016	1.7
107.08601	2.8
109.10143	7.0
111.11745	2.3
119.08578	2.7
121.10153	2.4
123.08017	1.4
123.11681	2.1
125.05968	1.7
131.08554	1.9
135.08046	2.4
135.11691	2.4
137.09641	8.1
145.10098	2.4
147.11699	1.5
149.09625	7.3
151.07552	1.8
159.11665	4.5
163.11168	2.2
165.09119	100.0
173.09666	2.2
176.08333	1.7
177.09076	5.6
177.12679	2.7
179.10680	1.8
187.11336	2.7
190.09863	3.3
191.10666	6.2
205.12259	19.9
317.82602	1.5
345.88998	1.4
351.21747	1.5
377.27997	1.3
382.44720	1.3
393.34808	1.9
410.33322	1.5
411.36127	4.4
429.31769	7.2
429.37274	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
55.05511	5.1
55.19660	0.5
57.07076	7.1
60.58659	0.5
65.03944	0.5
67.05505	5.9
69.03424	1.0
69.07069	12.9
70.69887	1.0
71.08636	7.1
79.05503	5.4
81.07059	22.3
83.04958	0.7
83.08614	4.2
85.10191	3.4
91.05489	3.9
93.07043	7.4
95.04977	1.1
95.08614	20.7
97.06533	2.2
97.10185	4.4
105.07027	5.3
107.04958	2.8
107.08599	7.0
109.06512	1.5
109.10165	7.7
111.11714	2.3
117.07018	2.1
119.08598	4.2
121.06536	2.3
121.10151	4.3
123.08086	1.1
123.11711	2.9
125.06002	0.9
129.07010	1.3
131.08571	3.7
133.06517	0.9
133.10139	4.1
135.08046	1.4
135.11694	4.4
137.13258	1.8
138.32631	0.5
141.07011	0.8
142.07750	1.0
143.08626	2.3
145.10126	5.1
147.07990	0.9
147.11713	3.7
149.09561	2.3
149.13268	1.7
155.08578	0.8
157.10139	5.8
159.08168	0.7
159.11688	5.8
160.08861	0.7
161.09621	2.1
161.13292	2.4
163.11147	2.3
163.14883	1.0
165.07875	0.5
165.09079	2.4
169.10176	1.0
171.11685	1.7
173.09627	1.1
173.13223	2.4
175.11192	8.2
175.14919	0.7
177.12724	1.1
183.11732	1.6
185.13246	1.8
187.11145	0.6
187.14850	1.7
189.12764	1.0
189.16425	0.7
197.13315	1.8
199.14835	1.8
201.12747	1.3
201.16444	1.2
211.14780	1.5
213.16422	1.4
215.14319	1.4
217.15842	0.6
225.16414	0.9
229.15930	1.5
239.17996	1.0
253.19498	1.3
271.20633	1.3
295.24121	0.6
369.31531	0.7
376.21213	0.5
383.36838	0.7
393.35068	2.7
411.36209	7.3
429.37286	100.0
430.37686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.21
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
57.03450	0.7
60.04836	0.4
67.05495	1.0
69.03421	1.0
69.07066	0.6
69.48940	2.8
71.04998	0.7
79.05489	1.4
81.03432	1.9
81.07046	1.7
84.91275	0.4
85.02897	1.5
86.09724	0.4
91.05479	1.4
93.07017	0.5
95.04955	1.2
95.08605	0.9
97.02910	0.9
98.97556	0.6
100.38750	0.4
103.05486	0.4
105.06998	0.8
107.04951	2.0
107.08582	0.9
109.02841	0.4
111.04403	0.4
111.08073	0.5
117.07023	0.6
119.04935	0.7
119.08578	0.6
121.02867	1.2
121.10143	0.6
123.04420	4.5
127.03899	1.1
129.07033	0.5
131.04913	0.6
131.08534	0.6
133.10085	0.6
139.03922	1.7
145.10106	0.5
147.04391	2.5
147.08073	0.5
147.11687	0.8
148.45882	0.4
151.03899	0.4
157.10194	0.5
158.99622	0.4
161.06076	0.4
163.11272	0.8
165.05484	0.5
193.12152	0.6
207.09842	0.6
211.13243	0.7
235.13329	0.9
249.14679	1.1
267.12085	0.3
267.15756	2.7
273.07590	0.8
309.16959	1.2
332.33984	0.4
396.27139	0.4
411.19916	7.5
429.16028	5.9
429.20999	100.0
430.21201	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2116
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03939	3.3
55.05503	3.8
55.12847	1.1
57.03433	5.0
59.64035	1.2
60.87756	1.1
67.05505	6.0
69.03431	10.5
69.07065	1.3
71.04977	1.4
71.54619	2.0
79.05495	5.7
81.03421	29.8
81.07050	8.6
83.04994	6.1
83.08614	6.0
85.02914	9.1
91.05491	8.8
93.07047	4.8
95.04991	8.6
95.08607	3.5
97.02906	18.2
97.06516	2.8
97.10188	2.2
98.97568	2.4
99.04443	1.6
105.07026	7.9
105.22758	1.0
107.04954	2.9
107.08615	3.5
109.02901	6.1
109.06505	1.8
109.10177	1.9
111.04469	2.9
111.08086	2.8
117.07034	2.3
119.04986	1.3
119.08559	5.6
121.06548	1.6
121.10172	3.5
123.04448	12.6
127.03119	1.3
127.03947	6.8
129.05412	1.5
129.07014	2.7
131.08597	3.6
133.06526	1.6
133.10143	3.5
139.03922	5.1
143.08565	1.6
145.10135	1.7
147.04411	4.4
147.08069	1.7
147.11742	5.8
149.07445	3.0
149.09616	3.9
151.03922	3.4
155.07083	1.2
157.10184	4.2
163.11179	1.7
170.45412	1.1
171.06505	1.2
175.11189	5.8
183.06433	1.3
193.12248	19.1
211.13289	32.7
229.14377	2.1
235.13414	1.3
249.14810	5.2
261.12997	1.5
267.09103	1.8
267.15851	3.8
273.07635	1.9
285.16937	7.2
313.16531	1.3
337.16937	1.6
361.03583	1.1
371.16818	16.5
393.19080	1.6
411.20105	5.1
429.21149	100.0
430.21442	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01838	2.5
55.05485	2.2
57.03404	5.4
61.01114	5.1
61.02903	2.9
65.03944	1.3
67.05508	8.3
69.03395	5.7
69.07052	1.5
69.64540	6.6
69.64949	3.1
69.71728	1.2
71.04942	1.3
72.04479	5.5
78.03810	9.4
79.05496	6.8
81.03427	18.8
81.07073	8.5
83.04935	3.9
83.08588	3.7
85.02920	6.8
85.06546	2.2
86.81018	1.7
88.02159	4.5
91.03887	2.3
91.05499	6.7
93.06995	4.5
95.04973	12.1
95.08558	3.8
97.02900	7.0
97.10090	1.3
99.04424	2.2
101.02270	1.3
102.03773	15.8
103.05431	2.1
105.06962	5.1
107.04930	2.7
107.08545	3.7
109.02911	6.5
109.06473	3.0
111.04366	1.9
111.08044	2.1
113.05980	1.6
117.03366	3.0
117.06936	2.3
119.04903	2.2
119.08494	3.9
121.02854	11.3
121.06447	2.4
121.10075	1.5
123.04446	17.4
127.03843	3.9
129.06903	4.0
131.04887	8.6
131.06400	12.8
131.08461	2.6
132.04805	7.6
133.10117	2.0
135.07916	1.9
135.11549	1.7
137.09605	1.5
139.03906	7.2
142.08585	3.2
145.02850	8.4
145.10031	2.5
145.74522	1.3
147.04285	4.6
147.08054	1.8
147.11603	3.4
149.07452	100.0
151.03917	97.7
151.05093	3.0
157.10106	1.9
159.05843	3.2
163.11098	2.5
163.57875	1.4
165.12697	3.7
175.11026	2.7
177.05525	16.5
184.09647	2.1
191.14166	1.6
193.12099	6.1
194.59081	1.4
203.05141	2.9
209.15254	3.5
211.13310	6.6
222.07451	2.9
235.13228	7.6
259.13110	2.4
261.12701	36.7
267.12106	9.5
267.15845	6.8
273.07452	2.0
273.14667	3.0
279.13745	1.6
283.08014	2.6
290.34366	1.4
299.10721	12.3
301.14200	2.3
309.16693	2.9
368.74817	1.5
375.17725	2.9
393.18872	1.7
411.15381	5.2
429.16711	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01865	0.6
55.05516	0.6
56.96569	0.6
57.27551	0.5
63.95997	0.5
67.05500	1.5
69.03429	2.3
71.05001	1.2
71.54927	0.5
73.06523	0.5
79.05484	1.0
81.03413	2.7
81.07053	1.0
83.04969	1.2
85.02912	4.4
88.47654	0.5
89.03912	1.7
91.05461	1.0
93.07043	1.9
95.04977	0.6
95.08620	1.3
97.02921	2.8
97.12226	0.6
101.06029	2.1
103.05477	26.6
105.37787	0.6
107.04970	1.0
107.08576	1.3
109.02909	1.6
117.03392	3.8
119.08586	0.9
121.10159	1.0
127.03951	1.3
131.04939	100.0
133.10115	0.8
135.04469	0.8
145.02863	9.4
147.04434	1.6
148.04704	0.8
149.05988	8.0
149.09547	0.6
151.03952	5.7
177.05482	20.8
232.07138	3.1
249.18420	0.7
275.09088	3.2
293.10220	9.0
339.10870	1.6
429.15073	7.2
429.21594	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	429.2096
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
56.96603	0.4
68.66882	0.4
69.03436	1.3
69.07056	0.5
70.06580	0.6
71.29567	0.7
79.05494	0.6
82.69568	0.4
85.02929	1.1
92.05557	0.3
97.02908	0.8
98.97601	1.1
107.04967	0.8
109.02847	0.4
123.04483	0.6
127.03985	0.6
127.05069	1.0
154.05037	0.8
161.09291	0.5
172.52490	0.4
195.80347	0.4
200.32742	0.5
203.05339	1.6
206.28485	0.4
219.01817	0.7
225.09932	0.4
242.59242	0.4
246.16420	0.4
249.14731	0.5
267.15512	0.4
267.19553	0.4
336.45694	0.4
371.16791	2.5
411.20203	1.4
429.21222	100.0
430.21606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2096
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
55.05500	0.3
56.96569	0.2
69.03436	0.3
70.06604	0.4
70.82146	0.7
73.27650	0.3
78.66491	0.3
81.07034	0.5
85.02908	0.7
89.46623	0.3
105.03390	0.5
107.04957	0.6
184.71596	0.3
191.10426	0.3
203.05289	2.0
249.14777	0.7
367.13608	0.3
371.16791	0.9
405.75220	0.3
429.21024	100.0
430.21277	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47808	0.4
55.05512	0.7
56.96555	0.5
57.03421	0.6
62.92533	0.4
67.05498	0.9
69.03419	1.4
70.06588	0.5
71.04980	0.8
71.54217	0.7
79.05478	0.7
81.03420	1.0
81.07050	1.2
83.04990	0.5
85.02897	1.4
91.05468	3.6
92.05830	0.9
93.07050	1.5
94.04190	0.3
95.08603	0.6
97.02888	1.0
97.06522	0.6
98.97595	1.1
103.05472	0.6
105.07023	1.4
107.04987	2.2
107.08602	0.7
108.05323	0.6
109.02839	0.5
109.10152	0.9
117.07037	0.6
119.05000	0.4
119.08592	1.4
121.02876	0.4
121.06493	0.8
121.10152	0.8
123.04459	0.4
127.03914	0.6
131.04936	1.0
131.08533	0.6
133.06497	0.4
133.10101	0.6
135.11685	0.5
137.05989	0.5
139.03888	0.5
145.10136	0.6
147.04427	1.9
147.08096	0.5
153.01892	0.4
159.11583	0.4
163.11166	0.8
165.12856	0.4
167.06996	0.4
170.62572	0.3
174.88242	0.4
177.05450	0.6
181.12305	0.6
201.05322	0.4
217.04675	3.5
219.06270	0.7
228.07579	0.5
232.07077	40.5
233.07738	1.7
242.12555	0.4
245.07849	0.5
267.15707	0.4
272.12744	0.8
377.81570	0.4
381.13113	0.4
384.11530	0.7
398.13293	1.0
429.15222	100.0
429.19769	4.0
430.15564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1524
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
62.93964	0.5
69.58829	2.7
79.05516	0.5
85.02902	0.8
85.06551	0.5
91.05479	0.9
93.07025	0.7
98.21566	0.5
98.81465	0.6
103.05480	0.6
104.19708	0.6
121.02873	0.5
123.04469	0.5
128.30461	0.5
131.04916	2.6
147.04355	0.8
177.35522	0.5
191.09442	0.5
217.04732	4.3
228.07520	0.5
232.07071	41.7
233.07809	2.0
245.07814	0.7
249.14607	1.0
289.26236	0.5
304.49591	0.5
381.13275	0.6
429.15228	100.0
429.20770	13.0
430.15518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.05513	1.2
57.03441	0.5
65.03943	1.5
67.05505	0.9
69.03425	1.7
69.07079	0.5
69.65211	2.2
73.02906	0.4
79.05487	0.6
81.03416	1.2
81.07069	1.1
83.05000	1.0
85.02911	4.4
86.03232	0.6
91.05486	100.0
92.05832	0.7
93.07051	0.6
95.05001	2.6
97.02899	2.6
97.06551	0.5
98.54404	0.4
98.97616	0.7
100.12785	0.4
101.06000	0.7
105.03437	0.5
107.08555	0.4
109.02868	0.7
109.06540	0.6
109.10172	0.6
113.90618	0.4
121.06541	0.5
123.04379	0.5
125.49313	0.4
125.69761	0.4
127.03973	1.0
128.04967	1.4
129.07001	1.4
135.11687	0.6
141.05460	0.8
141.07043	0.8
143.08594	0.4
145.04947	0.8
145.10150	0.4
146.06029	9.6
147.04440	1.3
155.08546	1.1
157.10110	0.9
165.12779	2.0
166.13081	1.7
167.08527	2.6
169.10182	0.9
174.05518	7.3
174.06900	0.6
185.09607	3.8
195.08005	0.4
203.10681	0.5
213.09088	3.4
231.10202	2.2
247.17059	0.7
248.17404	2.1
249.11292	1.3
263.34259	0.5
265.17950	2.2
266.18341	5.5
300.08701	3.8
366.16110	0.5
369.74435	0.4
385.16037	0.6
428.16745	0.8
428.23322	0.7
447.99902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59637	1.4
56.96573	2.5
70.41295	3.1
73.50710	1.3
79.01598	1.1
79.05483	1.6
79.76231	1.2
81.03423	2.4
84.08171	2.0
85.02911	3.3
91.05799	1.9
97.02715	5.6
98.97605	5.0
101.00856	1.4
105.03357	2.0
107.04967	11.7
110.03419	1.8
110.97620	1.4
111.04254	2.0
116.98611	2.3
119.01938	1.8
122.06031	1.2
127.02409	1.5
127.03729	6.3
128.04478	2.5
129.03148	1.9
130.03934	2.0
131.01950	1.5
131.04965	1.5
143.04727	3.4
145.03485	3.7
153.80809	1.4
155.01930	3.1
157.03557	1.4
159.98036	2.4
160.98824	9.0
161.09274	5.5
167.05515	1.6
167.06915	1.4
173.03012	2.9
185.02977	1.6
185.04323	9.3
201.02408	3.0
201.05214	2.1
203.03979	7.1
212.09349	1.4
219.01736	3.2
221.05055	17.6
237.02902	4.2
239.02234	1.9
249.30620	1.3
257.05099	11.0
261.04663	2.4
267.02914	2.3
267.13458	4.9
275.06204	1.7
275.08896	11.5
277.02197	16.7
279.05756	2.6
300.00879	1.3
305.01901	4.0
323.02805	20.7
341.06674	36.6
359.02954	2.1
411.06482	3.7
429.08252	100.0
429.13409	4.6
429.21503	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	429.1185
Annotation	Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
51.02379	1.0
53.03953	0.7
65.03936	0.6
67.05496	1.4
67.69527	0.6
68.99787	1.4
70.68455	1.9
77.03914	1.0
79.05443	0.5
80.98480	0.5
85.02930	0.5
91.05486	1.7
93.07068	0.6
95.04977	1.7
105.03381	1.5
111.00842	1.0
111.04460	2.0
115.67756	0.5
119.04952	1.9
121.02886	0.6
123.04436	100.0
124.04779	1.0
127.44447	0.5
131.04933	0.8
135.04465	0.7
139.03911	38.1
140.87572	0.7
147.04428	12.3
151.03946	5.0
161.05971	0.6
163.03955	1.5
163.07629	0.8
165.05510	4.9
189.05482	0.9
207.28371	0.5
255.06740	0.7
262.71878	0.7
273.07590	22.2
307.44916	0.5
429.18854	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	428.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
56.96566	1.5
57.03439	1.8
65.03933	3.0
67.29911	1.4
69.03421	7.1
69.56004	9.3
70.06576	3.0
73.02898	1.5
77.03952	1.5
79.05488	2.3
81.03422	2.4
81.07047	5.9
84.72311	1.3
85.02912	8.3
91.05453	7.6
93.03392	4.3
95.04942	2.2
97.02885	4.1
98.97584	5.2
99.08101	3.7
101.06071	1.9
103.05524	2.1
105.03387	4.9
105.07006	3.1
107.04955	3.5
109.02854	2.9
109.06513	1.4
111.04430	4.3
115.03914	2.7
116.98614	2.2
117.09122	7.1
119.04960	12.3
121.06493	4.5
122.03647	3.7
123.04420	2.2
125.05981	4.1
127.03905	3.7
130.04111	1.4
131.04964	2.9
133.02907	2.5
133.06497	3.1
135.04492	2.3
135.08051	1.6
137.05984	100.0
139.03882	3.0
140.04256	1.8
145.04932	2.8
147.04413	20.1
147.08087	1.6
149.05992	6.4
150.06688	1.9
150.07800	3.1
151.07538	1.3
153.05533	7.7
153.06604	1.3
154.05016	11.1
158.99661	2.1
160.05238	1.3
161.05988	23.0
162.06763	6.5
163.03896	3.9
165.05487	2.4
167.07095	2.0
169.06453	1.3
169.26350	1.4
172.05276	2.0
175.07562	5.3
177.05450	2.8
179.03423	1.5
179.07130	8.7
189.50735	1.4
191.07036	5.0
203.07021	15.8
211.07317	1.8
221.08105	18.9
233.08122	2.9
237.02893	2.0
253.08601	2.6
265.08542	1.7
267.04855	2.1
267.10260	1.6
280.08060	1.7
285.11200	4.0
296.11752	1.6
297.11270	2.3
309.11212	3.7
325.10696	2.6
327.12271	1.7
339.12360	2.5
343.11774	4.9
345.13303	11.7
357.13419	2.6
380.13049	1.7
398.57880	1.4
428.15497	13.8
428.20557	4.1
429.17166	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	428.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
53.63313	0.4
55.01895	0.4
55.05517	0.5
57.03444	0.7
69.03436	4.0
69.07074	0.5
70.75423	0.9
70.75769	0.5
71.05001	1.3
79.05508	0.7
81.03430	3.8
81.07031	0.8
83.05001	0.7
85.02911	6.9
87.04501	0.5
91.05483	5.2
93.07070	0.8
95.04984	1.7
97.02901	9.3
98.97604	0.6
99.04463	1.5
101.06025	0.4
105.07017	0.5
107.04995	2.1
107.08581	0.8
109.02863	4.4
109.06573	0.6
117.06989	0.5
119.04982	0.5
119.08561	0.5
121.06503	0.7
127.03917	6.2
128.04964	13.0
131.04997	0.5
135.04465	0.6
136.08430	0.4
145.04868	0.4
146.06018	100.0
147.04413	3.0
147.06346	0.7
148.04779	0.4
156.04578	0.5
165.12758	1.2
166.13081	1.7
167.07106	0.6
168.07379	0.4
174.05516	79.6
175.05908	0.8
192.80840	0.4
213.09152	0.9
213.12749	0.7
231.13780	0.5
247.16943	0.5
248.17252	1.2
265.18005	1.3
266.18301	2.5
270.07559	1.1
276.98877	0.5
278.64261	0.4
282.07660	0.6
300.08682	40.0
318.09668	2.9
330.62103	0.5
385.15866	0.6
428.13123	1.6
428.18265	3.5
429.16025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93959	3.1
61.02909	5.4
62.08954	3.4
65.03942	3.3
69.03429	10.5
69.95464	3.1
70.06565	4.9
71.53557	5.1
75.61559	3.2
78.20713	3.4
81.03404	4.0
81.07066	4.4
81.69006	3.1
85.02913	20.7
91.05511	8.5
93.03391	5.7
95.04987	4.9
97.02898	9.4
98.97592	11.0
99.08102	3.7
105.03424	4.1
105.07014	5.2
107.04962	6.5
109.02936	3.7
111.04458	3.3
113.09556	3.3
116.98650	3.8
119.04971	11.5
121.02857	3.2
122.03667	7.0
125.06026	7.1
127.03886	8.2
133.44868	3.2
137.05986	100.0
138.06393	3.3
145.02870	3.6
147.04427	20.0
149.05998	12.6
153.05505	11.1
154.05046	14.4
158.99654	4.1
161.05995	33.0
161.56073	3.0
162.06801	7.0
168.05391	3.4
175.07552	8.3
177.05565	4.5
177.09253	4.4
179.07051	5.9
191.07104	3.6
203.07031	23.3
208.02872	3.4
221.08084	29.4
253.08672	4.1
258.84030	3.2
266.14069	6.9
285.11151	5.1
295.57776	3.2
297.11365	5.3
309.11392	6.5
343.11935	7.0
345.13422	14.8
388.24683	4.0
428.11981	12.9
428.16220	16.5
428.19968	12.9
429.21051	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	7-Oxostigmasterol
Peak:m/z	Relative Intensity
53.03933	1.0
55.05509	11.7
57.06834	0.9
57.07080	14.9
67.05509	11.1
69.07072	24.1
71.07107	1.0
71.08286	1.3
71.08637	14.0
73.00902	0.8
79.05492	10.5
81.07062	25.1
82.07411	1.1
83.08627	11.4
85.06533	1.1
85.10180	8.3
91.05484	8.9
93.06481	1.4
93.07046	21.3
95.08614	28.5
97.06520	1.8
97.10184	9.2
99.11718	1.6
105.07041	30.3
107.04924	0.9
107.08598	20.9
109.06508	1.1
109.09464	1.3
109.10165	15.1
111.08065	1.0
111.11723	6.6
117.07045	7.4
119.07799	1.7
119.08588	20.6
121.06506	2.4
121.10153	13.7
123.08089	1.7
123.11703	8.8
125.06015	1.3
125.13261	3.0
129.06990	2.7
131.08569	19.0
133.10144	17.7
135.08084	3.1
135.11687	11.3
137.09604	1.5
137.13237	4.9
139.07562	3.2
142.07773	1.1
143.08565	7.4
145.10126	21.4
147.08034	1.7
147.11707	9.2
149.09648	1.4
149.13261	6.9
151.07545	2.7
151.14812	1.7
153.09158	1.8
155.08548	1.4
157.10136	11.4
159.08139	1.4
159.11700	15.2
161.09590	1.5
161.13260	5.9
163.07564	6.7
163.11154	1.0
163.14821	2.6
165.09108	6.0
165.16571	0.9
167.10768	1.2
169.10193	2.5
171.11696	9.0
173.09612	1.0
173.13264	9.3
175.11259	1.6
175.14868	3.1
177.09138	3.4
177.16368	1.6
179.10669	1.7
181.10065	0.8
183.11668	2.3
185.13255	8.3
187.11224	1.4
187.14774	6.3
189.09071	0.9
189.16351	1.2
191.10706	7.2
191.17917	1.7
193.12262	3.5
197.13303	1.8
199.11263	1.0
199.14841	7.0
201.16388	2.1
203.10732	2.4
203.14413	1.0
203.18045	1.0
205.12300	3.2
205.19518	1.8
207.13687	1.1
207.21048	1.3
209.13309	2.1
211.90546	0.8
213.12852	1.5
213.16405	5.4
215.18076	1.2
217.12299	2.1
219.13857	5.9
219.21008	0.8
221.15332	1.5
221.22722	1.0
223.14841	0.9
227.14343	1.9
227.18001	5.2
229.19487	1.0
231.13857	2.2
233.15414	6.0
241.15846	1.2
241.19516	2.8
243.20842	0.9
245.15440	9.9
247.16930	3.1
247.24202	1.0
255.17386	1.2
255.21185	1.7
259.17023	5.8
261.25909	1.4
269.19052	3.5
269.22656	1.7
273.18585	8.5
275.27408	1.0
283.20670	1.3
283.24084	1.1
287.20065	11.2
289.28610	0.9
297.25797	1.2
299.27478	1.0
301.21555	2.0
311.23819	1.1
311.27325	1.1
315.23276	2.7
327.30411	2.2
329.24734	4.8
343.26266	1.8
357.28003	1.0
365.31998	0.9
367.33658	7.8
381.35120	2.3
385.34677	1.1
391.33560	2.3
409.34561	6.9
427.35739	100.0
428.35907	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06853	1.0
53.03945	2.6
53.70272	1.1
55.01859	3.0
55.05519	14.6
57.03429	4.2
57.07082	1.8
58.21604	1.0
59.04992	4.4
61.02914	4.4
65.03931	1.5
67.05491	4.3
69.03437	17.3
69.07074	6.7
70.95806	2.5
71.04993	2.7
73.02920	2.2
79.05495	5.2
81.03424	7.0
81.07058	8.4
83.04987	21.2
83.08611	1.7
83.81133	1.0
85.02909	42.5
85.06519	1.3
87.04442	3.1
91.03947	1.6
91.05483	47.6
93.07057	7.8
95.04971	25.7
95.08606	6.1
97.02897	9.3
99.04451	2.9
101.06019	12.7
105.07024	8.2
107.04942	4.1
107.08612	9.5
109.02869	4.5
109.06537	8.2
109.10155	8.1
111.04440	2.1
111.08009	0.9
113.06058	1.1
117.06992	2.5
119.04926	3.6
119.08602	8.4
121.06480	2.5
121.10130	6.5
123.11687	4.4
127.03933	8.8
129.07051	1.8
131.08569	4.7
133.10136	3.4
135.08058	6.4
135.11707	6.8
137.05952	1.1
137.09637	2.1
137.13289	1.5
143.08554	2.8
145.04947	5.5
145.10121	8.0
146.05981	4.7
147.04414	3.7
147.11664	7.9
149.09668	4.8
149.13268	1.2
151.07552	1.7
151.67696	1.0
157.10127	1.7
159.08044	4.0
159.11702	2.0
161.09683	1.9
161.13293	2.5
163.11186	4.3
165.12766	58.8
167.07030	2.5
167.08415	1.6
171.11667	2.0
173.09592	2.5
174.05501	3.2
175.14732	1.3
177.09111	5.1
177.16374	1.3
185.09625	2.2
187.14807	5.1
187.50568	1.0
189.12741	5.1
191.10707	6.0
201.05080	1.0
201.16418	1.3
205.15924	7.5
205.74934	1.0
213.09038	2.5
229.15874	5.2
247.16946	31.7
265.18002	100.0
266.18271	2.2
269.09735	1.1
300.08508	1.5
355.11642	1.2
365.15585	3.5
384.15680	2.4
409.22220	1.8
427.19031	7.9
427.24161	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	427.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.4
55.01871	3.3
55.05266	1.4
55.05514	17.2
55.73282	0.9
57.03432	3.7
59.04997	3.3
61.02914	4.1
65.03944	1.6
67.05501	3.6
68.62081	0.9
69.03435	16.6
69.07066	7.1
69.65545	5.8
71.04993	2.3
73.02916	2.1
79.05495	4.9
80.47260	1.0
81.03433	7.7
81.07056	7.8
83.04986	19.6
83.08617	2.0
85.02909	45.4
85.06537	1.2
87.04469	3.8
91.03938	2.4
91.05486	47.9
92.05794	1.0
93.07050	9.0
95.04967	23.1
95.08595	7.6
97.02896	14.8
97.06568	1.2
99.04451	2.9
101.06022	11.1
105.07035	5.7
107.04964	2.4
107.08604	9.8
109.02886	4.4
109.06517	8.9
109.10160	8.2
111.04429	1.4
111.08043	1.1
117.07072	1.1
119.04948	2.7
119.08588	6.5
121.06524	2.8
121.10130	7.7
123.04441	1.2
123.08068	3.2
123.11736	3.9
125.06009	1.2
127.03909	9.4
129.06992	2.0
131.08540	5.6
133.10130	2.1
133.26324	1.1
135.08067	7.7
135.11710	7.8
137.09641	2.4
139.07550	1.2
143.08548	1.2
145.04974	5.4
145.06447	1.1
145.10138	6.9
146.06052	4.5
147.04431	3.3
147.08031	1.3
147.11722	7.4
148.04613	1.3
149.09659	4.9
157.10101	1.3
159.08087	3.3
159.11668	3.1
161.09645	2.7
161.13315	1.9
163.07419	1.1
163.11195	5.7
163.14861	1.4
165.12762	54.8
167.07050	2.1
169.10120	1.5
170.17834	1.1
171.11639	2.7
173.09653	2.1
173.13365	1.6
174.05563	4.9
177.09113	4.5
179.10634	1.2
185.09607	2.4
187.14848	3.4
189.12784	3.7
191.10699	6.5
205.15868	8.7
211.14838	1.5
213.09183	2.8
217.15921	1.5
219.17456	1.5
229.15868	3.9
235.16940	1.5
247.16954	34.9
265.17993	100.0
266.18359	1.8
300.08475	1.1
365.15552	3.0
384.15680	2.5
409.16580	1.6
409.22147	2.2
427.19156	7.8
427.24164	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1964
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
50.07568	1.5
52.69369	1.4
53.03936	3.4
55.01841	2.0
55.05505	4.1
56.96540	3.5
57.03429	1.7
60.80821	1.5
61.02915	3.5
67.05492	6.9
69.03439	23.3
69.07060	1.7
69.58471	10.3
71.04962	4.7
79.05469	6.4
81.03392	6.5
81.07023	5.0
83.01305	1.8
83.04964	3.5
85.02918	32.1
87.04442	2.0
91.05488	12.5
93.07040	10.9
95.04977	12.7
95.08583	6.8
97.02908	12.1
97.06509	2.8
98.97563	6.9
99.04426	5.1
105.07034	21.5
107.08550	6.5
109.02834	7.1
109.06534	11.8
109.10176	3.4
111.04463	8.1
111.08003	2.4
113.05993	7.2
115.05430	1.7
116.98605	2.0
117.06985	4.7
119.04913	1.8
119.08590	24.8
121.02859	1.6
121.06507	9.1
121.10104	5.3
123.04420	2.8
123.08018	7.4
125.09581	1.7
127.03870	6.2
129.06973	3.2
130.07794	1.6
130.08714	1.6
131.07750	1.4
131.08572	10.9
133.06496	3.7
133.10080	6.4
135.04474	1.9
135.05486	3.6
135.07135	1.9
135.08057	19.5
137.09601	5.8
139.03833	4.5
142.07713	2.1
143.08542	3.5
144.09267	2.7
145.04910	5.4
145.06444	5.2
145.10161	9.3
147.08107	10.2
147.11685	4.4
149.09554	3.7
150.06718	2.2
150.07756	18.6
154.04918	5.7
155.08534	3.1
156.09265	1.9
157.10152	8.8
158.07243	6.5
158.99617	2.8
159.08096	7.9
159.11691	14.4
160.08823	2.3
161.05853	2.7
161.09618	14.0
161.13240	4.8
163.03841	2.2
165.09096	11.6
168.09340	2.1
172.08775	4.5
173.09610	5.7
173.13219	5.4
175.07555	21.3
175.11189	13.5
183.11676	3.4
185.09608	2.8
187.11182	12.9
189.09068	5.1
189.12642	3.9
193.08549	4.9
199.11119	4.3
201.12790	10.7
203.10678	17.4
205.07082	1.8
211.11127	5.7
217.12311	8.2
219.13849	3.8
229.12254	9.9
232.09424	2.1
235.13245	6.1
239.96574	1.7
247.13345	35.1
265.14355	91.6
269.36697	1.7
275.05295	2.3
280.08069	1.7
295.11377	4.9
345.60599	1.6
409.14001	2.8
426.70267	3.1
427.15561	100.0
428.15491	3.6
438.45966	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.96558	0.8
67.05475	0.3
69.03414	0.7
69.07056	0.3
70.03747	0.3
71.05007	0.5
71.54266	0.3
73.02914	0.3
78.58670	0.3
81.07047	0.4
85.02897	0.8
91.05489	0.3
94.04037	0.4
97.02898	0.3
97.06580	0.4
98.97588	2.4
100.48603	0.3
107.04961	0.5
109.02888	0.3
109.06491	0.3
116.98618	0.7
121.03094	0.4
123.08183	0.3
127.04004	0.3
143.00101	0.3
147.04443	0.6
148.04816	0.3
150.07758	39.9
157.59117	0.4
161.02893	0.3
188.96037	0.3
203.05295	1.1
205.05350	0.5
219.01772	0.4
223.06511	0.4
237.02739	0.3
247.06436	0.7
249.08029	0.5
265.07523	2.7
283.08548	2.1
295.11481	8.6
307.08563	2.1
307.13974	0.8
325.09586	0.6
367.10901	0.4
427.19434	100.0
428.19775	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1937
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
52.62538	0.4
52.91887	0.4
56.96546	0.5
68.86456	0.3
69.03443	0.4
70.79968	0.5
70.80304	0.9
84.73782	0.4
85.02906	0.7
89.06017	1.6
90.06341	0.4
91.05437	0.4
97.02835	0.9
98.97576	1.1
127.03927	0.7
135.06532	0.6
147.04408	1.1
148.04735	0.9
195.40379	0.4
196.36591	0.4
205.05356	1.6
205.77063	0.4
223.06326	1.1
247.06482	0.6
264.12408	0.4
265.07480	3.1
283.08575	3.5
289.12857	0.5
307.08383	2.7
325.09497	0.8
367.10684	1.1
427.13705	15.9
427.19360	100.0
428.14145	0.6
428.19608	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1942
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
56.08213	0.3
56.96557	0.4
67.05471	0.4
69.03433	0.8
71.04985	0.4
71.56866	0.5
74.15761	0.3
79.05486	0.5
81.03384	0.5
81.07069	0.3
83.04991	0.5
85.02904	1.0
91.05528	0.3
93.07042	0.8
95.08620	0.4
105.07052	0.6
107.08550	0.7
119.08598	0.6
121.02942	0.4
121.10173	0.4
123.08073	1.3
127.03907	0.7
139.03857	0.4
145.10193	0.4
147.04395	0.8
148.34903	0.4
175.07625	0.3
177.05449	0.4
189.08904	0.6
203.05292	2.3
206.95782	0.3
247.13058	8.0
247.16971	0.7
256.16312	0.3
265.14093	2.2
427.19449	100.0
428.19812	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	427.1367
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
51.14365	0.7
56.96564	8.7
66.30470	0.8
70.84032	2.0
86.09489	0.9
98.97585	7.9
102.91191	0.8
105.83897	0.9
110.97580	2.2
112.01537	0.7
116.98608	2.0
125.18167	0.8
127.86566	0.8
128.44925	0.8
131.04039	0.8
139.00676	2.4
157.01782	1.4
158.99681	1.5
160.10809	0.7
163.00758	0.8
165.02121	0.8
177.02092	1.0
177.56151	1.0
193.05412	3.4
203.03650	2.0
205.05353	7.7
207.03360	2.0
211.06461	2.9
219.01785	3.7
221.04924	3.1
223.06412	24.3
225.04352	2.0
237.02867	2.9
241.07462	4.0
244.98439	1.1
247.06450	5.5
265.07437	9.5
271.08789	1.3
283.08475	7.5
295.06036	3.4
307.08698	1.4
349.07126	1.8
367.10620	25.0
409.09122	1.9
427.13333	100.0
427.19434	4.9
428.13657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1581
Annotation	Bruceine H
Peak:m/z	Relative Intensity
53.03931	1.5
55.05497	2.8
57.07065	1.5
59.04962	0.9
59.28786	0.9
59.66029	1.0
69.03410	2.7
69.07050	1.5
69.61291	6.1
76.06103	1.0
78.44878	0.8
79.05473	1.3
81.03394	3.0
81.07063	1.8
82.80715	0.9
83.04946	4.4
83.08601	1.4
85.02901	7.7
91.05486	9.8
93.07034	2.0
95.04989	4.9
95.08605	1.9
97.02862	2.7
97.06476	1.0
98.20779	1.9
98.97538	1.2
99.04434	1.3
101.05992	1.8
105.07009	1.7
107.04944	2.4
107.08562	2.4
109.06541	1.1
109.10136	2.1
119.04884	2.0
119.08557	1.5
121.10120	2.4
123.04485	1.3
127.03886	1.6
131.04869	2.3
131.08528	2.3
135.08025	2.0
135.11635	1.9
145.04922	1.4
145.10068	1.9
147.04451	6.0
147.11586	1.2
149.09599	1.7
154.02969	1.0
154.07690	1.1
159.07971	1.1
161.09531	1.4
163.03638	4.2
165.12773	7.6
167.07010	6.2
169.04726	2.2
177.09041	1.4
181.04675	1.6
185.09531	2.0
187.07506	1.5
189.12701	1.5
198.06709	3.0
213.09018	4.0
223.31290	1.0
225.09123	1.6
243.10323	1.2
247.16914	6.5
265.18008	17.1
269.09982	11.5
275.10657	1.1
285.09543	5.4
287.10794	3.9
304.19220	1.1
323.08789	1.3
338.11542	1.7
339.12128	1.4
351.12131	1.7
353.13660	1.4
355.11826	2.3
363.12283	1.9
365.15741	70.0
369.13245	1.5
381.10553	1.2
381.15231	22.5
383.14749	1.9
384.15668	10.4
409.14734	13.4
427.15601	100.0
428.15759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1732
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
55.05520	1.2
56.20950	1.1
56.96545	3.0
69.03410	3.3
71.04981	1.0
71.38494	2.0
71.50053	1.0
75.01889	1.0
76.17804	0.9
78.11897	1.0
79.05486	1.6
81.03404	1.9
81.07067	1.3
83.04966	0.9
85.02882	3.1
91.05450	3.3
93.56972	1.0
95.26519	1.0
96.26243	1.0
97.02868	2.1
98.97600	11.4
105.03407	1.3
105.06972	1.1
106.02885	3.4
107.03235	2.6
107.04919	1.6
107.45528	1.1
109.02855	1.6
110.06016	1.0
110.70678	1.0
113.54956	0.9
116.71545	1.0
116.98647	2.5
119.08508	1.0
120.08109	1.2
121.02806	1.5
123.04398	1.6
124.03959	6.3
125.04295	2.6
127.03856	2.4
135.08009	1.2
147.04422	8.1
153.01953	1.0
158.99625	3.2
177.00656	2.1
219.01683	1.0
221.08414	1.9
237.02744	1.7
239.09610	1.8
250.06911	1.3
251.07350	1.8
265.07184	1.4
265.11035	4.4
268.08221	1.2
269.08395	3.3
283.12033	1.8
304.65680	1.1
307.12143	8.2
321.00552	1.2
325.13312	2.7
427.17184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01876	8.3
56.30175	1.4
56.96538	1.6
57.03439	2.1
57.07061	6.0
58.77648	1.4
59.04998	2.0
64.80603	1.5
67.05500	6.1
69.03445	11.8
69.07058	7.2
69.90628	6.0
70.02951	6.8
70.06571	1.6
71.05001	2.5
72.04520	22.7
73.02924	15.5
74.02455	1.8
79.05451	1.5
81.02972	2.4
81.03416	17.7
81.07066	2.3
83.04967	7.0
85.02892	14.2
85.06572	9.2
85.06995	1.8
86.09716	3.7
87.04446	2.8
87.08107	2.2
90.05557	40.5
95.04984	8.8
96.08143	1.8
97.02895	16.3
98.02422	20.4
98.97591	2.6
99.04456	8.3
100.03974	6.5
103.07580	4.2
105.81915	1.7
107.04933	1.9
109.02885	24.4
113.05991	6.1
116.03468	16.3
124.07597	27.4
127.03917	17.6
130.08592	2.3
131.07050	4.0
132.06583	8.9
135.08005	1.7
135.09775	1.3
137.06004	1.8
138.05504	1.9
139.03911	2.7
141.05473	3.4
142.08647	16.4
145.04941	7.8
160.09685	7.9
166.08670	3.2
169.04910	1.7
172.09706	5.2
174.11304	7.3
180.06522	1.7
184.09702	36.6
198.07565	4.2
199.06053	5.7
202.10762	100.0
203.11533	3.3
211.09668	9.5
212.09015	1.6
216.08685	5.9
217.07051	5.9
219.01579	1.5
220.11827	24.6
226.10751	1.4
230.10260	12.0
234.09776	10.0
237.02777	3.2
244.11897	3.3
247.11748	2.8
262.12872	20.7
264.12262	1.8
296.13379	1.9
310.12875	10.1
328.13916	78.1
346.14996	14.2
364.16055	35.2
408.18893	2.2
409.14517	1.6
426.13791	3.5
426.19351	1.6
427.11069	15.3
427.16537	5.2
448.29648	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05503	6.0
57.07073	8.4
67.05519	11.4
69.07082	18.0
69.49313	1.7
70.85000	4.7
71.08643	4.9
75.11995	1.7
79.05487	6.6
81.07071	21.8
83.08607	7.8
91.05478	5.1
93.07041	13.2
95.08615	31.1
95.39681	1.8
97.10189	3.9
105.07018	11.3
107.08607	17.6
109.10155	19.1
111.11686	2.5
113.00025	7.0
115.36469	1.8
119.08579	13.1
121.10140	17.3
123.11729	8.5
131.08539	4.8
133.10143	11.9
135.11771	9.1
137.13252	5.5
143.08557	3.1
145.10161	5.9
147.11693	8.8
149.13266	6.8
159.11705	7.0
161.13274	8.3
163.14833	7.1
165.09132	10.2
169.02638	9.8
171.11777	3.8
173.13297	6.4
175.14867	5.2
185.13246	2.7
187.14899	5.5
189.16312	3.3
191.17921	4.1
199.14827	3.8
201.16447	3.8
203.17979	7.7
205.19525	2.2
213.16310	2.5
215.18089	2.8
217.19524	5.8
219.21077	2.3
227.18010	2.4
229.19646	4.1
231.21213	3.3
255.21001	1.9
287.23834	2.6
313.27509	5.6
351.30396	2.1
372.03391	2.4
407.36856	13.2
425.21707	14.3
425.28815	100.0
425.37869	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	426.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
57.03428	2.2
57.07063	1.4
61.02900	2.1
67.05487	1.7
69.03423	9.7
71.04994	20.4
71.48035	1.6
73.02906	1.1
79.05465	0.9
80.58473	0.9
81.03416	8.0
83.04960	2.8
85.02449	1.0
85.02910	18.5
85.06535	1.3
87.04452	1.5
87.84719	0.9
89.06033	100.0
91.05483	5.4
93.07017	1.1
95.04960	5.1
97.02894	32.3
98.97556	2.9
99.04469	5.6
100.07603	1.1
109.02223	1.2
109.02882	13.1
110.03162	0.9
111.04382	1.0
113.06011	7.5
118.08681	4.3
118.09336	1.0
119.04960	6.7
121.68867	1.0
123.04393	1.4
127.03088	1.3
127.03913	15.4
131.07048	21.0
135.06528	30.5
144.04414	1.1
145.03928	1.2
145.04965	16.7
147.04413	44.7
162.05550	5.5
163.05890	1.4
167.07007	1.1
177.07608	0.9
190.05017	5.5
197.08080	3.3
205.05319	0.9
215.09096	2.5
243.08588	4.1
261.09711	19.5
264.12286	5.2
265.07422	2.1
275.91425	0.8
279.10764	7.1
283.08499	2.3
293.12442	2.1
307.08591	2.0
316.08066	2.3
356.50684	0.9
367.10602	1.5
426.14310	39.6
427.13120	7.6
427.19238	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.08214	4.4
55.05503	19.2
57.07076	10.5
57.95251	4.4
67.05508	29.6
69.07076	47.5
69.88666	22.9
71.08620	4.6
79.05488	17.9
81.07059	100.0
83.08626	21.7
86.15195	4.2
89.06025	8.1
91.05485	14.8
93.07048	47.5
95.08613	82.7
97.10188	10.2
98.21431	5.0
104.26283	4.2
105.07018	35.3
107.08598	67.3
109.10161	75.9
119.08584	54.2
121.10155	72.0
123.11727	39.5
127.11204	17.3
131.08572	11.8
133.08595	5.4
133.10152	29.9
135.11710	50.0
137.13245	20.3
145.10155	20.2
147.11674	33.5
149.13266	42.6
151.14909	5.0
157.10110	8.2
159.11667	29.9
161.13278	28.5
163.14810	23.4
171.11728	8.0
173.13278	20.1
175.14810	19.9
177.16402	15.3
185.13245	6.1
187.14862	8.9
189.16426	19.2
191.17943	13.5
201.16443	9.3
203.17963	18.3
213.16394	6.9
215.18016	11.5
217.19533	20.4
229.19545	14.0
231.21127	7.9
239.14932	4.4
257.22687	4.7
271.24396	7.6
283.24469	4.6
285.25836	4.9
407.36801	16.8
425.32346	6.5
425.37863	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1787
Annotation	Grandidentatin
Peak:m/z	Relative Intensity
52.36530	0.6
56.96579	0.8
65.03929	0.5
67.05502	0.9
69.03411	1.1
69.07074	0.6
71.14933	0.9
71.15266	0.6
72.04521	0.8
81.03436	0.9
81.07047	1.5
85.02896	1.4
85.06554	0.7
91.05488	2.0
93.07058	0.8
95.04950	1.0
95.08636	1.2
96.04507	4.6
97.02909	0.8
97.04848	1.4
97.06534	0.6
98.97578	1.9
102.11879	0.5
105.07034	1.5
107.08587	0.9
109.10149	0.8
119.04948	3.8
121.02844	0.8
121.10133	1.0
123.04449	0.8
124.04346	0.5
127.03916	0.8
131.04961	0.9
131.08592	0.6
133.10127	0.8
139.03862	1.2
147.03270	0.7
147.04427	13.5
149.07434	1.6
150.07712	0.8
167.08336	0.5
177.05507	2.5
201.90485	0.5
235.05180	1.0
261.12708	3.2
273.03958	4.9
341.10513	0.6
377.85812	0.5
425.17807	100.0
426.18338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1811
Annotation	Grandidentatin
Peak:m/z	Relative Intensity
53.03934	0.4
54.91705	0.4
65.03949	0.5
69.03427	0.8
69.17905	0.3
81.03436	1.6
81.07051	0.7
85.02897	1.3
91.05484	6.0
97.02865	0.5
98.97585	0.8
99.08068	0.4
105.03407	0.7
105.07033	0.4
109.02916	0.4
119.04943	18.3
123.04453	0.3
127.03915	0.5
133.10143	0.3
147.04413	100.0
148.04788	0.7
149.07449	0.5
165.05492	4.0
166.61020	0.3
179.03351	0.5
218.08318	0.5
263.12842	0.5
264.92755	0.4
273.04019	0.6
291.08716	1.5
295.10925	0.5
309.09729	4.6
407.16232	0.6
425.16586	0.6
425.21930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1812
Annotation	Grandidentatin
Peak:m/z	Relative Intensity
55.05504	0.3
56.96568	0.3
57.03436	0.3
61.40165	0.3
65.03941	0.7
67.05515	0.3
69.03418	1.2
69.07083	0.5
70.22339	0.8
79.05485	0.7
81.03411	1.2
81.07059	1.4
85.02912	1.6
91.05482	7.2
93.07052	0.7
97.02871	0.8
98.20787	0.4
98.97622	0.5
99.08107	0.3
105.07027	0.5
107.04981	0.3
107.08597	0.5
109.02882	0.6
109.10128	0.4
119.04951	17.1
119.08552	0.4
123.04445	0.9
127.03902	0.6
131.04962	0.7
131.08603	0.4
139.03879	0.6
143.08636	0.3
145.10107	0.6
147.04419	100.0
148.04732	1.0
151.03903	1.1
153.58820	0.3
165.05478	4.2
180.03589	0.3
193.08646	0.5
207.06555	0.6
243.75388	0.3
263.12820	0.4
273.14893	1.7
289.75647	0.3
291.08734	2.3
309.09668	5.3
356.11938	0.5
425.17157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03966	5.4
55.05493	18.4
55.05735	4.9
57.07056	15.0
57.17963	3.7
67.05513	25.8
69.07070	44.3
69.27325	18.3
69.27749	19.8
71.08630	9.8
71.41177	3.8
73.38900	4.4
79.05487	16.9
81.06586	5.6
81.07053	73.5
83.08616	23.8
89.06007	8.9
91.05476	18.4
93.07037	45.5
95.08057	6.6
95.08613	96.2
97.10155	15.2
98.21507	8.8
105.07038	32.9
106.56532	4.7
107.08588	50.4
109.10155	72.6
119.08585	46.0
121.10147	50.7
123.11687	35.4
125.13269	6.8
131.08546	11.8
133.10123	38.7
135.11687	28.3
137.13232	12.1
145.10121	19.9
147.11682	29.1
149.13252	28.2
155.08467	5.7
157.10135	5.0
159.11670	19.2
161.13251	31.5
163.14806	15.4
171.11673	7.7
173.13287	20.1
175.14810	18.8
177.16351	13.2
185.13214	10.2
187.14790	15.9
189.16396	12.2
191.17923	12.0
201.16428	20.8
203.17964	9.1
205.19330	4.7
210.09254	4.0
213.16266	4.8
215.17995	10.7
217.19701	7.4
227.17946	5.2
229.19519	11.9
231.21007	9.4
239.14952	4.9
245.22678	5.8
247.20602	5.0
255.33727	4.6
259.24298	4.9
269.22595	6.0
271.24347	5.6
287.23727	5.0
297.25748	5.1
299.23785	5.4
315.26639	5.1
325.29034	4.7
343.29611	4.4
374.12650	4.1
407.36673	38.6
425.21283	16.3
425.38031	100.0
431.47656	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06369	0.5
61.43581	0.5
70.33128	2.6
80.36831	0.7
81.03405	1.1
82.99448	0.6
82.99867	2.8
94.99844	0.8
97.02892	0.7
98.21437	0.6
101.00887	15.0
110.13253	0.6
113.00893	4.2
119.01149	1.1
119.01929	12.8
125.06770	0.6
127.02462	3.8
129.00267	0.7
131.01913	6.8
131.91763	0.6
139.02411	2.0
143.01900	39.1
144.02100	0.6
145.03444	7.0
147.01347	0.8
155.01900	15.6
157.03468	3.7
161.02966	32.5
167.01906	10.9
169.03450	3.1
171.05038	1.5
173.02968	14.4
175.04587	0.8
179.01915	5.4
179.03479	0.8
184.04549	0.7
185.02963	33.8
187.04539	3.1
191.03995	3.1
197.02957	13.9
199.04312	0.7
203.04025	12.9
209.02945	1.5
215.04001	7.2
221.05006	0.9
227.04024	7.9
245.05080	100.0
246.05238	2.4
257.05087	6.2
263.06137	20.2
275.06125	14.4
293.04291	0.6
293.07196	3.3
305.07208	9.0
333.95569	0.6
335.08252	4.0
365.09305	9.8
425.11423	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1427
Annotation	Fortuneanoside E
Peak:m/z	Relative Intensity
53.13039	0.7
53.27077	0.7
54.70145	0.6
55.05489	0.6
56.96547	1.7
67.05473	2.3
67.08792	0.7
69.03411	1.5
69.07052	1.0
70.06590	1.1
71.04967	1.3
71.54337	0.9
71.54775	0.7
79.05521	3.3
81.03377	1.5
81.07027	1.3
85.02857	2.1
86.09757	0.7
91.05480	4.6
93.07010	2.5
95.04951	0.8
95.08580	1.6
97.02838	1.1
98.97578	4.5
99.04407	1.9
100.36592	0.7
105.06954	0.8
107.04966	3.7
107.08627	0.9
109.02821	0.8
109.10139	1.8
110.97541	1.6
111.04429	1.4
116.07053	1.1
119.04947	8.4
120.05251	0.7
121.10095	1.3
123.04410	1.2
127.03829	1.1
128.98569	1.2
131.08522	0.9
139.03876	1.2
147.04431	31.5
148.04723	4.1
153.01833	3.3
158.99576	1.3
163.03864	0.7
165.05420	1.2
167.03366	1.0
170.99547	0.9
177.05424	1.7
179.03435	4.5
209.03171	0.7
217.08553	1.2
219.01608	1.2
227.19839	1.6
237.02693	1.6
237.07773	0.8
245.08020	2.2
245.20695	0.6
251.08655	1.2
260.08954	3.0
263.09167	49.2
264.09427	0.9
281.10638	1.0
303.24069	0.7
305.10428	0.8
323.11383	0.8
344.14642	0.7
386.84665	0.7
425.13931	100.0
426.14319	2.4
443.15411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05511	15.4
56.96553	3.0
57.03423	3.5
61.02921	2.4
67.05494	8.0
69.03421	8.6
69.07085	3.5
69.69013	6.6
69.69421	3.1
70.06584	2.9
71.04993	8.1
79.05476	6.4
81.03401	2.1
81.07043	10.8
83.04961	6.9
83.08631	14.1
84.78111	1.6
85.02911	14.2
85.06561	3.0
87.04456	1.8
87.12603	1.7
91.05467	6.2
92.27989	1.7
93.07053	13.0
95.04975	12.1
95.08599	10.2
97.02872	5.8
97.06532	5.8
97.10178	1.7
98.21523	1.8
98.97585	4.4
99.04426	5.9
104.03994	1.6
105.03382	2.8
105.07040	18.1
107.04967	4.8
107.08592	18.2
109.06541	4.6
109.10167	10.3
111.04442	2.2
111.08035	1.9
116.07094	2.5
117.94523	1.6
119.08576	9.2
121.10149	84.1
123.04411	4.0
123.08138	2.6
123.11722	4.4
127.03899	4.9
131.08574	7.1
133.10144	15.6
135.08049	2.4
135.11690	6.9
137.09645	3.2
139.03903	4.0
139.11189	21.4
145.04947	4.6
145.10138	4.0
147.04393	3.8
147.11690	17.9
149.09560	4.9
149.13243	2.6
151.11169	15.9
151.73711	1.7
153.09059	3.4
158.30804	1.7
163.03957	1.9
163.14825	6.2
165.12750	7.6
167.14323	18.1
171.06502	3.4
173.13261	16.2
184.45691	1.7
191.14304	23.2
209.15372	100.0
218.08067	2.0
219.01770	2.1
227.12817	5.0
227.16435	9.4
237.02827	1.9
245.13710	1.9
280.15549	1.8
290.21149	2.0
369.92728	1.9
424.12677	1.8
424.18643	2.0
425.10352	3.2
425.17798	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	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.1
62.29853	0.5
69.36236	4.6
70.99879	0.6
75.47198	0.5
76.91693	0.6
79.07279	0.5
81.03410	0.7
82.99823	3.0
83.77872	0.5
85.02900	1.3
94.99783	0.5
97.02902	1.3
98.97588	3.0
101.00879	15.8
102.00827	0.5
107.04955	0.6
109.02877	1.1
110.97537	0.7
113.00897	3.6
113.08860	0.5
114.93786	0.4
115.02420	0.6
116.98600	1.0
119.01911	13.5
127.02412	3.6
127.03903	0.8
129.00299	0.8
131.01912	6.4
133.03438	0.5
139.02391	0.9
143.01897	38.8
144.02010	0.7
145.03471	7.3
149.02936	0.7
151.22604	0.5
153.03964	0.9
154.96538	0.8
155.01892	16.5
157.03473	5.6
158.99608	1.0
161.02960	34.3
162.03073	0.7
163.04466	0.7
167.01920	11.8
169.03458	2.7
171.05034	1.9
172.97647	0.7
173.02968	17.6
175.04507	1.6
179.01933	5.6
181.03468	0.6
185.02956	30.9
187.04530	3.5
189.00648	1.0
191.02361	0.6
191.04018	3.4
197.02962	13.2
203.04005	13.3
209.03018	1.6
215.03990	5.9
219.01711	0.7
221.05040	1.7
227.04008	7.9
233.04985	1.0
237.02870	0.5
239.03995	1.1
245.05077	100.0
246.05330	1.9
257.05017	6.1
263.06137	23.7
275.06113	12.2
281.01715	0.8
286.07672	1.0
293.07150	2.7
295.05673	0.5
305.07187	10.2
307.08759	0.9
323.02963	0.8
335.08179	4.1
365.04398	0.9
365.09283	8.9
366.09717	0.6
383.10248	0.5
425.11359	4.5
435.22324	0.5
447.17160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01862	1.0
55.05513	5.0
57.03415	1.9
57.07076	3.6
57.41238	0.5
65.75719	0.5
67.05506	11.9
68.51712	0.5
69.03407	0.6
69.07069	6.6
71.04971	1.2
71.08628	3.5
71.57085	0.7
73.20813	0.4
75.04482	0.5
79.05491	5.0
81.06586	0.9
81.07053	13.4
83.04976	2.0
83.08631	3.1
85.06537	3.0
91.05474	3.9
91.28146	0.4
93.06492	0.5
93.07045	8.4
95.04945	1.3
95.08604	9.9
97.06517	1.9
97.10164	1.4
99.08067	2.2
105.07033	4.1
105.60420	0.5
107.08597	8.3
109.06521	15.2
109.08501	0.4
109.10153	7.1
111.08117	1.1
117.07031	1.1
119.08578	4.5
121.06557	0.5
121.10153	5.3
122.07257	1.2
123.08069	28.9
123.11688	1.9
125.09604	0.6
131.08533	1.7
133.10124	3.6
135.07123	0.5
135.08069	6.2
135.11661	1.5
137.09633	1.8
137.13219	0.8
139.11235	0.5
143.08577	0.6
145.10135	2.7
147.11697	2.6
149.09630	1.9
149.13216	2.2
150.55270	0.5
151.14847	0.5
158.71843	0.5
159.11647	1.3
161.09634	0.8
161.13287	1.6
163.11140	0.6
163.14804	0.5
165.12723	1.1
167.14352	1.1
171.11734	0.6
173.11761	1.0
173.13174	0.9
175.14862	0.8
177.12714	2.2
177.16330	0.5
179.14311	62.6
180.14650	0.8
187.14822	0.5
189.12509	0.5
189.16342	0.9
191.14378	0.8
193.15903	1.6
196.41780	0.5
205.15904	2.7
219.17455	0.5
233.19019	1.2
247.20767	0.6
263.20190	0.6
271.06046	0.6
275.20029	2.4
289.25269	0.7
293.21219	1.5
303.26773	2.3
315.58890	0.5
331.26306	26.6
332.27008	0.5
349.27374	6.5
367.24933	0.5
369.80011	0.5
405.29886	2.1
423.31107	100.0
424.31561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
53.08717	0.9
55.01866	1.3
55.05520	5.9
57.03426	2.7
57.07075	2.8
57.49093	1.0
59.05002	0.8
60.86979	0.8
63.37278	0.9
67.05508	17.9
69.07075	7.8
71.04976	1.7
71.08632	2.8
71.30091	0.7
71.57329	1.4
79.05499	7.5
81.07059	14.5
83.04996	2.1
83.08632	5.9
85.06554	1.9
90.55920	0.9
91.05493	6.7
93.07050	11.6
95.04938	1.2
95.08605	12.1
97.06548	2.4
97.10178	1.8
99.08113	1.9
105.07019	4.7
107.08613	9.4
109.06525	10.2
109.10158	12.6
111.08086	1.2
117.07079	1.9
119.08563	5.6
121.10146	5.7
123.08078	34.5
123.11720	2.6
129.06949	0.9
131.08589	3.0
133.10139	3.7
135.08052	7.8
135.11728	3.7
137.09648	2.7
145.10146	2.9
147.11719	3.0
149.09641	2.1
149.13205	4.4
159.11722	3.9
163.11227	1.1
165.12817	1.1
167.14453	1.2
173.11775	2.3
173.13313	1.8
177.12813	3.5
179.14317	39.8
190.49037	1.0
193.15926	1.1
195.13750	1.2
205.15826	1.6
231.11665	0.9
271.06186	1.2
275.20004	4.2
289.25259	1.0
303.26855	3.7
331.26312	29.4
331.30035	1.8
349.27573	1.4
355.89886	0.9
367.25174	1.1
407.19138	1.0
423.31213	100.0
424.31668	1.4
442.91324	1.0
449.98288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65159	1.4
54.65475	1.5
55.05520	9.1
57.03420	2.6
57.07071	4.1
62.14232	1.4
67.05509	12.1
69.07063	10.0
71.05006	2.1
71.08638	4.1
71.55640	1.6
72.08145	2.5
79.05495	4.9
81.07059	16.8
83.04990	1.5
83.08627	5.7
91.05488	4.2
93.07053	9.9
95.04996	1.9
95.08610	17.1
97.06528	3.1
97.10130	2.3
99.08138	1.5
105.07027	6.3
105.45081	1.3
107.08597	9.5
109.06527	10.9
109.10175	8.5
111.08104	3.0
113.00033	3.5
119.08574	8.4
120.67965	1.3
121.10165	8.5
122.21911	1.4
123.08076	31.0
123.11698	3.6
131.08609	2.4
133.10129	4.1
135.08067	5.8
135.11705	3.5
137.09642	1.8
139.11174	1.5
145.10155	2.8
147.11710	4.5
149.09604	2.8
149.13319	2.4
151.11305	1.5
155.08659	1.5
159.11691	3.7
161.13304	2.4
165.12784	2.2
169.02625	3.8
173.13281	1.6
175.14813	1.7
177.12880	1.7
179.14308	45.3
193.16014	2.3
201.16426	1.5
205.15866	2.4
250.69826	1.9
283.71640	1.5
303.26859	2.0
311.25812	4.8
331.26309	25.8
349.27444	6.0
367.25098	1.6
374.21173	1.6
423.31107	100.0
424.31390	2.0
437.08948	1.7
441.45221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.35856	0.4
55.05511	3.8
57.07069	2.0
60.75088	0.4
67.01886	0.4
67.05509	7.8
68.99777	1.0
69.03439	0.6
69.07065	6.1
71.04963	0.5
71.08610	1.4
79.05492	2.5
81.03436	1.2
81.07055	11.2
83.04987	0.8
83.08619	4.3
85.10177	0.8
91.05473	1.8
93.07041	4.1
95.08610	13.1
97.02892	0.6
97.06541	1.4
97.10157	4.0
98.21516	1.1
99.04450	0.8
105.01487	0.4
105.07025	1.8
107.08583	2.8
109.02890	1.5
109.06519	1.1
109.10155	6.0
111.00802	0.4
111.04448	0.6
111.08092	1.2
111.11726	1.4
117.07013	0.7
118.29077	0.5
119.04965	0.8
119.08599	1.9
119.09388	0.4
120.79907	0.5
121.10129	3.2
123.04439	2.4
123.07984	0.5
123.11711	2.5
125.05959	0.4
125.09634	0.6
127.03918	100.0
128.04245	0.6
131.08543	0.7
133.10168	1.2
135.11696	3.2
137.05962	2.3
137.13266	1.8
139.03906	23.0
141.05460	1.4
145.10117	0.9
147.04402	0.5
147.11687	1.6
149.13271	2.9
151.07542	0.5
151.14841	0.7
153.01828	22.9
153.05437	0.7
155.03404	2.7
157.10188	0.5
159.11653	0.6
161.13263	1.2
163.03925	1.8
163.14885	1.6
165.05455	4.3
167.14369	0.8
179.14319	0.8
181.04895	0.5
183.11743	0.5
191.06955	0.7
226.15076	0.4
233.22600	2.1
243.21030	0.9
251.23656	3.0
261.22165	3.5
279.23203	4.2
297.24289	2.9
315.25275	12.6
337.82260	0.5
387.25305	8.3
405.26358	20.3
405.31750	1.0
423.27414	1.5
423.36380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
55.05513	16.3
57.07074	1.3
59.04996	1.8
59.84747	1.2
67.05496	4.8
69.03429	3.4
69.07053	4.9
71.04982	3.1
71.48132	1.9
76.74635	1.3
79.05491	3.8
81.03432	1.3
81.07042	5.8
83.05006	7.0
83.08614	13.1
85.02906	7.6
85.06525	1.8
87.04460	1.3
91.05459	3.5
93.07047	11.0
95.04963	11.3
95.08602	4.5
95.91062	1.4
97.02888	1.9
97.06528	6.3
97.10139	2.2
98.97549	3.9
99.04463	2.9
105.05516	1.6
105.07039	6.3
107.04950	2.4
107.08596	20.2
107.11910	1.3
109.06512	6.3
109.10175	10.2
111.08047	3.6
113.05968	1.7
115.07563	5.2
119.08615	5.8
121.10151	41.8
123.08036	2.0
123.11733	3.3
125.09624	3.1
127.03902	3.2
131.08569	3.9
133.10143	12.4
135.08066	2.1
135.11699	1.8
143.08572	1.6
143.70303	1.2
145.04968	2.0
147.11694	3.3
149.09613	1.3
149.13255	4.3
150.56668	1.3
151.11177	18.1
153.09079	5.9
163.14844	10.5
163.69556	1.2
167.14325	20.0
173.13249	8.6
175.14877	2.5
191.14307	18.3
205.18660	1.2
209.15384	100.0
210.15837	1.3
214.08664	1.6
226.17949	2.3
227.12752	2.1
227.16385	10.0
262.10675	1.7
330.96344	1.2
425.18112	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.6
57.07075	8.0
57.23030	3.6
62.05645	3.2
64.79256	3.1
65.87929	3.0
67.05502	24.5
69.07072	32.4
71.14423	6.1
71.14785	3.9
79.05483	7.7
81.07053	50.4
83.04984	3.3
83.08612	10.8
91.05472	14.4
93.07029	23.6
95.04992	8.1
95.08607	79.7
97.06506	3.7
97.10182	10.8
105.06398	4.7
105.07045	45.4
107.08591	39.5
109.06516	4.9
109.10153	41.7
111.11720	6.8
119.08585	57.4
121.10155	43.7
123.08057	5.9
123.11710	61.1
127.11224	3.0
131.08525	9.5
133.10124	42.2
135.08107	7.1
135.11708	21.0
137.09630	7.6
137.13263	50.0
145.10106	16.3
147.11697	46.9
149.13216	15.6
157.10114	4.3
159.11722	15.1
161.13258	24.3
163.14833	6.6
173.13261	9.1
175.14842	9.4
177.16454	3.5
179.32466	3.7
185.13235	4.9
189.16418	15.0
191.17963	13.7
201.75266	3.1
203.17961	79.4
207.17421	9.7
215.17952	18.3
217.19472	5.0
221.19014	3.8
233.19017	78.0
275.23645	6.1
339.26846	6.0
354.77786	3.5
405.35382	5.2
423.36395	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05507	1.8
56.96562	1.3
57.07083	1.1
61.02928	0.7
67.05503	2.1
69.03420	1.7
69.07062	1.7
71.05006	0.8
79.05479	2.2
81.03419	0.9
81.07052	4.5
83.04957	0.8
83.08640	1.3
85.02900	2.4
91.05483	2.3
93.07069	4.3
95.04961	1.3
95.08603	2.7
97.02882	1.6
97.06554	1.3
98.97596	1.3
102.76388	0.6
105.03394	2.0
105.07030	2.7
107.04951	2.4
107.08591	2.7
109.02886	0.8
109.10152	3.5
117.07033	0.9
119.04920	1.1
119.08578	1.8
121.06520	0.7
121.10140	1.5
123.04436	1.8
123.11722	0.6
125.09602	0.8
127.03929	1.3
129.06941	0.9
131.04932	2.4
131.08534	0.8
133.10165	1.2
135.04469	1.0
135.08044	0.8
135.11700	1.5
137.06018	1.2
139.03915	1.1
143.02583	1.1
145.10172	1.1
147.04407	2.7
147.11679	1.3
151.03918	0.7
157.10153	0.8
159.11737	1.0
161.06104	0.8
163.03911	1.8
169.10146	0.7
175.03900	1.3
175.14772	0.9
184.67662	0.8
201.03780	5.3
203.05295	20.1
203.06987	0.8
215.10808	0.8
225.10513	1.0
226.10829	2.2
229.08633	1.0
244.11783	0.7
245.18864	0.6
261.18420	1.7
271.06097	2.6
271.13519	0.7
329.06750	1.0
345.86029	0.8
386.01236	0.6
387.25327	0.7
423.23569	100.0
424.23767	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01875	3.2
55.05517	15.3
57.03434	3.1
59.04993	2.4
60.71512	1.9
61.34548	1.7
65.03934	2.3
65.53514	1.8
67.05508	100.0
69.03423	4.9
69.07073	33.1
71.04982	5.7
73.22626	2.0
79.05499	21.5
81.03420	3.4
81.07059	51.5
83.04995	3.4
83.08627	10.4
85.02908	4.2
85.06551	3.6
91.05489	23.9
93.07047	35.7
95.04943	3.1
95.08607	20.8
97.06496	5.6
97.10159	2.9
98.97565	2.6
105.07020	8.4
107.04979	2.7
107.08592	19.5
109.10167	48.0
111.08080	4.5
111.11737	5.3
116.07859	1.8
116.28423	2.0
117.07037	6.1
119.08598	8.6
121.06497	2.4
121.10165	10.6
123.11729	3.6
129.12762	5.8
131.08563	7.3
133.10144	9.9
135.08002	2.8
135.11699	7.8
137.09610	4.5
143.08603	3.2
145.10110	3.9
147.07996	2.2
147.11713	4.9
149.01321	2.2
149.02350	9.7
149.13245	12.8
153.09097	5.0
154.58211	1.9
155.10683	3.7
159.11693	7.4
161.13225	3.4
171.10187	4.0
173.11749	12.6
173.13129	3.9
177.12747	3.4
195.13811	8.3
261.22125	3.4
358.16568	4.7
369.24033	2.4
377.63748	6.2
387.25323	4.3
405.26096	3.3
423.27362	62.7
423.32932	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2357
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.03952	0.9
55.05507	1.8
56.96562	1.3
57.07083	1.1
61.02928	0.7
67.05503	2.1
69.03420	1.7
69.07062	1.7
71.05006	0.8
79.05479	2.2
81.03419	0.9
81.07052	4.5
83.04957	0.8
83.08640	1.3
85.02900	2.4
91.05483	2.3
93.07069	4.3
95.04961	1.3
95.08603	2.7
97.02882	1.6
97.06554	1.3
98.97596	1.3
102.76388	0.6
105.03394	2.0
105.07030	2.7
107.04951	2.4
107.08591	2.7
109.02886	0.8
109.10152	3.5
117.07033	0.9
119.04920	1.1
119.08578	1.8
121.06520	0.7
121.10140	1.5
123.04436	1.8
123.11722	0.6
125.09602	0.8
127.03929	1.3
129.06941	0.9
131.04932	2.4
131.08534	0.8
133.10165	1.2
135.04469	1.0
135.08044	0.8
135.11700	1.5
137.06018	1.2
139.03915	1.1
143.02583	1.1
145.10172	1.1
147.04407	2.7
147.11679	1.3
151.03918	0.7
157.10153	0.8
159.11737	1.0
161.06104	0.8
163.03911	1.8
169.10146	0.7
175.03900	1.3
175.14772	0.9
184.67662	0.8
201.03780	5.3
203.05295	20.1
203.06987	0.8
215.10808	0.8
225.10513	1.0
226.10829	2.2
229.08633	1.0
244.11783	0.7
245.18864	0.6
261.18420	1.7
271.06097	2.6
271.13519	0.7
329.06750	1.0
345.86029	0.8
386.01236	0.6
387.25327	0.7
423.23569	100.0
424.23767	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2353
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
51.90421	0.3
55.05492	0.4
56.96558	0.7
58.70345	0.3
62.71292	0.4
67.05500	1.3
69.07074	0.8
71.80648	0.3
79.05482	1.4
81.03437	0.7
81.07061	1.9
85.02917	0.6
85.06503	0.4
91.05471	1.4
93.07053	1.8
95.04958	0.6
95.08598	0.8
97.06533	0.6
98.97600	0.5
105.03387	0.6
105.07016	0.9
107.04949	3.3
107.08575	1.4
109.10141	1.0
111.04449	0.4
113.01596	0.4
119.04903	0.5
119.08572	0.8
121.10152	0.8
123.04419	0.9
123.11691	0.6
126.86956	0.4
127.03949	0.5
128.05486	0.4
131.04922	0.7
133.06509	0.5
133.10104	0.5
135.04376	0.7
137.09608	0.4
140.09380	0.3
145.10104	0.6
147.04408	1.3
151.03969	0.3
153.01848	0.6
163.03851	0.5
171.11504	0.4
175.03944	0.8
201.03714	5.7
203.05284	6.6
203.07112	0.7
213.16354	0.4
243.17442	0.4
245.18832	1.0
247.39409	0.4
271.06033	0.5
285.10468	0.4
287.05420	0.6
423.23538	100.0
424.23901	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	423.2356
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.01879	0.6
55.05513	1.4
56.96565	2.5
57.03429	1.2
61.02911	1.3
66.11043	0.4
67.05493	2.3
69.03425	1.2
69.07075	1.4
70.22769	1.0
70.23155	1.9
70.87025	0.5
73.02908	0.6
75.62638	0.5
79.05488	2.1
81.03415	1.7
81.07052	2.3
83.08618	0.9
85.02908	2.0
85.06540	0.6
91.03964	0.5
91.05486	2.5
93.07045	2.3
95.04951	0.5
95.08604	1.9
97.02904	1.3
97.06527	1.1
98.97572	1.2
99.04417	0.5
105.03392	0.6
105.07034	2.1
107.08612	1.1
109.06499	0.7
109.10174	1.2
119.08572	1.1
121.10168	1.0
123.04414	0.6
123.11694	0.8
127.03905	1.3
130.18369	0.5
131.04926	0.7
131.97789	0.5
135.11760	1.0
139.03912	0.8
147.04404	1.4
149.78732	0.5
157.10065	0.6
161.05913	0.9
163.03920	1.4
168.96211	0.5
175.03958	1.8
181.12273	0.8
183.06529	0.6
185.04668	0.5
193.12256	0.8
201.03712	7.1
203.05280	7.6
217.07602	0.6
231.10135	0.6
243.08948	1.1
243.17213	1.3
245.18813	2.9
255.09045	3.1
255.15952	0.7
256.16327	0.6
267.09058	3.8
271.06042	0.8
273.10196	1.1
285.10184	4.2
286.10565	0.5
301.06952	0.6
301.62466	0.5
304.09836	0.9
309.11063	1.7
324.11536	6.0
324.61743	1.3
342.15356	1.0
423.23538	100.0
424.23853	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72499	0.2
55.05486	0.3
56.96556	1.1
57.03424	0.3
59.09443	0.3
61.02926	0.3
67.05494	0.2
69.03411	0.7
69.35422	0.3
69.56319	1.6
72.08105	0.3
73.02910	0.2
77.80965	0.3
81.03407	0.6
81.07043	0.3
83.04949	0.3
84.04546	0.3
84.96016	0.3
85.02904	1.7
90.33249	0.3
93.07053	0.3
95.04933	0.3
97.02868	0.7
98.21483	0.6
98.97569	4.3
107.04974	1.8
109.02868	0.3
110.97598	0.8
116.98611	1.1
119.04888	0.4
121.02844	0.3
123.04399	0.6
127.03932	0.6
128.98592	0.8
130.06496	0.4
137.05928	0.3
137.09703	0.3
143.00191	0.4
145.04893	0.4
146.99518	0.3
153.01825	0.9
154.84032	0.3
158.97433	0.3
158.99632	1.3
163.03935	0.3
170.99741	0.3
177.00749	1.3
197.04814	0.3
207.10231	0.5
208.10434	0.6
215.05920	0.6
219.01819	0.9
223.02646	0.3
237.02827	1.9
240.03294	0.6
244.05910	0.4
245.04361	0.4
261.13101	11.2
281.05310	0.3
282.43304	0.3
317.09030	1.0
333.08585	0.4
335.10126	2.5
405.13147	0.4
423.18372	100.0
424.18805	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01871	5.4
55.05506	9.7
57.03437	4.0
58.05710	2.1
67.05502	6.1
68.19387	2.4
69.03450	13.2
69.07072	5.9
69.51881	13.0
69.52289	4.4
73.02902	8.1
74.06085	38.4
79.05498	5.4
81.03416	6.8
81.07072	18.7
83.04980	15.8
84.04510	3.1
85.02903	16.7
85.06547	4.4
89.29825	2.1
91.05475	17.7
93.07068	11.4
95.04984	6.2
95.08608	20.2
97.02872	7.9
97.06527	9.3
98.06071	5.2
98.20701	2.4
98.97599	2.8
99.04436	3.7
102.05537	3.8
105.07033	16.0
107.08608	19.7
109.02863	10.0
109.06516	21.6
109.10176	5.8
111.08075	5.4
116.07104	14.1
119.08582	11.4
120.06586	18.4
121.06490	3.2
121.10137	14.8
123.08073	26.3
123.11681	3.0
123.75283	2.3
124.03922	3.2
127.03916	4.2
127.07513	3.7
131.08569	5.0
133.06482	7.9
133.10167	6.4
135.08081	3.7
135.11708	28.2
137.09628	4.0
137.13254	2.9
139.07585	2.6
144.06580	18.8
145.05031	2.7
145.10162	2.7
147.08084	7.5
147.11687	10.5
149.09602	13.8
151.07545	29.7
161.13269	16.4
162.07587	10.7
163.07486	3.2
163.11156	4.1
165.12813	3.3
167.10698	12.6
169.08607	9.9
172.07870	2.5
176.08356	5.6
177.12767	9.2
178.09906	23.9
179.14265	5.0
181.08603	10.1
189.12764	9.3
195.13789	7.7
207.10193	8.0
207.13802	100.0
209.11736	51.7
225.11449	3.3
225.14874	77.7
243.15953	2.7
260.09366	3.6
270.09680	3.5
288.10718	5.8
306.11823	8.2
422.14001	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	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.2
55.01874	4.2
55.05514	8.8
56.96568	3.2
57.03455	2.6
57.07080	5.8
61.02934	8.4
67.05506	10.5
69.03434	18.4
69.07068	10.1
70.08992	9.6
71.04998	2.9
73.02910	4.6
75.04490	3.5
79.05493	14.5
81.03413	9.6
81.07063	30.3
83.08614	4.6
85.02908	50.2
85.03379	4.3
85.06561	2.6
87.04474	2.9
91.03988	4.5
91.05482	19.2
93.07049	58.0
93.46677	2.2
95.04977	41.7
95.08063	2.7
95.08620	25.9
97.02882	17.6
97.06535	6.5
98.97588	8.2
99.04446	3.8
105.07046	15.0
107.04971	8.8
107.08604	26.2
109.02888	10.3
109.06516	15.6
109.10164	49.4
111.08138	3.0
119.04967	3.4
119.08586	11.5
121.06495	3.4
121.10148	48.0
123.08103	3.7
123.11722	59.4
123.12596	4.5
125.06001	5.0
125.24636	2.2
127.03931	19.2
128.98643	2.1
131.04939	4.8
131.08543	2.6
133.10117	14.6
135.08023	4.7
135.11719	7.3
137.06004	8.9
137.09636	2.5
143.08682	2.5
145.04987	17.2
145.10103	3.7
146.06041	3.1
147.04413	17.7
147.11723	9.8
149.09654	9.1
149.13310	5.0
151.07584	7.7
151.11192	25.2
153.12753	100.0
155.07051	3.2
161.13234	3.7
163.06065	5.9
163.07483	2.3
163.11249	3.8
165.12759	73.5
167.10687	12.7
174.05547	4.7
179.14264	2.3
189.12778	5.2
190.83948	2.4
207.13846	35.5
225.14870	76.8
271.06030	2.4
293.13849	2.6
311.14938	16.3
345.09390	2.0
348.21930	2.6
411.16479	2.5
422.15231	6.6
422.25449	6.7
423.15906	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	27.2
57.07075	4.4
58.93314	1.8
68.77848	1.8
71.00726	4.7
81.07062	1.9
89.06081	2.4
113.62557	2.1
127.11198	100.0
149.02353	8.1
294.05603	2.3
422.35223	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	421.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01862	3.4
55.05272	0.9
55.05517	12.8
56.96545	2.5
57.03200	0.8
57.03440	6.4
58.47807	0.8
59.04977	1.2
61.02906	3.5
64.08315	1.0
65.03932	1.2
67.05507	31.0
69.03436	7.8
69.07076	8.2
70.24816	0.8
71.04987	2.8
73.02913	2.1
79.05492	19.3
81.03413	9.6
81.07054	20.9
83.04996	4.6
83.08615	7.2
85.02901	5.8
85.06560	1.5
87.04513	0.9
91.03953	1.7
91.05483	22.4
93.07047	19.5
95.04972	28.3
95.08611	14.0
97.02879	2.7
97.06535	11.9
97.10184	6.0
97.10676	1.0
98.20728	1.9
98.97604	2.1
99.08084	1.1
103.05421	1.2
105.03396	1.5
105.04520	1.0
105.06391	1.4
105.07034	16.8
107.04960	11.8
107.08596	10.2
109.02893	1.9
109.06499	3.6
109.10140	12.0
111.04430	1.0
111.08076	1.3
112.26659	0.9
113.96597	0.8
115.05477	1.8
117.07021	9.5
119.04919	1.6
119.08584	10.7
121.06487	10.1
121.10155	6.9
123.04428	1.6
123.08031	3.0
123.11705	1.6
125.09638	4.0
127.03927	2.5
128.06236	1.0
129.07014	7.3
131.04918	1.9
131.08562	9.1
133.06485	3.8
133.10132	6.0
135.04396	2.1
135.08026	4.1
135.11684	3.5
137.05988	1.6
137.09601	3.5
139.03835	1.1
139.11171	1.0
141.06927	2.0
142.07762	1.3
143.08542	6.6
145.02853	1.6
145.06503	1.9
145.10124	7.3
147.04410	1.8
147.08040	4.6
147.11674	3.0
149.05882	1.0
149.09633	3.9
149.13190	1.5
151.07582	1.1
151.11095	1.0
154.07680	1.1
155.08574	1.6
157.06479	1.8
157.10150	5.8
159.04433	1.5
159.08040	2.2
159.11681	5.6
161.02359	2.2
161.09657	5.0
163.03938	6.4
163.05171	1.3
163.11176	3.9
167.08557	1.7
169.10168	2.8
171.08026	1.1
171.11676	3.2
173.02354	2.9
173.09650	1.7
173.11771	2.2
173.13210	1.9
175.11183	4.0
177.12766	2.3
181.10114	1.3
183.11696	1.9
185.09624	3.0
185.13310	1.2
187.11270	1.2
189.09099	3.5
189.11160	3.6
189.12692	1.1
189.16309	1.0
193.12219	4.4
195.11702	1.0
199.11205	2.4
203.05342	2.3
203.10664	4.8
203.12650	2.1
205.12274	2.4
207.02853	1.3
213.12759	1.1
215.06985	6.3
217.04901	1.0
223.13208	2.1
229.07364	1.4
231.13748	1.2
233.15387	1.1
245.15402	1.2
249.14891	4.1
251.11273	1.1
259.09726	16.4
259.12720	2.2
269.12396	3.1
283.20584	1.0
301.21619	3.2
311.20068	7.7
329.21106	40.4
331.65164	1.3
340.15421	7.9
341.20602	1.0
347.22223	6.4
357.86057	1.0
367.22571	1.9
385.23718	3.2
403.24792	31.3
421.21863	100.0
421.26147	26.1
421.68179	2.6
422.22064	2.3
443.20972	1.0
448.28406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15788	0.7
53.03931	2.5
55.01863	1.9
55.05515	7.5
56.96548	2.4
57.03444	4.4
60.10478	0.7
61.02907	3.1
62.38299	0.9
67.05509	17.7
69.03432	5.2
69.07079	4.6
69.81767	3.4
71.04953	2.0
73.02888	2.2
79.05499	10.7
81.03419	5.6
81.07056	12.0
83.04965	2.6
83.08640	3.8
85.02883	4.4
85.06513	1.0
86.38982	0.7
91.03934	1.4
91.05479	12.6
93.07044	9.8
95.04977	15.0
95.08612	6.7
97.02879	2.9
97.06551	6.8
97.10180	3.7
98.20806	1.1
98.97554	2.0
99.04428	1.2
105.03368	1.5
105.07035	8.1
106.54261	0.8
107.04964	7.0
107.08611	6.3
109.02875	1.0
109.06499	2.1
109.10171	7.5
115.05484	0.9
117.07046	4.7
119.04890	2.1
119.08593	7.7
121.06485	5.7
121.10117	4.0
123.08040	2.0
125.09592	2.8
127.03922	1.9
128.06187	1.0
129.07007	4.7
131.04916	1.2
131.08589	5.2
133.06456	1.6
133.10097	3.4
135.08018	3.2
135.11649	0.9
137.05922	0.9
137.09576	2.4
139.11142	1.2
141.07025	1.2
142.07707	0.9
143.08521	3.1
145.06488	1.5
145.10110	3.7
147.04333	0.9
147.08003	2.2
147.11679	1.9
149.09613	1.9
155.08543	1.5
157.06454	1.0
157.10146	3.4
159.08012	1.0
159.11664	2.4
161.02315	1.3
161.09560	1.7
163.03853	3.4
163.11169	2.6
169.10120	2.1
171.11659	1.3
173.02443	1.0
173.09509	1.2
173.11691	2.8
173.13164	0.9
175.11130	3.2
177.00615	1.0
177.12758	1.2
185.09552	1.3
185.13237	1.1
187.11194	1.1
189.09102	1.8
189.11166	1.6
193.04958	0.7
193.12274	3.5
195.11688	0.9
199.11235	1.5
201.03673	4.1
201.12857	0.8
203.05322	4.2
203.10655	3.1
203.12560	1.0
205.12202	1.5
207.02959	1.5
208.11053	1.0
215.07019	2.1
223.13274	1.7
229.07324	1.5
249.14816	1.5
259.09598	7.8
259.12466	1.3
291.12579	1.2
301.21564	1.8
311.19986	3.5
329.21130	18.5
331.14792	0.8
340.12039	0.9
340.15378	8.0
340.65430	2.3
347.22195	3.5
353.15814	1.2
385.23392	1.6
403.24783	14.0
421.21759	100.0
421.25534	9.8
421.68060	1.5
422.22025	2.3
443.20828	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97051	0.5
53.03947	3.3
57.03449	2.5
57.07080	100.0
61.02936	1.7
66.36876	0.5
67.05518	1.6
69.03435	19.7
69.57162	3.6
71.04999	2.5
79.05498	1.0
81.03425	29.2
81.86565	0.5
83.01301	0.6
85.02911	32.0
85.06169	0.3
85.06547	21.3
95.04971	3.1
97.02900	22.0
99.04471	4.4
103.07592	17.8
103.08118	0.5
103.54367	0.5
108.04510	1.4
109.02888	19.2
113.05997	0.8
123.04442	1.8
127.03930	29.9
128.05011	0.7
141.05502	1.2
145.04962	12.9
145.06017	1.3
146.05983	7.4
174.05551	5.5
190.11989	0.6
211.09671	4.3
229.10732	40.1
247.11783	98.2
248.12120	0.8
300.08633	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08331	3.7
55.01875	5.2
55.79569	3.5
56.05034	5.6
56.96555	4.2
57.03434	6.6
57.18970	4.2
67.05504	3.9
69.03432	14.2
69.07083	7.2
69.82038	14.9
70.06579	5.9
72.08166	6.2
74.06084	100.0
75.90961	4.0
79.05486	7.4
80.92335	3.5
81.03424	11.9
81.07053	10.9
83.04972	6.1
85.02931	21.6
86.09743	4.1
87.04464	6.1
91.05482	12.5
93.07031	5.9
95.04983	5.6
95.08607	8.5
97.02903	8.7
97.06518	8.4
98.06046	11.8
98.97587	12.7
99.04442	5.4
102.05547	9.4
105.07037	11.4
107.04967	7.7
107.08587	10.7
109.02869	9.4
109.06522	7.9
116.04282	3.9
116.07108	49.2
119.08585	10.9
120.06605	37.6
121.02920	7.2
121.06438	4.7
121.10147	11.7
123.04499	5.6
123.08086	10.6
127.03890	10.1
131.08533	5.1
135.11674	8.7
137.09647	9.9
144.06567	73.9
145.05016	8.2
147.04434	6.8
149.09602	6.5
151.07547	10.4
161.13264	6.7
162.07637	30.6
165.09146	4.1
169.08649	5.9
178.09915	4.2
179.10690	4.1
183.13745	3.4
189.12788	6.2
195.13708	4.8
207.10204	4.6
207.13820	45.0
209.11736	13.6
211.39420	4.5
213.05136	3.7
225.11198	11.3
225.14900	39.8
232.08217	3.8
237.59978	3.6
241.09801	4.2
243.15910	4.4
260.09424	4.5
270.09753	11.6
276.08817	3.6
288.10797	20.7
301.11685	6.0
306.11899	19.8
323.12106	5.1
334.31326	3.5
404.13385	4.6
422.15045	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	421.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15788	0.7
53.03931	2.5
55.01863	1.9
55.05515	7.5
56.96548	2.4
57.03444	4.4
60.10478	0.7
61.02907	3.1
62.38299	0.9
67.05509	17.7
69.03432	5.2
69.07079	4.6
69.81767	3.4
71.04953	2.0
73.02888	2.2
79.05499	10.7
81.03419	5.6
81.07056	12.0
83.04965	2.6
83.08640	3.8
85.02883	4.4
85.06513	1.0
86.38982	0.7
91.03934	1.4
91.05479	12.6
93.07044	9.8
95.04977	15.0
95.08612	6.7
97.02879	2.9
97.06551	6.8
97.10180	3.7
98.20806	1.1
98.97554	2.0
99.04428	1.2
105.03368	1.5
105.07035	8.1
106.54261	0.8
107.04964	7.0
107.08611	6.3
109.02875	1.0
109.06499	2.1
109.10171	7.5
115.05484	0.9
117.07046	4.7
119.04890	2.1
119.08593	7.7
121.06485	5.7
121.10117	4.0
123.08040	2.0
125.09592	2.8
127.03922	1.9
128.06187	1.0
129.07007	4.7
131.04916	1.2
131.08589	5.2
133.06456	1.6
133.10097	3.4
135.08018	3.2
135.11649	0.9
137.05922	0.9
137.09576	2.4
139.11142	1.2
141.07025	1.2
142.07707	0.9
143.08521	3.1
145.06488	1.5
145.10110	3.7
147.04333	0.9
147.08003	2.2
147.11679	1.9
149.09613	1.9
155.08543	1.5
157.06454	1.0
157.10146	3.4
159.08012	1.0
159.11664	2.4
161.02315	1.3
161.09560	1.7
163.03853	3.4
163.11169	2.6
169.10120	2.1
171.11659	1.3
173.02443	1.0
173.09509	1.2
173.11691	2.8
173.13164	0.9
175.11130	3.2
177.00615	1.0
177.12758	1.2
185.09552	1.3
185.13237	1.1
187.11194	1.1
189.09102	1.8
189.11166	1.6
193.04958	0.7
193.12274	3.5
195.11688	0.9
199.11235	1.5
201.03673	4.1
201.12857	0.8
203.05322	4.2
203.10655	3.1
203.12560	1.0
205.12202	1.5
207.02959	1.5
208.11053	1.0
215.07019	2.1
223.13274	1.7
229.07324	1.5
249.14816	1.5
259.09598	7.8
259.12466	1.3
291.12579	1.2
301.21564	1.8
311.19986	3.5
329.21130	18.5
331.14792	0.8
340.12039	0.9
340.15378	8.0
340.65430	2.3
347.22195	3.5
353.15814	1.2
385.23392	1.6
403.24783	14.0
421.21759	100.0
421.25534	9.8
421.68060	1.5
422.22025	2.3
443.20828	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2587
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
55.05515	5.3
57.07063	1.2
58.09015	0.7
58.59384	0.6
67.01860	1.2
67.05511	9.1
69.03443	1.0
69.07075	6.3
70.59404	2.0
71.04996	0.8
79.05486	3.2
81.07057	8.1
83.08631	3.5
91.05475	1.7
93.07048	3.1
95.05008	0.9
95.08611	10.1
95.99340	0.6
97.06519	0.7
97.10178	2.5
98.20779	0.6
105.07035	1.4
107.08595	2.1
109.10166	3.5
109.88134	0.6
119.08562	1.5
121.10117	1.6
123.08064	0.6
123.11735	1.5
127.03917	7.8
133.10155	1.5
135.11685	0.7
137.05951	0.9
137.09563	0.6
139.03871	1.1
147.11694	1.1
151.03909	1.2
153.01840	48.5
161.13261	0.9
169.05019	0.7
170.24791	0.6
179.03407	2.0
192.04222	3.5
193.04915	0.9
195.22742	0.6
205.05005	5.5
217.19589	1.0
223.08293	0.6
235.20699	1.3
253.21796	0.8
317.17859	0.7
329.21161	1.0
336.78339	0.6
347.26212	0.6
385.23627	2.6
403.24823	100.0
404.25201	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1684
Annotation	Pomiferin
Peak:m/z	Relative Intensity
56.96563	0.7
57.07079	0.5
62.11675	0.5
67.05500	0.7
69.03416	1.4
69.07075	0.7
69.50677	2.9
73.02911	0.6
73.28407	0.5
79.05486	0.7
80.24351	0.4
81.07052	0.8
83.04968	0.6
84.96010	0.4
85.02896	2.7
91.05473	0.9
93.07029	0.9
95.04961	0.5
95.08591	0.5
97.02894	1.2
98.97589	1.9
107.04958	8.5
108.05281	3.8
109.02896	0.8
116.98638	0.7
121.02866	1.4
121.06509	1.5
123.04446	0.6
127.03952	0.6
135.05521	2.5
135.08119	0.4
137.05942	0.9
139.03922	0.8
142.61143	0.5
145.04901	0.7
147.04417	0.8
153.04089	0.4
153.06650	0.5
154.05016	0.8
163.03932	0.5
163.11169	0.5
167.07004	0.5
168.06624	0.6
169.71594	0.5
184.86087	0.5
219.01759	0.7
223.13226	0.6
228.06454	0.7
297.10959	0.5
319.09012	0.9
383.55658	0.5
383.81851	0.5
421.16788	100.0
422.17026	1.3
437.13455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1858
Annotation	Stilbostemin H 3'-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.79241	1.1
53.03943	3.0
55.01870	2.2
55.05506	3.8
56.96560	1.3
57.03418	2.7
65.03922	2.0
67.05508	13.0
69.03431	13.1
69.07061	1.7
69.49986	2.6
69.50390	6.4
71.04985	4.3
79.05492	7.4
81.03425	16.8
81.07058	10.5
83.04992	2.0
83.08652	1.8
85.02905	10.4
91.05479	8.5
93.06495	1.5
93.07051	28.1
95.04966	17.4
95.08600	10.5
97.02905	6.2
97.06483	2.5
97.10169	1.7
98.97594	2.6
99.04441	3.1
103.05451	1.6
105.07055	8.3
107.04979	11.7
107.08617	6.6
109.02884	8.7
109.06510	2.3
109.10157	16.0
111.04459	2.5
111.08053	2.0
117.07033	1.8
119.04948	1.8
119.08591	19.3
121.06512	3.1
121.10146	30.3
123.04433	100.0
123.08040	2.4
123.11696	1.7
123.91220	1.3
125.09644	6.2
127.03909	5.3
129.05487	2.3
129.06918	1.5
131.04919	3.6
131.08545	3.8
133.06439	1.2
133.10155	1.7
135.04442	6.9
135.08063	3.8
135.11678	1.4
137.02325	4.5
137.06000	7.6
137.09605	8.8
145.04933	2.1
145.06532	1.9
145.10201	1.3
146.06004	4.5
147.04407	11.5
147.06305	3.3
147.08086	1.9
149.05971	5.0
149.09637	9.3
157.06470	1.6
161.05984	22.6
163.03915	3.1
163.07544	41.9
167.10706	6.3
173.09584	1.4
174.05501	3.9
175.05986	2.3
175.07538	11.3
177.05508	2.9
177.09093	2.7
181.05006	1.5
183.06505	4.0
185.05927	2.2
186.92711	1.2
187.07545	3.3
189.09088	3.4
199.07486	2.6
201.09087	3.3
203.07039	23.7
203.10658	14.5
215.07071	2.0
231.06509	2.0
231.13817	9.8
234.21976	1.3
240.56206	1.3
241.12212	14.2
241.19421	1.5
259.09781	4.0
259.13303	44.6
265.10806	1.9
271.09705	1.9
289.06253	2.6
291.10269	2.3
301.09012	2.2
367.15353	2.2
385.16473	2.7
403.17535	12.5
421.13928	8.7
421.18808	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	421.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41566	0.5
65.62286	0.4
69.03442	0.4
70.06590	0.8
71.54753	0.7
76.94050	0.4
80.40944	0.4
81.03438	0.7
81.07076	0.7
82.70503	0.4
85.02909	0.6
91.05463	0.8
95.08614	0.7
97.02901	0.5
107.04955	1.1
107.08581	0.5
109.10135	0.7
112.59859	0.4
131.04980	0.5
137.05969	0.6
147.04404	0.5
153.05482	0.4
161.05978	0.5
181.04709	0.5
201.47368	0.4
223.13254	0.5
224.13480	0.4
265.27954	0.4
421.14737	100.0
422.15054	1.6
428.37247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41566	0.5
65.62286	0.4
69.03442	0.4
70.06590	0.8
71.54753	0.7
76.94050	0.4
80.40944	0.4
81.03438	0.7
81.07076	0.7
82.70503	0.4
85.02909	0.6
91.05463	0.8
95.08614	0.7
97.02901	0.5
107.04955	1.1
107.08581	0.5
109.10135	0.7
112.59859	0.4
131.04980	0.5
137.05969	0.6
147.04404	0.5
153.05482	0.4
161.05978	0.5
181.04709	0.5
201.47368	0.4
223.13254	0.5
224.13480	0.4
265.27954	0.4
421.14737	100.0
422.15054	1.6
428.37247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1473
Annotation	Abruquinone E
Peak:m/z	Relative Intensity
69.03426	0.5
69.07056	0.5
71.04990	0.6
71.29678	0.5
71.30008	0.6
79.05497	0.6
81.07046	0.5
91.05512	0.7
93.07034	1.0
97.06551	0.5
98.97564	1.0
105.07016	0.5
107.08593	0.6
119.08596	0.6
121.02904	0.5
121.10150	0.5
123.04416	0.4
125.06065	0.5
127.04036	0.4
137.05940	0.5
145.64972	0.4
147.04419	1.0
151.03937	1.8
163.03960	0.5
167.07097	1.0
177.01846	0.5
183.06526	0.7
191.14334	0.4
209.15500	0.6
225.07491	0.6
225.14771	0.4
288.05914	0.7
289.06067	2.0
295.65472	0.4
325.41019	0.5
421.14731	100.0
422.15079	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1472
Annotation	Melampodin A
Peak:m/z	Relative Intensity
55.05518	0.9
56.96550	0.5
57.07103	0.5
65.63921	0.5
67.05505	1.1
69.03419	0.6
69.38725	1.2
69.39133	2.7
71.04984	0.9
79.05495	1.8
81.03421	1.1
81.07060	1.1
83.08612	0.9
85.02898	1.2
91.05467	0.9
93.07056	1.1
95.04935	0.9
95.08595	1.2
97.02911	0.8
97.06551	0.8
98.97620	0.7
99.04514	0.6
105.07030	0.7
107.04966	3.2
107.08599	0.9
109.10146	0.5
114.35027	0.5
115.07568	0.5
119.08600	1.1
121.10226	0.6
123.04506	0.7
129.74557	0.4
133.10092	0.6
137.05946	0.7
145.10107	0.9
147.04413	1.9
154.08630	1.0
161.06024	0.6
176.08325	1.0
207.10159	0.6
227.08174	0.6
228.45538	0.6
255.07755	0.8
260.12802	2.6
273.08762	0.6
353.07645	0.7
361.10306	0.9
389.09399	0.7
403.11246	0.6
421.14703	100.0
422.15073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03954	0.9
55.01880	0.5
56.96577	0.4
57.03437	0.5
68.40051	0.4
69.03436	1.8
69.76175	2.2
70.06599	0.4
70.44634	0.4
70.68945	0.4
73.02894	0.5
79.05488	0.5
80.41226	0.4
81.03413	2.0
85.02910	2.7
91.05508	0.9
94.04187	0.8
97.02901	4.9
98.97603	0.6
99.04455	0.5
107.04959	1.0
109.02882	2.9
119.04929	0.9
119.08530	0.4
121.10130	0.5
122.03658	1.7
127.03927	3.6
131.04936	0.7
135.80640	0.4
137.05983	100.0
138.06296	0.6
145.04974	0.7
147.04361	0.7
151.07549	7.6
161.06041	0.8
163.07574	0.6
164.04723	1.2
175.07513	1.6
175.92352	0.4
179.07042	71.1
180.07375	0.9
185.06058	0.5
191.07014	1.1
193.08627	0.9
195.43739	0.4
197.08101	2.0
203.07091	1.2
204.81627	0.4
205.08640	0.4
209.08110	2.1
213.05569	0.5
217.08669	1.0
221.08127	1.3
223.13330	1.0
225.64381	0.5
235.09581	0.8
239.09138	1.3
245.08237	0.8
253.81235	0.4
259.09610	0.7
263.09128	1.8
277.10727	0.6
287.09009	1.2
305.10287	2.5
323.11258	11.8
341.12247	1.3
361.10657	0.6
389.09830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32829	1.2
55.01865	1.4
57.03442	19.5
59.05005	2.5
60.04527	1.5
60.81498	0.9
61.02917	2.6
63.57906	1.0
65.03946	1.3
69.03436	64.5
69.56612	7.0
73.02918	4.5
78.02476	0.9
79.05516	2.4
81.03404	1.7
85.02913	46.8
87.04475	46.2
89.02515	0.9
89.36839	1.0
91.05491	100.0
97.02905	67.0
99.04457	2.2
102.10780	0.9
105.07026	4.0
107.04958	8.4
109.02879	2.0
109.47054	1.1
114.11758	1.1
115.03940	82.8
117.05494	2.3
117.07029	1.7
121.06469	1.6
127.03893	7.7
129.07025	2.7
131.08592	1.3
133.04980	83.4
133.06392	4.7
137.97675	1.0
143.08435	0.9
145.04962	10.5
145.06497	3.1
150.07629	11.2
161.04425	3.4
163.06070	2.3
169.04982	1.4
175.07571	3.1
179.10730	1.4
205.08626	2.6
217.08620	2.5
223.06058	1.3
223.09653	10.2
227.12767	1.0
235.09668	1.5
241.07127	2.8
253.10789	3.0
259.08145	3.9
277.09158	2.9
295.10132	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01860	1.1
55.05503	2.6
56.96564	0.9
57.03434	4.6
67.05505	1.7
69.03085	1.0
69.03438	13.3
71.04991	1.5
71.40770	1.1
71.41098	1.2
75.04475	7.9
75.20216	0.8
79.05494	16.7
81.03429	13.3
81.07065	5.9
83.04978	1.5
85.02914	8.1
87.04460	1.1
88.88977	1.0
90.00415	0.9
91.05485	15.0
93.07053	92.4
95.04958	4.1
95.08601	3.4
97.02904	9.3
97.06521	1.7
99.04453	3.1
103.05496	1.2
105.04532	1.1
105.07043	6.6
107.08614	15.9
109.02907	6.0
109.06537	1.5
111.04453	1.7
111.08078	4.5
117.07006	1.2
119.08599	14.8
121.06470	2.1
121.10154	100.0
123.08070	1.1
123.11720	1.8
125.06042	1.4
127.03967	5.3
131.08583	7.1
135.11755	1.1
137.06102	1.5
139.11188	4.9
145.04938	3.2
147.04399	2.9
149.09639	24.9
161.05963	1.1
163.11137	1.6
167.07053	2.5
167.10692	28.8
168.07397	2.9
200.99651	0.9
250.11513	0.9
258.01785	1.1
265.73520	1.0
283.15390	1.6
288.05804	1.4
291.10098	1.6
293.13864	11.8
311.14893	21.1
329.15939	3.8
335.30048	1.0
420.16617	2.3
421.14493	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	419.243
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
55.05494	3.6
56.07767	0.7
57.07063	3.2
65.57400	0.8
67.05497	3.7
69.07055	3.9
70.03838	0.8
70.23516	2.1
71.08628	1.3
77.08886	0.9
79.05444	0.9
81.07045	3.1
83.08639	1.3
92.54337	0.9
93.07028	1.1
95.08592	3.0
97.10187	1.1
107.08567	1.7
109.10164	2.0
119.08614	1.4
121.10113	1.3
129.45247	0.9
139.03914	4.0
139.28748	0.8
153.01837	18.0
163.03918	1.6
174.83124	1.0
179.03371	5.3
191.03397	1.1
191.06931	1.1
192.04178	6.9
193.04930	1.6
205.04980	17.1
205.06798	0.7
219.06528	1.0
261.11179	2.0
275.12793	1.7
289.14291	1.6
289.50372	0.9
303.15909	2.5
317.17532	4.4
331.18994	2.4
373.23752	50.5
383.22266	1.8
401.23172	100.0
402.23422	2.1
419.24106	20.5
419.29395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2432
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
53.03942	0.4
55.05517	3.6
57.07076	3.0
67.05503	2.9
69.03457	0.3
69.07075	2.9
69.33807	2.7
71.08643	1.1
79.05511	1.3
81.07061	3.2
83.08634	1.3
91.05471	0.5
93.07040	1.4
95.08613	2.2
97.10178	0.6
98.20763	0.6
105.07039	0.6
107.04979	0.5
107.08607	0.9
109.10178	1.1
111.00774	0.3
119.08634	0.3
121.06541	0.4
121.10150	0.8
123.04484	1.0
123.11732	0.4
127.03954	0.6
131.08669	0.5
135.11694	0.4
137.06023	0.6
139.03912	4.1
145.10194	0.4
149.65164	0.3
151.03915	0.7
153.01839	20.7
153.05511	0.5
153.59978	0.3
163.03940	2.0
165.01909	0.8
173.06079	0.3
177.05486	0.8
179.03409	6.8
181.04916	0.4
191.03340	1.9
191.07101	0.7
192.04178	7.9
193.04959	3.0
205.04974	19.3
206.05821	0.9
217.08560	0.4
218.05714	0.4
219.06541	2.6
231.06503	0.6
233.08139	0.9
247.09674	1.2
261.11279	1.6
275.12735	2.0
289.14429	2.5
303.15973	3.3
317.17554	4.4
331.19119	2.2
331.22495	0.5
345.20343	0.5
359.22229	0.4
373.23758	56.3
374.24011	1.4
383.17801	0.3
383.22311	1.9
401.23242	100.0
402.23553	3.1
419.24277	18.2
419.39532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.264
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01876	15.0
69.07051	5.9
70.84612	15.6
71.04985	13.2
79.05495	22.0
81.07066	81.9
83.08615	5.4
91.05474	9.9
93.07050	31.8
95.08618	17.0
99.08081	5.0
105.07035	22.2
106.37178	5.2
107.04942	7.0
107.08592	47.2
109.10159	14.5
119.08578	32.1
123.11692	14.3
125.09692	6.7
127.11188	11.5
133.10132	27.6
135.11693	100.0
143.10693	30.0
147.11714	19.0
151.04312	4.8
161.13329	12.5
163.14836	7.6
167.07059	17.0
177.05537	10.1
181.04984	18.9
182.68002	4.3
191.07085	18.9
203.17999	54.1
209.08115	19.4
219.10199	5.3
221.19063	62.0
222.66010	4.4
239.20015	12.3
249.11237	19.7
352.19354	6.0
401.15863	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	419.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33658	2.8
53.03961	4.8
55.01870	3.5
55.05508	8.9
57.07081	3.7
65.03940	2.9
67.05511	8.3
69.03428	7.4
69.07076	15.0
69.69911	5.2
69.70316	11.7
71.04994	15.1
73.06520	2.5
79.05499	24.3
81.03435	3.1
81.07066	98.8
83.04961	4.2
83.08628	6.4
85.02919	20.2
91.05487	18.4
93.07049	39.1
95.04965	5.0
95.08617	27.0
97.02923	4.2
97.06528	2.9
97.10194	3.7
98.20757	5.2
98.97610	2.9
99.08101	3.9
105.07043	35.3
107.04977	3.0
107.08604	54.0
109.02905	3.0
109.06487	3.1
109.10162	34.2
111.08082	3.1
119.08595	54.1
121.10135	14.2
123.04371	3.1
123.08058	3.8
123.11728	21.0
125.09672	6.9
127.03937	5.1
127.11203	22.5
131.08548	3.1
133.10147	37.5
135.11699	100.0
137.13319	4.1
139.11090	3.1
143.10684	10.7
145.05048	3.9
145.06416	4.1
145.10141	8.2
147.04422	6.4
147.11708	23.9
149.07333	3.2
149.13274	7.4
153.12788	4.8
153.96651	2.7
161.13243	15.3
163.14920	3.2
167.07065	25.5
168.07407	13.2
169.07578	9.2
175.14757	3.3
181.04930	6.7
203.17986	47.0
221.19026	24.7
234.08531	3.2
249.11409	4.5
271.06119	8.0
389.14984	4.4
401.16052	6.6
401.95749	2.9
419.16101	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	419.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38126	1.1
50.93406	1.3
53.03942	3.3
55.01873	33.4
55.05514	3.6
56.96566	1.5
60.02178	1.3
65.03938	8.4
67.05500	5.6
69.03415	5.0
69.07068	3.6
71.05000	1.6
71.57066	1.8
77.03963	1.3
78.04711	3.2
78.11530	1.4
79.05489	11.5
81.03429	3.2
81.07050	7.2
82.04170	3.7
83.08615	2.1
85.02913	10.2
85.06497	1.8
91.05472	12.3
93.03417	5.4
93.07053	6.3
95.04960	7.1
95.08608	6.1
97.02905	1.7
97.06557	2.8
98.97596	4.9
101.00851	1.3
103.05477	19.6
105.03420	3.3
105.07023	13.6
106.04163	5.9
107.04958	14.2
107.08596	4.9
108.02117	1.6
108.05397	1.3
109.02895	2.1
109.10161	4.3
110.03639	3.2
111.04431	1.8
111.38493	1.3
115.05450	4.2
117.03338	1.7
117.07000	2.7
118.04192	2.9
119.04964	1.9
119.08561	3.8
121.02875	5.3
121.06540	11.9
121.10163	2.9
123.04426	12.5
123.11673	1.5
124.05238	2.4
125.05994	5.2
127.03884	1.8
128.06200	1.8
129.07036	4.1
130.04128	1.7
131.04933	18.9
131.08569	4.8
133.06500	11.8
133.10133	1.9
134.03613	1.9
135.04427	2.1
135.08032	2.3
135.11679	2.1
137.05956	2.9
138.03163	2.4
139.03918	2.0
142.02637	3.7
144.05724	5.5
145.06509	3.7
145.10069	1.5
147.04413	4.3
147.08069	1.5
147.11646	1.8
148.05199	11.9
149.05981	24.0
151.03931	2.8
152.04683	3.1
153.05515	4.2
153.09085	2.0
156.05666	1.5
157.06453	1.5
158.99590	1.5
159.04510	1.5
159.08046	6.2
161.05981	13.1
161.09540	1.5
163.03870	2.8
163.07535	14.4
167.07042	100.0
170.07242	2.2
171.06506	4.2
173.05997	3.2
175.07590	3.1
177.05463	44.5
181.04964	85.6
181.08591	5.9
182.05360	1.9
183.06544	5.1
187.07553	4.7
191.07028	78.2
192.07585	1.8
193.08569	9.2
203.07126	1.7
203.17873	2.8
205.08574	6.8
209.08090	85.0
215.07030	1.4
217.08554	2.8
219.08200	2.1
219.10173	7.0
221.07961	2.4
221.19006	2.7
235.09628	3.3
239.20090	4.7
247.09700	4.8
249.11276	14.7
257.21158	4.6
263.07016	1.7
265.10703	5.8
279.10355	1.9
323.12714	1.8
330.10779	2.9
339.12128	1.7
369.13330	4.2
371.14987	1.7
374.51547	1.4
383.14630	2.6
389.15802	2.2
401.15909	15.0
407.81519	1.4
419.12061	1.8
419.15247	6.2
419.21298	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.9
60.98306	0.6
66.62252	0.7
70.66344	1.9
79.90326	0.6
99.04432	3.4
111.04432	2.4
120.17811	0.5
125.06004	8.7
130.96019	0.6
135.84700	0.5
140.33037	0.6
141.05453	4.2
153.05475	100.0
154.05734	0.8
167.07076	0.9
255.46065	0.6
377.26678	0.6
419.35220	40.0
420.35590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01871	56.7
55.05500	4.7
56.96576	2.0
61.02926	2.0
65.03941	12.7
67.05511	8.7
69.03402	4.4
69.07063	2.8
70.61211	5.3
71.04980	4.3
74.77042	1.7
79.05487	15.3
81.03402	4.4
81.07058	20.6
82.04173	2.5
83.08630	2.0
85.02908	9.1
91.05484	13.4
93.03391	2.7
93.07043	13.8
95.04986	11.5
95.08632	9.0
97.02870	2.9
97.06528	5.3
99.08117	2.2
100.23105	1.8
103.05470	19.1
103.44478	1.8
105.03392	5.1
105.07033	23.4
106.04211	2.1
107.04953	30.8
107.08596	14.3
109.02844	2.2
109.10136	6.7
110.03616	2.6
111.04411	3.8
115.05444	6.6
116.06221	2.8
117.07024	3.6
118.04123	5.1
119.04932	3.2
119.08611	12.0
121.02881	2.0
121.06488	6.2
121.10143	4.2
122.03650	2.1
123.04424	15.5
123.11713	5.9
124.05210	5.6
125.05992	5.0
127.03923	2.5
127.11182	4.4
128.06226	4.3
129.07013	8.3
131.04942	20.2
131.08568	12.2
133.06502	14.7
133.10141	10.5
134.03552	2.2
135.11687	20.0
137.05945	2.7
138.03094	2.3
139.03911	7.0
140.04686	3.3
141.06964	5.0
142.02596	4.3
143.04926	2.3
143.10667	4.6
144.05708	9.5
145.06480	6.6
145.10069	2.6
147.04401	5.4
147.11682	4.8
148.05168	5.4
149.05997	14.3
149.13194	2.1
151.03893	7.6
152.04671	2.8
153.05444	7.4
155.07080	2.3
156.05574	2.4
157.06543	4.8
158.07257	2.0
159.04384	2.8
159.08066	16.0
160.05270	3.3
161.06000	17.8
161.09680	2.5
161.13206	3.1
163.03893	5.3
163.07573	11.8
167.07043	90.6
168.07379	2.1
169.07652	2.2
170.07285	3.4
171.06544	4.3
171.07893	1.9
172.05138	2.6
173.05983	6.5
175.07585	5.0
176.04677	2.4
177.05457	50.2
181.04956	98.4
181.08514	3.2
183.06538	18.1
187.07550	14.6
189.09062	4.4
191.07036	58.2
193.08594	11.7
203.07019	4.5
203.17950	12.6
204.07819	5.7
205.08582	13.4
207.10217	2.3
209.08095	100.0
215.06921	2.2
216.07889	2.8
217.08559	5.0
218.09323	1.9
219.08075	6.2
219.10164	12.9
221.08032	6.4
221.19051	8.4
231.10164	5.7
234.06595	2.1
235.09608	2.3
236.08157	2.4
247.07480	4.5
247.09674	10.0
248.08334	2.1
249.08763	4.3
249.11235	54.7
261.08908	1.9
264.07791	3.4
265.10806	10.3
277.08554	2.6
279.10104	5.8
291.10223	4.9
292.07391	2.5
293.07977	2.2
305.08038	2.6
307.09598	6.0
309.11230	1.9
315.08643	2.1
323.12744	3.3
330.10843	5.1
337.10568	5.3
351.11993	3.0
369.13342	17.7
371.14655	2.3
371.40347	2.0
383.15009	3.8
389.15771	6.7
401.16010	37.8
419.15958	19.7
419.20795	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	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54250	1.4
51.58140	1.5
52.40756	1.3
53.03942	4.1
55.01876	47.6
55.05521	2.5
61.41329	1.7
65.03935	9.2
67.05492	6.4
69.03422	4.0
69.07065	3.9
71.05011	4.4
71.05352	3.4
74.45625	1.7
74.46058	1.4
75.09962	1.9
79.05504	15.8
81.07057	17.3
82.01047	1.7
82.04196	3.5
83.08617	3.0
85.02909	9.0
85.06538	2.5
91.05489	13.1
93.03387	2.5
93.07039	8.9
95.04977	9.2
95.08603	7.5
97.02869	2.8
97.06537	4.2
98.97556	1.9
99.04456	1.6
99.08086	2.3
103.05463	24.5
105.03410	1.8
105.04510	1.8
105.07047	19.2
106.04147	1.9
107.04958	22.3
107.08588	7.7
108.02119	2.2
109.02855	2.0
109.06514	2.1
109.10174	4.9
110.03661	4.7
111.04444	3.1
115.05476	8.1
116.06245	2.5
117.07008	5.1
118.04171	4.8
119.04908	2.2
119.08570	6.1
121.06508	6.9
121.10133	2.6
122.91656	1.5
123.04407	16.1
123.11748	4.1
124.05205	5.1
125.05999	3.7
127.03922	3.9
128.06233	2.2
129.07001	7.8
130.04131	2.3
131.04918	19.3
131.08553	9.5
133.02885	3.2
133.06519	11.3
133.10083	8.0
135.11700	15.2
135.28221	1.9
137.05946	3.6
138.03177	1.9
139.03909	3.6
140.04686	1.7
141.07030	5.6
142.02620	3.9
143.08574	2.6
144.05725	7.9
145.06493	6.6
145.14992	1.6
146.03624	3.0
147.04501	2.0
147.08046	3.1
147.11723	3.6
148.05193	10.2
149.06000	13.6
151.07477	2.3
151.11211	2.8
153.05461	5.1
155.07092	3.3
155.10689	1.7
156.05670	3.1
157.06512	4.2
158.07272	3.0
159.04390	3.1
159.08093	17.3
161.06007	16.7
161.09674	2.1
161.13217	2.1
163.03815	2.2
163.07570	15.0
167.07037	87.1
168.04263	2.3
169.07631	2.6
170.07309	5.0
171.06580	6.0
172.05072	1.8
173.06003	4.2
174.06728	2.4
175.07518	3.5
177.05478	44.6
177.12814	2.6
181.04964	100.0
181.08563	3.4
183.06544	21.2
187.07538	18.0
189.05508	2.6
189.09099	3.3
191.07034	75.9
192.07666	1.9
193.08614	9.8
193.10110	2.0
202.07732	2.3
203.07040	4.3
203.17961	9.3
204.07875	6.1
205.06685	3.6
205.08618	12.3
209.08090	87.7
217.08650	7.4
218.07234	2.5
218.09322	3.0
219.08072	4.7
219.10170	18.1
220.08742	1.9
221.06154	2.7
221.08116	7.8
221.19005	10.5
231.08110	2.5
231.10159	5.0
233.06044	1.9
234.06683	3.2
235.07530	4.2
235.09579	3.5
236.08209	1.9
247.07480	5.7
247.09727	10.3
248.08324	2.8
249.11241	76.4
249.83687	1.8
261.09113	2.4
262.09921	2.2
263.07144	3.2
263.10745	2.7
264.07840	5.8
265.10941	8.2
269.07861	2.1
270.05563	1.9
276.08087	1.8
277.08572	2.0
279.10101	4.9
281.11761	1.9
287.05679	2.7
290.09644	2.4
291.07089	2.0
291.10217	3.9
293.08020	2.5
295.09567	4.2
307.09561	6.1
319.09528	2.2
323.12762	3.1
330.10980	5.0
339.12308	1.9
351.12222	4.0
355.11905	1.8
369.13321	21.2
371.15021	4.7
383.14880	4.1
389.15900	7.1
401.15997	37.0
419.11948	2.3
419.21002	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02387	0.3
53.03957	2.0
53.37590	0.2
55.01867	0.2
55.08367	0.2
56.96567	1.2
57.03422	0.3
59.07465	0.2
61.01145	0.3
61.02929	0.3
66.42101	0.2
68.52219	0.2
69.03446	1.1
69.33252	1.8
72.08150	0.7
73.02912	0.4
77.03930	0.5
78.82519	0.2
79.05500	6.1
81.03425	0.7
85.02907	3.0
86.09709	0.3
88.82183	0.2
91.75893	0.2
95.04977	1.8
97.02917	1.1
98.97593	6.4
102.96847	0.2
103.03938	0.5
105.03795	0.4
105.04544	0.8
107.04964	100.0
108.05290	0.8
109.02941	0.3
110.97588	1.8
114.96854	0.3
116.98623	1.6
121.06502	0.2
127.03929	0.8
128.98634	1.0
131.00317	0.2
140.98596	0.2
143.00137	0.4
145.04941	0.3
146.99608	0.4
151.00693	0.3
151.04265	0.7
158.99643	1.0
161.01187	0.3
163.03963	0.3
169.01743	0.9
170.99690	0.6
177.00804	0.5
185.01143	0.2
187.02802	0.8
189.00768	0.3
195.03326	0.3
201.00728	0.5
213.04370	0.5
219.01750	3.9
232.99744	0.2
237.02850	3.8
239.14095	0.3
257.08643	0.3
257.14932	0.3
313.05969	1.3
331.07095	2.1
359.02686	0.4
359.06528	2.0
377.03256	0.4
377.07620	4.5
419.15723	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64839	0.5
69.03446	1.0
69.69736	2.2
72.08150	0.5
83.69670	0.4
85.02916	0.8
87.04469	0.5
91.05464	1.1
95.88579	0.4
97.02879	0.5
100.90938	0.4
107.04942	0.7
127.03931	0.4
185.04236	1.0
190.09102	0.5
229.06931	0.6
317.08438	28.3
330.44830	0.5
419.15259	100.0
420.15485	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	419.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01890	2.2
65.03928	3.6
67.05508	7.0
69.03426	4.4
69.07085	2.6
71.04994	5.6
71.54855	2.4
78.04695	2.0
79.05500	9.5
81.03401	2.8
81.07070	5.2
85.02901	6.5
91.05482	8.2
93.03398	1.7
93.07042	3.9
95.04987	10.3
95.08592	4.1
97.02898	2.3
98.97601	2.3
105.07037	4.0
107.04963	24.0
107.08572	3.0
109.02884	2.4
109.06550	2.6
110.97572	2.0
111.04436	3.0
113.05998	4.0
115.05460	4.8
119.26549	1.8
121.06538	2.3
121.10143	5.0
122.03602	1.9
123.04435	15.9
124.05253	1.9
127.03919	4.6
128.06216	6.6
129.06981	10.1
131.04933	5.0
131.08585	14.6
133.06584	3.3
133.10133	1.9
135.11720	3.2
137.05978	3.1
139.03932	5.0
139.07536	4.2
141.06990	5.9
142.07768	2.1
144.05745	7.4
145.06497	4.6
147.04413	4.0
151.03943	3.9
153.05708	3.4
153.07036	3.0
156.05702	3.0
157.06488	5.5
159.06781	2.9
159.08080	20.4
161.05965	4.8
161.09677	3.2
167.07076	46.7
168.04150	2.2
169.04895	2.0
169.07668	3.8
170.07271	10.0
171.06560	2.6
171.07997	3.1
173.06026	4.5
174.06766	3.0
175.07574	5.6
177.05624	2.7
181.04976	5.4
181.08678	2.4
183.06555	27.7
187.07561	19.5
189.09137	6.4
191.07111	2.3
193.03265	2.0
193.08571	3.7
198.06750	4.5
199.07576	2.3
203.07059	7.2
204.07820	7.9
205.06517	2.4
205.08534	4.4
206.28532	2.2
216.07793	4.7
217.06808	2.0
217.08524	11.4
218.09415	6.2
219.01811	2.6
219.08250	2.6
219.10191	20.8
221.08073	6.0
221.11713	2.9
231.08168	2.9
231.10220	14.8
235.07494	3.6
237.02829	2.5
239.12744	2.5
247.07541	3.7
247.09798	4.0
248.08200	2.5
249.11255	100.0
251.07040	2.6
252.09430	5.7
252.59482	3.2
257.13074	3.2
261.09259	2.9
263.07068	2.7
263.10779	2.3
276.07938	2.5
277.08600	6.0
279.10028	2.5
291.10114	2.7
292.07245	2.2
293.08206	2.0
295.09814	4.3
305.08109	3.7
307.09650	3.9
309.08209	8.6
313.11710	4.8
337.10556	4.6
339.12161	2.8
351.12524	2.6
359.12494	6.0
369.13373	18.6
387.11676	4.2
389.15961	5.6
401.16025	60.6
419.13391	15.1
419.18756	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.9
56.96568	9.4
58.98375	4.8
61.02907	9.4
67.05494	23.2
68.61504	5.8
69.03435	11.5
69.07077	40.5
71.04978	12.9
71.54716	6.0
79.05484	12.2
81.03423	7.3
81.07059	100.0
83.04964	7.7
83.08600	9.3
85.02876	27.6
87.47808	5.1
91.05476	19.3
93.07064	27.1
95.04962	9.3
95.08615	67.1
97.02880	12.6
97.06573	7.5
98.97600	6.9
105.07042	38.9
107.08604	33.1
109.10175	37.8
109.34140	4.7
119.08572	53.2
121.09350	5.7
121.10123	28.9
123.11685	25.7
127.03939	8.1
127.11202	15.3
133.10190	26.2
135.11742	26.6
145.04956	16.1
147.11716	35.1
151.14838	14.3
161.13213	10.1
167.07016	9.1
203.17981	52.4
221.19044	62.0
224.05629	5.7
418.15665	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	418.259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	14.7
66.65268	11.8
68.46439	11.6
70.50900	30.8
70.51240	16.1
79.05520	13.7
81.07053	14.4
91.05514	19.9
95.08607	16.2
101.05923	12.3
139.07521	31.8
151.07568	100.0
165.09012	20.7
167.07083	26.4
217.12279	36.8
235.13222	60.0
278.63916	30.1
353.90955	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	418.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
53.44259	0.8
55.05508	7.4
56.96566	1.0
57.03431	1.2
57.07072	3.3
57.73999	0.9
59.05007	1.1
61.02919	1.2
67.05506	9.4
69.03419	2.9
69.07074	15.5
69.49394	6.9
71.04992	19.2
73.06553	1.8
74.02750	0.9
79.05498	19.7
81.03420	3.1
81.07059	76.6
83.08620	4.4
85.02916	8.9
85.06547	4.8
91.05479	15.0
93.07048	42.9
95.04971	2.4
95.08607	27.3
97.02896	3.4
97.06544	6.5
97.10175	2.1
98.97595	1.7
99.08086	5.6
105.07034	62.1
107.04949	1.7
107.08595	45.1
108.08966	1.3
109.02897	1.6
109.06574	1.4
109.10158	40.1
111.08092	1.9
111.11698	1.5
113.09668	3.3
115.07584	1.0
117.07024	5.1
119.08586	100.0
121.10153	15.3
123.08102	1.4
123.11711	17.9
125.09605	2.5
127.11198	23.9
131.08554	2.4
133.09111	1.7
133.10135	44.8
135.11697	79.2
136.12010	1.3
137.09683	1.2
137.13252	3.5
145.04950	2.4
145.10136	3.3
147.11691	30.4
149.13263	8.7
151.11186	1.3
151.14819	1.5
153.12737	9.5
157.10001	1.0
159.11707	2.3
160.12454	1.1
161.13271	12.8
163.14862	4.0
165.12706	2.2
167.07047	3.8
168.07407	2.8
175.14867	4.0
177.16400	3.4
180.08838	1.4
181.04967	1.3
182.05359	1.1
203.17967	70.4
221.19022	49.2
222.19400	1.3
238.21616	1.7
239.20084	6.4
269.36926	1.0
273.39197	1.2
277.93616	1.0
379.09399	1.1
418.19577	2.4
419.19745	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
54.69264	3.0
55.01857	3.2
55.05503	14.3
56.96550	5.0
57.03443	6.6
57.07055	8.4
65.03906	3.5
67.05499	25.3
69.03416	13.9
69.07074	21.8
71.04979	12.9
71.54602	4.7
79.05483	20.0
81.03403	6.6
81.06589	6.1
81.07056	78.8
82.07375	3.8
83.08627	9.4
85.02913	27.0
85.06551	37.2
91.05519	16.6
91.05975	3.1
93.07047	48.6
95.04960	7.1
95.08609	84.4
97.02889	11.9
97.06528	12.8
97.10172	6.1
98.97570	5.0
99.08080	6.1
101.33351	2.9
103.03921	3.2
105.03357	11.8
105.07046	32.1
107.04936	12.5
107.08601	49.1
108.92194	2.9
109.02898	3.7
109.06499	8.3
109.10152	31.1
111.08025	3.9
115.03912	6.4
119.08590	53.5
121.06495	3.4
121.10154	100.0
122.10558	3.6
123.04375	4.7
123.11726	19.1
125.09603	11.3
127.03854	6.1
127.11185	11.9
133.10138	27.8
135.11694	33.3
137.05983	4.0
137.09578	6.8
137.13234	10.4
143.07065	20.0
143.08157	3.3
143.08533	3.6
145.04939	4.8
147.11694	27.6
149.09587	4.5
149.13220	6.2
151.14827	4.8
153.12749	4.4
155.06993	5.9
159.10112	5.1
161.13251	13.3
163.14830	33.0
165.09103	6.0
165.12759	5.6
167.06960	6.8
168.07387	3.9
169.15929	7.3
175.14810	9.6
177.16379	13.3
181.15892	49.4
187.84470	3.3
198.39088	3.2
203.17993	53.6
221.15329	8.5
221.19014	50.1
239.16344	9.8
239.20058	44.0
287.06854	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	418.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
56.96552	1.0
57.03432	1.1
69.03423	3.5
71.04967	0.9
71.56416	0.8
72.08142	0.9
81.03405	1.8
84.08115	0.7
85.02905	9.6
86.09737	0.7
87.04446	1.9
87.27921	0.6
89.06030	59.9
91.05495	0.8
97.02875	2.9
98.97580	1.3
99.34790	0.8
104.02680	0.6
106.71581	0.6
107.04952	2.3
107.07077	1.8
108.07971	0.6
108.62453	0.7
109.02879	1.4
113.86720	0.6
121.02837	0.9
127.03906	1.5
128.04283	0.7
133.08603	32.3
145.04942	1.3
147.04398	1.1
151.09669	2.5
151.71384	0.7
161.06003	0.7
170.68523	0.7
177.11237	5.4
195.12315	1.7
213.93108	0.7
219.01773	1.1
239.14886	100.0
240.15294	1.6
268.07965	0.7
303.10361	0.7
337.76508	0.7
418.17358	14.2
419.15186	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	418.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69420	1.1
53.03944	1.5
55.01871	1.5
55.05500	1.5
56.96556	1.5
58.13579	1.0
64.67509	1.1
65.03945	5.0
65.43471	1.0
66.04270	1.5
67.05504	5.2
68.41278	0.9
69.03442	1.3
69.07058	1.5
71.57298	1.5
75.44753	0.9
78.04712	3.1
79.05078	1.3
79.05486	6.1
80.05828	1.6
81.03399	2.8
81.07045	3.6
82.04216	1.3
85.02905	4.9
86.03238	1.2
91.05472	5.7
93.03384	1.6
93.07039	4.9
95.04984	2.3
95.08595	2.3
96.05293	1.2
97.02866	1.3
97.06514	1.6
103.05465	7.6
104.05786	5.7
105.03405	2.1
105.07034	6.0
106.04131	2.1
106.07349	1.4
107.04986	8.1
107.08609	3.0
108.05294	3.5
109.06528	1.5
109.10143	1.4
110.03647	2.1
115.05460	3.7
116.05734	2.5
117.07048	8.0
118.04165	1.9
118.07362	4.2
119.08559	2.2
121.10110	1.7
123.04431	11.9
123.08069	1.4
123.11677	1.2
124.04770	2.0
124.05190	1.8
125.06012	0.9
127.05479	1.2
130.04153	1.0
130.06544	1.4
131.04970	5.1
131.08621	2.0
132.05280	3.3
133.02846	1.1
133.06471	2.2
133.10124	4.7
134.06776	1.5
134.65233	1.0
135.11679	2.7
145.06477	7.5
146.06860	4.9
147.04419	2.7
147.11673	1.4
148.05145	3.9
149.05606	1.4
151.03842	1.2
152.04718	2.5
153.05405	1.3
155.06013	3.2
156.06404	2.7
161.06010	1.5
163.07570	6.4
163.11163	1.9
164.07904	4.1
167.07048	100.0
168.07384	71.3
168.09489	1.4
171.06526	2.0
173.05972	11.8
174.06331	11.9
181.04962	48.1
182.05302	28.5
187.07585	1.2
191.07045	15.6
192.07379	14.5
193.08640	1.6
193.12250	18.1
193.13908	1.7
203.17952	2.0
205.08632	3.2
206.08978	3.0
217.08694	1.6
221.15399	1.7
233.08121	5.2
234.08406	7.0
235.09644	2.0
236.09973	2.4
264.09601	1.7
295.11707	1.3
315.08707	2.2
330.10922	4.8
383.14511	1.3
388.14764	19.8
400.14740	1.9
418.15805	59.6
419.16214	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	51.3
57.07061	6.4
67.05505	33.3
68.66547	2.7
69.06724	4.8
69.07068	54.0
69.48663	2.7
70.53757	10.8
71.04954	2.8
71.08638	3.6
71.58551	2.7
79.05489	13.2
80.23884	3.0
81.07056	41.9
83.08147	5.7
83.08620	100.0
85.06522	3.3
85.42321	2.8
91.05473	9.6
93.07043	26.4
95.08605	38.8
97.06516	6.2
97.10180	17.7
105.07016	13.6
107.08615	18.8
109.10164	22.3
111.08085	39.4
111.11735	10.5
111.45550	2.9
119.08577	22.3
120.08892	6.1
121.06404	2.7
121.10150	27.1
123.08099	2.7
123.11689	8.2
125.09629	5.1
129.09114	75.7
131.08560	4.7
133.10127	12.5
135.11661	20.9
137.09641	4.8
137.13205	6.9
139.11179	6.3
144.03740	2.8
145.10150	3.9
147.11688	11.5
149.13324	7.0
151.14807	3.1
153.12715	4.2
161.13255	12.6
175.14790	5.2
179.14221	4.7
180.55392	3.3
213.54730	3.6
217.19490	23.5
235.20555	39.5
253.21603	24.5
276.86777	2.8
323.16449	3.1
345.27908	6.5
363.28891	25.2
381.29752	5.4
417.22028	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	418.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93634	0.4
69.50810	0.8
69.51216	1.9
73.06560	1.1
79.05489	1.0
85.02913	1.0
91.05492	0.6
93.07072	1.2
98.97594	0.8
103.05463	5.4
107.04957	3.9
113.03648	0.3
117.11973	0.3
120.08111	100.0
121.08430	1.2
129.02267	0.4
131.04941	2.4
136.06165	0.5
149.05997	1.8
166.08647	55.2
194.18262	0.4
237.96910	0.5
302.47092	0.4
352.81961	0.4
391.18802	0.5
418.11066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44300	2.9
53.03934	4.7
55.01854	3.5
55.05510	9.2
57.07074	4.7
60.26517	2.6
65.25655	3.1
67.05484	12.1
69.03422	11.0
69.07061	15.2
70.43929	3.0
70.44279	9.5
71.04999	34.4
73.06551	3.4
74.95979	2.7
79.05488	22.2
81.07057	40.9
83.08636	5.9
85.02900	10.2
85.06506	4.7
91.05485	18.8
92.21494	2.9
93.07046	29.4
95.04961	3.5
95.08617	33.5
97.06522	7.9
99.08089	13.4
105.06340	2.2
105.07030	58.0
107.04926	3.9
107.08595	32.7
109.02855	3.1
109.06505	8.1
109.10147	17.5
117.07014	3.9
119.08556	18.7
121.10150	18.3
123.04431	4.1
123.11752	8.6
125.09622	32.8
127.07587	3.0
127.11216	16.1
131.08548	12.9
133.10129	100.0
135.11679	5.7
139.11186	3.1
143.10674	44.5
145.10127	19.0
147.11707	16.3
149.13264	22.3
151.11145	14.6
151.14754	3.5
155.10611	5.3
159.11725	10.1
161.13240	6.3
163.11139	3.5
167.07033	39.7
167.14326	53.0
173.05946	6.1
173.95081	3.6
181.05009	24.4
192.53545	3.4
201.16351	17.1
215.89513	3.0
217.32870	2.9
219.17439	57.0
234.67857	2.9
237.18475	23.8
267.06555	12.7
293.07990	4.6
297.07468	7.3
361.53763	3.0
387.14392	6.4
401.22861	3.7
417.15463	18.5
417.20676	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01872	3.4
55.05504	5.1
57.03429	1.4
59.04979	1.1
61.02937	1.2
65.03934	3.1
67.05508	7.4
68.99792	1.4
69.03428	5.7
69.07071	3.3
70.06593	1.5
70.78074	2.9
71.04988	9.2
78.04706	1.6
79.05493	13.1
81.03417	4.2
81.07055	15.0
82.04225	1.4
83.04977	3.9
83.08619	1.1
85.02908	11.7
86.09726	1.6
87.48599	0.9
91.05475	9.2
93.03436	1.1
93.07043	10.3
95.04967	5.4
95.08610	7.1
97.02888	3.9
97.06531	3.7
98.20802	1.0
98.97588	1.6
99.04445	1.7
99.08068	1.4
101.06005	4.2
103.03915	1.2
103.05454	1.8
105.03400	3.4
105.06399	1.3
105.07037	14.3
106.04168	1.5
107.04963	22.1
107.08590	7.2
109.02878	2.4
109.06527	3.0
109.10159	4.8
110.02749	2.8
110.03637	2.2
111.00827	1.8
111.04452	5.4
111.08039	1.4
115.05464	2.7
115.07558	1.4
117.03374	1.8
117.07030	6.9
119.08567	11.4
121.02859	3.2
121.06486	1.5
121.10137	4.2
123.04439	8.1
123.08067	2.7
123.11701	2.9
124.05215	3.4
124.39643	0.9
125.06012	2.6
125.09644	2.5
127.03941	5.6
127.05473	1.2
127.11189	4.7
128.06172	1.2
129.05504	2.7
131.04910	1.4
131.08582	4.1
133.10117	19.6
134.02805	1.1
135.04404	1.5
135.11662	2.7
137.05959	4.3
137.09598	2.7
139.03912	4.1
141.07037	1.2
142.02602	1.2
143.08548	1.3
143.10728	1.8
145.02861	3.1
145.06480	7.1
145.10149	5.9
147.04445	1.7
147.06532	1.8
147.11703	3.9
149.02365	1.5
149.05994	1.8
149.09636	1.1
150.03096	1.2
151.03903	11.2
151.11238	5.0
152.04735	2.3
155.06067	2.6
155.10661	3.2
157.10147	1.4
159.08083	2.4
159.11717	4.4
161.07156	1.2
161.13287	1.8
163.03946	2.3
163.11124	1.6
165.01820	2.1
165.05504	1.2
165.09206	1.1
167.07040	100.0
168.07364	1.1
169.10141	1.0
171.06483	3.2
173.05992	15.3
173.13211	1.8
175.07568	1.5
175.11043	1.2
175.14717	1.1
176.03378	1.3
177.05443	6.5
177.12796	1.0
181.04965	57.3
181.06380	3.7
187.07587	2.4
189.09126	1.1
191.03348	1.8
191.07047	4.3
191.17828	1.6
193.04974	6.5
195.06483	2.2
201.05353	1.7
201.16385	4.8
203.07054	3.7
205.05002	2.0
205.08609	3.0
207.10176	1.7
215.07043	13.8
217.05037	2.4
219.02896	3.0
219.06505	3.6
219.17433	11.4
229.08614	1.9
231.06520	2.5
233.08104	7.5
235.06020	2.6
235.09816	2.3
237.07414	1.9
237.18524	6.6
243.06537	8.5
243.12375	1.8
249.07674	1.3
253.07007	1.9
255.08737	1.4
257.08093	5.4
261.07614	3.6
269.07993	1.7
271.09702	1.2
285.07385	4.3
287.10706	3.1
297.07446	2.0
299.09134	2.2
303.08563	1.2
309.07523	1.3
321.09799	2.3
322.98669	1.2
327.08716	2.1
329.73026	1.0
333.09705	2.9
339.08414	1.8
345.10056	1.3
371.14993	1.2
381.08890	1.4
381.13260	3.9
387.14468	11.0
399.14594	5.2
417.15958	32.4
417.27991	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	417.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18656	1.0
53.03926	3.1
55.01856	2.9
55.05517	5.1
56.49975	0.9
57.03423	2.6
59.04996	1.6
65.03921	3.8
67.05507	7.1
68.99775	1.1
69.03435	5.6
69.07047	3.0
71.04992	6.8
71.54594	1.3
71.54944	0.9
75.13473	1.1
77.03914	1.1
78.04687	2.6
79.05502	12.1
81.03396	2.9
81.06660	1.1
81.07059	12.7
82.04153	1.1
83.05001	5.3
85.02912	11.5
85.06534	1.2
86.09669	1.4
91.05470	7.2
93.07059	11.0
95.04997	5.7
95.08620	7.1
97.02867	4.1
97.06548	4.5
98.97570	1.5
99.08114	1.2
101.06035	2.3
103.05434	1.3
103.43083	0.9
105.03369	2.3
105.06402	1.2
105.07050	15.4
106.04140	2.3
107.04964	22.0
107.08606	6.4
109.02840	3.2
109.06499	4.2
109.10143	5.8
110.02760	2.3
110.03622	2.4
111.04488	5.8
111.05091	1.0
111.08072	2.5
113.06001	0.9
115.05437	2.7
117.07002	4.9
119.04967	1.4
119.08589	9.0
120.96893	1.0
121.02859	2.3
121.06474	2.0
121.10160	5.2
123.04436	7.6
123.08038	1.4
123.11703	3.1
124.05202	4.4
125.06055	1.8
125.09603	3.4
127.03924	6.9
127.05463	1.0
127.11198	3.5
129.05438	3.2
129.06958	1.2
131.08542	3.8
133.06494	1.3
133.09134	1.0
133.10143	18.7
134.03601	1.1
135.04414	1.4
135.08026	1.1
135.11626	2.8
137.02296	1.0
137.05951	3.2
137.09567	3.6
138.03070	1.1
139.03929	4.8
139.11212	1.3
141.07088	0.9
142.02573	1.2
143.10631	1.9
145.02838	2.9
145.06502	7.2
145.10162	7.5
147.04404	2.3
147.06502	1.5
147.08006	1.8
147.11710	4.6
148.41417	1.0
149.02414	1.4
149.05911	1.7
151.03902	9.8
151.11183	4.6
152.04680	3.2
153.01791	1.1
153.05437	2.6
153.09116	1.3
155.06030	3.0
155.10695	2.5
157.04929	1.7
159.08014	2.3
159.11662	4.0
161.05894	1.4
161.07068	1.7
161.09563	1.2
161.13232	1.6
163.03865	2.8
163.11163	1.3
165.01765	3.2
165.05473	1.5
165.09088	1.3
167.07054	100.0
168.07413	0.9
169.04938	2.8
169.06345	1.1
171.06439	2.2
173.06010	12.6
173.13269	2.8
175.03969	1.6
175.07558	1.0
175.11145	1.1
176.03273	0.9
177.01845	1.4
177.05508	4.6
179.10806	1.4
181.04984	58.0
181.06444	3.0
183.02907	0.9
187.03885	1.2
187.07501	3.7
189.05492	2.1
191.03314	2.3
191.07077	5.3
193.05000	6.1
195.06447	2.9
201.16408	4.5
203.06969	3.2
205.04924	2.6
205.08643	1.8
207.06519	1.3
207.10072	1.9
215.07028	14.8
216.07082	0.9
217.04958	2.6
217.08548	2.5
219.02820	3.8
219.06384	1.3
219.17474	12.6
227.06958	1.6
229.08549	1.8
231.06480	3.0
231.08611	1.1
233.08110	11.1
235.05978	3.7
235.09543	1.9
237.07567	1.1
237.18474	5.2
243.06459	8.1
245.08078	1.3
255.08691	1.3
257.08124	6.1
261.03873	1.1
261.07501	4.1
269.07953	3.7
279.08383	1.3
281.07904	1.0
285.07562	4.5
287.10471	2.1
297.07364	1.9
299.09103	1.9
303.08505	2.3
309.07584	1.3
321.09546	1.4
333.09534	2.7
339.08298	1.1
344.12347	1.0
345.09760	1.5
351.08362	1.2
371.14487	1.2
381.13135	3.6
381.22598	1.8
387.14429	11.6
399.14679	5.8
417.15753	33.9
417.28293	6.3
418.15884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62431	3.5
55.05509	7.7
55.35279	3.9
60.84191	3.3
61.75894	3.1
67.05504	14.9
69.07065	8.7
69.50112	13.0
69.50516	11.2
71.04995	35.5
79.05484	19.0
81.07069	35.3
81.79046	3.6
83.04992	4.4
83.08610	6.3
85.02895	4.8
85.06537	4.5
91.05477	16.9
93.07061	23.6
95.08620	35.4
97.06545	6.4
97.10184	4.6
99.08097	10.4
105.07040	46.6
107.04940	4.5
107.08623	23.0
108.18465	4.4
109.06530	4.1
109.10165	15.8
111.07999	3.7
119.04949	3.6
119.08588	18.0
121.10136	18.1
123.11697	9.2
125.09609	36.0
127.11195	7.6
131.08592	7.2
133.10139	100.0
143.10666	39.7
145.10124	16.8
147.04402	5.9
147.11679	11.9
149.13264	16.7
151.11140	6.3
153.05505	4.6
159.11723	9.8
161.13281	5.3
167.07031	57.1
167.14307	64.5
169.12218	4.1
173.06018	9.6
181.04933	21.7
182.29160	3.9
201.16438	11.3
203.04930	3.7
219.17451	57.3
233.08105	7.7
237.18578	13.6
255.06544	5.8
271.05951	5.1
387.14462	4.9
417.15659	9.3
417.20959	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1548
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03936	1.1
55.01860	0.7
55.05503	1.1
57.03401	0.6
61.02926	0.7
62.66079	0.5
65.03931	1.2
67.05492	1.9
69.03434	3.3
69.07053	1.2
70.85446	0.7
70.85796	1.0
71.05003	3.2
78.04713	2.9
79.05505	3.9
81.03397	1.1
81.07077	2.7
83.04991	0.5
85.02908	3.4
88.29684	0.4
91.05485	3.1
92.81059	0.5
93.07043	3.3
95.04954	1.5
95.08609	1.3
97.02885	1.1
97.06567	2.3
97.10162	0.4
98.97591	1.2
99.04496	0.6
103.05480	1.0
105.07028	1.9
106.04189	1.1
107.04295	0.6
107.04974	6.6
107.08591	2.0
109.02859	1.2
109.06506	2.0
109.10197	1.1
110.03671	0.6
111.04440	0.5
111.08048	0.5
115.05450	2.6
117.06321	0.6
117.07038	4.8
119.04982	0.6
119.08576	1.3
121.06487	0.7
121.10141	1.8
123.04424	7.1
123.11747	1.0
124.05252	2.6
127.03924	0.8
127.07561	0.8
127.10350	0.6
127.11190	3.3
130.04012	0.4
131.04897	1.0
131.08578	0.9
133.06479	0.9
133.10153	3.1
134.03682	0.6
135.11719	1.3
137.06026	0.8
137.09711	0.6
142.02621	0.7
143.04909	0.6
143.10670	0.9
144.05653	0.5
145.06506	7.3
145.10138	1.7
147.04420	3.6
147.08037	1.0
148.04762	2.0
149.02403	0.6
151.03908	1.7
151.11176	4.5
152.04768	2.5
153.01859	1.9
153.05441	0.9
155.06033	3.5
155.10687	1.7
157.06491	1.2
159.07976	1.1
159.11604	0.8
165.05550	0.5
167.07050	100.0
168.07358	0.6
169.01691	0.5
170.38251	0.5
171.06612	0.7
171.08073	1.5
173.05997	16.0
175.07472	0.6
181.04964	23.0
181.12279	0.7
191.07010	1.5
195.02974	0.7
197.09682	1.2
199.11259	1.9
201.05487	0.8
201.16498	1.0
205.08569	3.5
207.10191	0.5
219.01837	0.7
219.17422	1.0
227.14375	1.8
233.08096	7.0
235.09657	2.7
237.02861	0.8
237.18515	4.7
255.16156	0.7
371.11182	1.0
381.13614	0.6
387.14417	15.0
399.14490	0.8
417.15500	35.5
417.20419	1.8
418.15778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99457	0.5
53.03939	1.3
55.01874	0.7
55.05499	1.6
56.96552	1.8
65.03932	1.7
67.05495	2.3
69.03416	1.7
69.07053	1.7
71.04968	0.9
71.54855	0.6
71.55210	0.6
78.04711	1.2
79.05493	3.8
81.03402	2.2
81.07065	4.1
84.90089	0.5
84.96008	1.5
85.02918	3.3
87.53800	0.4
91.05504	2.4
93.03387	0.6
93.07054	3.3
95.04974	1.5
95.08592	2.6
97.02872	1.0
97.06514	1.7
97.10176	0.6
98.97591	1.4
103.05453	2.2
105.03389	1.5
105.07021	2.1
106.04158	1.3
107.04983	4.8
107.08630	2.5
109.02868	1.3
109.06511	1.9
109.10149	1.5
110.03674	1.0
111.04356	0.8
115.05450	2.2
117.07026	3.5
118.04151	0.6
119.04926	1.1
119.08556	2.3
121.02871	1.0
121.06490	0.6
121.10120	1.8
123.04426	4.2
123.08102	0.8
123.11720	1.3
124.05210	2.0
125.06008	1.1
125.09650	0.5
127.03911	0.9
127.05544	0.6
127.11180	0.6
131.04944	2.4
131.08559	0.7
133.06502	0.8
133.10127	2.1
135.08051	0.7
135.11656	1.4
137.05971	1.2
137.09596	0.7
139.03883	0.8
142.07739	1.9
143.04947	0.6
145.06503	4.3
145.10085	1.4
146.10397	0.8
147.04411	2.2
147.08051	0.8
148.05128	1.0
151.03880	0.8
151.11192	1.0
152.04680	1.5
153.01776	0.8
155.06023	1.9
157.10147	5.9
158.99663	0.7
159.07999	0.9
161.13329	0.7
163.07542	2.5
165.09077	1.0
166.53918	0.5
167.07045	66.0
168.07372	0.5
169.01790	0.6
171.06506	0.8
173.05992	9.1
173.13216	0.7
175.07455	0.7
179.00130	1.1
181.04964	27.2
187.02650	0.6
191.07031	8.1
193.08560	0.6
197.01253	3.9
201.16339	1.2
202.16673	0.7
203.05275	7.1
205.08572	1.9
215.02278	2.0
217.08614	0.8
219.01790	0.6
219.17465	0.7
220.17894	0.7
227.11162	0.7
233.08020	4.8
235.09613	2.2
237.18506	1.7
245.08003	0.6
255.23224	0.8
291.05457	1.1
301.11563	0.6
305.03323	2.2
323.04340	1.9
335.09482	0.6
337.10736	0.5
359.14670	3.7
387.14313	8.5
399.14490	1.1
417.19278	100.0
418.19327	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.48260	0.4
55.01862	1.2
65.03949	2.7
66.51186	0.4
67.05499	1.0
67.52067	0.4
69.03406	0.8
69.07064	0.7
69.20914	3.5
74.08857	0.4
78.04716	2.8
79.05492	3.0
81.03410	0.5
81.07049	1.4
82.04198	0.8
85.02919	2.1
91.05479	1.9
93.03423	0.6
93.07080	0.9
95.04951	1.3
95.08601	0.6
97.02893	0.4
97.06527	0.9
97.90149	0.5
103.05482	3.9
105.03402	0.9
105.07018	0.9
106.04172	1.7
107.04977	4.4
107.08600	0.6
109.02861	0.6
110.03658	1.7
111.04472	0.5
115.05454	3.5
117.07022	5.1
118.04150	0.8
119.04898	0.6
119.71254	0.4
121.06523	0.6
121.10101	0.6
123.04427	5.6
124.05197	2.4
125.06004	1.2
127.05434	0.6
131.04929	3.4
133.06491	0.5
133.10133	0.7
137.05975	0.9
138.03102	0.6
142.02605	1.4
145.06490	7.6
146.95041	0.5
147.04459	0.5
147.08122	0.7
148.05247	2.0
149.06029	0.7
151.03912	1.3
152.04741	2.1
153.05460	1.4
155.06007	2.8
161.06029	0.7
163.07539	3.8
167.07045	100.0
168.07449	0.8
171.06517	1.6
173.05994	13.7
175.07571	0.7
176.04597	0.5
178.06380	0.4
179.00244	0.5
181.04964	40.7
191.07037	11.6
191.08760	0.5
195.06555	0.9
197.01212	1.4
201.05583	0.5
205.08557	2.7
209.07968	0.4
215.02303	0.5
217.08655	0.9
219.10201	1.0
221.08131	0.5
233.08058	7.3
235.09622	3.6
241.08607	0.6
255.06596	0.5
263.09195	0.9
299.95807	0.5
305.03305	0.6
307.09634	0.4
323.04501	0.7
325.10187	0.5
329.10291	2.5
357.13126	0.7
381.13309	1.0
385.13123	0.6
387.09424	0.7
387.14362	12.1
399.14392	1.0
417.15405	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1548
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03934	1.5
53.83776	0.5
55.01850	1.0
55.05499	1.9
56.96569	3.4
57.03431	0.8
63.83535	0.5
65.03922	1.7
67.05508	2.8
69.03405	1.8
69.07055	1.7
69.39944	4.2
71.04983	0.6
71.08595	1.0
77.03919	0.8
78.04724	3.3
78.05087	0.7
79.05497	6.2
81.03401	2.1
81.07060	4.7
82.04203	0.8
83.05008	0.7
83.08600	0.7
84.96046	1.4
85.02914	3.4
85.06535	0.8
91.05489	3.3
93.03387	0.8
93.07037	2.6
95.04995	2.8
95.08593	2.5
97.02890	1.3
97.06512	1.5
97.10149	0.7
98.97576	2.0
100.26627	0.5
101.06013	0.6
103.05479	3.8
105.03394	1.7
105.04527	1.0
105.07016	1.8
106.04175	1.9
107.04963	25.5
107.08585	2.4
109.02885	1.2
109.06523	0.8
109.10143	2.2
110.03654	0.9
110.97591	0.7
111.04450	0.7
115.05468	4.3
117.07024	5.2
118.06514	1.2
118.13455	0.5
119.08603	1.6
121.06460	0.7
121.10181	1.0
123.01139	0.6
123.04440	6.5
124.05204	2.2
125.05999	1.0
127.03927	1.4
128.98660	0.5
129.07016	0.9
130.06534	14.8
131.04947	3.3
131.08559	1.2
132.08070	0.8
133.06509	0.9
133.10141	0.8
134.03668	0.8
135.11697	1.1
137.05986	1.3
137.13239	0.7
138.03081	0.8
144.08093	1.2
145.06485	7.9
146.06027	3.9
147.04391	1.1
147.08046	0.8
148.05133	0.8
149.05983	0.7
151.03885	1.0
151.07567	1.0
151.14778	0.7
152.04718	2.3
153.05536	0.6
155.06047	4.8
156.08041	0.5
158.05966	0.8
159.11691	1.1
160.99107	0.6
161.09642	0.5
163.07570	2.3
167.07050	100.0
168.07486	1.0
169.01694	1.1
170.06024	1.2
170.99586	0.7
171.06543	1.0
173.05994	15.1
175.07588	0.6
179.00177	1.7
181.04968	31.4
188.07069	5.8
189.00732	0.7
191.07063	6.1
195.06546	0.8
197.01221	6.0
200.07111	1.3
201.05539	0.8
201.16371	0.7
204.13812	0.6
205.08481	3.0
206.09676	1.8
215.02274	2.0
217.08676	0.7
218.38661	0.6
219.01823	0.7
220.07637	0.9
233.08150	7.2
234.09175	6.2
235.09698	4.2
236.10706	3.8
237.02739	0.6
248.10725	0.8
255.23209	1.4
273.04285	0.9
283.10739	1.3
289.61441	0.6
291.05417	1.2
294.11252	17.7
301.11862	1.2
305.03403	2.5
306.11087	0.7
311.13882	9.7
319.12927	1.2
323.04309	2.6
329.10815	1.1
340.13196	0.5
341.05722	1.2
367.18091	1.3
381.13519	1.0
387.14380	10.9
387.19272	0.9
399.14413	1.0
399.19028	0.7
400.15408	6.5
417.15515	35.7
417.20898	6.2
418.16058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.64107	0.4
52.42338	0.4
53.03938	1.0
55.01873	0.5
65.03950	3.0
66.04706	0.6
67.05495	1.6
69.03411	1.1
69.07072	0.8
69.23231	1.7
69.23656	1.8
77.03938	0.7
78.04725	1.9
79.05500	3.1
81.03431	0.5
81.07044	0.8
82.04190	0.7
85.02904	2.0
91.05475	2.3
93.03403	1.1
93.07020	0.5
93.26270	0.4
95.04953	1.5
95.08585	0.4
97.06500	0.7
103.05473	5.7
105.03376	0.9
105.07013	1.1
106.04184	1.8
107.04951	5.4
109.10179	0.4
110.03648	1.4
111.04426	0.5
115.05454	3.6
117.07032	5.1
118.04156	1.5
123.04436	6.7
124.05209	2.1
125.05995	1.2
127.05399	1.0
129.06963	0.4
130.04071	0.7
130.06551	0.4
131.04944	4.3
132.05711	0.5
133.02866	0.5
133.06509	1.4
134.03564	0.6
137.05984	1.6
138.03114	0.7
142.02620	0.8
145.06483	8.2
146.03612	0.7
147.08061	0.7
148.05188	3.3
151.03876	1.7
152.04675	1.6
153.05481	1.6
155.06075	3.8
161.05965	1.1
163.07549	4.4
167.07043	100.0
168.07381	0.5
171.06508	1.3
173.05995	15.4
175.07510	0.8
176.04736	0.9
181.04958	44.2
187.07629	0.8
191.07033	16.3
193.08681	0.5
195.06522	1.0
197.01241	0.7
201.05440	0.5
205.08591	3.4
207.10123	0.5
209.08099	0.8
217.08588	1.5
219.10262	0.8
221.08125	0.5
233.08089	7.7
235.09708	3.4
237.18675	0.6
241.08626	0.5
245.08122	0.7
249.32858	0.4
255.06755	0.4
263.09216	0.8
265.08615	0.5
323.04340	0.6
329.10272	1.6
355.11951	0.6
357.13373	0.5
367.11954	0.5
381.13336	0.8
385.12631	0.5
387.09399	0.7
387.14374	14.4
399.14502	1.1
417.15454	38.0
418.15909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03932	1.0
55.01859	1.0
56.33296	0.3
65.03940	2.3
65.56569	0.3
67.05495	1.2
69.03416	1.0
69.07065	0.4
70.87852	0.7
70.88209	0.3
71.04976	0.5
77.03923	0.5
78.04708	2.7
79.05489	2.9
81.03404	0.8
81.07040	1.2
81.31282	0.3
82.04185	1.1
85.02907	1.6
91.05479	1.8
93.03410	0.9
93.07060	0.6
95.04955	1.1
95.08583	0.3
95.60321	0.3
97.02888	0.7
97.06532	0.9
102.04667	0.4
103.05473	7.5
105.03385	1.0
105.07057	1.6
106.04192	1.9
107.04961	4.2
107.08575	0.5
108.02103	0.3
109.02859	0.5
109.06554	0.6
110.03644	1.1
111.04465	0.5
115.05457	4.2
117.07017	6.0
118.04179	1.9
119.04922	0.7
119.08591	0.9
121.06509	0.3
122.03629	0.4
123.04436	7.1
124.05212	2.7
125.05976	1.4
127.05416	1.1
130.04150	0.8
131.04932	5.7
131.46948	0.3
132.05743	0.6
133.02827	0.7
133.06490	1.3
133.10118	0.7
134.03632	0.9
135.04424	0.3
135.11705	0.3
137.05995	1.3
138.03119	0.8
141.06964	0.3
142.02637	1.4
143.04878	0.4
144.05698	0.5
145.06485	8.9
145.10185	0.3
146.03596	0.6
147.04405	0.3
147.08047	0.7
147.11697	0.4
148.05188	4.1
149.05992	0.6
151.03906	1.3
152.04695	2.5
153.05450	1.6
155.04872	0.4
155.06039	3.8
159.08005	0.3
159.11671	0.4
161.05965	0.8
163.07549	7.1
165.09087	0.3
167.07042	100.0
168.07388	1.1
171.06583	1.8
173.05995	16.3
175.07571	0.7
176.04665	0.9
179.07062	0.3
181.04958	43.9
187.07591	0.8
190.06287	0.3
191.07037	24.4
193.05032	0.4
193.08633	0.9
195.06537	1.0
201.05452	0.9
201.16331	0.4
203.07013	0.4
205.08600	3.2
207.06548	0.4
207.10109	0.5
209.08058	0.5
217.08598	0.6
219.10147	1.1
221.08153	0.8
233.08081	7.1
235.07465	0.6
235.09633	3.9
245.08038	0.3
246.32877	0.3
255.06544	0.8
263.09177	1.5
290.05676	0.3
297.11377	0.3
327.12732	0.4
335.09198	0.4
344.75934	0.3
357.13406	0.5
367.11612	0.5
381.13364	0.6
385.12732	1.1
387.14398	13.2
399.14603	0.7
417.15424	36.8
418.15781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
55.01858	1.7
55.05508	2.5
65.03951	2.9
67.05491	3.5
69.03438	8.2
69.07062	3.1
69.43334	3.6
69.43742	10.3
75.46609	1.6
79.05502	5.5
81.03400	4.0
81.07068	8.4
85.02912	5.5
85.06551	2.0
91.05485	15.5
92.15643	1.8
93.07053	5.3
95.08623	5.3
97.02893	3.6
98.20704	2.7
99.08081	2.0
103.05521	2.2
105.07032	4.3
107.04958	4.8
107.08582	3.7
109.02880	2.1
109.06494	2.5
109.10162	5.4
117.07050	1.7
119.04943	17.0
119.08613	2.7
121.10150	4.3
123.04420	2.2
123.93211	1.6
127.03928	4.5
127.11217	2.0
131.04907	2.1
133.10117	3.1
135.11731	1.7
139.11237	2.1
145.06519	4.9
145.10085	3.6
147.04414	100.0
147.11667	1.9
151.11142	3.3
153.01904	4.4
153.03271	1.6
154.06760	1.5
159.08096	2.3
165.05505	1.9
167.07051	40.6
173.06009	7.1
179.07013	2.3
181.04951	17.5
191.07092	2.3
201.16402	1.8
219.17557	1.4
233.08115	2.6
237.18510	4.6
255.06548	57.4
255.19511	2.2
291.08621	4.0
303.81171	1.4
309.09647	7.4
387.14450	3.9
417.15369	25.1
417.20364	3.0
417.26328	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1182
Annotation	Daidzin
Peak:m/z	Relative Intensity
53.98681	0.1
63.05192	0.1
67.01859	0.4
68.99795	0.4
69.03416	0.1
69.59756	0.1
69.60748	0.5
69.61158	0.2
70.26667	0.1
71.04956	0.2
79.05473	0.2
81.03397	0.1
81.07034	0.2
85.02882	0.3
91.05484	0.3
91.80563	0.1
93.07066	0.3
95.08608	0.2
98.97533	0.1
103.05473	0.8
105.03396	0.4
105.07015	0.3
106.32374	0.1
107.04970	0.2
107.08569	0.3
109.02899	0.1
117.06984	0.2
119.95024	0.1
121.02869	0.4
121.10117	0.2
123.04477	0.1
129.03366	0.5
131.08585	0.1
135.11694	0.1
145.06454	0.3
147.04439	0.7
153.01834	3.1
167.07027	1.7
171.03026	0.1
173.05943	0.3
181.04958	0.7
187.07579	0.3
191.06966	0.1
209.05901	0.4
213.05472	0.3
231.06506	0.3
237.18427	0.2
255.06522	100.0
256.06891	1.3
387.14322	0.2
417.10779	0.2
417.15921	1.6
417.20840	0.2
417.25937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03948	0.5
54.77367	0.2
55.01867	0.4
56.96574	0.3
63.89116	0.2
64.32619	0.2
65.03927	1.1
66.04725	0.2
67.05489	0.8
69.03411	0.7
70.09435	0.2
70.84108	0.3
70.84463	0.6
78.04714	2.8
79.05488	1.1
81.03383	0.5
81.07043	0.7
82.04195	0.8
85.02908	1.7
91.05463	1.1
93.03386	0.5
93.07014	0.3
95.04956	0.9
95.07608	0.2
95.08555	0.3
96.05741	0.3
97.02907	0.5
97.06503	0.6
98.97592	0.5
103.05466	1.3
104.74869	0.2
106.04163	1.9
107.04960	1.8
107.08586	0.3
108.02114	0.3
109.10104	0.3
110.03648	0.6
115.05447	3.1
117.07021	5.5
119.08555	0.3
121.06519	0.3
122.03695	0.4
123.04427	6.9
123.05319	0.3
123.11660	0.4
124.05219	2.4
125.05952	0.5
127.05393	0.6
127.11183	0.5
131.04889	0.4
133.10150	0.4
134.03590	0.3
137.05948	0.6
138.03084	0.3
142.02597	0.4
143.04903	0.3
144.05699	0.3
145.06483	8.3
145.10135	0.3
147.04332	0.4
147.08105	0.5
151.03918	1.3
151.11150	0.6
152.04680	2.1
153.05495	0.5
155.04836	0.5
155.06027	3.7
165.05406	0.3
167.07042	100.0
168.07364	0.6
171.06519	0.6
173.05991	16.9
175.07561	0.6
181.04964	19.8
190.06184	0.4
191.07060	0.4
201.05476	0.7
205.08598	3.3
208.12215	0.8
220.12682	0.2
221.08144	0.4
233.08063	7.1
235.07471	0.4
235.09653	3.3
237.18483	0.6
245.08240	0.3
323.09207	0.3
387.14401	15.2
399.14703	0.3
417.15439	36.6
418.15793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.7
69.03406	1.1
70.06597	0.6
71.04971	0.5
71.54602	0.6
79.05485	0.6
81.07045	0.8
85.02898	1.6
91.05489	6.3
93.07050	1.2
97.02898	0.6
97.06551	0.5
98.97526	0.5
103.05441	0.5
105.06998	0.6
107.04930	0.8
107.08610	1.4
109.02863	1.1
109.10163	0.8
119.04947	21.3
119.08576	0.8
120.05276	0.6
121.02883	1.0
121.10146	0.5
122.93100	0.4
123.04430	0.9
127.03960	0.6
131.04918	1.2
131.08540	0.5
133.10075	0.8
135.11621	0.5
147.04419	100.0
148.04716	1.2
165.05447	3.2
167.07040	2.2
173.06001	0.8
181.04977	1.2
219.10129	0.4
219.13802	1.6
237.11180	0.6
309.09613	4.0
416.19666	0.9
417.15021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
57.03427	1.2
61.02923	0.9
65.03952	1.1
67.38399	0.8
68.31155	0.9
69.03441	4.8
69.57526	5.3
71.04982	0.9
73.02906	1.0
74.09391	0.8
79.05502	1.2
81.03418	6.3
81.07057	2.2
83.85943	0.9
85.02905	8.7
91.05474	5.9
93.07040	1.4
95.04971	6.9
95.08626	1.3
97.02900	3.6
97.06526	1.1
98.20811	1.6
98.97578	2.4
99.04440	1.2
103.05463	3.7
105.03397	1.8
107.08607	2.4
109.02850	2.9
109.10150	1.2
111.04442	1.0
119.04951	8.3
121.02879	100.0
121.10120	2.6
122.03214	0.8
123.04513	1.0
125.09577	1.0
127.03920	2.6
131.04941	24.3
131.08549	0.9
133.02856	1.1
133.10165	1.2
135.11697	0.9
137.05942	1.1
139.03908	17.9
145.04912	1.0
147.04420	50.6
149.06021	1.7
149.13213	1.4
151.11168	5.7
158.99556	1.2
163.14709	1.0
165.05438	1.7
167.07039	2.6
167.14381	0.9
191.14311	5.6
209.15396	9.4
235.16776	1.0
236.17194	1.3
247.05898	0.9
249.07365	1.6
265.07123	6.6
283.08139	27.1
283.11304	1.4
291.08377	1.3
293.10248	2.9
309.09625	3.6
382.46194	0.8
416.18713	1.5
416.23370	12.5
417.15784	1.4
417.21112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.05508	5.9
56.96563	4.3
57.07083	4.2
59.34753	3.0
61.02939	2.7
61.89314	2.0
65.03912	3.0
67.05515	7.3
67.27456	2.3
67.66660	2.3
69.03436	12.6
69.07074	4.6
69.56943	15.6
71.05020	4.1
79.05510	15.0
81.03414	7.7
81.07080	11.9
83.04994	2.3
83.08601	4.6
85.02913	20.5
85.06562	2.7
87.00829	3.3
89.06044	4.9
91.05482	21.0
93.07044	25.2
95.04963	3.4
95.08608	11.8
97.02915	12.9
97.06561	3.7
98.20673	2.9
98.97601	5.2
99.04463	3.3
102.04725	2.7
103.05505	3.9
105.01901	3.7
105.07063	13.1
107.04987	13.9
107.08601	17.2
109.02895	6.7
109.06536	5.7
109.10159	7.0
115.05504	5.0
116.98652	2.4
117.07002	4.5
119.04981	5.7
119.08600	10.9
121.02935	4.9
121.06535	3.8
121.10145	25.0
122.03680	5.3
127.03934	8.1
129.06996	5.9
131.04959	9.6
131.08612	13.6
132.05339	2.7
133.06512	3.9
133.10147	7.1
135.04399	4.2
135.08028	4.2
135.11719	5.6
137.05989	68.2
137.09599	3.0
141.07001	3.3
142.07787	2.8
145.04971	5.1
145.06494	5.3
145.10135	3.5
147.04434	16.8
147.08081	2.2
147.11713	4.5
149.06049	4.6
149.09650	8.3
151.07550	10.7
155.08551	5.0
157.06557	5.4
158.07343	3.1
159.08073	8.5
159.11705	2.6
161.06052	14.6
161.09714	4.6
163.11269	4.0
165.07025	3.7
165.12709	3.4
167.07056	5.6
167.08524	3.9
167.10657	3.2
169.06505	3.9
171.08098	4.2
172.08899	4.0
173.09610	3.3
174.06761	6.6
175.07597	8.2
176.88927	2.6
181.06561	4.2
182.07314	6.0
184.08861	3.0
185.06079	2.6
185.09641	6.8
187.07552	5.6
189.09125	4.8
191.07060	5.4
194.07219	2.8
195.08133	2.8
197.09653	8.5
198.06779	16.8
199.07640	5.9
199.11227	2.9
201.09155	3.2
210.06790	3.2
211.07619	6.7
213.09143	22.9
215.10728	8.5
217.08607	2.6
219.01930	4.5
219.10130	5.7
220.08946	2.8
225.09143	13.9
227.10640	3.7
229.08612	3.0
231.10214	4.5
232.75082	2.3
235.16943	6.1
240.07748	3.6
243.10187	21.1
245.15495	3.2
253.18079	6.8
255.10172	7.1
261.11261	4.2
273.11255	67.8
285.09061	5.1
292.11063	3.0
307.09683	5.5
317.11810	3.0
321.11176	3.2
335.12589	4.4
349.14301	3.6
351.12598	5.0
354.14734	5.0
365.14078	3.0
379.15405	5.0
397.16528	100.0
398.16632	3.7
415.10016	4.5
415.18784	25.1
415.23676	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14468	0.6
53.03949	1.5
54.11535	0.5
55.01865	0.7
56.96566	0.5
64.71338	0.5
67.05515	1.0
69.03436	1.2
70.06595	0.6
70.32111	1.0
70.32521	1.7
71.05002	0.8
79.05488	1.3
81.03424	4.9
81.07060	1.4
83.04986	0.9
85.02898	2.3
86.09694	1.2
91.05484	1.2
93.07047	1.9
95.04971	0.9
95.08632	1.3
97.02892	1.0
97.06544	0.7
98.97587	0.9
105.03423	0.5
105.07024	1.5
107.04965	1.7
107.08599	1.0
109.02900	3.3
109.06532	1.1
109.10149	1.0
117.07059	0.6
119.08600	1.5
121.02883	2.3
121.10160	1.4
123.04458	0.7
123.08138	0.8
127.03931	1.4
129.50746	0.5
131.04951	0.7
131.08606	0.7
133.10248	0.6
134.93559	0.5
135.04469	0.5
135.11717	0.5
137.02367	0.5
137.05937	0.6
141.09097	0.5
143.01945	2.3
145.10130	0.9
147.04478	0.7
147.08130	0.6
147.09175	1.2
147.11717	0.8
149.09630	0.6
161.01039	0.6
161.02946	1.5
163.11246	1.7
167.07024	0.6
175.08719	1.2
175.14812	0.6
183.10078	0.7
191.08163	0.8
203.03960	0.7
205.56721	0.5
211.13110	7.9
221.05298	0.6
225.14697	1.2
227.12549	4.6
235.16956	2.2
241.14197	0.6
253.14511	1.0
253.18092	0.6
255.15878	0.7
355.16132	1.7
371.16226	1.2
397.13855	1.2
415.15240	6.8
415.19626	13.1
415.26715	100.0
416.27087	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41041	2.3
51.56063	2.1
53.03941	4.8
55.01863	6.6
55.05513	64.2
56.28894	2.3
56.96553	6.8
57.03441	17.2
57.07080	29.1
61.02916	2.8
67.05508	49.3
69.03429	2.9
69.07070	77.7
71.04969	6.4
71.08635	17.8
79.05491	24.4
81.07063	66.7
82.22546	2.2
83.04971	6.4
83.08157	3.2
83.08621	57.7
85.02905	3.3
85.06548	5.9
85.10173	7.1
87.00822	30.9
88.35807	2.3
91.05487	7.5
93.07055	36.5
95.05002	2.9
95.08608	50.4
97.06507	14.6
97.10176	40.5
99.08050	3.4
105.01865	11.2
105.07059	5.0
107.08603	27.2
109.10144	20.7
111.08072	9.1
111.11717	12.3
119.08588	61.8
121.10145	36.7
123.11727	16.0
125.06033	3.6
125.09647	5.2
125.13286	5.2
135.11713	28.2
137.13231	8.6
139.07495	3.1
139.11177	4.8
143.03372	8.9
147.11656	4.6
149.13293	17.3
153.12758	2.8
163.14795	8.5
167.14276	4.2
171.13785	2.3
177.16348	2.8
219.21078	36.3
229.07184	2.4
237.22128	100.0
255.12631	5.1
255.23201	68.3
255.25844	3.5
261.22079	3.8
273.13687	2.5
279.23309	4.4
296.25677	3.2
297.24188	3.3
311.25809	6.7
321.24759	2.7
323.22192	22.3
329.26788	14.9
341.23270	16.8
359.23999	2.4
397.26050	14.2
415.27042	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1755
Annotation	chaetoglobosin L
Peak:m/z	Relative Intensity
50.19323	2.1
53.03940	4.7
55.01863	3.4
57.03423	3.1
65.03252	2.2
67.05514	5.0
69.03437	11.5
69.07075	3.7
69.70358	11.9
76.42464	2.4
79.05502	8.0
81.03416	7.0
81.07056	7.4
83.04987	3.2
84.96018	2.4
85.02910	14.7
91.05496	11.7
93.07052	18.0
95.04993	4.4
95.08608	6.8
97.02909	8.9
97.06557	3.2
99.04523	3.0
103.05463	2.8
105.01962	2.8
105.07037	6.7
107.04967	12.9
107.08599	6.8
109.02906	3.4
115.05491	3.8
119.04927	3.5
119.08566	5.6
121.06505	2.7
121.10152	16.1
122.03635	4.5
123.08103	2.6
123.11689	3.2
127.03888	7.7
128.06273	2.8
129.07004	6.9
131.04922	6.6
131.08594	8.2
133.10146	5.8
135.08090	2.9
135.11649	3.5
137.05989	60.5
141.06982	6.2
142.10225	2.5
143.08496	3.3
145.04964	3.2
145.06502	2.8
146.07164	2.8
147.04428	8.3
147.08067	2.6
149.06003	2.9
149.09622	5.6
149.13268	3.0
151.07547	7.0
153.06946	2.6
155.08563	4.7
157.06554	3.7
159.08086	5.4
161.05984	11.2
161.09706	2.9
171.08051	4.1
172.08798	3.9
173.09552	3.2
174.06837	5.3
175.07527	3.8
178.79474	2.6
183.08034	4.0
185.06036	2.8
185.09633	8.0
187.07518	6.4
189.09151	3.3
189.12807	4.1
191.10605	3.5
197.09650	10.7
198.06778	12.4
199.07555	9.9
200.08272	2.9
201.09093	5.9
211.07672	4.7
212.08278	4.0
213.09097	24.2
215.10687	4.7
217.12231	2.4
217.15833	2.8
219.10172	4.0
225.09157	9.5
235.16982	5.2
243.10175	18.5
253.17969	6.6
255.10121	7.6
257.09497	2.5
261.11298	4.2
267.17508	2.7
273.11264	59.4
303.09912	2.7
305.11597	2.6
307.09592	2.5
309.11392	3.5
321.11157	3.3
341.13837	2.9
349.14377	4.7
354.14612	3.6
367.15533	5.3
378.59689	2.4
379.15497	3.2
397.16498	100.0
415.10358	4.6
415.17947	23.1
415.23853	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	415.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01876	1.6
55.05511	2.3
55.89879	0.7
57.03436	1.3
57.07050	0.7
58.99592	7.6
67.05511	4.8
69.03432	50.1
69.07082	1.3
69.25827	6.0
71.04992	1.5
73.01142	3.7
73.02894	0.6
75.02708	1.1
75.84377	0.6
75.94396	0.7
77.00659	0.7
79.05496	3.8
81.03458	1.6
81.07057	5.9
83.04981	1.9
85.01146	3.4
85.02914	3.1
85.06528	1.3
86.99059	7.5
87.00832	7.1
87.04493	3.2
89.00623	1.0
91.05471	4.9
93.07048	4.5
93.98830	0.6
95.04981	2.6
95.08605	3.6
97.02905	1.5
97.06549	2.4
98.97607	1.2
99.02689	3.8
99.04475	0.9
99.08043	0.6
101.83447	0.6
103.02219	1.5
105.00096	3.8
105.03407	2.9
105.07051	2.8
107.04971	2.4
107.08605	2.5
109.02892	12.1
109.06534	2.5
109.10155	13.3
111.04473	0.8
113.00600	29.6
113.04250	3.0
117.03721	2.2
117.07044	0.9
119.01667	2.3
119.04890	0.9
119.08555	3.1
121.06546	2.8
121.10123	3.3
123.04419	0.9
123.08089	1.4
125.06002	0.8
125.09638	0.9
127.03756	3.9
127.11172	0.9
131.01656	5.3
131.04900	0.9
131.08557	1.5
133.10156	2.0
135.08043	1.1
135.11687	1.4
137.05995	6.0
137.09630	5.0
139.11205	7.6
141.03677	1.1
145.03188	7.3
145.10136	1.2
147.04434	1.8
147.07941	0.6
147.11697	3.0
149.05974	1.5
149.09686	1.2
151.07523	1.8
153.05492	1.0
157.10210	0.8
158.99637	0.7
159.11757	1.5
161.13336	1.1
163.04253	3.7
167.07016	1.5
173.02690	2.9
173.09637	0.7
173.13297	0.7
177.05515	1.4
177.12852	0.8
179.10616	0.7
181.04997	2.0
183.04762	58.7
185.04237	3.0
189.12729	4.2
189.55809	0.7
191.00078	2.8
191.03708	2.4
193.28410	0.6
195.06517	2.0
203.05302	11.9
207.13803	3.0
217.15869	1.8
222.33624	0.7
235.16991	5.3
239.11014	100.0
245.43703	0.6
253.14224	2.1
271.05981	1.8
283.13568	2.4
289.08978	5.4
311.13092	3.0
415.19284	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03933	2.4
55.01866	1.1
55.05501	1.1
56.96570	1.2
61.02950	1.0
69.03434	19.0
69.07088	1.0
71.04971	1.6
71.54470	0.7
77.03938	1.0
79.05494	8.3
81.03409	2.6
81.07065	2.1
83.71207	0.8
85.02916	3.9
85.06541	0.9
91.05491	5.9
93.07036	5.0
95.04963	2.6
95.08622	1.3
97.02888	3.0
97.06541	1.0
98.97600	2.0
99.04460	1.1
103.05474	10.3
105.03398	0.9
105.04534	0.8
105.07047	3.5
107.04958	100.0
107.08583	3.4
108.05295	0.6
109.02879	1.9
109.06503	0.8
109.10114	0.8
115.05478	1.5
119.04962	6.3
121.02861	2.7
121.06545	0.7
121.10158	5.4
125.09660	1.0
127.03930	9.2
129.07001	1.5
131.03915	1.5
131.04930	30.1
131.08575	2.3
133.06442	1.9
133.10132	1.8
137.05991	7.7
142.07722	0.8
143.10649	1.0
144.47836	0.8
145.06512	1.3
147.03241	1.5
147.04414	31.2
147.11700	1.0
148.00063	0.7
148.04813	0.8
149.06006	2.5
149.09676	1.6
151.07555	1.5
155.08586	0.9
159.04422	69.8
161.05971	2.0
161.09589	1.4
161.26491	0.7
165.05527	0.7
167.07060	1.3
167.10716	1.5
169.06537	0.8
171.04439	0.8
173.06064	1.1
177.05473	64.5
179.10689	0.7
180.06233	0.7
185.05943	0.8
185.09647	1.2
187.07611	1.2
189.05518	2.0
189.09216	1.4
197.09673	1.3
198.06737	1.7
199.07578	1.5
202.06323	1.1
213.09183	2.5
215.10664	0.8
217.15936	1.2
219.01840	1.2
219.10262	1.0
225.09158	2.4
235.07547	2.5
235.16931	1.7
237.02692	0.9
243.10252	3.1
253.08604	63.9
254.08907	1.1
255.10081	0.9
265.11618	0.7
271.05948	5.5
273.11230	8.1
277.08658	1.1
309.09799	2.6
317.11557	1.3
319.04669	0.8
321.11249	0.8
349.10495	0.9
354.14618	0.8
357.15100	1.7
397.12726	2.1
397.16943	9.9
415.09607	1.6
415.13892	3.5
415.19159	5.1
415.24176	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	415.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01876	1.6
55.05511	2.3
55.89879	0.7
57.03436	1.3
57.07050	0.7
58.99592	7.6
67.05511	4.8
69.03432	50.1
69.07082	1.3
69.25827	6.0
71.04992	1.5
73.01142	3.7
73.02894	0.6
75.02708	1.1
75.84377	0.6
75.94396	0.7
77.00659	0.7
79.05496	3.8
81.03458	1.6
81.07057	5.9
83.04981	1.9
85.01146	3.4
85.02914	3.1
85.06528	1.3
86.99059	7.5
87.00832	7.1
87.04493	3.2
89.00623	1.0
91.05471	4.9
93.07048	4.5
93.98830	0.6
95.04981	2.6
95.08605	3.6
97.02905	1.5
97.06549	2.4
98.97607	1.2
99.02689	3.8
99.04475	0.9
99.08043	0.6
101.83447	0.6
103.02219	1.5
105.00096	3.8
105.03407	2.9
105.07051	2.8
107.04971	2.4
107.08605	2.5
109.02892	12.1
109.06534	2.5
109.10155	13.3
111.04473	0.8
113.00600	29.6
113.04250	3.0
117.03721	2.2
117.07044	0.9
119.01667	2.3
119.04890	0.9
119.08555	3.1
121.06546	2.8
121.10123	3.3
123.04419	0.9
123.08089	1.4
125.06002	0.8
125.09638	0.9
127.03756	3.9
127.11172	0.9
131.01656	5.3
131.04900	0.9
131.08557	1.5
133.10156	2.0
135.08043	1.1
135.11687	1.4
137.05995	6.0
137.09630	5.0
139.11205	7.6
141.03677	1.1
145.03188	7.3
145.10136	1.2
147.04434	1.8
147.07941	0.6
147.11697	3.0
149.05974	1.5
149.09686	1.2
151.07523	1.8
153.05492	1.0
157.10210	0.8
158.99637	0.7
159.11757	1.5
161.13336	1.1
163.04253	3.7
167.07016	1.5
173.02690	2.9
173.09637	0.7
173.13297	0.7
177.05515	1.4
177.12852	0.8
179.10616	0.7
181.04997	2.0
183.04762	58.7
185.04237	3.0
189.12729	4.2
189.55809	0.7
191.00078	2.8
191.03708	2.4
193.28410	0.6
195.06517	2.0
203.05302	11.9
207.13803	3.0
217.15869	1.8
222.33624	0.7
235.16991	5.3
239.11014	100.0
245.43703	0.6
253.14224	2.1
271.05981	1.8
283.13568	2.4
289.08978	5.4
311.13092	3.0
415.19284	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05505	0.9
56.96302	1.4
56.96566	19.9
56.98080	0.8
57.03423	1.4
61.02922	2.6
64.05412	0.7
69.03431	3.9
69.07062	1.5
70.27364	2.4
70.27695	0.7
71.04988	1.1
71.95258	2.1
73.02915	2.3
73.06586	0.7
81.03407	2.3
82.02910	1.0
83.06116	0.7
84.08125	0.9
84.96040	5.8
85.02905	8.8
85.55207	0.8
86.09709	5.5
87.04443	1.1
93.86661	0.7
97.02886	5.7
97.96815	1.4
98.97585	100.0
99.04398	0.8
105.03373	1.9
106.88036	0.7
107.04958	2.2
109.02875	0.7
110.02345	1.2
110.97573	14.5
112.99148	4.6
116.98624	37.5
119.01872	2.1
119.04951	1.0
123.04387	1.1
124.05047	1.2
125.03500	1.2
125.94055	0.8
126.97057	0.8
127.03911	3.4
128.98608	13.1
131.00153	3.1
132.10211	1.0
134.99655	11.2
135.05580	0.8
136.06129	3.6
137.05956	3.0
140.00235	0.9
140.98592	1.6
142.06145	1.0
143.00174	4.2
143.01837	1.2
144.98120	0.9
145.04926	1.1
146.99666	5.6
147.04395	3.1
149.01164	2.4
152.04561	1.6
152.98607	1.4
155.04651	1.0
158.01245	1.1
158.99654	14.4
161.01216	5.9
161.02794	0.9
162.99123	1.1
163.03885	0.7
165.00731	0.8
166.08655	1.8
167.00134	0.8
168.03586	0.9
169.04430	1.3
170.99655	4.1
172.94339	1.4
173.01230	0.9
177.00740	11.7
179.00110	1.7
179.07074	1.2
185.01239	1.3
189.00758	3.4
190.95477	1.2
192.98077	1.6
193.01767	1.1
194.99689	1.5
195.01701	1.3
197.01228	0.8
198.99124	0.8
201.00685	5.0
203.02286	1.1
205.00275	1.0
209.05074	1.0
210.99150	2.9
211.02785	1.5
211.10783	1.2
211.99965	1.7
212.09174	1.1
213.00742	1.7
214.95357	1.3
219.01758	21.4
220.00471	1.0
222.03787	0.9
223.02823	1.9
226.01477	1.6
227.02246	2.0
227.06657	4.6
229.00185	4.9
230.00929	1.1
232.96431	3.4
235.02887	7.8
235.04977	1.4
237.00449	1.5
237.02785	28.2
238.01495	2.9
241.03836	3.3
245.06880	1.7
247.01265	1.8
247.04904	0.9
251.02298	2.8
253.03816	6.4
256.02585	1.2
256.96448	4.4
260.04349	1.0
269.03293	7.1
271.01410	1.9
271.04935	2.5
274.97525	30.2
277.03867	8.7
279.05191	1.2
284.12469	1.7
287.04248	0.9
292.98547	12.6
294.06079	1.3
295.04861	10.1
297.02783	1.1
297.99152	1.4
306.93127	1.0
311.04428	5.3
313.05881	1.4
325.05728	1.0
337.02267	1.4
337.05945	2.8
355.03036	4.3
355.07269	2.6
367.06995	1.2
373.04288	13.3
414.95428	1.8
415.09604	36.7
432.96423	1.8
433.10245	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	414.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70844	0.6
53.11597	0.6
54.25495	0.6
55.01865	1.2
57.03436	1.1
57.72583	0.7
61.02914	1.3
62.73126	0.6
69.03439	6.0
70.06593	0.7
70.38724	1.3
70.39117	1.3
70.72169	0.6
71.04995	1.3
73.02893	0.7
73.06551	0.9
81.03413	2.4
81.07059	0.8
83.04968	1.2
84.08161	1.6
85.02914	8.6
87.04481	1.4
88.04010	7.1
89.06042	2.6
97.02921	6.1
98.97581	2.1
99.04426	2.0
101.06020	2.2
103.39773	0.7
107.04961	2.1
109.02886	2.4
116.98593	1.0
119.07084	0.9
119.08526	0.9
121.02871	5.6
121.06533	2.1
124.07599	2.1
127.03910	2.8
128.07083	3.1
137.05952	10.2
145.04985	2.0
147.08084	2.3
149.05957	2.0
151.07588	2.5
153.05473	1.9
159.08080	1.9
161.05998	6.7
175.07544	4.8
177.09138	4.0
190.12354	0.8
203.07115	3.9
206.11809	13.5
221.06268	0.8
221.08015	4.1
235.11591	0.9
237.02921	1.0
243.08502	0.8
252.12334	100.0
253.12811	1.1
255.07796	0.8
356.57059	0.7
414.14163	8.5
414.18027	7.6
415.06076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	16.5
59.04967	3.6
60.04504	2.7
61.02925	2.0
66.96524	1.5
69.03431	57.3
71.48080	2.7
73.02903	2.2
75.59758	1.5
78.57542	1.7
81.03440	2.7
83.12503	1.8
85.02903	50.0
87.04469	45.4
97.02890	59.1
98.06033	2.6
107.04959	2.9
109.02889	1.7
115.03927	78.8
127.03914	13.5
133.04964	100.0
144.06520	1.6
145.04956	15.8
150.07607	7.0
163.06007	6.8
180.08662	3.0
205.05008	3.9
206.05344	4.7
241.07060	2.8
247.11763	2.8
251.05504	11.5
252.05853	31.2
259.08105	4.2
295.10239	2.8
327.39035	1.7
340.18057	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
53.27584	1.6
55.05507	1.9
57.07077	19.6
62.84795	1.6
66.65867	1.5
69.07065	2.7
69.16061	9.5
69.16487	6.6
70.02675	1.6
71.08636	34.9
73.59583	1.3
77.06078	1.4
78.63293	1.7
79.05466	1.8
81.07043	2.9
85.10188	19.5
87.04459	1.6
88.58820	1.6
89.06037	33.6
91.05493	8.3
93.07049	16.2
95.04961	4.8
95.08573	1.8
98.20741	3.5
103.05457	3.2
105.04513	1.8
107.08521	2.1
111.50909	1.5
119.08570	6.0
121.06507	56.1
127.14783	1.5
133.08612	14.3
147.08044	2.5
149.09608	1.4
165.09108	27.1
165.49892	1.5
174.49963	1.8
177.11221	5.7
183.10085	2.4
209.11691	9.6
247.20490	3.4
271.15399	100.0
291.23080	3.3
307.50998	2.1
355.35327	1.5
397.29520	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	45.9
56.96851	2.3
57.03423	1.7
57.61546	0.8
59.04994	1.0
61.02924	2.0
65.71072	0.8
68.68461	1.1
69.03420	4.4
70.12054	4.3
73.02918	1.4
81.03421	1.1
83.04971	1.0
84.96044	16.2
85.02901	11.2
86.09689	2.1
89.06023	2.7
92.64054	1.0
97.02880	4.3
97.96824	0.9
98.20821	1.4
98.97585	76.8
99.04456	1.5
101.06022	1.3
102.97032	1.1
107.04939	4.0
109.02902	1.9
109.36819	1.0
110.97569	19.2
112.99134	6.4
116.98622	26.6
119.01888	1.2
119.08524	1.1
120.39989	1.0
124.99126	3.7
126.97030	1.6
127.00759	1.0
127.03915	3.1
128.98618	16.3
130.05040	1.5
130.08684	1.4
131.00183	5.2
131.02028	1.0
134.97542	3.6
134.99657	4.1
136.06181	1.3
140.00197	1.2
140.98553	3.7
143.00163	14.3
144.98071	3.2
145.04921	1.1
146.99625	5.9
147.07634	1.1
149.01256	1.4
152.98593	11.5
158.99686	9.9
161.01218	13.9
162.97066	1.3
162.99118	2.6
167.00192	6.6
168.03348	1.3
170.99652	12.1
177.00731	8.5
179.02286	3.6
180.98077	2.8
182.99698	1.1
185.01221	9.3
186.04393	3.4
189.00682	4.3
192.98132	3.8
194.99710	5.4
198.99129	3.8
201.00687	9.3
203.00575	1.0
203.02283	4.3
204.05516	1.4
207.01720	2.6
209.01395	1.1
210.99120	20.0
211.01039	1.4
213.00685	8.3
219.01767	33.5
221.01106	1.2
223.02580	1.0
227.02287	2.8
227.06754	2.3
229.00192	54.9
235.02869	2.5
237.00461	2.2
237.02800	34.4
237.05154	1.8
238.01306	1.2
243.01761	1.8
247.01227	8.6
253.00134	7.7
253.03879	2.2
253.11913	1.1
255.03903	1.3
265.00247	1.8
267.01706	1.8
271.01257	10.5
275.02219	2.6
277.00443	1.7
277.03708	1.7
279.01660	3.1
283.01248	1.4
284.12344	1.4
286.06042	1.7
293.03232	2.4
295.01297	5.8
295.04605	1.4
297.02872	4.6
313.02332	3.2
325.02237	1.8
337.02301	7.6
355.03351	46.1
373.04413	100.0
374.04758	1.5
387.30264	1.1
391.05362	4.5
396.05820	2.9
415.05331	19.9
415.10117	1.9
433.06198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18316	0.4
67.05508	0.6
71.04975	0.4
72.60087	0.4
79.05492	1.0
81.07053	0.6
85.02899	0.6
91.05468	0.7
93.07050	0.8
98.97602	0.5
105.07024	0.8
107.04958	2.3
107.08567	0.6
111.62042	0.5
119.04959	0.8
119.08554	0.5
121.10110	0.5
125.10477	0.4
130.06532	2.4
131.04866	0.4
131.08597	0.4
132.04471	0.8
132.08057	0.4
132.57614	0.5
133.10147	0.6
135.11713	0.9
137.06003	0.5
142.06575	0.4
145.10155	0.5
147.04427	3.4
154.33812	0.4
157.07635	3.9
158.06023	3.5
159.08005	0.5
159.09192	1.0
175.08720	1.2
185.07106	0.5
220.84912	0.4
227.08205	0.7
229.00279	0.4
234.09132	1.1
245.09261	1.4
251.16389	1.0
261.08771	0.8
261.14807	0.4
271.07059	0.8
289.08163	2.5
307.09351	1.0
351.13657	0.5
413.21478	100.0
414.21863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.05513	0.4
67.05504	0.5
69.03432	0.9
71.57034	0.4
79.05495	0.4
81.03384	0.8
81.07070	0.5
85.02910	0.7
91.05479	1.1
93.07030	0.6
95.05007	0.4
95.08607	0.5
97.02883	0.3
97.06546	0.4
98.97594	1.3
105.06984	0.3
107.08560	0.6
109.83141	0.4
110.97639	0.4
111.04387	0.3
119.04946	1.6
119.08627	0.3
134.90746	0.4
137.05931	0.5
145.05003	0.4
145.10117	0.6
147.04413	6.0
147.08058	0.4
158.90785	0.3
173.09669	0.4
189.13858	0.3
203.05241	0.5
203.07227	0.3
205.08127	0.4
233.15414	0.4
251.16289	1.5
310.90405	0.3
329.91843	0.3
383.20398	7.4
383.24951	0.6
413.21466	100.0
414.21750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.215
Annotation	Lys Glu His
Peak:m/z	Relative Intensity
51.25488	0.4
57.03421	0.6
61.02925	0.5
67.05496	0.6
67.52280	0.4
69.03426	1.2
69.07084	0.4
70.06596	0.5
71.05015	0.8
71.54498	0.7
71.54836	0.4
73.02901	0.7
79.05497	0.7
80.93040	0.4
81.03413	0.7
81.07065	0.5
85.02906	2.5
86.09711	0.5
91.05485	0.4
93.07033	1.3
95.04948	0.7
95.08636	0.5
97.02895	0.9
98.97575	1.3
99.04427	0.5
103.45304	0.4
105.07018	1.2
107.04956	0.6
107.08597	0.9
109.02892	0.5
115.03931	0.7
121.57700	0.4
123.08081	0.5
127.03916	1.1
131.08582	0.5
137.09647	1.0
147.04448	0.8
154.05054	0.4
159.11658	0.5
177.05519	0.8
205.04927	1.1
233.11694	0.6
233.15436	0.7
251.05510	2.7
251.12518	1.6
251.15434	0.4
319.14777	0.4
359.07581	0.6
413.21747	100.0
414.21884	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3779
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
52.69468	6.4
55.05500	12.8
57.07081	9.9
61.47605	6.1
67.05482	24.2
69.07076	32.9
69.49364	28.4
69.49769	14.6
71.08627	22.3
72.06529	5.9
79.05492	9.8
81.07058	46.9
82.06740	6.6
83.08606	17.8
85.10177	10.3
91.05469	12.2
93.07037	25.3
95.08616	40.6
97.06576	7.6
97.10183	7.8
98.21541	11.6
105.07014	39.0
107.08582	27.2
109.10150	24.7
111.11686	6.7
117.07016	8.7
117.17366	6.2
119.08551	24.4
121.10149	23.1
121.61165	5.4
123.11707	13.2
131.08585	23.1
133.10143	26.1
135.11656	16.6
143.08524	9.9
144.09283	8.6
145.10115	33.0
147.11661	22.3
157.10150	13.6
159.11720	82.4
161.13243	29.7
163.14728	6.7
173.13278	27.3
177.12752	20.2
185.13318	14.2
187.14778	9.5
199.14828	19.3
213.16373	22.3
215.17857	11.0
255.21065	22.0
300.12067	7.0
395.36722	88.5
413.32419	19.1
413.37732	100.0
431.82703	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.96572	1.1
57.03444	0.6
67.05514	1.2
69.03437	0.9
69.07086	0.6
71.04998	2.9
71.54781	0.7
73.46367	0.5
79.05496	1.3
81.03429	0.9
81.07068	1.8
83.04998	0.7
83.08613	0.6
85.02921	1.5
85.06575	0.7
91.05483	2.1
93.07046	2.3
95.04964	1.2
95.08607	1.3
97.02907	0.9
97.06558	1.0
98.97595	5.9
103.05469	0.9
105.07023	2.8
107.04981	1.3
107.08619	2.2
109.06548	0.7
109.10195	1.2
115.05523	0.6
116.98642	1.5
117.07027	1.0
119.04977	1.7
119.08579	1.7
121.04543	0.5
121.06561	0.9
121.10172	1.8
127.04004	0.6
131.04944	3.3
131.08591	1.2
133.10168	1.5
135.04488	0.9
135.11780	0.7
136.49275	0.5
137.06044	1.3
143.08545	0.6
145.10153	2.1
147.04424	6.3
147.08081	0.5
147.11699	1.1
158.99667	1.6
159.11778	1.1
161.09695	0.7
163.11179	0.8
177.00792	1.0
187.07448	0.6
187.11278	1.2
189.09074	0.6
191.10704	0.6
191.14369	2.5
205.12311	0.9
215.14439	0.8
219.01872	0.8
219.09679	1.0
228.10175	0.6
233.11700	0.8
233.15488	0.9
251.12749	0.7
251.16315	0.9
273.18646	0.7
289.11096	1.5
354.22998	0.6
367.14331	1.0
383.20441	28.5
413.21542	100.0
414.22000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1784
Annotation	Fluocinolone
Peak:m/z	Relative Intensity
57.03415	0.4
59.61369	0.3
70.56530	0.9
76.13593	0.3
79.05487	0.8
81.03429	0.5
81.07065	3.4
85.02898	0.6
91.05480	0.6
105.07012	0.4
119.08578	0.4
121.40568	0.3
127.03918	0.4
135.04494	0.4
137.09615	0.4
145.10162	0.4
147.04417	0.3
147.11629	0.4
161.05858	0.4
165.09128	0.6
177.05478	0.8
233.15395	0.7
251.12805	0.6
251.16394	2.4
351.14362	0.9
392.33875	0.3
413.17810	100.0
414.18219	1.9
416.87515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41364	1.9
52.96047	1.9
53.03950	3.4
54.39085	1.9
55.01877	2.7
55.05512	3.5
56.96561	5.3
57.03431	5.4
60.11980	1.9
61.02926	3.8
65.03889	2.2
67.05501	7.5
69.03432	22.7
71.04984	8.3
71.56975	3.9
73.02918	6.1
79.05504	10.7
81.03426	12.5
81.07041	10.7
83.04962	5.2
84.33577	2.3
85.02908	28.4
91.05477	22.9
93.07048	27.9
95.04957	5.0
95.08595	6.9
97.02899	10.8
97.06528	5.8
98.97580	10.7
99.04477	20.8
103.05490	4.0
103.56149	2.0
105.07040	100.0
107.04976	5.0
107.08613	10.6
109.02908	12.2
109.06518	5.9
109.10138	6.3
113.06022	2.5
117.07046	7.3
119.04916	6.6
119.08582	18.8
121.02851	3.1
121.06502	7.1
121.10139	20.8
121.77222	2.3
125.05991	4.3
127.03931	20.4
128.06204	4.9
129.07033	4.1
131.04959	8.0
131.08578	10.6
133.06548	13.3
133.09117	3.4
133.10133	69.2
133.91612	2.3
135.04445	3.1
135.08038	3.5
135.11678	5.9
137.05949	6.1
139.03870	3.1
142.07692	4.4
143.07056	3.8
143.08549	11.9
145.04950	3.3
145.06482	4.0
145.10133	12.8
146.07199	3.1
147.04433	9.6
147.08063	7.6
147.11684	4.0
149.02264	3.0
149.05981	2.6
149.09636	8.4
151.07547	4.9
155.08533	3.1
157.10173	5.8
158.07228	2.2
158.99648	4.4
159.08052	6.9
159.11737	6.1
161.05974	2.6
161.09631	81.7
161.10954	4.3
163.11180	21.9
169.10136	4.3
171.08104	6.7
173.09612	12.1
174.06848	2.3
175.11186	5.3
177.09108	2.7
179.10695	9.1
185.09578	4.2
187.07549	2.9
187.11203	7.5
189.09143	30.7
189.12663	2.9
191.10677	4.4
197.13300	2.4
201.09094	3.6
203.10739	5.9
205.12263	4.0
207.10150	8.3
215.10736	9.3
223.13266	10.2
228.10551	2.5
231.10226	6.8
233.11713	8.0
235.07288	3.4
237.02908	4.3
241.12224	3.6
245.11830	3.6
251.12889	11.2
251.16368	3.9
257.11844	2.4
269.11780	4.0
273.11166	3.8
278.10907	2.1
287.13028	2.5
305.13998	6.8
308.59833	2.8
315.12250	3.0
323.14874	23.8
333.13336	4.9
351.14444	27.9
385.18445	7.3
395.17142	2.9
413.12076	4.9
413.17236	9.8
413.21707	36.2
436.93991	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	413.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
68.99786	0.3
69.03429	0.4
69.07082	0.2
70.86642	0.3
70.86994	0.4
96.68375	0.2
97.02875	0.4
99.04401	0.4
111.00781	0.2
115.03856	0.2
121.02872	1.0
121.03632	0.2
121.06487	0.2
125.02345	0.2
127.03918	0.4
135.05556	0.2
147.04413	0.3
149.05986	0.4
153.01851	4.4
158.56700	0.2
163.03900	0.8
177.05487	3.9
192.04184	4.0
200.08351	0.2
203.05293	0.2
205.04968	18.7
233.04491	0.4
251.05519	100.0
252.05829	1.2
313.23950	0.2
321.61554	0.2
413.08710	1.0
413.16873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1209
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
53.03929	0.5
60.05307	0.4
67.05493	0.6
69.03419	2.0
69.20365	4.8
79.05524	0.4
81.03423	0.8
81.07047	1.3
105.03397	17.9
107.04920	0.5
109.02916	0.5
127.03903	1.1
131.04993	0.4
147.04216	2.3
167.03186	1.5
169.04752	0.4
271.05914	0.8
289.06842	40.3
290.07239	0.9
395.11038	0.9
413.12094	100.0
414.12592	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18814	0.9
56.96577	1.0
57.97580	0.7
59.08361	0.7
59.56330	0.7
62.23413	0.8
63.80886	0.7
64.96501	0.7
69.03432	1.7
70.99150	0.8
71.53616	1.1
73.02946	0.8
73.87180	0.7
81.03447	0.8
84.63812	0.7
85.02907	3.3
96.60802	0.8
97.02887	1.8
98.97581	2.0
107.04990	1.3
111.08048	0.8
113.02129	1.3
116.98636	0.9
122.07168	0.8
123.08002	1.3
135.04663	0.9
136.06209	2.8
137.06004	1.1
162.04144	1.3
163.03917	0.9
174.35695	0.7
176.04414	1.3
185.04240	2.5
197.01242	1.5
219.01822	0.9
251.05463	1.0
252.12279	5.3
281.10202	1.3
383.03873	1.1
413.14221	100.0
414.14703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57239	0.3
51.81688	0.3
55.01859	0.4
55.05500	0.7
56.96560	0.9
61.84560	0.3
67.05490	0.7
69.03426	1.0
69.07066	0.8
70.64720	0.4
71.24954	0.6
79.05479	1.1
81.03410	0.9
81.07076	2.1
83.04967	0.8
83.08598	0.5
85.02920	0.6
91.05479	1.3
93.07033	1.5
95.04968	0.5
95.08597	1.5
97.02921	0.4
97.06513	0.5
97.10185	0.7
105.03375	0.5
105.07026	0.9
107.04951	0.4
107.08578	1.2
109.02847	0.5
109.10182	0.7
117.07047	0.4
119.08562	0.4
121.10149	0.7
131.08615	0.4
133.10101	0.4
137.05986	0.5
145.10126	0.9
151.07603	0.5
159.11668	0.6
176.04472	0.6
183.11617	0.6
189.05376	0.6
189.12808	0.4
198.14331	0.4
201.05289	4.0
216.07587	33.1
217.08414	1.8
229.08292	0.5
242.96521	0.4
257.10260	0.7
269.92139	0.4
365.13535	0.6
413.15735	100.0
413.28326	2.3
414.16113	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1994
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
55.05508	1.1
56.96568	0.6
57.03442	0.8
59.64487	0.5
69.03438	1.6
69.07067	0.7
70.67001	1.2
71.04990	0.5
72.68690	0.5
79.05500	1.6
81.03430	1.5
81.07067	1.2
82.78554	0.5
83.04984	1.0
84.96043	0.5
85.02906	3.3
86.33499	0.5
87.04497	0.6
91.05476	1.5
93.07053	2.0
95.04984	0.6
95.08618	1.0
97.02905	1.8
98.97590	1.1
105.07034	1.7
107.04977	3.3
107.08597	1.5
109.02875	1.0
109.06524	0.5
109.10159	0.9
119.04907	0.6
119.08595	1.4
121.10134	1.3
122.06421	0.5
124.41464	0.6
127.03912	1.5
129.07121	0.5
131.04919	0.7
131.08568	0.6
133.10175	0.8
135.04335	0.6
135.08055	0.7
135.11723	0.5
139.03859	0.5
145.04944	0.7
145.10107	0.8
147.04419	1.8
151.03914	1.8
153.01938	0.9
155.08548	0.6
157.10135	0.6
158.99654	0.5
161.09657	0.9
163.03896	0.7
165.12761	0.6
167.14450	0.5
177.00682	0.5
179.03389	1.2
185.09482	0.5
195.13759	0.5
203.05295	3.5
231.13748	1.3
231.17419	3.7
232.13409	0.9
236.09888	0.7
249.11082	1.3
249.14709	1.5
249.18611	0.7
287.41840	0.5
381.18817	1.8
411.19934	100.0
412.20236	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2721
Annotation	Asbestinin-25
Peak:m/z	Relative Intensity
55.05506	1.5
56.96563	1.7
59.60412	0.8
67.05509	2.8
69.07075	1.3
69.72991	5.5
72.90857	0.9
79.05473	1.5
81.07065	3.4
82.89285	0.9
83.08614	1.2
85.02910	1.7
91.05503	2.1
93.07045	2.9
95.08595	2.4
98.97585	1.7
105.07035	1.9
107.04993	2.5
107.08596	2.5
109.02901	1.1
109.10166	2.0
110.97670	1.2
115.24918	1.0
119.08610	2.4
121.10170	2.1
133.10114	1.2
139.03906	1.2
147.11641	1.0
159.11676	1.4
411.27258	100.0
412.27713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29998	0.3
70.77966	0.9
71.11617	0.3
103.55828	0.3
244.75922	0.3
249.11006	0.8
267.10712	0.9
411.16266	100.0
412.16489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33207	0.5
61.52089	0.5
63.95285	0.5
64.34324	0.5
65.16440	0.5
69.03386	0.5
71.56699	0.8
81.03392	0.6
81.07038	0.6
85.02869	0.7
85.06528	0.5
91.05434	0.9
95.08596	0.9
98.97523	0.6
107.04925	1.1
119.08513	0.5
124.07600	0.5
127.03860	0.5
131.08585	0.7
137.05919	1.9
138.06328	0.7
147.04434	1.1
191.10393	0.5
201.03705	7.9
203.05280	36.9
217.07072	0.6
222.79227	0.5
231.09999	6.3
233.11438	2.9
248.12671	1.8
249.07449	0.9
249.09708	1.0
249.13211	3.4
267.10739	0.8
283.08313	0.5
291.10648	1.3
297.14069	0.6
309.12012	2.5
309.14725	0.6
411.15903	100.0
412.16129	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36429	0.6
51.42444	0.7
53.84748	0.6
69.03444	1.6
69.55841	4.7
71.37807	0.6
73.09004	0.7
81.03435	1.2
81.07053	0.6
85.02901	1.8
91.05515	0.9
92.40358	0.7
98.97601	1.9
107.08579	0.6
108.66000	0.7
109.02875	0.9
121.06561	0.7
127.03951	0.8
130.61586	0.7
152.05984	0.8
158.99586	0.7
176.17648	0.6
203.05281	32.5
231.09995	7.0
231.13611	2.0
232.07150	0.8
249.03822	2.4
249.11067	0.9
267.10837	1.4
273.52945	0.7
291.10751	1.3
297.09183	0.7
309.11923	2.0
309.80997	0.6
322.94290	0.7
353.15738	13.2
384.62665	0.7
393.12930	1.9
411.12180	5.9
411.16135	88.6
411.20044	100.0
412.16336	2.1
412.20474	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Flumethasone
Peak:m/z	Relative Intensity
59.89678	0.2
60.23501	0.3
68.37685	0.2
69.58063	1.4
74.80240	0.2
85.02917	0.3
98.20756	0.3
203.05344	0.3
285.18488	0.2
411.19925	100.0
412.20203	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Flumethasone
Peak:m/z	Relative Intensity
69.39962	2.4
69.40388	1.4
81.69884	0.4
85.02914	0.9
88.40488	0.4
97.82422	0.4
108.20735	0.5
112.89059	0.4
121.10216	0.4
128.95032	0.4
147.04376	0.6
249.14665	1.8
367.16977	2.2
381.19000	0.8
393.18732	0.6
411.19925	100.0
412.20081	2.3
426.66467	0.4
432.74484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39962	2.4
69.40388	1.4
81.69884	0.4
85.02914	0.9
88.40488	0.4
97.82422	0.4
108.20735	0.5
112.89059	0.4
121.10216	0.4
128.95032	0.4
147.04376	0.6
249.14665	1.8
367.16977	2.2
381.19000	0.8
393.18732	0.6
411.19925	100.0
412.20081	2.3
426.66467	0.4
432.74484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52411	0.3
51.11216	0.3
55.05502	0.4
57.53514	0.3
69.68240	0.6
69.68648	1.5
85.02914	0.7
93.07041	0.3
97.02934	0.4
100.44783	0.3
107.04956	0.6
109.02855	0.4
110.82753	0.3
114.17691	0.4
121.10203	0.4
136.65984	0.3
147.04362	0.4
151.03854	0.4
155.30675	0.3
159.08142	0.5
162.05606	0.4
163.05898	0.4
185.74554	0.3
217.07225	0.5
218.52699	0.4
246.19913	0.4
249.14883	0.9
411.19907	100.0
412.20300	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05516	0.9
56.96570	0.5
67.05496	1.2
67.65607	0.4
69.03426	2.1
69.07058	0.7
70.68727	1.2
70.69055	0.4
71.04971	0.8
77.87138	0.5
79.05489	1.7
79.22815	0.5
81.03410	1.9
81.07051	1.8
83.05009	0.8
83.08605	0.9
85.02904	4.3
87.04469	0.7
91.05478	1.9
93.07053	1.8
95.04990	1.3
95.08622	0.8
97.02901	1.6
97.06549	0.5
98.21504	0.6
98.97601	1.5
99.04460	0.5
103.05480	0.6
103.83234	0.6
105.07034	1.3
107.04970	4.0
107.08580	1.5
109.02869	1.3
109.10149	0.7
111.08086	0.5
117.07015	0.7
119.04947	0.5
119.08577	1.3
121.10150	1.9
123.04407	0.9
127.03919	2.0
131.04884	1.1
131.08591	0.5
133.06500	0.7
133.10126	1.3
135.08128	0.5
135.11679	0.7
137.05989	0.9
139.03903	1.0
143.08537	0.6
143.31715	0.5
145.05022	0.8
145.06453	0.6
145.10086	0.7
147.04428	2.2
147.11713	0.5
149.09674	0.6
151.03885	0.9
151.07587	0.5
153.01825	0.5
157.10187	0.7
161.09586	1.4
165.05489	0.6
167.14230	0.4
173.13290	0.5
175.11229	0.9
179.03412	1.5
201.09108	1.0
203.05305	3.2
231.13701	1.2
231.17441	5.4
232.13377	1.5
249.11052	1.8
249.14737	1.0
249.18526	1.0
291.08957	0.6
381.18845	0.9
411.19919	100.0
412.20239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.3
55.05507	7.3
56.05187	4.4
56.96560	14.9
57.07083	5.5
67.05503	7.9
69.03433	12.9
69.07072	6.9
69.32304	42.8
70.06590	11.6
78.54907	4.8
79.05470	13.8
81.03432	12.4
81.07050	15.1
85.02898	15.0
85.10887	4.2
85.14851	4.5
88.07616	9.2
91.05482	12.9
93.07046	14.4
95.04937	7.6
95.08601	14.3
97.06546	4.6
97.10160	4.6
98.20842	11.5
98.97578	33.7
99.04379	4.8
102.09193	8.0
105.03400	6.1
105.07035	13.7
107.04955	18.4
107.08587	9.4
109.10117	8.6
112.50881	5.3
116.98660	5.3
119.08600	8.8
121.06514	5.6
121.10167	12.0
125.09657	6.1
127.03896	6.4
128.98604	14.1
131.08537	13.1
133.10130	12.6
135.11699	5.1
137.05983	9.5
137.09583	7.5
143.08566	9.3
144.02110	13.7
145.10173	10.4
147.04442	7.6
147.08055	5.9
147.11728	6.8
149.02386	22.3
150.02692	10.8
151.03963	6.5
151.07559	7.8
159.11676	6.6
161.09682	6.1
161.13298	5.7
163.11237	8.7
193.04907	13.9
193.12282	43.8
194.05324	14.3
200.20099	10.3
201.20474	16.7
219.01765	12.8
229.14383	4.4
231.17331	7.6
237.02768	14.4
237.07637	21.9
238.07970	23.2
249.18494	6.9
267.08801	6.3
285.10306	5.6
309.09973	7.4
351.11551	5.5
391.93277	5.4
411.14008	100.0
411.19434	18.2
411.25278	60.5
428.28815	5.5
429.14240	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.05537	5.2
56.96580	6.2
58.44377	4.8
69.03418	5.0
69.33782	4.6
69.73421	23.6
75.55289	5.1
81.07030	5.6
84.67220	5.0
84.95446	4.7
84.96020	10.9
85.02892	13.7
85.06509	4.6
90.75147	6.7
97.02912	9.2
98.21416	8.2
98.97584	62.5
99.38878	5.4
105.07014	14.0
106.60413	4.4
110.97558	34.1
116.98608	14.5
128.98651	25.5
133.06482	19.4
138.05539	5.2
140.00891	4.3
142.04608	5.1
146.99666	9.8
161.06003	17.2
193.08641	14.7
201.00896	7.9
219.01758	45.2
237.02840	66.9
361.66949	5.4
411.10535	84.5
411.20108	100.0
429.10580	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	411.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
56.96564	1.4
57.03421	1.0
61.02918	0.9
69.03429	7.9
70.06578	0.8
71.04993	1.3
71.13281	1.5
73.02910	2.4
79.05502	0.9
81.03408	1.7
81.07045	2.8
83.04974	0.7
85.02908	10.5
87.04456	1.7
89.06000	0.7
91.05463	1.5
93.07045	0.8
95.04980	0.7
97.02885	3.6
98.97555	3.7
99.04428	1.8
99.08048	1.5
101.27473	0.9
105.03370	1.4
105.07030	1.0
105.57324	0.6
107.04958	1.3
107.64394	0.6
109.02874	1.1
110.97546	0.9
115.03883	1.6
117.05502	0.9
119.04959	1.0
123.04421	1.2
127.03946	4.6
133.02847	1.2
133.05048	0.8
133.06519	1.1
134.99672	0.7
135.04416	0.8
137.05939	1.7
145.04999	3.6
147.04375	1.1
161.06000	1.8
163.03893	2.6
163.05981	0.8
165.05484	1.7
171.66417	0.6
185.04236	2.5
189.10614	0.7
195.10095	1.1
201.05836	1.0
219.01753	1.3
237.02771	1.6
249.07358	29.0
259.06006	0.8
381.11630	3.9
393.12952	0.8
411.12595	100.0
412.12866	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.0
57.07076	6.1
59.05004	18.8
61.02917	1.2
66.34392	0.6
67.05488	0.7
69.03398	0.9
69.07070	3.3
71.04996	6.6
71.08187	1.4
71.08623	5.5
73.06556	5.7
78.80782	0.5
81.03455	1.1
81.07053	0.8
83.04967	1.1
83.08607	2.6
84.04521	0.8
85.02910	4.8
85.06557	1.3
87.08094	0.7
88.07632	0.6
89.06033	4.2
95.08592	0.6
97.02905	1.5
97.10172	41.2
101.06020	3.7
105.03381	1.3
105.07027	0.8
107.04926	0.7
115.11211	3.1
125.09624	1.2
127.03951	0.8
134.18071	0.6
143.10677	100.0
144.11005	1.0
185.15373	1.6
188.80165	0.6
213.14856	30.9
231.15910	14.0
410.24966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.05537	5.2
56.96580	6.2
58.44377	4.8
69.03418	5.0
69.33782	4.6
69.73421	23.6
75.55289	5.1
81.07030	5.6
84.67220	5.0
84.95446	4.7
84.96020	10.9
85.02892	13.7
85.06509	4.6
90.75147	6.7
97.02912	9.2
98.21416	8.2
98.97584	62.5
99.38878	5.4
105.07014	14.0
106.60413	4.4
110.97558	34.1
116.98608	14.5
128.98651	25.5
133.06482	19.4
138.05539	5.2
140.00891	4.3
142.04608	5.1
146.99666	9.8
161.06003	17.2
193.08641	14.7
201.00896	7.9
219.01758	45.2
237.02840	66.9
361.66949	5.4
411.10535	84.5
411.20108	100.0
429.10580	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
53.57615	2.0
55.05515	16.7
57.07065	5.8
59.04984	3.2
67.05508	24.3
69.03413	7.3
69.07061	10.1
69.24509	1.7
69.48539	1.4
70.12325	5.8
71.04980	3.6
79.05071	2.3
79.05492	24.3
81.03442	1.9
81.07061	40.8
83.04964	5.9
83.08618	3.5
85.06486	2.1
91.05480	40.2
93.07043	54.6
93.07632	2.7
95.04375	3.1
95.04971	51.1
95.08611	37.1
97.06536	13.6
97.49039	1.7
98.20840	2.2
103.05472	2.0
105.04511	1.6
105.07035	100.0
107.04967	2.3
107.08592	28.3
109.06532	12.2
109.10156	24.0
115.05436	2.6
117.07027	18.2
118.77653	1.5
119.04996	1.9
119.08581	64.1
121.06499	18.5
121.10146	18.8
123.08081	19.7
123.11656	2.3
128.06213	6.3
129.06996	8.8
130.07758	6.3
131.08577	25.9
132.09312	2.0
133.06454	5.5
133.10135	25.2
135.08064	17.3
135.11650	5.7
137.09579	9.1
139.11099	2.4
141.07004	4.4
142.07814	15.1
143.08553	19.5
144.09354	3.3
145.06396	2.9
145.10124	47.6
146.10875	2.1
147.08064	19.8
147.11685	33.5
148.08817	2.3
149.09605	9.9
149.13307	1.9
151.07547	22.6
151.11118	2.5
153.07054	2.5
153.09160	2.8
154.07758	3.1
155.08568	9.1
156.09331	8.5
157.10135	24.0
158.07292	2.4
158.10916	2.0
159.08041	6.5
159.11699	19.7
160.08807	2.6
161.09610	10.0
161.13258	6.0
163.11128	5.8
165.06999	2.1
165.09117	27.7
167.08508	4.6
168.09328	4.9
169.10130	14.4
170.10979	2.5
171.11676	12.6
173.09598	6.5
173.13336	8.3
174.10399	2.4
175.11172	22.7
175.14772	3.2
177.09137	4.8
178.09903	2.1
181.10149	4.9
181.12198	4.2
182.10907	5.4
183.11685	12.9
185.09648	2.8
185.13260	7.5
187.11147	6.5
187.14790	3.6
189.12698	10.4
189.16182	1.9
191.14328	2.3
193.10155	3.5
195.11736	4.5
196.12468	4.1
197.13249	6.0
199.11157	2.2
200.12085	1.7
201.12769	9.8
201.16414	2.7
203.14331	11.3
206.10829	1.8
207.11809	3.2
207.13794	9.0
208.12364	1.7
209.13208	5.8
209.15320	4.2
210.61003	1.6
211.11154	2.3
211.14862	7.6
213.12828	2.6
215.14435	2.2
219.11670	1.7
219.13681	2.6
221.15364	68.0
223.14818	4.2
225.16455	2.4
227.14288	2.5
229.15814	5.4
231.13780	3.6
233.13271	2.2
233.15359	4.0
234.16075	11.9
235.14832	2.6
239.14383	4.0
239.18007	2.0
241.15970	3.5
253.15800	4.0
257.04553	2.6
275.18140	2.0
283.20847	1.7
286.19214	5.8
287.20050	8.9
299.20050	3.7
300.20715	4.5
317.21194	2.4
327.23322	2.5
329.21149	7.5
391.26151	9.0
409.27353	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2951
Annotation	3alpha,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic acid
Peak:m/z	Relative Intensity
53.03925	0.9
55.01865	1.3
55.05269	0.9
55.05515	13.6
57.03426	0.7
57.07080	12.4
57.92185	0.5
65.28221	0.7
67.01860	1.2
67.05504	8.6
68.99777	1.6
69.03419	1.4
69.07072	19.0
70.70794	1.7
71.04985	1.5
71.08635	8.4
73.06559	0.6
79.05498	5.4
80.46445	0.6
81.03405	1.4
81.07063	12.6
83.04972	1.7
83.08624	12.3
85.06538	1.0
85.10188	6.4
91.05483	1.7
93.07050	7.4
95.04984	0.8
95.08614	11.8
97.06526	4.9
97.10177	8.6
99.04470	0.7
101.06055	1.1
105.06954	0.8
107.08611	6.0
109.02885	1.2
109.06529	0.5
109.10171	5.7
110.25449	0.5
111.00794	1.2
111.04482	1.0
111.08086	3.3
111.11723	4.0
115.07587	1.7
119.04959	1.4
121.10159	6.7
123.04450	4.2
123.11707	2.0
125.09652	4.1
125.13307	0.9
127.03923	100.0
129.09132	2.2
135.11693	7.0
137.05966	3.9
137.13263	1.2
139.03906	23.2
139.11177	5.1
143.10690	1.1
147.04398	0.6
149.13298	4.5
153.01837	74.9
153.05440	1.9
153.12785	4.7
155.03400	7.2
157.12215	0.8
163.03915	1.1
163.14810	4.5
165.05492	5.8
165.16325	0.6
167.14336	2.8
171.13745	1.1
177.16409	3.6
181.04953	2.8
181.15903	2.6
185.15414	1.4
191.07043	1.1
191.17993	1.8
195.06631	0.8
195.17474	2.0
199.16985	0.6
205.19473	0.9
209.19069	1.4
213.18506	0.8
247.24234	9.3
265.25284	7.9
283.26416	1.3
288.60776	0.6
373.27884	0.9
375.06036	0.6
391.28415	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	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06217	1.2
55.05516	2.4
56.96564	6.1
67.05502	5.8
69.03448	1.3
69.07063	3.6
70.42012	2.3
70.42397	3.1
79.05480	3.3
81.07057	5.2
85.02922	1.8
90.61881	1.3
91.05458	1.4
92.55747	1.3
93.07060	3.6
95.08601	3.6
102.91512	1.6
105.07011	2.0
107.08578	2.8
109.10178	2.3
121.10119	1.7
145.10120	1.8
153.01886	2.6
157.43550	1.3
213.07994	1.8
229.07451	2.4
229.15903	2.5
231.08907	2.0
243.08998	2.8
247.08481	1.9
252.95299	1.6
297.13828	2.0
331.15808	3.7
349.16830	10.0
367.14243	4.7
367.18265	6.7
391.24808	1.6
409.25629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2565
Annotation	Sarcrassin C
Peak:m/z	Relative Intensity
52.06217	1.2
55.05516	2.4
56.96564	6.1
67.05502	5.8
69.03448	1.3
69.07063	3.6
70.42012	2.3
70.42397	3.1
79.05480	3.3
81.07057	5.2
85.02922	1.8
90.61881	1.3
91.05458	1.4
92.55747	1.3
93.07060	3.6
95.08601	3.6
102.91512	1.6
105.07011	2.0
107.08578	2.8
109.10178	2.3
121.10119	1.7
145.10120	1.8
153.01886	2.6
157.43550	1.3
213.07994	1.8
229.07451	2.4
229.15903	2.5
231.08907	2.0
243.08998	2.8
247.08481	1.9
252.95299	1.6
297.13828	2.0
331.15808	3.7
349.16830	10.0
367.14243	4.7
367.18265	6.7
391.24808	1.6
409.25629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.0
52.65370	2.0
53.03953	4.3
55.01886	2.3
55.05316	1.9
55.05514	21.1
57.07066	6.6
57.67114	1.8
65.03926	3.1
67.05506	25.6
67.38858	1.9
69.03425	7.3
69.07069	10.0
71.04987	2.8
77.03960	2.2
79.05489	19.8
81.07056	32.8
83.04974	6.4
83.08586	2.4
85.06572	2.9
91.05486	36.2
93.06578	1.4
93.07043	54.0
95.04965	50.6
95.08606	28.7
97.06525	7.8
105.07031	100.0
107.05009	2.7
107.08597	27.3
109.06527	13.8
109.10159	8.8
111.08027	2.3
117.07029	13.4
119.08582	61.3
121.06491	18.4
121.10136	16.0
123.08058	15.8
123.11654	2.5
128.06213	6.1
129.07002	7.2
129.07890	2.4
130.07761	4.6
131.08565	24.2
132.09308	2.3
133.06505	3.8
133.10120	21.8
135.08072	11.7
135.11678	6.5
137.05995	3.4
137.09601	8.8
141.07008	3.9
142.07755	11.7
143.08571	14.3
144.09367	4.0
145.10121	36.4
147.08047	18.2
147.11685	42.7
149.09616	9.5
151.07539	16.8
153.09148	2.9
154.07806	2.1
155.08595	6.8
156.09398	4.8
157.10126	22.0
159.08057	4.6
159.11710	15.2
161.09622	7.2
161.13252	5.8
163.11200	6.0
165.09093	27.7
167.08530	2.7
168.09335	3.9
169.10132	12.1
170.10867	1.9
171.08057	2.1
171.11755	9.4
173.09651	3.9
173.13298	7.2
175.11188	35.4
175.14818	3.4
177.09138	3.2
178.09950	2.9
181.10071	4.6
183.11650	11.1
185.13232	6.2
187.11176	7.4
187.14758	4.9
189.12772	6.5
191.14386	1.8
192.27710	1.8
193.10277	2.0
195.11717	2.8
197.13306	4.3
199.11093	2.1
199.14763	2.7
201.12784	7.1
203.14374	13.3
207.11829	3.4
207.13840	6.6
209.13277	5.4
209.15361	2.2
211.14879	5.4
213.12773	2.6
219.13808	4.5
221.13448	3.0
221.15355	69.9
227.14139	2.5
229.15755	4.7
231.13745	3.1
233.15437	2.6
234.16112	21.2
234.47687	2.2
237.16600	2.0
239.14220	2.0
239.17973	2.2
247.14677	2.6
251.17838	3.1
267.17557	2.4
283.20367	2.1
286.19254	3.6
287.20081	8.6
300.20743	4.2
317.25067	2.1
329.21082	6.1
391.26147	5.4
409.27325	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03934	5.5
55.01850	2.3
55.05518	20.1
56.85494	1.9
57.07067	5.7
59.05002	3.7
65.03934	2.6
67.05511	20.9
69.03424	7.7
69.07068	8.7
71.04996	2.0
71.57099	2.7
71.57536	2.9
79.05501	25.1
81.07066	34.8
83.04951	4.7
83.08614	2.7
85.06554	2.2
91.05489	34.6
93.07052	44.4
95.04377	2.7
95.04979	52.8
95.08053	2.5
95.08609	27.6
95.23151	1.6
97.06519	7.1
100.30084	1.6
101.65060	1.4
103.05490	1.9
105.04515	1.7
105.07037	100.0
107.08598	27.7
109.06529	11.5
109.10146	10.0
111.08084	3.4
115.05459	2.7
117.07028	12.7
119.04930	2.9
119.08591	63.2
120.09316	1.7
121.06494	16.1
121.10164	17.3
123.08073	16.7
123.11686	2.6
128.06219	5.4
129.07013	8.8
130.07771	4.6
131.08585	24.3
132.09352	2.0
133.06468	5.3
133.10147	19.0
135.08057	10.8
135.11685	6.1
137.06015	1.9
137.09625	8.7
141.06990	4.8
142.07819	9.4
143.08604	14.7
144.09383	2.5
145.06456	3.3
145.09065	2.1
145.10147	33.8
147.08052	12.7
147.11690	40.2
149.09599	12.9
151.07556	14.1
151.17999	1.7
153.09180	3.4
155.08546	6.7
156.09383	4.4
157.10149	20.5
159.08112	3.8
159.11708	12.1
161.09630	6.0
161.13235	3.2
163.11153	5.5
165.07028	3.1
165.09131	25.6
167.08612	2.7
168.09366	2.4
169.10144	8.4
170.10864	2.4
171.11700	9.7
173.09610	5.0
173.13307	8.4
175.11208	30.9
175.14763	3.0
177.09091	4.0
178.09908	2.2
179.08487	2.1
181.10132	5.9
182.10918	2.7
183.11736	11.0
185.09706	2.6
185.13252	3.7
187.11197	4.4
187.14906	3.8
189.12698	5.3
191.14287	4.0
193.10121	3.6
195.11646	2.9
196.12505	1.9
197.13231	5.5
199.11205	2.7
199.14658	2.5
201.12823	7.9
203.14322	15.0
207.11876	3.0
207.13834	7.3
209.13261	4.6
209.15186	1.9
211.14830	4.0
213.12663	2.9
215.14331	1.8
216.14909	1.6
219.13770	5.8
221.15370	66.5
223.14838	2.3
229.15874	3.6
231.13741	2.3
233.15450	3.6
234.14113	2.5
234.16174	20.8
235.14743	1.7
249.16176	1.9
253.15860	2.4
281.19052	1.7
286.19299	2.2
287.20010	7.3
300.20755	4.5
329.21033	4.6
373.25342	1.7
391.26300	5.5
392.31277	3.5
409.10828	2.0
409.27365	44.7
409.33682	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17625	0.3
59.06046	0.3
63.60553	0.3
64.60508	0.3
67.05516	0.3
77.82449	0.3
90.83504	0.3
98.21628	0.5
98.97594	0.4
135.11729	0.5
191.68640	0.2
211.16934	0.5
212.17282	1.5
247.13005	2.3
385.52490	0.3
406.07159	0.3
409.18350	100.0
410.18671	1.4
420.20279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17625	0.3
59.06046	0.3
63.60553	0.3
64.60508	0.3
67.05516	0.3
77.82449	0.3
90.83504	0.3
98.21628	0.5
98.97594	0.4
135.11729	0.5
191.68640	0.2
211.16934	0.5
212.17282	1.5
247.13005	2.3
385.52490	0.3
406.07159	0.3
409.18350	100.0
410.18671	1.4
420.20279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.97454	0.6
59.15998	0.5
64.00779	0.5
67.05509	1.9
69.03428	0.9
70.79655	0.6
70.80027	1.5
71.05000	1.2
71.64360	0.5
74.28836	0.5
79.05511	0.8
81.07065	1.4
83.05003	0.6
85.02949	0.6
91.05483	1.5
93.07048	0.9
95.04960	0.8
95.08614	1.0
97.02914	0.7
103.07568	0.7
105.07091	0.9
107.08612	1.3
109.10194	0.6
119.04978	2.2
119.08624	0.8
121.10175	0.7
123.04522	0.7
123.08029	0.6
125.02358	0.5
127.03933	0.9
127.11236	2.6
135.11736	0.9
147.04410	6.2
153.01843	0.8
185.04303	0.8
191.08183	0.8
201.08881	10.9
203.05397	0.9
246.12459	1.3
247.13284	2.2
257.04504	3.7
288.13123	0.6
326.55188	0.6
351.10962	0.6
409.18521	100.0
410.18866	2.2
415.13721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.1
56.96571	39.7
63.34347	2.9
67.05509	14.5
69.07066	4.1
71.04984	3.1
71.38704	4.8
71.95258	6.4
79.05486	11.9
81.07047	8.5
84.58942	3.1
91.05503	5.1
93.07040	10.8
95.08601	8.6
105.07030	4.9
107.08575	6.0
109.10158	9.6
110.97558	4.9
116.54034	3.1
119.08544	4.5
121.10081	3.3
128.98627	3.2
147.11610	3.5
153.01791	4.0
153.59412	3.2
171.03229	4.4
181.05423	5.0
195.06981	5.6
199.06451	17.3
201.07968	5.6
211.06528	13.9
213.07999	37.5
217.07475	10.4
217.33559	3.9
225.07887	4.8
229.07481	75.1
231.09068	38.5
236.09546	3.8
243.09111	23.6
247.08574	36.1
252.09088	5.5
257.04587	4.4
261.10162	10.9
266.10718	4.9
331.15872	14.6
349.16876	100.0
354.41431	3.3
367.18033	40.8
390.19785	17.5
409.25845	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.6
56.96556	2.2
61.02930	1.0
65.57525	0.6
67.05496	0.7
69.03429	2.9
71.04993	1.3
71.07413	1.3
79.05499	0.9
81.03424	1.3
81.93084	0.7
84.96054	0.7
85.02918	5.7
85.33295	0.6
87.04466	1.2
91.05476	1.3
97.02904	2.4
98.97585	3.5
103.05447	0.8
105.07019	3.1
106.91490	0.6
107.04897	0.9
107.08605	1.0
109.02905	1.3
110.97558	0.8
111.04368	0.7
115.05477	0.6
116.98620	1.0
119.08568	0.9
121.02875	1.0
127.03919	1.4
133.06499	1.6
133.10146	0.7
135.04335	0.7
141.02249	0.8
143.01924	0.8
145.01820	0.7
145.04895	1.4
147.03329	0.9
147.04440	1.2
151.03824	0.7
158.99670	1.7
161.06013	3.8
163.03923	2.5
177.00722	0.9
182.13879	0.6
193.08632	2.9
203.03381	1.3
203.05275	26.8
205.07645	0.8
214.69771	0.6
219.01770	0.8
223.06667	0.6
223.08936	1.5
229.08395	2.1
237.02840	0.7
245.10379	0.9
247.09583	1.3
259.06003	1.2
263.11362	0.8
265.11249	1.2
307.12125	1.7
349.11783	1.6
409.14777	100.0
410.15250	1.2
427.16626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01861	0.9
55.05519	1.0
56.96571	2.3
61.02928	1.2
69.03440	4.0
71.05000	1.7
71.06876	0.7
71.07215	1.0
73.02924	1.2
79.05515	1.6
81.03416	1.5
81.07066	2.4
84.96056	0.6
85.02917	8.9
85.06554	1.0
87.04459	1.1
89.06034	1.3
91.05501	1.8
93.07048	1.2
95.05013	0.9
95.08614	1.0
97.02914	3.4
98.97584	6.0
99.04449	1.4
100.96353	0.6
103.05465	0.9
105.07047	4.8
107.05003	1.5
107.08633	1.1
109.02901	1.1
109.06550	1.2
110.97594	2.4
115.05486	0.7
116.98673	1.4
119.08648	0.8
121.10127	0.9
125.06020	0.7
127.03905	3.1
127.07535	0.6
128.98611	1.5
133.06532	4.1
133.10150	2.4
135.15286	0.5
137.05960	1.1
141.05527	0.6
143.00166	0.6
145.05005	1.7
147.04433	1.0
151.03931	1.5
158.99706	1.5
159.03380	0.7
161.05998	8.1
170.99657	1.0
173.13295	0.8
193.08629	5.4
203.05287	27.3
213.07664	0.9
214.08656	0.6
219.01759	3.7
223.09253	0.8
229.08353	3.1
237.02898	2.2
245.10139	0.8
247.09779	1.3
252.03229	0.7
265.11203	3.9
277.07758	0.6
283.12286	1.9
307.12210	3.6
319.12909	0.8
325.13425	1.1
328.13605	0.8
349.07944	0.7
409.14862	100.0
410.15057	2.0
427.16629	0.9
429.10773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.2
56.96296	3.6
56.96567	39.7
57.03432	3.7
61.02927	7.5
69.03429	12.0
69.69606	7.8
69.69997	5.2
70.98108	5.8
71.05009	3.6
73.02909	5.6
77.57908	2.1
78.77063	2.4
79.05481	2.6
81.03419	4.5
84.96038	10.7
85.02908	31.1
87.04467	2.7
88.23473	2.3
88.99175	2.2
92.17801	2.1
95.04963	2.5
97.02895	18.7
98.97591	100.0
99.04479	3.6
101.00871	9.6
103.00600	2.5
103.02427	2.3
105.03446	2.9
107.04967	4.8
109.02927	3.1
110.97572	23.6
112.99154	9.4
113.00916	2.6
115.02422	2.4
116.98622	34.2
119.01895	12.8
121.02896	2.4
123.04430	6.3
127.03909	10.8
128.98622	24.8
131.00185	10.7
131.01944	7.8
133.01756	2.7
133.03476	6.9
133.06577	2.6
134.99675	8.2
136.06160	2.5
137.06010	4.4
140.98621	4.4
141.02275	3.6
143.00154	7.5
143.01903	15.8
143.03699	2.7
144.98132	2.7
145.01682	6.5
145.03485	10.1
145.04948	7.6
146.99623	18.7
147.03273	4.9
147.04318	5.4
149.01257	2.8
149.05984	3.2
152.98645	5.0
155.00177	2.7
155.01918	9.5
157.03534	6.1
158.99661	25.2
159.03299	9.8
161.01241	7.1
161.02979	16.2
161.06616	2.7
163.02705	3.3
163.04478	3.5
165.00696	5.9
166.07312	3.5
169.01732	4.3
170.99684	9.3
171.01366	4.5
171.05051	2.9
172.97591	2.8
173.01291	4.5
173.02992	10.5
173.06525	2.6
175.02769	2.6
177.00775	18.9
177.02263	4.2
177.04185	2.6
179.02213	3.0
185.01234	5.0
185.02930	5.3
186.99249	3.4
187.00938	4.0
187.02823	9.0
187.04424	2.7
188.97063	3.8
189.00745	11.7
189.02328	3.8
189.04283	3.2
189.06029	3.1
190.98718	3.2
191.03975	3.2
193.00221	4.6
201.00664	11.1
201.02457	3.8
201.04311	4.8
203.02310	4.0
203.04045	7.3
205.00223	4.8
205.03835	20.4
215.00322	3.2
217.01930	4.8
217.05540	3.0
218.98457	2.8
219.01775	57.6
219.03641	4.6
219.05212	3.7
220.56154	3.1
221.03253	2.9
221.05150	8.6
223.01254	3.4
223.04944	15.5
229.01845	3.6
229.03780	13.2
231.01581	2.7
231.03632	3.8
233.03203	3.7
235.06569	6.6
235.56566	4.7
237.02840	67.0
237.05188	4.5
237.57866	2.7
239.06117	3.3
242.03635	4.0
245.04971	7.9
246.56001	3.1
247.03175	2.2
247.04936	39.6
247.07271	2.6
255.03796	3.5
257.04764	6.6
261.02795	3.3
263.06082	8.0
265.06021	7.7
274.97498	2.5
277.06094	2.4
279.03891	10.0
281.05344	3.7
287.05521	3.9
288.99069	2.9
289.03412	4.3
289.06165	9.3
290.06363	3.1
291.03876	12.0
291.07071	4.8
295.07056	3.8
301.04028	4.9
303.07608	4.0
307.05209	8.0
309.04965	23.0
309.08609	12.8
317.01837	2.9
317.07068	3.9
321.04865	4.4
321.08722	3.2
331.07285	2.6
335.02841	4.1
349.08109	46.8
367.09039	15.2
391.09427	5.1
409.01761	3.5
409.10800	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93653	1.1
55.05513	3.7
57.03434	1.4
59.04992	2.4
67.05505	4.5
69.03437	2.9
69.07072	10.7
69.34607	3.2
69.35011	7.2
71.04996	6.2
79.05493	3.5
81.07069	8.9
83.04997	1.6
83.08641	7.8
85.02901	6.6
85.06554	2.9
91.05489	3.8
93.07039	10.5
95.04991	1.7
95.08618	25.5
97.02870	2.2
97.06544	12.1
97.10159	1.7
98.20703	2.5
99.04451	5.5
99.08098	1.9
103.05447	2.7
105.07034	6.7
107.08600	13.9
109.06546	7.7
109.10161	23.0
111.11685	1.3
113.09647	1.5
115.07567	7.0
116.07104	2.1
119.08570	9.8
121.02845	2.0
121.10149	6.3
123.08085	4.0
123.11696	8.3
125.09601	1.9
127.11204	2.4
131.04951	6.0
133.10141	29.4
135.11699	23.2
137.09659	6.6
145.04941	1.6
146.06039	8.4
147.11703	2.9
149.13281	11.1
153.12759	1.9
163.14804	2.7
174.05566	9.3
175.14836	42.7
177.16428	3.3
181.15915	3.0
193.15901	50.9
211.16943	100.0
212.17336	1.8
229.17963	4.8
300.08585	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.7
56.85999	2.0
56.96576	3.5
57.03425	2.4
57.07087	3.4
59.04994	3.3
61.02943	2.3
67.05505	13.1
69.03439	7.7
69.07072	11.1
69.76273	11.7
71.04993	5.9
79.05492	4.7
81.03419	3.8
81.07059	19.3
82.93387	2.0
83.04961	3.1
83.08627	3.7
85.02911	9.9
85.06541	5.7
91.05484	7.5
93.07049	16.6
95.04988	3.0
95.08610	30.6
97.02895	7.3
97.06564	2.6
98.97587	11.6
105.07047	13.3
107.04951	2.9
107.08604	15.9
109.06527	5.5
109.10162	29.2
110.97552	2.6
111.08080	3.6
111.75284	1.8
113.06035	3.5
116.98576	3.3
119.08588	38.1
119.09376	3.5
121.06520	2.3
121.10156	7.1
123.08065	8.7
123.11698	21.3
125.09604	4.0
127.03918	3.8
133.10107	14.6
135.11693	27.4
137.09593	13.2
144.04468	6.2
145.04916	2.1
147.04396	9.0
147.11688	2.8
149.09625	2.6
149.13298	11.2
151.11116	4.0
151.14822	4.0
158.99675	6.1
162.05508	43.2
163.11252	2.2
175.14835	47.5
190.04990	27.9
190.06570	2.7
193.15878	66.2
211.13496	4.1
211.16940	100.0
213.07806	2.7
215.09290	4.2
222.68269	2.3
229.18005	12.0
267.13013	3.1
283.12448	2.7
285.13623	4.7
316.08093	12.8
326.66150	3.0
327.16315	7.7
334.01926	2.1
334.09393	2.1
408.13354	3.7
408.19348	11.4
408.69260	5.5
409.18375	50.2
429.17905	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
57.07058	1.2
67.05502	3.1
69.03432	1.6
69.07063	4.4
69.98737	1.0
70.78612	1.8
70.78941	1.6
71.04993	6.7
78.67288	1.0
79.05506	1.5
81.07037	3.3
83.04969	1.4
85.02907	4.1
85.06560	10.4
91.05508	1.6
93.07045	8.3
95.08620	6.1
97.02898	1.9
97.06551	1.0
98.97568	3.4
99.04494	1.5
99.08084	3.6
100.05251	1.0
103.05460	3.7
105.07012	2.7
107.08620	8.2
109.02885	1.2
109.10171	15.0
111.08093	1.8
111.92440	1.0
113.06025	1.5
116.07086	2.8
119.08577	6.1
121.10128	2.3
123.11726	4.0
127.11201	1.5
131.04900	6.2
131.06970	1.3
133.02867	1.8
133.10136	5.7
135.11702	22.9
137.09633	2.6
146.06030	6.3
147.11670	1.4
149.13274	5.6
149.48172	1.1
151.14848	1.9
153.12747	14.6
158.99689	1.5
167.14281	1.2
174.05566	4.5
175.14825	9.2
193.15866	1.4
205.18175	1.0
211.16934	100.0
215.09419	1.2
219.01605	1.3
266.77359	1.1
300.08664	2.2
408.16470	1.3
408.32114	2.5
409.14072	1.1
409.18478	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	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42765	0.6
53.03931	0.7
55.05506	1.7
57.03424	1.4
67.05490	2.0
69.03428	2.6
69.07068	4.4
69.38435	4.3
69.38835	1.3
71.04996	15.6
73.02929	0.6
74.36488	0.6
79.05492	1.7
81.03413	2.5
81.07063	4.7
83.04953	0.8
83.08609	1.6
84.70341	0.6
85.02904	6.7
85.06541	1.8
91.84802	0.6
93.07047	3.9
95.04990	1.1
95.08614	11.5
97.02896	3.2
97.06520	1.9
97.10176	0.7
98.97600	1.5
99.04460	42.9
99.08082	0.9
105.07046	1.7
107.08592	5.9
109.02841	0.9
109.10168	7.9
111.11678	0.8
113.09645	4.5
115.07566	3.8
119.08575	4.2
121.10121	2.3
123.08075	1.3
123.11691	3.1
125.09647	1.2
127.03902	2.6
128.04945	3.0
133.10133	5.3
135.11688	15.3
135.12712	0.7
135.28403	0.5
137.09604	1.8
139.03912	0.7
139.11137	1.7
141.09094	0.8
141.12747	2.9
143.10669	0.7
146.06015	28.9
147.11703	0.7
149.13269	1.3
151.14821	2.8
153.12753	2.3
163.14789	0.6
165.16341	0.9
169.15901	0.8
174.05513	23.5
175.14845	7.8
193.15894	12.0
211.16940	100.0
212.17223	0.8
282.07718	0.7
289.10818	0.6
300.08667	12.2
309.32440	0.7
318.09659	2.0
398.34491	0.7
408.16565	3.2
409.18604	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	408.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.05499	5.9
57.03437	2.0
57.07078	2.1
67.05495	5.2
69.03423	4.3
69.07076	13.1
69.44793	7.8
69.45201	2.4
71.05001	7.0
79.05475	2.7
81.03386	1.9
81.07074	11.6
83.08616	5.3
85.02917	9.5
85.06538	3.6
89.73773	1.5
91.05476	3.7
93.07053	10.7
95.08619	14.7
97.02910	6.8
97.06538	9.3
98.20785	2.5
98.97585	3.0
99.04456	4.1
99.08092	2.5
99.43571	1.3
103.05496	8.8
105.07023	5.3
106.92224	1.3
107.08600	14.2
109.02879	2.6
109.06506	5.1
109.10167	21.2
111.08080	2.6
111.11746	2.0
115.07589	7.1
116.07112	17.6
119.07813	1.6
119.08594	13.7
121.10196	7.7
123.08048	4.6
123.11716	10.8
125.09589	1.9
127.03893	3.3
127.07658	1.4
127.11216	1.9
128.04941	3.2
131.04938	23.3
133.10139	28.5
135.11707	29.1
137.09605	6.2
139.22414	1.5
145.04924	2.5
146.06017	27.1
147.11728	1.9
149.06108	1.6
149.13298	11.2
151.09386	1.2
151.11148	1.7
151.14763	1.5
153.12735	3.3
155.10686	2.5
174.05533	23.6
175.14842	50.8
177.16405	2.6
193.15906	47.1
193.17676	2.8
211.16948	100.0
229.10707	1.5
300.08661	13.1
318.09683	1.6
372.27386	1.7
379.29654	1.3
408.16458	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
51.61854	0.3
53.03711	0.2
53.03949	2.9
57.69091	0.2
61.02914	0.3
69.03431	9.0
70.41042	0.7
70.41398	0.2
77.03936	0.9
79.05508	2.0
81.03431	0.4
84.25755	0.3
85.02898	0.6
85.32857	0.2
95.04980	2.4
97.02879	2.2
99.04453	0.9
105.03395	100.0
106.03735	0.8
107.04961	28.1
109.02905	1.2
121.73389	0.2
123.04442	0.9
127.03918	8.0
145.04982	0.7
145.24779	0.2
146.06021	0.5
174.05534	0.5
186.86469	0.2
189.05600	0.3
231.06526	3.1
231.08658	0.4
232.06787	0.3
249.07610	4.0
267.08640	24.6
268.08875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
53.79174	2.2
57.03434	3.6
62.06083	8.8
67.05498	4.2
69.03440	30.9
71.04994	34.2
71.54783	2.6
79.05519	3.5
81.03424	33.7
81.07065	4.1
85.02909	46.7
85.06566	2.6
86.46159	2.3
89.06030	18.2
91.05467	3.9
93.07045	15.7
95.04954	6.4
95.08627	4.5
97.02895	18.6
97.06570	3.1
98.97588	2.7
99.04476	5.8
102.01518	2.6
107.08592	6.7
107.81796	2.5
109.02892	37.0
111.21555	2.6
113.06010	3.5
119.08584	8.2
121.10165	14.4
127.03925	52.6
127.04821	4.2
131.04872	2.6
131.08559	2.6
133.10143	3.0
137.09665	3.1
145.04984	14.7
149.09637	9.4
155.10667	4.9
161.08148	2.5
167.10684	4.5
197.08151	6.8
206.86417	2.2
211.13367	11.2
215.09160	57.6
229.14267	2.9
233.10216	100.0
246.20685	12.9
249.11282	12.5
253.99557	2.9
279.75610	2.2
311.14877	7.3
409.18442	52.6
409.23755	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	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01865	1.2
55.05501	3.5
57.03427	4.9
63.19807	1.3
67.05505	1.7
69.03438	11.1
69.88191	4.4
71.04987	3.6
73.05218	1.0
74.91679	1.1
75.04492	6.5
79.05495	17.8
81.03427	11.0
81.07088	5.3
83.04982	1.8
85.02914	10.2
85.06570	1.5
87.04472	1.6
88.23727	1.1
91.05487	12.3
93.07050	90.1
95.04939	2.1
95.08605	4.3
97.02882	7.5
98.20802	1.5
98.97569	1.6
99.04445	2.7
103.05454	1.5
105.04544	1.5
105.07048	8.2
107.08607	23.0
109.02874	7.7
109.06519	1.3
109.10188	1.1
111.08076	6.4
116.06239	1.1
116.75945	1.1
119.08580	16.6
121.06525	2.3
121.10150	100.0
122.10477	1.3
123.08023	1.6
123.11667	1.4
125.05928	1.3
127.03909	5.8
129.05469	2.5
131.08572	5.2
133.10124	2.0
137.09641	1.5
139.11198	5.1
145.04953	5.0
149.09639	23.0
151.11249	2.1
165.09108	1.6
167.10677	35.5
167.14340	1.4
176.08301	3.2
193.12288	2.0
193.66757	1.1
207.10240	1.6
209.15352	2.1
211.13350	4.4
215.09090	1.6
215.73653	1.0
224.55440	1.3
229.14378	1.1
233.10086	2.0
283.15369	1.4
293.13800	11.0
311.14908	33.8
329.15958	3.6
408.13269	6.5
409.13739	6.0
409.18463	4.3
429.14145	1.4
434.53412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
57.07075	10.0
60.34989	0.7
63.11688	0.6
65.03933	1.6
67.05490	2.6
69.07068	22.3
69.48875	1.4
69.49278	4.5
71.08633	11.8
81.07052	4.3
83.08633	1.9
89.06053	1.0
93.07027	1.2
95.04939	0.9
95.08617	4.4
97.10152	2.1
98.21479	1.4
107.08591	1.1
109.10161	2.3
111.11721	6.4
113.00008	2.1
113.13239	1.1
119.08543	1.4
121.02862	4.7
121.10138	1.0
127.03924	1.1
129.12746	3.9
133.08493	0.9
135.11659	0.9
139.03880	1.6
149.02345	100.0
167.03429	9.8
169.02606	1.5
190.04967	1.4
232.00790	0.7
237.37042	0.7
263.23724	1.0
266.62448	0.6
269.02563	0.8
407.27029	0.8
434.15472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2794
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
50.18276	2.1
53.03961	2.0
55.01865	2.9
55.05513	53.7
57.03432	4.3
57.07080	22.2
57.99997	1.9
65.03929	3.8
67.05507	72.7
68.05829	1.7
68.99805	3.1
69.03439	2.0
69.07072	65.7
70.05344	1.8
70.12712	2.7
70.13054	7.0
71.04995	5.0
71.08636	10.0
79.05489	11.7
81.03397	2.3
81.07062	92.7
83.05007	2.6
83.08624	63.8
85.06540	3.8
85.10191	6.1
86.99457	1.8
89.17369	2.1
91.05486	5.8
93.07055	13.6
95.04970	2.6
95.08614	90.5
97.06524	6.5
97.10177	67.4
98.21442	2.7
99.08135	2.6
105.07035	3.8
107.08614	12.1
107.94734	2.0
109.06555	4.4
109.10162	41.3
111.04453	3.7
111.08088	3.0
111.11729	30.8
113.00030	10.3
115.07574	2.7
119.04926	4.9
119.08570	5.7
121.10128	14.7
123.04422	22.7
123.11699	17.3
123.36367	1.8
123.68134	1.8
125.09627	4.3
125.13273	8.0
127.03928	65.7
129.09076	2.5
133.10130	7.6
135.11671	12.4
137.05974	17.2
137.09541	3.6
137.13281	4.8
139.03909	100.0
139.11179	3.3
139.14842	3.1
147.11679	7.7
149.02362	4.0
149.13254	11.3
151.03836	2.6
151.11160	6.8
151.14816	3.5
153.01825	18.6
153.12747	5.2
155.03392	24.7
161.13269	7.8
163.03914	2.1
163.14847	11.8
165.05489	23.9
165.12727	5.6
165.16354	2.7
167.14317	6.3
169.02621	12.7
169.12296	1.9
169.44649	1.7
172.58011	1.7
175.14796	6.4
179.14322	7.9
179.17883	3.6
181.15866	6.2
183.13826	1.9
189.16440	5.4
193.15897	4.6
199.16965	2.2
200.01646	2.1
203.17871	2.2
207.17363	3.5
221.19135	3.5
221.22823	2.2
233.76151	1.9
245.22691	18.4
263.23737	28.5
281.24753	6.1
389.26831	19.9
407.27667	4.3
427.65320	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02370	0.5
53.03946	2.5
57.28730	0.4
60.74926	0.3
61.02924	0.8
63.78862	0.3
69.03433	9.5
71.42997	0.5
77.03922	0.9
79.05503	1.7
81.03405	0.7
81.18754	0.3
85.02898	0.7
95.04988	2.0
97.02893	1.4
99.04456	0.4
99.60597	0.3
105.03399	100.0
106.03716	0.7
107.04964	27.7
109.02897	0.9
123.04443	1.1
127.03923	5.2
145.04990	0.6
146.06059	0.5
189.05467	0.4
208.70467	0.3
217.17455	0.3
231.06551	3.9
249.07536	3.6
267.08655	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05510	1.9
56.96564	0.7
57.03444	1.2
59.31424	0.4
61.64542	0.4
67.05513	0.9
69.03432	5.6
69.07068	0.7
69.45045	3.1
71.04992	1.0
73.02888	0.7
73.06554	4.5
79.05506	0.6
81.03428	3.6
81.07066	1.6
85.02428	1.0
85.02910	10.0
91.05476	1.6
92.74032	0.5
93.07050	1.4
95.05003	0.7
95.08617	0.9
97.02888	8.2
97.06528	0.8
98.97589	1.5
99.04477	1.2
101.06031	0.6
104.07146	0.6
105.03402	1.1
107.04933	0.7
107.08599	0.6
109.02896	2.8
109.06534	0.5
109.10186	1.2
113.94131	0.5
119.04916	0.7
119.08609	0.6
120.08109	3.2
123.11787	0.6
127.03909	5.6
128.04962	10.6
131.04892	0.7
133.10159	0.8
137.05968	0.6
146.06015	100.0
147.04442	3.0
147.06387	1.4
148.04745	1.4
151.11177	1.5
162.05501	0.7
174.05518	93.6
190.05006	1.0
211.16957	1.1
216.06560	1.8
261.12894	0.7
264.06546	0.8
276.24564	0.6
282.07574	1.4
300.08679	39.1
318.09680	7.8
372.27481	0.6
402.95444	0.6
408.12067	0.7
408.16638	7.9
409.09290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.1
56.96566	5.3
57.03425	2.5
57.07080	2.0
61.02919	3.2
67.05499	4.3
69.03424	2.8
69.07072	4.5
70.06582	3.2
70.07413	0.7
71.05009	1.3
71.95261	1.3
72.08156	0.9
73.02915	2.5
79.05500	4.5
81.03432	4.0
81.07064	5.9
83.08611	1.9
84.96052	1.1
85.02901	4.1
91.03954	2.3
91.05481	3.2
93.07035	5.2
95.04969	2.1
95.08589	4.0
97.02901	3.2
97.06522	0.9
97.10205	1.4
98.97587	3.2
101.02356	0.9
105.07035	3.1
107.04967	1.2
107.08594	3.3
109.02927	1.3
109.10181	2.4
110.97556	1.7
111.37170	0.7
119.08568	1.4
121.10141	2.3
127.03934	2.6
128.98537	1.2
129.07027	1.6
131.08568	1.5
132.10168	1.4
133.10089	1.4
135.11745	1.8
136.12041	0.9
145.10104	1.0
146.11787	1.0
147.11845	1.2
149.09631	1.3
153.01996	1.3
157.10081	1.4
171.65318	0.7
177.00690	0.8
177.13002	0.8
185.04927	0.8
193.12268	1.8
199.06380	2.1
203.05957	1.2
211.06384	1.1
213.08006	2.1
217.07463	0.9
225.07909	1.1
229.07454	0.9
231.09094	1.5
235.06502	0.9
241.07468	2.6
243.09044	1.9
248.59770	1.0
249.07944	1.2
255.09096	2.1
257.26605	1.0
259.08499	4.3
267.09106	6.9
267.15991	1.0
269.10663	3.0
270.13043	0.9
273.10098	1.8
284.12860	0.8
285.10123	8.9
285.16980	1.2
286.10373	1.8
287.63483	3.5
288.13986	7.7
288.64212	2.8
292.12152	1.4
295.15121	1.0
300.29141	1.6
301.29266	7.6
303.11426	1.0
308.11813	1.3
309.17010	1.3
333.14688	1.0
345.31747	2.9
349.16742	4.8
358.16385	1.1
367.17883	3.3
382.60284	0.8
389.19186	1.5
390.19437	1.2
406.73148	2.0
407.24060	100.0
407.35544	25.9
407.74054	1.7
408.24509	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.1
56.96566	5.3
57.03425	2.5
57.07080	2.0
61.02919	3.2
67.05499	4.3
69.03424	2.8
69.07072	4.5
70.06582	3.2
70.07413	0.7
71.05009	1.3
71.95261	1.3
72.08156	0.9
73.02915	2.5
79.05500	4.5
81.03432	4.0
81.07064	5.9
83.08611	1.9
84.96052	1.1
85.02901	4.1
91.03954	2.3
91.05481	3.2
93.07035	5.2
95.04969	2.1
95.08589	4.0
97.02901	3.2
97.06522	0.9
97.10205	1.4
98.97587	3.2
101.02356	0.9
105.07035	3.1
107.04967	1.2
107.08594	3.3
109.02927	1.3
109.10181	2.4
110.97556	1.7
111.37170	0.7
119.08568	1.4
121.10141	2.3
127.03934	2.6
128.98537	1.2
129.07027	1.6
131.08568	1.5
132.10168	1.4
133.10089	1.4
135.11745	1.8
136.12041	0.9
145.10104	1.0
146.11787	1.0
147.11845	1.2
149.09631	1.3
153.01996	1.3
157.10081	1.4
171.65318	0.7
177.00690	0.8
177.13002	0.8
185.04927	0.8
193.12268	1.8
199.06380	2.1
203.05957	1.2
211.06384	1.1
213.08006	2.1
217.07463	0.9
225.07909	1.1
229.07454	0.9
231.09094	1.5
235.06502	0.9
241.07468	2.6
243.09044	1.9
248.59770	1.0
249.07944	1.2
255.09096	2.1
257.26605	1.0
259.08499	4.3
267.09106	6.9
267.15991	1.0
269.10663	3.0
270.13043	0.9
273.10098	1.8
284.12860	0.8
285.10123	8.9
285.16980	1.2
286.10373	1.8
287.63483	3.5
288.13986	7.7
288.64212	2.8
292.12152	1.4
295.15121	1.0
300.29141	1.6
301.29266	7.6
303.11426	1.0
308.11813	1.3
309.17010	1.3
333.14688	1.0
345.31747	2.9
349.16742	4.8
358.16385	1.1
367.17883	3.3
382.60284	0.8
389.19186	1.5
390.19437	1.2
406.73148	2.0
407.24060	100.0
407.35544	25.9
407.74054	1.7
408.24509	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.1
56.96566	5.3
57.03425	2.5
57.07080	2.0
61.02919	3.2
67.05499	4.3
69.03424	2.8
69.07072	4.5
70.06582	3.2
70.07413	0.7
71.05009	1.3
71.95261	1.3
72.08156	0.9
73.02915	2.5
79.05500	4.5
81.03432	4.0
81.07064	5.9
83.08611	1.9
84.96052	1.1
85.02901	4.1
91.03954	2.3
91.05481	3.2
93.07035	5.2
95.04969	2.1
95.08589	4.0
97.02901	3.2
97.06522	0.9
97.10205	1.4
98.97587	3.2
101.02356	0.9
105.07035	3.1
107.04967	1.2
107.08594	3.3
109.02927	1.3
109.10181	2.4
110.97556	1.7
111.37170	0.7
119.08568	1.4
121.10141	2.3
127.03934	2.6
128.98537	1.2
129.07027	1.6
131.08568	1.5
132.10168	1.4
133.10089	1.4
135.11745	1.8
136.12041	0.9
145.10104	1.0
146.11787	1.0
147.11845	1.2
149.09631	1.3
153.01996	1.3
157.10081	1.4
171.65318	0.7
177.00690	0.8
177.13002	0.8
185.04927	0.8
193.12268	1.8
199.06380	2.1
203.05957	1.2
211.06384	1.1
213.08006	2.1
217.07463	0.9
225.07909	1.1
229.07454	0.9
231.09094	1.5
235.06502	0.9
241.07468	2.6
243.09044	1.9
248.59770	1.0
249.07944	1.2
255.09096	2.1
257.26605	1.0
259.08499	4.3
267.09106	6.9
267.15991	1.0
269.10663	3.0
270.13043	0.9
273.10098	1.8
284.12860	0.8
285.10123	8.9
285.16980	1.2
286.10373	1.8
287.63483	3.5
288.13986	7.7
288.64212	2.8
292.12152	1.4
295.15121	1.0
300.29141	1.6
301.29266	7.6
303.11426	1.0
308.11813	1.3
309.17010	1.3
333.14688	1.0
345.31747	2.9
349.16742	4.8
358.16385	1.1
367.17883	3.3
382.60284	0.8
389.19186	1.5
390.19437	1.2
406.73148	2.0
407.24060	100.0
407.35544	25.9
407.74054	1.7
408.24509	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
53.25920	0.4
68.85437	0.4
70.60635	0.7
74.89744	0.5
79.05494	3.6
85.02914	1.3
86.66527	0.4
95.04965	1.0
97.02831	0.4
98.97593	0.8
105.04510	0.6
107.04960	100.0
108.05305	1.0
118.32479	0.5
127.03946	0.4
153.06618	0.4
160.80949	0.5
167.06995	0.5
189.04143	0.4
195.87131	0.4
219.01949	0.6
245.04756	6.7
275.11154	0.4
320.03052	0.4
349.24039	0.4
407.09970	0.7
407.15256	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	407.1529
Annotation	Pamapimod
Peak:m/z	Relative Intensity
56.96561	1.0
61.02916	0.7
69.03423	1.5
69.32997	3.7
69.33300	0.4
74.06068	0.5
74.32020	0.4
79.05492	0.6
81.03400	0.9
85.02911	3.2
86.09710	0.5
86.66227	0.4
88.03968	0.6
97.02893	1.3
98.97598	4.6
106.19111	0.4
107.04955	7.1
108.05296	1.3
109.02900	0.6
110.97582	0.8
112.99072	0.4
116.98638	0.9
119.08631	0.5
120.99564	1.4
127.03861	1.0
128.98598	1.0
133.06441	0.4
138.02219	4.2
139.02550	1.6
143.00209	0.4
145.04947	0.8
158.99736	1.6
167.07002	0.7
177.00725	0.9
219.01791	1.9
237.02808	1.8
244.06403	0.6
245.04625	0.5
245.06865	0.6
255.82925	0.4
291.10529	5.2
317.12067	0.5
347.10071	0.8
365.11349	0.8
407.15262	100.0
408.15613	1.8
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
55.05516	4.6
58.05768	2.7
63.15139	2.4
67.05492	6.5
69.03420	6.2
69.07066	3.6
69.49815	6.2
69.50224	9.8
71.04970	2.7
72.89428	2.1
79.05482	6.0
81.03407	2.4
81.07069	11.5
83.04987	7.4
85.02895	9.4
88.79317	2.1
91.05477	4.6
93.07039	19.7
95.04987	2.3
95.08606	11.3
98.97557	8.4
99.08133	2.7
105.07052	6.4
107.04958	6.3
107.08607	20.1
109.06506	5.7
109.10168	13.0
118.05186	2.4
119.08590	5.7
121.10146	15.2
123.08081	23.6
123.11701	3.8
127.07537	5.2
131.08588	3.6
133.10074	11.5
135.08086	5.0
135.11731	2.4
137.05901	2.3
137.09621	5.5
139.11166	4.6
141.09085	6.6
144.77071	2.1
145.10138	3.2
147.04367	4.7
147.11760	4.3
149.09651	5.6
149.13252	9.8
151.11197	8.9
153.09125	8.2
154.09883	4.8
155.10622	4.4
161.13243	3.9
163.11194	3.0
163.14806	4.9
167.07043	3.5
173.13280	6.3
191.14337	15.3
209.15375	100.0
227.16377	2.9
244.09099	2.5
326.15546	3.2
336.22937	2.5
377.99930	2.9
406.17404	5.3
407.18448	2.7
408.80014	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60668	2.3
53.03945	3.0
55.05503	9.5
56.65355	2.3
57.03432	2.9
57.07060	4.0
59.04985	4.1
61.02897	3.3
62.42141	2.3
67.05507	13.8
69.03439	18.1
69.07073	20.1
69.58103	13.2
71.05004	17.7
73.02927	2.8
79.05491	25.0
81.03407	4.7
81.07059	44.4
83.04974	10.7
83.08609	9.3
85.02908	37.3
85.06532	8.2
91.05479	11.6
93.07034	29.1
95.04980	7.4
95.08604	35.2
97.02929	11.8
97.06514	7.1
98.20793	4.8
99.03853	3.8
99.04464	68.9
101.06018	13.0
105.07034	25.4
107.04975	3.0
107.08598	100.0
107.77444	2.3
109.02903	3.5
109.06512	16.3
109.10162	14.9
109.10834	2.4
111.08109	3.4
111.23905	2.2
113.06008	6.4
117.07042	2.6
119.08604	19.2
121.06491	3.8
121.10155	52.6
123.08059	7.9
123.11686	4.8
125.09618	6.9
127.03902	10.9
131.08556	7.6
133.10138	29.7
135.00826	2.5
135.08080	11.8
135.11684	12.7
139.11168	7.4
141.34798	2.5
145.04959	7.1
145.10146	5.0
147.11647	12.3
149.13269	5.8
151.11166	9.9
161.13251	39.8
163.11200	3.7
163.14847	20.3
165.12769	19.3
165.87753	2.5
173.13257	14.7
179.14308	92.5
179.15845	5.3
181.04922	3.4
182.05371	4.2
191.10629	2.7
191.14311	67.5
197.15425	22.9
197.95947	2.3
209.11897	3.7
209.13470	4.8
209.15364	81.1
227.16324	15.2
267.41565	2.6
381.64246	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40224	1.7
53.03937	2.5
55.05513	3.6
57.03425	3.2
66.50655	1.8
67.05500	3.5
69.03420	7.5
69.07056	5.9
71.04977	6.1
71.09449	4.0
79.05495	3.8
81.03369	1.9
81.07039	10.2
83.04959	3.1
83.08606	2.4
85.02917	15.2
91.05473	3.3
93.07056	10.3
95.04979	14.7
95.08584	6.7
96.04450	2.0
97.02873	3.5
97.06541	10.2
98.97567	4.8
99.04433	5.4
99.08080	4.9
105.07011	7.0
106.48926	1.7
107.04900	2.6
107.08594	10.2
109.06509	15.4
109.10136	7.7
111.08058	2.5
119.08561	6.5
121.09463	1.7
121.10170	18.1
123.08044	4.0
123.11674	3.1
125.09591	2.2
127.03858	3.9
131.08553	5.8
133.10126	23.2
135.08049	4.5
135.11691	4.4
137.05960	2.7
137.09625	2.6
139.11191	3.2
145.10097	2.9
147.04393	2.9
147.11661	19.7
149.09622	3.4
149.13266	6.6
151.11182	7.7
153.09103	6.5
163.14809	2.9
165.12755	2.6
171.10109	3.5
173.13197	8.8
191.14328	16.3
209.15369	37.6
209.17259	1.5
227.12955	4.0
227.16425	100.0
246.14836	2.5
303.05017	4.8
325.09546	3.1
406.11783	19.5
407.12988	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.9
57.01350	0.7
59.04990	0.7
67.05496	1.3
69.03416	2.1
69.07064	1.8
69.96385	3.0
71.04990	2.8
79.05492	1.0
81.03424	1.1
81.07043	2.7
83.04984	8.2
83.08627	7.1
85.02925	5.3
85.06557	1.6
91.05473	1.8
93.07040	2.5
95.04974	52.2
95.08604	1.9
97.02886	1.9
97.06516	1.9
97.10178	1.2
98.21380	0.9
98.97590	0.9
99.04459	15.6
99.08125	1.1
100.47128	0.7
105.07037	1.9
107.08612	3.7
109.06503	1.4
109.10153	5.0
111.08074	2.4
119.08610	1.3
121.10141	2.7
123.08044	0.8
123.11703	1.9
125.09620	2.0
127.03939	1.1
131.08537	1.0
133.10138	5.9
135.08058	0.9
145.04985	1.2
147.08060	0.7
147.11710	1.5
149.13248	1.6
151.11189	11.9
153.09116	20.6
167.06978	1.0
167.14337	15.0
173.13316	1.7
175.14891	1.1
191.14320	3.4
209.15378	100.0
210.15764	2.2
227.16440	5.0
239.08922	0.6
371.20609	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.0
57.03449	3.3
57.07088	2.8
59.96141	2.6
62.09486	2.2
66.09251	2.5
67.05511	7.6
69.03433	4.6
69.07068	4.8
70.84342	5.0
71.04998	5.3
77.11131	2.8
79.05501	8.0
81.03450	3.1
81.07063	15.4
83.04990	16.9
83.08609	12.5
85.02910	11.8
85.06544	14.6
87.48339	2.5
91.05484	5.7
93.07048	10.4
95.04970	7.7
95.08627	7.9
97.06498	11.6
97.10145	3.1
98.97592	5.4
100.82498	2.9
105.07043	19.0
107.08617	20.6
109.06532	20.5
109.10149	17.2
115.07561	4.1
119.08598	14.3
121.10121	24.5
123.08049	2.8
123.11719	10.6
123.38628	2.7
125.09652	5.3
131.08566	18.8
133.10127	27.0
135.08063	6.8
135.11659	4.2
137.09608	3.4
137.99246	2.6
145.04926	2.7
145.10141	9.9
147.11699	11.6
147.51360	2.5
149.09616	11.9
149.13260	7.5
149.22720	2.2
149.72113	2.3
150.02275	2.5
151.11169	21.3
153.09102	7.9
156.62161	2.7
158.10965	2.3
162.02170	2.6
163.11235	3.8
163.14847	7.7
167.10652	12.2
167.14301	19.8
173.13266	24.8
175.14822	17.3
191.10669	11.9
191.14343	21.4
208.46136	2.6
209.11816	24.6
209.15361	100.0
227.12828	24.4
227.16394	24.3
406.17560	5.3
425.14450	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.9
62.95365	1.5
67.05508	3.6
69.03426	4.1
69.07062	4.4
71.49812	2.7
79.05494	4.6
81.07069	16.3
85.02905	6.1
87.04489	10.9
91.05485	3.4
93.07056	15.5
95.04947	1.8
95.08624	4.1
97.02937	2.4
105.07036	5.3
107.08613	5.9
109.06499	3.8
109.10203	2.7
109.20609	1.7
111.11702	1.8
119.08543	2.9
121.02978	2.0
121.09326	3.1
121.10153	35.6
123.08147	3.1
123.11718	64.3
123.52249	1.7
127.03929	1.9
131.08560	1.7
133.10127	3.3
139.11203	3.6
147.11668	10.8
149.09650	22.4
151.10017	1.8
151.11194	28.9
153.09108	3.2
157.71289	1.6
165.12762	9.8
167.10686	74.1
173.13312	3.8
191.14322	7.9
209.11856	2.1
209.15413	19.2
227.16438	100.0
240.10350	2.0
263.30298	2.0
406.18204	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01875	1.6
55.47100	0.9
57.03432	1.2
57.07067	2.3
58.55582	0.8
61.02917	1.1
61.48735	0.8
65.03960	0.9
67.05511	8.1
69.03428	4.0
69.07056	2.4
69.41707	0.9
69.56101	5.9
69.78282	0.9
71.04986	7.5
71.44908	0.8
76.02211	1.8
79.05492	7.2
81.03425	1.7
81.07050	2.6
83.04990	2.4
85.02905	13.0
85.06545	53.2
88.17024	0.8
91.05495	5.4
93.07042	7.9
95.04987	1.9
97.02901	3.1
97.06548	1.6
98.20715	0.8
99.08100	2.6
105.07058	6.6
107.04956	3.3
107.08599	9.9
109.02877	1.4
109.06511	2.6
111.04446	5.2
116.01691	2.1
117.07038	1.8
119.08583	7.2
121.06504	5.3
121.10142	8.1
125.05972	2.6
127.03934	2.3
128.19946	0.9
129.07011	2.4
130.07805	0.9
131.08571	33.0
133.10143	0.9
135.11696	3.0
137.06029	2.1
137.09604	3.1
143.07098	1.1
144.01207	1.0
145.04967	2.1
145.06488	1.0
145.10130	14.7
147.08032	2.7
147.11700	0.9
149.05963	1.0
149.08414	1.6
149.09621	28.2
153.05536	1.7
155.07037	1.1
156.08400	0.8
156.10243	2.0
162.02217	1.0
163.07529	1.3
163.11189	11.1
164.88040	0.9
165.09149	5.5
167.10687	15.4
173.09589	3.9
191.10680	37.5
197.11694	1.4
209.11729	51.0
227.12782	100.0
228.13084	1.6
259.11075	7.7
424.90295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05514	2.9
67.05495	3.3
69.03424	2.0
69.07070	4.9
69.64418	7.4
70.43843	1.2
71.04993	9.4
79.05488	15.8
81.07049	3.6
83.04961	3.8
85.02914	4.1
85.06574	1.5
91.05486	9.4
93.07053	14.1
95.08629	3.0
97.06510	2.0
98.97614	1.8
105.07036	11.0
107.04958	5.2
107.08602	23.3
109.02898	1.7
109.06527	3.2
111.04406	1.3
117.07022	2.4
119.08572	5.8
121.02855	1.3
121.06510	13.5
121.10154	14.1
128.40485	1.2
129.07010	1.4
131.08578	68.0
132.08908	1.2
133.10143	10.6
135.08047	2.7
135.11711	2.9
143.08580	1.8
145.10118	19.5
147.08026	1.6
147.11736	3.5
149.09630	30.2
149.13252	1.4
153.05434	3.5
154.70958	1.1
163.11166	10.5
163.14795	5.3
165.09180	2.5
167.07076	4.6
173.09601	2.9
173.13252	6.7
191.10677	20.4
191.14322	8.5
209.11740	100.0
323.44424	1.3
406.17636	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	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01890	8.0
55.05515	3.4
55.96753	1.5
60.17924	1.8
64.45109	1.7
65.03936	1.7
67.05489	5.8
69.03434	9.2
69.07073	10.7
71.04995	4.7
71.54772	1.6
77.69981	1.8
79.05491	12.7
81.03423	15.6
81.07062	11.8
83.04994	4.5
83.08627	2.5
85.02913	8.0
85.06536	4.5
91.05495	8.7
92.05000	2.0
93.07052	21.1
95.04955	5.4
95.08604	11.5
95.92479	1.5
97.02900	3.9
97.06542	10.3
98.97581	2.7
99.04489	7.9
103.05521	2.6
105.07041	16.9
107.04966	100.0
107.08604	29.2
109.02892	17.5
109.06543	8.7
109.10173	4.8
111.04436	3.3
111.08068	2.3
113.06032	3.1
117.07017	3.0
119.08575	6.3
120.04475	87.3
121.06528	8.5
121.10150	14.3
123.04422	2.4
123.08087	6.2
127.03944	13.2
131.04915	3.2
131.08562	2.1
132.05301	1.9
133.10126	5.0
135.08093	2.3
135.11703	12.7
135.41841	1.7
137.06018	2.2
138.05515	91.1
139.03946	2.4
145.10117	14.3
147.11664	2.7
149.09607	8.1
151.07529	6.4
163.11194	40.6
163.81746	1.7
167.07022	2.6
167.10661	16.8
169.08617	60.3
173.09621	3.1
173.69528	1.6
181.12233	10.4
185.11839	2.6
191.10660	19.8
196.16925	1.8
209.11754	24.6
218.38971	1.8
219.01802	1.7
221.02957	5.5
226.08649	2.5
226.18071	8.2
227.12805	73.9
244.09737	35.9
263.03976	2.2
282.18259	2.0
289.14307	3.8
317.13928	1.9
335.15152	3.8
353.15958	30.9
371.17050	8.4
406.15588	51.1
406.20773	3.8
407.20459	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79420	1.1
53.03938	1.7
55.05505	2.4
57.03435	2.4
59.04990	2.0
67.05507	3.0
69.03413	2.6
69.07063	4.4
71.04987	2.6
71.44316	2.2
79.05064	1.5
79.05496	18.8
81.06588	1.8
81.07056	27.9
85.02917	5.6
86.09734	1.0
91.05466	5.9
93.07047	9.1
94.04295	1.0
95.04964	1.4
95.08612	8.3
97.02888	2.6
97.06532	4.6
98.97598	2.0
99.09698	1.2
105.07033	5.5
107.04935	2.2
107.08595	73.0
109.02831	1.2
109.06517	4.8
109.07200	1.3
109.10146	1.7
115.07594	2.5
119.06035	1.3
119.08577	3.7
121.06496	1.1
121.09328	1.8
121.10143	23.3
123.04484	2.2
123.08052	3.0
124.03955	1.6
125.09607	1.6
127.03895	2.4
131.08572	2.4
133.10121	5.1
135.11723	6.8
137.09659	1.3
140.77539	1.1
147.04486	1.3
147.11694	2.8
149.13275	2.5
151.11162	1.3
161.13260	13.7
163.14807	8.7
167.14201	1.0
173.13216	3.8
175.14966	1.3
179.14314	100.0
180.14806	1.5
191.14319	21.9
193.15894	3.3
209.15352	26.5
273.54816	1.0
353.19611	2.0
406.15161	1.5
407.13077	1.7
424.45419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05507	1.5
56.05021	0.8
57.03426	2.4
58.99575	1.6
64.31396	0.6
67.05481	1.4
69.07040	3.3
70.88863	1.3
71.04999	5.4
76.02232	3.4
79.05492	7.8
81.07067	4.6
83.04977	1.7
84.04506	5.2
85.02890	1.3
85.06525	0.8
87.02706	0.9
91.05476	5.0
93.07039	7.2
95.04958	1.4
97.02861	0.9
97.06558	1.8
98.09696	2.3
98.20898	0.7
99.08064	0.9
102.05546	1.1
105.07021	5.9
107.04939	3.2
107.08587	10.1
109.06496	0.8
113.04209	1.3
116.01697	4.1
116.06184	0.7
117.07011	1.1
119.08588	2.6
121.06512	9.2
121.10143	6.8
123.08115	0.8
125.06009	1.5
125.16373	0.8
129.06976	0.8
130.04971	1.4
130.06874	0.9
131.08571	53.2
135.11743	1.2
139.07608	0.8
141.05507	1.0
144.01122	1.5
145.10124	11.3
147.08087	1.4
147.11630	0.8
149.08409	1.1
149.09616	22.3
151.07452	0.7
153.05493	2.4
156.08398	3.4
156.10199	2.3
157.06859	1.4
162.02225	3.6
163.11160	7.6
165.09091	1.9
167.07033	1.1
167.10703	0.9
171.11951	0.7
173.09665	0.9
174.09541	3.3
179.04863	2.3
191.10687	15.9
209.11731	100.0
210.12035	0.9
216.06911	1.2
227.12749	1.7
259.11121	20.5
331.13098	1.5
362.36050	0.7
406.16544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84698	1.2
55.01865	3.3
55.05518	8.3
57.03424	4.7
57.07075	3.0
59.01082	1.3
60.25449	1.1
65.73779	1.2
67.05495	5.4
69.07074	9.8
71.08618	2.9
79.05486	3.2
81.07046	5.5
83.08614	6.0
91.05487	1.9
93.07043	4.3
95.08593	5.3
97.06556	1.3
97.10156	5.0
98.20729	2.7
107.08579	2.3
109.10150	2.6
111.11709	2.5
113.00024	100.0
121.10135	4.0
123.11663	1.6
135.11700	2.9
149.13159	1.5
161.40729	1.2
169.02621	92.5
182.09378	1.4
219.21181	1.4
237.22125	7.1
269.80258	1.4
323.19583	2.0
405.29688	2.2
405.37466	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	405.2636
Annotation	yanuthone M
Peak:m/z	Relative Intensity
55.05520	4.8
57.07077	3.4
67.05505	2.5
68.99829	0.5
69.07069	4.4
69.80484	2.3
71.08665	0.9
72.66553	0.4
74.88661	0.4
76.96149	0.4
79.05507	1.2
81.07050	3.0
83.08632	1.6
85.10204	0.7
86.69743	0.4
91.05508	1.0
93.07059	2.1
95.08607	2.3
97.10206	0.8
105.07080	0.6
107.08602	1.0
109.10162	1.2
111.11674	0.5
111.81850	0.4
119.08601	0.6
121.10139	1.1
123.04451	0.8
127.03954	0.7
135.11707	0.6
137.05997	0.7
139.03893	4.4
147.11765	0.5
149.06049	1.0
151.03894	1.0
153.01831	26.1
155.61459	0.5
163.03922	2.5
165.01839	0.5
165.05511	0.5
167.07030	0.4
179.03412	7.3
191.03465	1.8
191.07010	1.1
192.04189	10.2
193.04959	3.2
205.04974	24.9
206.05727	0.8
219.06544	2.8
233.08171	1.4
247.09715	1.4
261.11285	1.8
275.12680	2.1
289.14322	3.3
303.15921	3.5
317.17453	4.9
331.19080	4.7
331.94904	0.4
345.20602	3.9
387.25317	70.0
388.25546	1.2
405.26364	100.0
406.26672	1.9
406.31519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.01878	3.8
55.05519	2.1
56.05042	4.5
57.03440	6.0
58.99584	9.5
61.80175	0.9
67.05508	1.9
68.05012	1.6
69.03432	1.1
69.07076	2.7
71.04991	3.3
71.33628	1.3
71.33969	1.0
72.73576	0.9
73.01123	1.6
73.30212	0.9
74.00658	1.8
76.02229	17.2
76.04009	1.5
79.05489	7.7
81.07066	15.6
83.06129	0.9
84.04508	24.1
85.01122	2.4
85.02915	1.5
86.00668	2.8
86.99046	5.0
87.02689	4.7
88.02204	1.3
91.05488	2.4
93.07066	4.6
95.04957	1.3
95.08606	4.3
97.06534	2.4
98.09698	8.2
99.08102	3.9
102.05540	2.7
105.07066	4.9
107.04958	1.9
107.08615	6.1
108.08076	1.0
110.09698	1.2
111.08111	0.8
112.03960	3.0
113.04232	5.3
115.05770	1.3
115.76425	0.9
116.01678	19.8
117.07032	0.9
119.08567	1.6
121.06538	4.5
121.10157	3.9
122.09680	1.3
122.34462	0.9
123.08086	1.4
127.05819	1.6
129.06560	2.2
130.05042	6.2
130.06874	3.6
131.08571	32.4
131.15756	1.0
139.05803	1.6
142.03258	2.0
143.02725	1.7
144.01141	8.8
145.05026	1.2
145.06036	1.0
145.10115	6.3
147.07980	1.1
148.27429	1.0
149.09622	13.5
153.05490	1.2
156.08440	17.1
156.10214	10.5
157.06847	6.7
162.02216	20.1
163.11140	4.5
167.07082	1.2
173.09618	1.0
174.09471	8.7
179.04892	6.6
189.03265	1.4
191.10696	11.6
209.11740	55.9
210.11264	2.2
215.04868	1.8
216.06937	5.7
233.05891	1.5
259.11130	100.0
260.11536	1.6
277.12112	1.5
277.16452	1.0
285.12677	2.5
291.06451	1.1
313.12079	3.4
331.13211	4.5
406.16309	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01865	0.4
57.03437	0.7
69.03438	5.1
69.28292	3.4
71.05003	0.7
73.02911	0.9
79.05504	2.5
80.04960	0.4
81.03439	1.8
81.07069	0.4
82.06579	4.0
85.02913	8.0
87.04471	1.1
91.03934	0.7
93.07053	0.4
97.02887	3.3
99.04463	0.7
105.07041	0.6
107.04961	52.5
108.05289	0.6
108.08114	0.7
109.02904	1.0
110.09690	20.2
122.09685	1.2
127.03915	1.3
134.91782	0.4
135.99269	0.3
136.07588	0.6
138.09149	29.1
145.04956	0.8
150.09158	4.0
151.09892	0.4
163.04150	0.4
196.16985	0.4
198.59052	0.4
216.13849	14.1
244.13345	100.0
245.13669	1.2
258.15042	0.5
272.14917	0.4
280.36728	0.4
326.23651	0.3
378.19180	9.3
406.18564	4.1
406.30231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
57.07058	2.0
57.50068	1.3
59.02028	1.2
67.05502	7.2
69.03416	3.8
69.07055	2.7
69.56293	7.7
71.04985	5.8
79.05493	7.9
79.94790	1.2
81.03435	1.5
81.07040	1.6
83.04971	1.8
85.02915	14.3
85.06547	51.9
91.05482	4.3
93.07044	7.4
97.02879	4.2
97.06507	1.7
97.88306	1.4
99.08047	2.5
105.07045	6.8
107.04922	3.4
107.08616	8.4
109.02878	2.1
109.06526	1.9
111.04440	4.6
117.07011	3.2
119.08580	6.0
121.06512	3.8
121.10191	8.0
121.10884	1.9
125.05934	2.2
127.03914	1.7
128.29184	1.3
129.07025	2.8
131.08569	27.9
135.11658	2.8
137.09615	2.9
141.05309	1.5
145.04955	2.4
145.10124	14.6
147.08047	2.4
149.09616	29.1
153.05501	1.9
163.07602	1.8
163.11162	11.7
165.09123	4.9
167.10703	16.6
173.09641	3.0
191.10672	32.5
209.11745	46.9
227.12799	100.0
228.13255	1.6
231.20985	1.4
234.15808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
53.97225	0.8
55.01868	1.5
56.96560	2.0
57.03432	1.6
61.02906	1.3
61.94338	0.8
67.05501	1.9
67.80605	1.1
68.20094	1.0
69.03403	3.1
69.68909	0.8
70.06582	1.2
71.04990	2.3
71.53728	1.6
73.02909	1.4
79.05504	6.5
81.03428	1.8
81.07042	2.8
83.04991	1.1
84.04497	1.3
85.02916	7.5
86.09692	1.0
87.04470	1.0
89.06022	9.2
91.05474	3.8
93.07050	8.9
95.04971	1.9
97.02885	6.1
98.97575	3.6
99.04399	1.5
103.05449	1.7
105.03381	2.9
105.07022	2.0
107.04948	3.6
109.02863	2.0
116.98599	1.3
119.08571	1.7
121.06506	16.4
121.10134	2.5
123.04456	2.0
123.08079	6.8
127.03967	4.4
135.06514	2.0
137.06001	1.6
138.05508	7.7
139.07538	15.6
145.04945	3.7
147.04373	1.0
149.06024	7.4
158.99693	1.6
163.03934	7.4
167.07050	100.0
177.05504	1.3
185.08188	2.0
199.09666	82.6
209.11652	1.7
209.15346	1.2
215.09261	1.1
219.01711	1.9
227.09111	2.2
234.06073	1.0
237.02808	1.6
243.08659	0.9
244.05875	11.1
259.11169	1.7
261.09650	1.8
363.11203	1.1
391.65271	1.0
406.10846	20.9
406.16284	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2275
Annotation	Kuhistanicaol E
Peak:m/z	Relative Intensity
55.05346	1.2
55.05640	2.2
56.96666	0.6
57.06898	0.8
57.07207	1.3
67.05269	0.9
67.05634	1.3
69.03556	0.5
69.06810	0.7
69.07218	2.6
69.17619	4.2
71.08738	0.5
73.80443	0.4
79.05645	1.2
81.03537	0.5
81.06710	1.0
81.07222	3.1
83.08775	1.0
85.03078	0.5
89.45709	0.5
90.42502	0.5
91.05613	0.8
93.07228	1.5
93.20493	0.5
95.08186	0.8
95.08781	1.7
97.03021	0.5
97.10307	0.7
98.31321	0.4
105.07207	0.5
107.08775	0.9
109.10321	1.0
119.08689	0.5
121.10303	1.0
123.04612	0.6
127.04069	0.8
133.10339	0.5
135.11893	1.0
137.06137	0.9
139.04137	3.7
147.11935	0.5
149.06067	0.5
151.04079	0.8
153.00732	1.3
153.02055	19.8
163.03906	2.4
165.02089	0.5
167.39888	0.4
175.11459	0.4
177.05682	1.0
179.03415	5.9
191.03589	1.2
191.07225	1.0
192.04175	6.5
193.05005	2.5
205.04970	17.1
206.05893	0.7
210.97545	0.5
217.50456	0.5
218.05902	0.5
219.06709	1.9
233.08310	1.1
241.58047	0.4
247.09908	0.8
261.11362	1.0
267.09058	0.6
270.87274	0.4
275.12964	1.6
285.10236	0.5
289.14380	2.0
303.15811	2.5
317.17621	1.9
331.15753	0.5
349.16931	1.0
359.22180	54.3
360.22498	1.3
369.20663	1.0
387.21677	100.0
388.22025	2.7
405.22678	20.5
405.30716	0.9
405.37100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2122
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
53.03949	4.4
55.05515	8.2
56.81843	2.9
57.03443	5.1
67.05497	8.0
69.03445	10.6
69.07076	6.0
69.84688	18.7
71.05016	5.0
79.05497	7.4
81.03410	37.9
81.07066	11.5
83.04982	9.4
85.02919	21.1
85.06535	4.9
91.05482	13.4
93.07048	14.7
95.04958	11.0
95.08614	23.6
97.06541	8.1
98.97554	3.4
99.04446	6.3
99.08093	14.6
105.07021	21.6
107.04963	5.2
107.08605	19.7
109.06513	8.5
109.10165	10.4
112.55266	3.4
119.08592	25.8
120.08937	4.9
121.06510	7.4
121.10159	18.6
123.04462	6.5
123.08081	33.3
123.11768	3.8
125.09646	12.8
131.08585	4.6
133.10152	9.2
135.08058	45.4
135.11731	3.9
137.05995	4.0
137.09637	22.7
139.07550	4.0
147.04413	5.3
147.08080	11.8
147.11691	16.3
148.08421	9.9
149.09656	25.4
151.07561	15.6
153.99431	4.1
161.05904	3.5
161.13313	22.0
163.11125	15.9
165.09189	18.6
165.10365	3.7
165.12761	5.4
167.07095	5.1
171.11751	4.7
177.12741	16.4
179.14270	5.2
189.12766	38.8
195.13873	21.3
207.10239	21.8
207.13805	100.0
208.10504	29.6
209.15408	6.2
225.14868	78.7
236.48193	3.3
259.11090	17.5
373.12778	9.6
383.25034	3.3
405.16718	19.1
406.11243	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	405.1733
Annotation	Glu Ala Trp
Peak:m/z	Relative Intensity
57.07065	0.9
61.62200	0.4
69.03431	0.5
70.34175	1.4
81.07053	0.9
85.02903	0.9
91.05495	2.3
92.05807	1.2
93.07043	0.7
93.39774	0.4
97.02882	0.5
98.21519	0.4
98.97615	0.7
105.03391	0.6
105.07043	0.7
107.04932	0.5
107.08619	0.6
110.97559	0.4
112.99141	0.4
116.42429	0.3
121.10128	0.6
127.03891	0.5
135.05540	0.4
137.05983	1.2
145.04913	0.4
147.04424	0.6
147.25513	0.4
154.42303	0.4
160.18701	0.4
167.06987	0.5
193.08626	0.5
194.09009	0.7
203.06934	0.4
204.02815	0.8
219.01778	0.6
220.07831	0.5
222.04041	0.6
225.14847	0.5
243.16013	0.6
246.67386	0.4
250.34785	0.4
252.56261	0.4
334.16199	0.4
334.20499	0.4
373.10468	0.6
399.45697	0.4
404.67166	1.5
405.17337	100.0
406.17502	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	405.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
53.86860	0.9
55.01877	2.4
55.05506	1.1
56.96569	0.9
61.60456	1.0
65.03945	6.2
67.05499	4.3
69.03426	4.3
69.07069	1.7
71.04964	1.0
71.33379	1.8
72.99084	0.9
78.40820	1.0
79.05489	8.5
81.03422	4.7
81.07059	4.3
82.04226	2.1
85.02915	6.0
85.03352	1.0
91.05493	6.3
93.03397	3.3
93.07052	2.9
94.04206	1.3
95.04978	4.0
95.08632	2.6
97.02915	2.2
97.06545	5.3
99.04457	1.0
103.05486	3.0
105.07033	2.4
106.04163	1.2
107.04964	17.3
107.05643	1.7
107.08596	1.6
108.02106	1.5
109.02904	1.4
109.06548	1.9
110.03663	3.4
111.04449	1.8
115.05460	6.1
117.07056	2.9
117.54076	1.0
119.04938	2.4
119.08618	2.2
121.02857	1.1
121.06528	2.7
121.10178	1.6
122.03645	2.6
123.04448	4.5
123.08106	1.6
124.05231	3.5
125.06001	4.6
127.03916	2.5
128.06247	3.4
129.07008	8.1
129.58282	1.0
131.04967	3.5
131.08540	1.8
133.06473	2.5
133.10161	2.1
135.07961	1.3
135.11714	1.4
137.05983	37.6
138.03172	1.7
139.03944	5.3
141.07002	1.2
142.02640	3.4
143.04982	4.7
144.05690	2.0
145.06494	5.0
147.04408	8.1
147.08087	1.6
147.11697	1.1
149.05943	2.3
151.03931	16.8
151.05029	1.5
151.07518	1.2
153.05443	3.6
155.05978	1.3
157.06499	10.4
159.04436	1.4
159.08086	1.4
160.05188	2.7
160.11221	0.9
161.05984	5.2
161.13278	1.6
163.03900	1.6
163.07571	2.5
165.05466	1.2
167.07051	46.6
171.04425	5.4
171.06586	3.1
172.05180	3.6
173.05986	3.8
173.91634	1.1
174.06787	2.5
175.07541	5.3
177.05576	2.1
179.07068	1.8
181.04967	100.0
182.05278	1.2
187.07545	5.6
188.04669	1.1
189.05467	3.0
189.09106	10.8
191.07062	4.2
193.08600	2.3
195.06555	4.0
200.04678	1.8
201.05510	1.8
201.09164	1.8
203.07024	14.4
203.08723	1.8
205.06906	1.8
205.08499	6.2
206.05748	1.7
217.08795	1.1
218.05762	3.2
219.06502	1.2
219.10078	5.6
221.08093	7.3
223.07277	0.9
231.08188	2.2
233.08089	39.5
234.06679	1.1
235.09645	2.8
245.08223	1.4
247.07610	1.5
249.09123	2.0
251.09167	3.8
263.09219	10.3
265.08835	2.2
277.08575	2.6
289.01782	1.8
291.10364	1.1
293.08112	1.3
302.11423	1.5
305.08307	1.4
307.09579	1.1
309.11255	2.7
316.09476	1.8
321.07993	1.1
325.10587	2.5
337.10681	5.6
339.12543	1.3
341.13791	2.4
342.11124	1.3
351.12332	3.2
357.13303	10.7
369.13190	6.8
375.14175	2.0
387.14420	30.0
387.19229	2.0
405.19571	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	405.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.5
51.02375	0.9
53.03712	0.4
53.03948	5.0
55.01863	0.6
55.05503	1.0
56.96550	0.7
65.03939	2.6
67.05511	2.2
69.03080	0.5
69.03432	6.1
69.07045	0.4
71.55057	0.6
77.03928	1.3
79.05490	1.0
81.03420	2.9
81.07054	1.0
83.04981	3.7
85.02895	0.4
91.05476	1.2
91.12769	0.3
93.03400	1.7
93.07030	1.0
95.04975	9.5
95.08605	0.8
97.02890	1.1
97.06516	0.3
98.97602	0.7
99.04475	0.5
105.03397	100.0
105.04549	2.5
105.07019	0.8
106.03696	0.7
107.04968	0.6
107.08568	0.7
109.02890	4.4
109.10180	0.4
111.03716	0.5
111.04449	6.6
113.06023	0.3
119.08544	0.4
121.02876	25.1
123.04437	1.7
125.05988	0.4
127.03917	4.5
129.07071	0.4
133.10152	0.5
135.04474	0.6
139.03917	2.2
147.04420	0.5
153.05499	0.8
181.04996	0.9
189.05504	0.6
231.06543	4.1
243.06557	0.5
249.07625	0.7
265.07166	0.4
267.09048	0.7
285.10165	0.4
405.22485	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	405.1377
Annotation	Gentiascabraside A
Peak:m/z	Relative Intensity
56.96541	3.8
57.03401	1.2
58.35372	1.0
61.02906	2.2
61.25404	0.9
69.03394	3.5
69.64731	3.8
69.65145	2.4
73.02887	1.3
75.24618	1.0
79.05460	1.0
81.03402	2.6
81.07034	1.3
81.21564	1.0
85.02902	8.1
87.04446	1.0
91.05466	1.6
95.04933	2.5
97.02852	3.1
98.97591	14.1
106.80582	1.0
107.04897	3.2
109.02862	1.1
112.99084	1.9
116.98574	4.0
119.08503	1.4
121.02856	10.8
123.04371	2.0
124.03912	2.2
127.03815	3.2
128.98590	1.2
134.75574	1.0
137.05923	2.4
139.03838	2.1
140.04610	2.2
145.04887	1.9
147.04329	1.9
147.07976	1.1
155.07005	2.2
158.99619	3.1
161.02930	1.4
165.05405	1.3
167.06979	1.7
169.05023	1.8
177.00644	3.8
181.04878	1.6
203.07037	1.9
207.06590	1.4
207.10100	1.7
215.05803	2.2
219.01640	3.1
225.07739	2.6
237.02715	3.5
243.08817	5.9
283.07742	1.9
317.08524	22.7
335.09732	3.5
373.12576	1.2
405.13461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02036	1.0
55.01850	1.1
55.05500	1.3
65.03946	6.5
65.13965	1.1
67.05494	3.8
69.03436	5.4
69.51724	8.9
70.00132	1.2
70.55161	1.1
79.05499	8.3
79.29413	1.3
81.03398	3.6
81.07043	2.9
81.27451	1.2
82.04206	1.7
85.02892	5.3
86.01942	1.1
91.05469	6.4
93.03407	2.1
93.06992	1.4
95.04958	3.4
95.08620	1.6
97.02883	2.1
97.06528	3.6
103.05444	1.5
105.07036	2.4
107.04970	18.0
107.08570	1.6
108.02102	1.2
109.06530	1.7
110.03651	2.9
111.04437	1.6
115.05457	5.0
117.06986	3.8
119.08532	2.2
120.21258	1.4
121.10162	1.7
122.03638	2.8
123.04389	2.7
124.05225	2.5
125.05991	4.0
127.03896	2.8
128.06223	2.6
129.07010	7.8
131.08549	1.3
133.06503	1.8
133.10176	1.7
135.04434	1.5
137.05986	31.4
138.03128	2.8
142.02603	2.6
143.04945	2.6
145.06473	4.6
147.08063	1.6
149.09621	2.0
151.03920	18.6
151.05064	1.0
153.05467	3.5
153.06610	1.3
155.04968	1.2
157.06467	7.1
159.04298	1.4
159.08055	1.4
160.05244	2.4
161.05994	5.0
161.13368	1.1
165.05510	1.9
167.07053	34.3
168.47232	1.4
171.04405	5.2
171.06563	2.4
172.05188	5.1
173.05946	3.3
174.06683	2.0
175.07524	5.1
175.99269	1.1
177.05511	1.3
181.04968	100.0
181.10344	1.7
187.07549	4.1
189.05519	2.9
189.07607	1.2
189.09082	7.9
191.07033	3.9
195.06587	3.7
199.09653	1.2
200.04642	2.3
201.05438	1.5
203.07013	11.0
203.17088	1.1
204.02930	2.6
205.08615	3.5
206.05797	2.0
209.15436	1.2
215.07088	1.6
218.05753	3.4
219.10062	1.6
221.06177	1.3
221.08046	5.6
225.14835	2.2
233.08098	39.9
235.09604	1.9
248.08347	1.5
249.09013	1.3
251.09235	4.1
263.09146	8.4
265.08466	1.6
267.50708	1.2
275.80920	1.2
277.08713	3.2
293.07971	1.7
301.06970	1.4
309.11133	3.0
325.10776	3.4
327.09283	1.3
337.10727	3.8
341.13889	1.4
351.12347	3.0
357.13446	12.2
369.13193	5.5
373.10141	1.6
375.14539	1.7
387.14481	26.9
405.16995	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	405.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
51.64426	0.2
53.03950	5.2
55.01868	0.5
57.44814	0.2
57.76554	0.2
64.96251	0.2
65.03947	1.7
67.05493	1.0
69.03087	0.3
69.03435	4.2
70.68600	0.2
75.61096	0.3
76.03819	0.3
77.03927	1.3
79.05476	0.4
81.03419	4.0
81.07067	0.5
83.01359	0.4
83.04976	1.2
85.02919	0.4
91.05492	0.9
93.03427	1.9
95.04976	13.0
97.02898	0.7
99.04472	0.4
101.02369	0.3
105.03398	100.0
105.04543	2.8
106.03739	0.5
107.05012	0.6
109.02875	2.6
111.04448	3.5
119.04945	0.6
121.02867	3.8
121.06536	0.3
123.04443	1.3
127.03928	3.8
133.06512	0.4
135.04405	1.9
137.06015	0.4
139.03925	3.9
141.05496	0.4
145.06593	0.3
149.06026	0.5
161.05815	0.3
163.03941	1.0
173.06044	0.4
175.07617	0.4
181.04959	0.6
189.05505	0.4
191.07050	0.3
203.07086	0.4
219.06606	0.6
221.08130	0.3
231.06541	0.9
237.07567	0.7
247.06110	0.3
249.07654	2.5
249.80397	0.3
265.07114	0.9
268.38803	0.2
367.80231	0.3
405.11957	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	50.7
56.47754	11.1
56.96557	23.2
57.03434	23.1
67.05500	93.4
69.07058	58.2
71.05034	12.8
71.08627	52.0
71.56682	15.3
79.05491	58.0
81.07066	100.0
83.04990	15.8
83.08618	46.0
86.81383	11.0
90.11121	11.9
91.05489	35.2
93.07046	75.3
95.04960	14.7
95.08600	44.2
97.06541	16.4
97.10168	40.9
99.08096	43.6
103.39461	13.9
105.07035	42.8
107.08575	38.5
109.10129	28.8
111.08079	20.1
117.07054	28.0
119.08543	24.6
121.10134	26.7
125.09628	24.8
133.10139	23.2
135.11699	15.3
135.79703	12.7
145.10092	15.7
149.13252	16.7
151.11223	14.5
159.11722	21.3
163.11165	14.9
173.11769	22.3
177.12779	25.8
179.14386	19.0
189.11230	22.3
195.13857	18.2
202.43597	13.8
215.05295	12.9
227.12787	21.6
229.14308	23.1
245.13814	22.2
269.17484	76.0
277.21600	32.8
351.25320	57.0
367.17935	17.5
387.00339	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	405.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06984	1.4
56.96563	25.0
68.19326	1.2
69.03433	3.4
70.73582	2.1
70.73930	2.8
71.95269	1.7
72.90250	1.8
81.07041	1.3
84.13335	1.3
84.96040	8.5
85.02907	4.4
91.05498	2.5
97.02873	3.5
98.97588	58.6
107.04948	10.7
110.97578	18.5
112.99168	3.1
113.07134	2.1
116.98624	18.6
119.08598	1.9
124.83837	1.3
124.99120	7.2
126.97025	2.0
127.03999	1.9
128.98633	14.6
131.00188	2.5
134.99680	3.6
136.92221	3.6
139.07529	1.6
140.98608	8.6
143.00182	20.2
144.98123	3.0
146.99670	6.0
147.08080	1.5
149.01314	1.4
152.98634	5.8
154.93233	5.8
158.99667	14.9
161.01208	17.6
161.06006	2.8
165.90691	1.4
169.04985	1.5
170.99629	9.5
172.92975	1.3
172.94208	8.3
174.96956	1.3
177.00705	9.0
179.02286	4.3
181.01746	2.9
182.99718	4.0
189.00755	5.1
190.95369	3.2
199.02800	2.2
201.00671	12.5
203.07079	3.1
205.00172	1.6
207.01723	2.1
207.10185	2.1
208.10693	1.8
214.95335	5.5
219.01776	75.8
221.08125	2.2
223.02843	2.9
225.11215	3.2
231.14690	1.4
231.29964	1.3
235.01303	3.2
237.02832	68.4
240.96904	2.4
242.03435	1.9
243.17087	2.3
244.96465	1.8
250.95415	4.3
253.03923	1.9
255.03891	2.7
260.97488	3.5
267.05402	1.7
268.96286	2.0
278.98566	3.6
280.96426	1.7
298.97449	32.3
299.00717	2.1
316.98526	87.9
317.08557	4.7
319.39600	1.6
325.05905	4.7
334.99655	6.2
335.10065	2.5
340.00082	3.4
343.07043	2.8
405.01678	55.3
405.13293	26.1
423.02728	100.0
424.02792	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	405.1162
Annotation	Apuleirin
Peak:m/z	Relative Intensity
55.05503	0.6
57.03436	0.6
63.74860	0.5
65.03941	0.5
67.05497	1.8
67.78463	0.4
69.03418	1.4
69.07072	1.0
71.04987	0.7
71.54755	0.9
79.05495	2.0
81.03398	1.1
81.07059	2.0
85.02895	1.9
85.06538	0.5
91.05495	2.5
91.79986	0.4
93.07040	1.6
93.54678	0.4
95.04971	0.8
95.08615	1.8
96.04513	3.5
97.02898	0.9
97.04826	1.3
97.06545	0.6
98.31980	0.4
98.97579	0.6
99.08067	0.4
102.28307	0.5
105.07059	1.0
107.04948	2.0
107.08597	1.5
109.02898	0.5
109.06541	0.7
109.10210	0.6
116.37462	0.5
119.08583	1.0
120.08938	0.5
121.06561	1.0
121.10139	1.2
125.06048	0.6
125.07277	0.4
127.03878	0.9
130.06494	0.8
131.04927	0.6
133.06552	0.7
133.10086	0.5
135.11658	0.7
137.06023	2.3
137.09641	0.6
139.11139	0.6
145.06453	0.5
145.10126	0.8
147.04468	0.9
147.08128	0.6
147.11748	0.6
149.09631	1.6
150.10016	0.8
151.03961	1.3
151.07550	1.4
153.05507	0.8
154.71381	0.4
159.11794	0.7
161.05980	1.0
161.09625	0.6
162.13730	0.5
163.11192	0.6
167.07062	3.0
171.11751	0.6
175.07555	0.7
181.05014	4.4
181.12262	0.6
183.06555	0.5
189.12769	1.2
190.13120	1.2
203.07068	1.0
207.13866	1.1
208.14162	2.7
209.08142	0.7
216.32292	0.5
225.14746	0.9
233.08170	1.9
233.83179	0.5
257.09219	1.1
369.13266	0.5
369.19327	0.5
387.14520	1.5
405.11584	100.0
405.24667	3.5
406.11856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05502	3.5
57.03440	2.3
57.07070	1.6
59.04984	2.5
61.02923	1.2
65.03928	1.5
66.79003	1.0
67.05489	3.2
69.03429	5.7
69.07061	3.1
69.70459	6.6
71.01370	1.4
71.04978	4.9
79.05497	6.9
81.03402	2.3
81.07063	5.4
83.04971	3.3
85.02912	13.2
85.06545	7.5
85.72675	1.0
87.04453	1.4
89.92094	1.3
91.05488	19.2
93.07042	6.0
95.04961	5.0
95.08607	7.4
95.83129	1.0
97.02869	5.5
97.06539	1.7
98.06071	1.4
98.20827	1.8
98.97549	1.7
99.04432	3.4
103.05483	1.6
105.03397	75.1
105.07037	41.1
106.03756	1.0
107.04950	3.7
107.08604	12.1
109.06518	12.2
109.10155	1.9
117.07000	4.6
119.08587	46.7
121.02885	1.7
121.06512	1.8
121.10163	12.0
122.07332	1.3
123.04416	3.0
123.08074	10.2
123.11676	3.0
127.03908	3.0
129.06992	1.7
131.08565	9.3
133.06464	3.6
133.10109	1.8
135.11726	3.0
137.05954	1.3
137.09595	9.1
137.96130	1.0
139.03885	1.5
140.07011	1.6
141.01907	1.7
143.08521	1.9
145.04988	1.5
145.10150	12.4
147.08067	3.4
147.11693	69.7
149.09639	17.4
150.10023	1.1
151.07526	3.8
156.09332	2.7
158.08141	5.3
159.11693	5.2
160.08847	1.3
161.13295	2.7
163.11189	9.2
165.12784	5.2
167.10692	10.6
168.61388	1.2
171.04865	1.6
171.11674	4.0
177.12753	8.7
179.07040	26.5
181.04909	2.0
182.05278	1.5
189.12758	51.9
190.13083	1.8
191.14317	5.0
193.08595	3.4
197.08089	20.4
207.06424	1.7
207.13811	100.0
208.14116	1.4
225.14844	10.8
265.48920	1.1
369.18921	1.6
404.16074	9.4
405.12094	2.0
405.17288	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03588	0.5
51.36323	0.5
67.05509	0.9
68.83336	0.6
69.03414	1.9
69.07066	0.8
69.63342	3.2
71.81946	0.6
79.05473	1.7
81.03425	0.8
81.07033	0.7
83.04987	1.6
83.08628	0.7
84.22412	0.6
85.02904	3.8
93.07047	1.9
95.04998	1.4
95.08616	2.9
97.02905	1.4
97.06518	1.4
98.97606	0.6
99.04468	0.7
105.07037	1.1
107.04906	1.0
107.08604	1.0
109.02872	0.6
109.06513	1.9
111.04447	0.9
111.95998	0.5
119.08555	1.3
121.06498	0.8
121.10149	4.1
123.08073	100.0
124.08415	1.2
125.06005	0.6
127.03872	0.8
133.06473	0.6
133.10091	0.7
135.11664	1.1
137.06056	0.9
144.64085	0.7
145.05019	0.6
145.10172	0.9
147.11702	1.0
149.09650	2.4
151.07457	0.7
151.11166	3.4
163.11163	1.6
165.12700	0.7
167.07123	0.7
167.10693	2.3
176.08299	0.7
181.12241	9.9
189.12749	2.1
207.10234	0.8
207.13770	4.7
225.14867	19.8
228.10188	1.0
252.71228	0.5
309.08765	0.5
404.13495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40071	1.2
51.54168	1.2
55.05508	2.9
57.03434	1.7
57.10509	1.3
59.04993	1.7
67.05510	1.9
69.03429	2.7
69.07063	3.4
70.81828	3.3
77.24924	1.3
79.07257	1.3
81.07061	5.8
83.04975	5.8
84.81487	1.4
85.02910	19.4
91.05501	3.6
93.07047	5.6
95.04974	2.9
95.08601	3.3
97.06544	1.6
98.97589	1.7
99.04459	1.5
105.07037	6.2
107.08609	8.8
107.80305	1.3
109.06527	12.8
109.10127	3.3
111.08086	3.3
119.08588	7.1
121.02833	1.4
121.10141	17.6
123.08072	5.7
123.11706	18.4
131.08571	2.3
133.10132	3.9
135.08087	1.7
137.09637	24.2
145.10101	2.0
147.11722	14.1
149.09619	5.9
151.07526	2.0
161.13278	7.0
163.11195	3.2
165.09077	2.4
165.12764	100.0
171.11642	2.8
174.10333	2.1
179.14297	8.2
189.12761	16.6
207.13821	46.9
225.14890	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31422	2.8
55.05503	7.5
67.05492	7.7
69.03419	9.1
69.07037	3.3
71.54293	4.0
78.46529	3.2
79.05488	12.1
81.03410	30.7
81.07036	10.8
83.04969	10.8
85.02894	8.1
89.06033	8.9
91.05474	12.1
93.07051	16.7
95.04964	6.1
95.08607	19.8
97.02893	8.3
105.07039	25.9
107.04949	12.8
107.08600	18.0
109.02913	4.0
109.06518	17.1
109.10152	7.6
117.07051	4.4
119.08586	27.8
121.06522	5.9
121.10165	23.2
123.08067	57.8
125.09593	3.7
131.08565	27.0
133.10114	10.6
135.06502	3.7
135.08041	4.4
135.11690	7.8
137.09592	10.4
137.13243	3.4
143.08611	4.3
145.10141	9.9
147.08003	4.8
147.11650	14.2
149.09605	30.1
151.07501	8.7
159.11694	9.3
161.09624	6.5
161.13220	18.5
163.11143	15.6
165.09125	100.0
165.12746	8.8
167.10692	11.0
171.11600	16.6
177.12700	6.1
179.14336	6.5
189.12735	48.0
195.13869	17.6
207.13823	85.4
225.11371	4.4
225.14865	92.6
299.66577	2.9
313.14923	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44225	0.7
55.01858	1.9
55.05507	1.9
57.03421	1.4
67.05502	1.8
69.03416	3.3
69.07046	0.8
70.90328	1.4
70.90688	2.0
79.05497	2.7
81.03416	1.5
81.07046	1.6
82.06554	2.4
82.70712	0.8
83.04961	1.3
85.02895	2.5
86.09681	1.0
91.05500	8.6
93.07037	2.1
95.04929	1.1
95.08606	1.2
98.97606	1.4
100.07609	2.0
105.07030	10.2
107.04939	2.5
107.08600	1.4
109.06519	1.1
109.10118	0.8
117.07012	1.3
119.04948	3.4
119.07797	1.5
119.08591	18.7
121.06518	1.5
121.10155	1.6
121.80848	0.9
123.04434	1.9
123.08050	2.5
128.06239	1.3
129.07037	4.6
131.08609	1.1
133.06427	1.6
133.10143	9.3
135.08044	1.6
137.09610	2.1
143.08565	8.2
145.10110	1.2
147.04417	2.8
147.08061	22.6
149.09636	0.9
161.05969	1.0
161.09630	9.6
163.11182	0.9
165.05499	2.6
165.09113	3.7
167.07027	2.0
171.08087	0.8
175.03902	1.1
179.10672	3.1
189.09053	5.0
189.12709	1.0
207.06543	3.2
207.10178	100.0
207.13766	4.0
208.10466	1.5
211.09679	1.1
224.03824	1.3
225.07536	2.3
225.11147	1.6
225.14876	3.0
268.07892	0.8
373.12640	0.9
404.16125	2.6
404.21634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76167	0.7
55.01870	0.9
61.67215	0.9
62.19886	0.7
63.32529	0.7
67.05517	1.1
69.28644	0.8
71.13290	0.9
71.13612	1.3
71.44324	0.8
85.02893	1.9
91.05490	2.1
97.52678	0.7
100.84688	0.9
103.05500	0.8
105.07033	2.3
107.04938	1.7
107.08612	0.9
109.06483	1.2
110.56602	0.8
115.05483	1.9
117.07035	1.7
118.99748	0.8
119.08591	1.3
121.06503	1.7
121.10134	2.0
123.08067	9.0
131.04889	0.9
133.06479	5.4
133.10101	1.0
137.09621	1.2
145.06491	2.3
146.07292	1.2
147.04449	1.4
147.08054	3.7
147.11623	1.0
149.06036	1.7
149.09624	10.4
151.07571	4.6
160.05165	1.0
161.05988	29.1
162.06654	0.8
163.07545	1.8
175.07555	5.6
176.08336	82.4
177.05482	3.2
177.09081	4.7
179.10776	1.2
181.12378	1.1
189.12793	3.7
192.07813	6.2
207.10176	100.0
207.13499	9.3
208.10497	1.3
209.11783	2.9
210.73839	0.8
225.14804	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.8
67.05505	4.1
67.15176	2.0
69.03449	1.8
71.04984	4.6
71.54831	3.6
79.05482	2.7
81.07059	8.7
83.04991	3.2
83.08654	3.0
84.04633	1.9
84.92339	1.9
85.02910	6.0
86.48665	1.7
87.04457	2.8
91.05485	7.4
93.07030	4.6
95.05004	4.3
95.08611	4.7
99.04445	9.5
105.07054	4.1
107.04976	2.6
107.08604	41.5
109.06506	7.1
109.10210	1.9
121.10169	11.1
123.08074	100.0
123.11693	9.7
125.05995	2.4
125.09641	22.3
131.08575	2.8
137.06001	2.6
139.11177	3.5
147.04411	8.8
147.11661	4.4
149.02342	4.1
149.09622	40.2
150.02731	3.9
151.07544	5.7
165.12737	5.4
167.07106	2.7
167.10709	13.0
183.13766	3.0
189.12782	7.3
207.13811	12.2
225.14871	76.9
382.15024	2.1
410.71014	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43855	4.1
53.03935	4.6
55.05507	9.2
56.96556	11.3
67.05489	14.0
69.03423	19.5
69.07039	4.9
69.91621	20.4
71.04998	8.6
72.08145	10.7
81.03413	14.1
81.07050	16.1
83.04949	11.7
85.02914	34.5
85.06551	5.7
86.09699	6.1
87.04475	6.8
91.05473	15.9
93.07033	17.8
95.04980	13.2
95.08601	9.8
97.02891	12.7
97.06496	6.9
98.21490	7.2
98.97597	53.7
99.04452	15.3
99.97932	5.9
105.07034	19.3
107.03188	5.5
107.08595	25.4
109.02870	4.4
109.06505	27.8
109.10123	12.4
110.97572	5.7
111.08089	6.1
113.06004	4.6
116.98606	8.4
117.06999	6.4
119.08558	13.0
121.02890	8.2
121.06513	16.0
121.10155	8.3
123.08071	6.5
124.03974	10.0
125.04317	7.9
127.03889	10.1
128.04254	4.6
128.98523	5.2
129.01886	7.4
129.06975	4.4
131.08559	6.5
133.10110	17.9
135.08063	13.2
137.09579	11.1
139.03944	4.9
145.04984	7.8
145.10106	7.4
147.08067	9.1
147.11693	7.7
149.05931	9.3
149.09598	11.0
151.11189	9.8
153.09073	11.4
158.99689	16.6
159.11711	4.5
161.05911	5.4
163.07475	4.7
165.09161	8.3
167.06998	20.7
167.14304	4.8
173.13257	4.4
175.11189	12.8
177.00778	9.8
179.10690	17.0
193.12245	36.7
201.12614	4.4
205.12163	13.0
207.10088	5.4
208.04927	14.7
209.15408	4.7
211.13249	8.5
219.01743	12.9
223.09474	5.2
223.13223	27.3
225.11313	8.1
227.05879	5.6
237.02863	5.8
241.14297	12.0
253.03764	11.2
269.08426	5.7
271.04932	14.5
289.57639	7.5
295.04840	5.2
295.46631	4.2
312.62418	7.8
321.12756	5.2
337.05753	6.4
343.10623	5.8
358.22372	4.4
371.91309	4.3
397.07846	19.6
398.08313	17.9
402.65564	9.6
403.15643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.8
57.03395	2.0
57.07058	5.1
67.05511	17.9
69.07072	93.2
71.38519	3.6
73.06541	8.8
79.05485	9.2
81.07063	24.7
83.08624	14.7
85.06582	2.3
91.05460	6.7
93.07044	9.9
95.04958	2.7
95.08614	21.5
97.06529	18.3
97.10164	11.0
99.08101	2.8
105.07017	8.1
107.08605	11.2
109.10151	9.6
111.08057	4.5
111.11716	8.9
115.07574	100.0
115.08386	4.8
119.08534	5.2
121.10140	15.5
123.44695	2.1
125.09589	3.1
129.01840	4.9
131.08524	2.9
133.08578	4.2
133.10115	6.8
135.11697	10.6
137.13348	2.5
139.11169	3.3
147.11693	4.3
148.72044	2.4
149.13293	3.0
151.14818	3.4
153.12785	2.6
161.13248	7.0
165.12914	2.7
167.06981	5.8
169.12202	2.3
175.14868	3.2
179.14273	2.6
193.08643	2.5
217.19473	17.6
229.14468	3.5
235.20529	20.5
243.27081	2.2
253.21655	16.6
322.58417	2.3
349.27515	3.2
367.28400	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	404.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38298	0.6
56.96565	13.8
57.07811	0.7
59.53840	0.6
67.05477	1.0
67.11617	0.7
69.25211	3.5
69.25642	3.2
69.72609	0.6
71.95263	2.4
80.73390	0.6
81.07072	0.9
90.72944	0.8
94.04179	1.3
96.98404	1.0
98.97588	100.0
105.33925	0.7
109.59680	0.7
116.98627	42.7
122.03662	3.7
134.99664	11.9
137.05984	39.0
138.06201	0.8
140.00197	6.1
153.00755	0.9
158.01234	1.6
179.00131	2.0
195.10968	0.7
197.01237	2.1
198.01985	1.2
199.06549	0.7
211.02811	0.7
220.00420	2.7
224.09615	1.2
226.11156	19.3
235.02783	67.0
235.91420	0.7
236.03047	0.8
238.01517	1.8
244.12198	6.2
253.03856	73.1
254.04031	0.8
267.13962	0.8
268.12198	4.4
271.04865	2.5
276.05496	13.1
280.12274	1.5
329.12848	0.8
344.15222	5.8
362.16354	1.9
404.17447	86.2
405.17719	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	404.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77341	0.5
60.54559	0.5
61.19441	0.5
62.06091	100.0
69.03438	0.7
69.52240	0.6
71.53648	0.8
130.17937	0.6
262.21793	0.6
277.27609	0.6
277.30991	0.6
315.64078	0.5
378.95374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25030	0.8
53.03953	1.6
53.96951	1.1
55.01866	2.4
55.05514	2.4
55.38501	1.2
56.91671	1.1
56.96559	1.2
57.03421	1.1
67.04240	2.9
67.05492	2.5
69.03423	4.7
69.07068	3.6
69.70895	5.6
70.06580	1.1
72.08178	2.1
73.02914	1.2
79.05484	3.8
81.03402	2.5
81.07053	1.1
82.06585	13.5
84.08154	3.1
85.02909	6.8
86.09707	14.3
89.67705	1.0
91.05492	10.9
93.07028	2.4
95.04957	1.5
97.02888	2.2
98.97601	4.9
100.07626	11.2
101.35688	1.0
103.05463	1.3
105.07040	11.6
107.04947	4.5
107.08559	2.1
109.06480	1.5
112.07552	1.4
114.09090	0.9
115.75335	1.0
117.07034	2.5
118.95483	1.0
119.04964	4.9
119.08591	16.8
121.06470	1.9
121.10170	1.0
121.33397	1.1
123.04444	3.2
123.08059	1.8
125.05898	1.5
127.03926	2.3
128.06183	1.1
129.07033	4.1
129.88986	1.0
131.08556	1.2
133.06541	1.2
133.10149	10.0
135.08058	3.9
135.11705	1.2
136.07558	2.4
137.05981	1.4
137.09612	2.8
139.03880	1.3
143.08557	9.2
145.04916	1.3
145.06450	1.6
146.31448	1.1
147.04407	2.6
147.08063	19.3
153.05408	1.1
161.06004	1.7
161.09619	11.4
162.05432	1.1
163.07436	1.3
163.11206	1.2
165.05457	2.8
165.09146	3.7
167.07063	4.8
167.10738	1.1
171.08047	1.2
175.03944	2.7
179.10696	5.3
182.08084	1.9
185.09650	1.1
189.09207	5.2
193.08641	2.5
195.14928	2.2
200.10698	1.5
202.12378	1.4
207.06808	10.8
207.10182	100.0
207.13698	4.0
219.01768	1.3
223.14481	1.1
224.03813	1.7
225.07625	4.8
225.11301	4.8
241.07631	1.0
246.11279	4.8
263.13928	5.1
295.16760	1.1
359.19894	5.4
376.22369	3.5
387.19238	2.4
404.16034	20.6
404.21771	11.9
405.17093	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	403.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05419	1.4
51.32027	1.6
53.03949	4.0
55.01864	1.9
55.05515	3.8
67.05511	3.9
69.03438	8.7
69.07071	2.9
69.84173	1.5
69.94388	5.9
71.04993	1.4
72.08150	3.2
77.15948	1.4
78.11190	1.4
79.05497	3.0
81.07080	2.2
83.04974	8.9
85.02920	5.8
85.06541	2.4
86.09711	4.5
91.05488	17.2
93.07050	58.6
95.04995	7.4
95.08597	2.8
97.06541	3.9
98.97597	4.5
99.04472	2.0
103.05447	2.9
105.07033	2.5
107.04933	3.1
107.08589	3.8
109.06509	1.6
111.08123	2.2
119.04929	1.6
119.08590	4.0
121.06515	96.4
127.07533	8.4
129.06966	2.0
131.08554	1.9
133.10146	1.6
135.08049	2.3
137.09639	3.6
139.07581	4.0
144.09340	2.0
145.10149	3.9
147.08066	2.4
149.05933	1.6
149.09657	5.6
155.10645	1.8
159.11731	9.7
161.09517	2.8
163.11238	2.5
165.09135	2.3
167.07152	2.5
175.11241	2.7
177.12717	3.9
179.10623	2.3
187.11206	4.9
205.12247	62.6
207.10266	3.5
223.13281	27.4
241.14386	2.4
331.73242	1.5
336.64560	1.6
344.23251	1.5
399.14026	1.6
403.15805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1578
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
53.03922	0.5
55.01868	0.6
57.03424	0.5
61.02922	0.5
67.05500	0.8
69.03423	1.8
69.07056	2.0
69.53398	3.6
70.06575	0.5
71.04980	0.5
73.02915	0.7
74.06074	1.2
79.05495	0.8
79.71842	0.5
81.03422	1.0
81.07048	1.0
83.04958	1.2
85.02921	2.8
86.09708	2.7
87.04452	1.0
87.87510	0.5
89.98327	0.4
91.05478	1.0
91.57325	0.5
93.07040	1.5
95.04982	0.8
95.08595	1.4
97.02885	1.4
98.21546	0.8
98.97572	2.1
99.04440	0.9
104.66176	0.4
105.07021	1.5
107.04975	0.9
107.08588	0.9
109.02886	0.8
109.06532	0.8
119.08560	0.8
121.02868	1.2
121.10117	0.9
123.08047	0.9
127.03919	1.3
131.08562	0.6
133.10168	0.6
135.08040	0.5
137.09599	0.9
145.10141	0.8
147.04387	0.6
149.09818	0.6
151.07549	0.6
163.11179	1.1
167.07007	0.8
177.12717	0.7
179.06967	0.5
179.10728	0.8
181.05009	1.7
205.12271	0.9
207.06575	0.7
207.10286	0.8
210.06479	1.1
211.49158	0.5
215.10277	0.8
221.08090	0.7
223.13269	1.8
224.47678	0.5
234.98877	0.5
237.02893	0.9
241.14447	1.4
243.05511	1.3
271.11548	0.6
291.03851	0.5
317.52783	0.5
333.07980	2.3
335.09528	2.2
386.16391	0.5
401.11090	1.2
403.15726	100.0
404.16394	1.2
421.14847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01866	1.3
55.05515	1.0
56.96567	0.9
67.05497	1.6
69.07055	0.8
69.92157	2.6
74.37240	0.8
75.46655	0.7
79.05495	6.9
81.03420	0.8
81.07056	2.1
91.05477	4.8
93.07047	2.4
95.08618	1.1
103.05448	4.3
105.04556	0.6
105.07039	23.1
107.04945	2.7
107.08617	1.0
107.34823	0.7
109.06525	1.7
115.05453	1.4
118.04149	3.7
119.04912	0.7
120.05753	1.3
121.06508	3.0
122.07291	1.5
124.05199	1.0
129.01862	2.1
131.04935	1.4
132.05727	0.8
133.06499	16.0
135.04411	1.5
135.08051	2.5
137.05986	6.1
139.03877	1.1
148.05219	1.0
149.06004	1.6
150.06746	6.4
151.07545	1.1
153.14340	0.7
154.06265	1.6
165.09132	18.6
167.07150	1.0
178.06264	1.5
179.07066	1.6
181.04976	3.8
181.08626	2.0
193.08620	100.0
194.09274	3.0
209.08110	2.8
210.08908	2.8
221.11763	0.7
231.66774	0.7
275.09827	0.7
294.13745	0.8
296.37912	0.7
365.17416	0.8
403.24838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05495	1.0
67.05499	1.6
69.03439	1.2
69.88898	3.6
74.21455	0.6
78.04699	2.0
79.05474	3.1
81.03398	0.7
81.07059	2.5
88.53264	0.6
91.05471	2.7
93.07043	1.7
95.04993	1.4
95.08626	1.2
103.05458	2.2
105.03365	1.1
105.07027	11.7
106.04199	0.9
107.04950	1.2
115.05445	2.9
117.07066	0.8
117.45823	0.7
118.04148	1.3
119.04987	0.8
121.06459	0.9
123.04412	5.2
124.05222	1.7
129.01862	1.2
131.04889	1.4
133.06497	11.4
135.04387	1.2
137.05977	1.1
143.06142	0.9
143.08560	1.0
145.10115	1.2
151.03868	1.2
152.04671	1.3
157.43542	0.8
161.05986	17.7
163.03966	0.9
167.07051	100.0
181.05028	1.1
181.08588	0.8
185.08197	0.9
193.06856	1.4
193.08612	25.2
211.09644	2.8
316.62119	0.8
324.39325	0.9
368.24527	0.7
403.24774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41011	1.1
55.01863	1.2
55.05489	1.9
56.96556	1.5
57.03417	1.8
61.02904	1.9
67.05493	3.9
68.99814	1.2
69.03431	1.9
71.20186	1.5
71.20519	2.1
73.34795	1.0
78.04689	1.6
79.05483	2.7
81.03387	1.9
81.07040	3.3
83.04989	1.2
91.05458	3.3
92.21025	1.2
93.07039	2.2
95.08562	3.6
97.02904	1.3
97.06542	1.6
103.05471	2.1
105.07045	15.2
107.04945	2.0
107.08613	1.9
109.10175	1.9
115.05434	1.6
119.08592	1.9
121.06483	1.4
123.04424	5.0
124.05180	1.4
125.06035	1.7
129.01816	3.1
133.06508	9.7
133.10083	1.4
145.10098	1.6
148.52829	1.2
149.05948	1.3
153.01871	1.8
161.05994	13.1
161.67950	1.0
167.07045	100.0
187.14836	1.2
193.08600	20.9
205.04965	1.5
211.09581	1.6
229.07460	1.7
296.60214	1.5
316.62000	4.5
385.23837	2.6
403.24655	4.9
403.29214	3.6
404.32327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	29.6
56.96558	16.9
57.03445	15.2
67.05506	93.8
69.07069	53.3
70.29844	12.8
70.30186	30.6
71.04977	10.1
79.05493	53.0
81.03415	15.4
81.07053	94.9
83.04995	10.7
83.08626	12.2
85.02903	15.3
91.05482	71.3
91.77152	10.2
93.07056	71.2
95.04983	18.2
95.08600	50.6
97.06552	20.1
97.10149	12.7
105.07033	44.0
107.04950	33.0
107.08599	60.1
107.90613	10.5
109.02815	16.7
109.10163	33.1
117.07019	17.3
119.08572	31.0
121.10165	20.7
123.11703	13.3
131.08574	35.4
133.10106	24.9
135.11685	20.8
137.05980	12.9
145.10138	13.0
147.11697	13.1
149.09673	16.5
149.13297	19.9
159.11705	27.0
161.13278	14.1
163.11107	11.6
167.07100	24.0
173.13266	18.8
177.12798	15.4
225.52858	9.2
227.12802	18.8
229.07501	25.2
247.08566	12.4
249.97484	10.2
255.13545	9.4
255.15837	51.2
262.54083	12.2
262.94028	9.4
269.10699	14.5
269.17514	100.0
275.06387	10.4
275.20068	46.5
286.20230	11.1
288.52179	11.3
296.10251	28.4
316.11548	56.5
349.23740	39.9
375.72983	10.4
402.17484	14.5
402.23291	10.5
408.15085	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	403.1366
Annotation	IRIGENIN TRIMETHYL ETHER
Peak:m/z	Relative Intensity
55.05495	0.7
67.05473	1.2
69.03398	1.1
71.04956	1.7
72.28896	0.6
79.05463	2.1
81.03412	0.7
81.07015	2.1
85.02863	2.4
86.09671	1.0
87.38284	0.6
91.05447	0.8
93.07005	1.8
95.08561	1.4
97.02840	0.7
97.06470	1.1
98.97562	1.0
99.04426	1.1
105.06985	2.0
107.04952	0.9
107.08564	1.9
109.10118	0.7
114.88902	0.6
121.02821	1.1
123.04388	0.9
123.08062	1.5
127.03889	0.7
131.08495	1.0
131.21216	0.6
137.05898	1.4
137.09404	0.6
139.03838	1.2
147.04402	1.6
191.03168	1.2
206.05510	25.9
207.06396	1.3
219.06277	0.8
223.13191	2.0
237.10681	1.0
241.14323	1.7
329.11838	0.7
355.11465	1.1
385.14380	2.3
403.13504	100.0
404.13812	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	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64471	0.3
55.01846	0.3
57.07074	1.6
59.05010	0.3
65.03931	0.9
66.03564	0.3
69.03439	0.5
69.38676	1.3
69.39099	0.7
70.70000	0.3
71.05000	0.3
73.02864	0.3
79.05505	0.4
81.03415	0.6
81.07048	0.5
82.49004	0.3
85.02898	1.3
91.05453	0.6
93.03416	0.5
93.07026	0.6
95.08603	0.5
97.02904	0.7
98.20827	0.7
105.03400	0.7
105.07039	0.4
121.02880	2.7
123.04403	0.4
127.03928	0.3
149.02350	100.0
150.02684	0.9
153.05505	0.3
156.10165	0.4
157.80719	0.3
159.03235	0.3
167.03384	0.9
190.05118	0.6
205.08618	3.4
223.09659	12.6
276.07819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75826	5.9
53.03938	9.8
55.01871	8.7
55.05497	26.4
56.96556	14.9
57.03431	14.6
67.05508	100.0
69.03420	9.6
69.07069	40.9
69.87115	31.1
73.58322	6.6
78.93418	6.7
79.05504	61.5
81.07053	78.0
82.95712	7.2
83.04978	15.8
83.08610	22.7
83.34413	6.6
91.05484	72.8
91.54599	6.0
93.07050	71.1
95.04941	11.5
95.08611	45.8
97.06524	16.4
97.10181	13.9
98.97582	8.5
99.08143	6.7
105.03451	7.5
105.07033	43.9
107.04957	12.8
107.08602	49.6
109.06502	8.6
109.10181	38.4
111.08060	19.5
114.52869	6.5
117.07022	16.9
119.08611	33.5
121.10114	25.9
125.09631	22.3
129.06943	11.0
131.08556	23.2
133.10152	33.5
135.08040	9.8
135.11676	17.3
137.09633	9.6
145.10098	24.1
147.11693	12.0
149.09593	17.1
149.13235	7.4
156.87245	7.6
157.10094	10.9
159.11671	18.1
161.05969	6.8
161.13391	9.1
163.11140	14.2
167.07011	20.6
173.11824	10.2
173.13228	9.5
177.12833	10.8
185.13228	7.1
189.11246	10.0
227.12721	12.9
229.07542	19.2
229.14258	33.5
245.13712	7.0
247.08607	10.5
250.42943	7.3
255.15953	32.7
269.17505	52.6
275.20187	36.6
296.10129	13.6
316.11652	16.6
316.61868	13.7
349.23755	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69930	0.8
53.03940	1.3
55.05515	1.8
56.96560	1.2
57.03441	1.1
57.07055	1.7
60.04530	1.2
61.25048	1.0
61.49003	0.9
65.03939	1.9
67.05182	1.1
67.05508	13.4
69.03419	3.7
69.07054	1.7
70.02952	4.4
71.05003	1.2
71.54340	1.2
72.63192	0.9
75.04480	1.2
79.05491	7.7
81.03407	2.3
81.07064	20.5
83.04970	2.4
85.02907	5.7
86.03249	1.0
87.04460	1.1
88.03994	24.6
91.05488	7.4
93.06562	1.2
93.07052	12.8
94.07381	3.4
95.04964	11.8
95.08619	6.6
96.08940	1.1
97.02880	3.7
97.06520	1.0
98.97592	3.8
99.04451	1.3
101.05994	2.1
105.07033	6.1
107.04961	2.3
107.08606	9.1
109.02843	1.1
109.06525	20.7
109.10159	16.7
112.03947	1.7
113.02378	8.1
117.32963	1.0
119.04930	3.0
119.08595	1.4
121.02832	1.3
121.06489	1.4
121.10168	7.0
122.10471	4.9
123.08067	2.0
123.11718	19.1
127.03909	2.8
130.05011	36.7
131.04895	1.5
133.10144	14.9
139.03914	1.0
145.04984	1.1
146.06093	5.6
147.04416	9.8
148.06056	100.0
149.09618	2.2
150.10010	1.0
151.11194	41.8
153.05481	1.1
165.12727	2.0
166.13033	1.5
167.07098	1.2
167.10709	0.9
174.05452	4.7
176.17410	1.0
177.12769	1.3
181.04808	1.0
192.84448	0.9
240.16734	3.4
251.07983	1.1
252.05397	6.8
300.08655	2.7
316.08893	1.9
331.11295	2.4
384.15350	2.0
399.12979	1.0
402.21927	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	402.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.8
56.99390	0.4
57.03449	0.6
61.76638	0.4
69.03431	2.1
70.06609	0.8
71.04990	1.0
71.06568	1.2
72.08128	0.6
73.02880	0.7
83.04967	0.7
85.02898	3.9
87.04462	0.9
89.06055	2.4
97.02890	2.5
98.97590	1.8
100.07616	0.6
107.04282	0.5
107.04955	1.5
109.02856	0.8
116.98627	0.8
124.03960	0.8
126.28489	0.5
127.03915	1.2
145.04996	1.2
150.52531	0.4
163.03934	0.9
184.05925	0.9
217.99634	0.5
219.01784	0.8
258.00919	0.6
259.07999	1.3
266.72754	0.5
279.11801	0.6
372.12564	3.9
384.12842	1.2
402.13721	100.0
403.14493	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84517	3.5
53.03933	6.8
55.01860	5.4
55.05511	24.9
57.03436	10.1
57.07066	9.5
59.04987	4.8
61.02911	3.8
65.80178	4.0
67.05499	25.7
69.03427	19.6
69.07076	30.0
71.04992	37.8
71.54292	6.2
73.06567	6.2
74.30075	3.7
79.05495	34.0
80.97873	3.8
81.03410	12.4
81.07057	96.3
81.48051	3.7
83.04978	4.8
83.08618	16.0
85.02914	46.3
85.06535	7.5
88.05976	3.5
91.05487	29.8
92.46245	4.1
93.06493	4.3
93.07052	71.4
93.99255	3.6
95.04954	7.8
95.08611	61.0
97.02894	15.0
97.06512	10.4
97.10197	5.4
98.97583	7.2
99.08083	10.6
105.07034	55.4
107.04959	6.1
107.08604	78.8
109.02891	6.5
109.06520	9.0
109.10167	56.9
111.08131	6.3
111.11700	5.4
117.07008	5.3
119.08588	58.7
121.06470	4.9
121.10146	46.2
123.08118	7.2
123.11727	35.6
125.09634	13.7
127.03928	7.1
127.11193	32.1
129.05605	4.0
129.06897	4.2
131.08615	8.7
133.04916	5.5
133.10126	49.1
135.08052	7.7
135.11688	100.0
137.09537	6.3
137.13243	15.2
143.08514	4.9
143.10721	22.2
145.10110	16.8
147.11722	23.2
149.09622	7.8
149.13234	22.6
153.12766	14.9
157.10121	9.0
159.08061	5.7
159.11670	11.4
161.09607	5.0
161.13232	18.2
163.11171	4.3
164.28755	4.3
165.12805	8.7
167.07028	7.6
171.11690	7.8
175.11168	6.7
175.14886	6.7
185.13281	5.1
189.12772	5.9
193.15793	5.9
203.17981	46.8
205.19606	12.5
221.15408	5.4
221.19008	29.6
223.20624	5.5
239.16287	8.4
247.09694	5.0
301.25226	3.9
311.20038	4.8
315.08600	6.4
330.10986	5.3
338.26086	4.0
347.21948	5.0
351.12207	5.3
378.08032	7.1
383.15381	5.5
383.24408	7.5
401.11758	4.9
401.16699	9.9
401.28226	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	401.2537
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
53.03946	8.0
55.01892	6.5
55.05514	29.6
57.03421	8.8
57.07078	15.2
67.05518	30.3
69.03419	18.7
69.07080	42.8
69.69509	33.8
71.04993	36.1
73.02918	8.0
79.05473	26.4
81.03416	14.4
81.07069	100.0
83.04976	12.1
83.08620	25.0
85.02922	36.5
85.06535	8.3
91.05477	20.8
93.07053	62.7
95.04985	12.7
95.08611	98.0
97.02880	13.6
97.06530	10.7
97.10146	11.5
99.08115	17.2
103.03985	5.1
105.03400	28.6
105.07023	44.0
107.04987	8.5
107.08613	85.1
109.02905	6.3
109.06499	6.5
109.10156	71.7
111.08119	8.0
111.11710	9.4
119.08578	60.7
121.06530	7.4
121.10143	40.9
123.04451	7.4
123.08066	11.5
123.11716	57.5
125.09620	16.8
127.03983	8.5
127.11207	20.3
128.06223	6.3
131.08585	13.8
133.04961	7.5
133.10179	38.6
135.11705	99.0
137.05891	7.1
137.09654	6.8
137.13245	17.7
143.10721	32.9
145.04988	7.4
145.10097	14.0
147.11697	33.4
149.13258	31.1
151.11139	9.2
153.05554	8.2
153.12762	8.6
157.10100	15.8
159.11758	14.5
161.13251	22.8
163.11276	7.5
165.12814	6.5
167.07024	13.8
181.04958	6.0
201.12866	9.0
203.18005	51.0
205.19560	21.6
219.10138	9.3
221.19025	44.6
234.49962	6.7
239.20102	9.4
315.08661	11.4
330.10846	12.0
347.22147	7.9
365.23346	9.4
365.97708	7.0
383.14960	12.5
401.15976	15.7
426.07822	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	401.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56008	0.3
69.03390	0.4
69.76548	1.7
75.35914	0.3
83.05005	0.3
85.02901	0.3
88.76092	0.3
97.02881	0.3
98.20802	0.4
99.46122	0.3
139.11122	0.6
141.15939	0.3
177.05490	1.5
227.05376	0.5
239.97632	0.3
301.12540	1.1
343.13669	5.1
401.17838	100.0
402.18231	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.4
61.02915	0.3
67.05494	0.5
69.03414	1.4
69.07059	0.6
69.23554	1.6
69.23980	1.4
72.25992	0.3
78.76540	0.3
79.05477	0.7
81.03413	0.8
81.07041	1.3
85.02914	2.4
91.05486	0.5
93.07039	0.9
95.08590	1.1
97.02887	0.8
98.20717	0.8
103.05508	0.3
103.79276	0.3
105.07020	0.5
107.08577	1.1
109.02911	0.6
109.10145	0.9
116.86761	0.3
119.08589	0.9
120.05103	0.3
121.10146	0.6
127.03948	0.4
131.04855	0.3
133.10143	0.6
135.11693	0.8
147.11711	0.6
160.46368	0.3
203.18008	0.5
221.19107	1.6
227.02325	0.3
239.20023	0.8
240.36101	0.3
254.04810	0.7
296.09921	1.2
305.10471	1.0
313.16238	11.7
316.61240	0.6
386.18445	0.3
401.21478	100.0
402.21808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01865	2.1
55.05506	9.1
56.96550	2.6
57.03440	3.2
57.07077	3.5
67.05507	8.9
68.02953	1.3
69.03436	13.9
69.07079	8.2
69.37206	11.0
71.04996	4.5
73.06561	7.9
75.04463	3.0
75.75166	1.6
79.05500	44.1
81.03425	10.1
81.07061	16.2
85.02913	18.4
87.04417	1.7
89.79327	1.4
91.05483	26.3
93.07050	100.0
95.04976	5.1
95.08623	11.8
97.02909	8.4
97.06536	5.8
98.97611	8.2
99.04454	3.3
99.08091	1.8
101.06001	2.8
102.71524	1.6
103.05456	2.0
105.03374	2.0
105.07038	17.6
107.04944	5.9
107.08604	44.5
109.02883	4.8
109.06516	2.3
109.10174	7.1
111.08076	5.0
115.05388	1.9
116.98603	2.1
117.07030	1.7
119.04940	4.9
119.08583	11.0
121.06483	2.2
121.10152	82.5
123.04426	2.5
123.08040	3.8
123.11720	5.4
127.03905	7.5
129.06969	2.2
131.04910	3.3
131.08606	8.1
131.93819	1.5
131.94833	1.7
133.06532	1.8
133.10109	5.1
135.08003	1.9
135.11691	5.8
137.05949	2.9
137.09525	1.5
139.11182	4.8
143.08582	2.6
145.04889	2.7
145.10199	2.2
147.04416	15.8
147.11726	4.5
149.06003	2.4
149.09625	17.4
149.13341	2.7
151.07500	2.6
151.11153	1.8
153.01904	2.7
153.12791	2.4
158.99629	1.6
159.08080	2.2
159.11688	2.4
161.06094	1.7
161.09697	2.2
161.13312	1.4
163.03873	2.3
165.05569	3.9
167.07071	8.8
167.10696	12.5
177.00865	1.4
177.05418	3.2
181.04930	1.8
182.84863	1.5
203.17984	5.1
217.08632	3.0
219.08052	1.6
221.15320	2.5
221.19034	7.4
231.04376	1.9
247.07526	2.6
263.11304	1.8
269.08008	2.1
282.08807	2.4
287.05829	2.0
291.10245	2.5
293.13998	3.1
307.09662	1.9
311.14868	11.0
315.08566	5.9
330.11002	7.6
358.13446	1.8
371.15057	2.5
383.15091	7.5
401.12042	4.8
401.16766	3.5
401.21658	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
54.03394	1.4
55.01867	2.1
55.05505	2.4
55.06274	1.2
56.96559	1.7
57.03431	1.8
67.05489	3.1
69.03411	5.6
69.07065	3.6
69.24018	1.4
69.24322	13.4
71.04988	1.9
78.04710	1.4
79.05496	13.4
81.03399	5.5
81.07061	12.8
83.04975	3.1
83.08615	1.5
84.95998	1.6
85.02907	9.1
85.06523	1.5
91.05496	8.9
93.07050	8.8
95.04948	5.1
95.08605	6.7
96.21156	1.3
96.46439	1.3
97.02883	3.0
97.06523	4.6
98.97587	3.5
99.08089	2.0
103.05449	4.8
105.03422	2.6
105.07043	8.8
107.04285	2.3
107.04953	22.2
107.08604	5.6
109.02870	3.2
109.06510	2.3
109.10155	5.9
109.74043	1.3
111.08070	2.0
113.09692	1.8
115.05417	3.2
116.06235	2.2
117.07027	3.6
119.08581	10.7
121.06522	3.3
121.10139	7.9
123.04409	3.5
123.08082	1.6
123.11631	2.1
124.05214	5.3
125.06010	1.5
127.03882	3.3
128.06172	2.2
129.06993	5.3
131.04919	9.4
131.08575	9.0
133.06454	1.6
133.10115	5.0
135.04408	2.0
135.11664	3.0
137.06023	2.9
137.09576	1.4
137.13280	2.1
141.06961	4.3
144.05669	4.6
145.04918	2.3
145.06438	5.6
145.10091	2.9
147.04437	2.5
147.11673	6.1
149.05957	1.5
149.09642	1.6
152.04701	2.1
153.01804	5.2
156.05623	7.9
157.06468	2.5
157.10107	3.8
158.99628	1.9
159.08081	11.2
159.11681	3.8
161.05931	2.9
163.03876	2.4
163.07562	1.5
167.07050	73.0
169.06410	2.3
171.11746	2.3
172.05170	1.8
173.05984	4.9
173.09598	1.9
175.14780	1.4
177.05446	2.6
179.07095	2.1
181.04958	3.2
181.06459	1.7
181.08607	2.5
184.05161	2.1
186.06702	4.4
187.07556	9.7
189.07045	1.9
190.07840	1.5
191.06984	2.2
191.08559	1.9
193.06508	1.6
195.06604	2.4
202.06163	2.2
202.07832	2.6
203.08554	2.1
203.17931	3.8
205.08531	12.2
205.10158	1.8
206.07217	1.7
207.06531	4.5
208.05186	18.6
208.08746	1.7
209.05919	1.6
209.07935	2.2
215.08650	2.8
217.08600	21.5
218.07205	5.2
219.08040	10.4
219.10150	6.4
220.08813	3.5
221.05989	4.6
221.09637	1.9
221.18980	5.4
229.08560	5.7
230.07237	2.8
231.08029	6.4
231.10043	2.5
232.08937	2.9
233.09619	3.5
234.06790	2.8
235.07452	2.7
236.04823	6.5
236.08400	3.3
238.06215	1.7
239.07002	2.5
239.16405	2.0
239.19846	1.5
241.08522	2.0
245.05788	2.3
245.09535	3.0
246.06622	2.2
247.07489	11.3
247.09702	13.9
248.08377	9.9
249.05389	2.8
249.09151	4.3
250.06256	2.3
251.10651	2.6
254.05791	11.0
255.06458	2.2
256.07361	1.7
257.04446	1.5
259.07349	1.4
260.08304	3.4
261.09143	4.5
262.09851	4.4
263.07007	3.3
263.10672	10.2
264.07828	4.9
265.08585	4.5
267.06470	6.3
268.03665	3.3
269.08090	27.0
271.05890	1.4
271.09610	6.1
272.06760	3.7
275.06799	6.4
276.07819	7.4
277.08627	4.2
279.06635	1.5
279.10074	8.4
281.08090	1.8
281.11664	1.5
282.05524	2.8
282.08832	11.9
287.09174	3.5
289.08685	1.8
290.09274	3.8
291.10123	13.0
292.07266	3.9
293.08032	8.3
293.11127	1.7
294.08817	1.4
295.09625	1.5
296.10434	1.8
299.09094	3.3
300.06479	2.6
300.09851	1.7
301.07098	3.8
305.08023	2.8
306.08926	1.4
307.09637	11.3
308.10361	6.8
309.07581	1.7
309.11066	3.0
310.08240	5.1
311.12671	3.3
313.10779	1.6
315.08624	91.0
316.08978	2.7
319.09674	6.3
321.07510	3.7
322.08383	2.3
322.11929	1.5
323.09363	2.6
323.12747	12.7
324.09857	3.1
325.10654	2.2
328.09378	6.4
330.10968	100.0
331.11737	11.5
335.09235	2.2
336.09814	3.8
337.10776	5.5
338.07687	1.7
338.11322	2.0
339.12344	10.9
343.11777	16.8
351.08160	2.0
351.12332	24.7
352.13022	3.5
353.10184	6.5
356.12506	2.9
365.23264	1.8
368.12622	7.6
369.13168	5.3
371.14835	6.8
383.14899	68.5
384.15414	1.8
391.65186	1.5
401.16125	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
53.50388	1.1
55.01866	1.4
55.34395	1.0
57.03435	1.3
63.02391	1.2
65.03934	1.6
67.05510	2.7
69.03425	2.5
69.07055	1.2
71.57349	1.5
78.04696	1.1
79.05492	12.1
81.03420	1.8
81.07062	3.9
83.08596	1.4
84.14498	1.0
91.05479	6.6
93.07042	2.3
95.04974	3.3
95.08607	3.1
103.05453	2.2
105.03390	4.7
105.07025	4.2
106.04182	3.1
107.04963	27.0
107.08581	2.3
109.06529	1.3
109.10136	1.7
111.28343	1.0
115.05451	4.4
116.06269	1.8
117.07045	2.4
119.08588	2.0
121.06484	1.9
123.04452	5.4
124.05177	6.1
125.05968	2.6
128.06223	1.9
129.07005	5.0
131.04932	2.3
131.08571	7.8
132.05693	1.7
133.06470	2.0
133.10117	1.4
135.04503	1.7
135.11732	2.2
137.05995	1.4
141.06984	3.5
144.05692	5.0
145.06435	5.7
146.03635	1.2
147.04410	1.4
151.03952	2.8
152.04649	3.7
153.05476	1.9
156.05676	10.6
157.06435	1.4
158.07254	1.3
159.08058	11.2
161.05984	2.8
163.03944	4.2
165.05525	1.1
165.07033	1.8
167.07045	83.2
169.06387	1.4
170.01485	1.1
172.05232	1.8
173.05959	5.3
173.13214	1.2
177.05507	1.3
178.07753	1.3
179.07051	2.3
179.08569	1.2
181.03539	2.0
181.04994	6.4
181.06442	1.5
181.08548	3.0
183.08144	1.1
184.05176	2.2
186.06810	3.3
187.07516	8.6
187.46434	1.2
189.05521	1.5
189.07095	1.0
189.09242	1.8
190.06235	2.0
190.07838	1.8
191.07068	2.7
191.08629	1.7
193.08603	2.3
195.06519	2.6
199.04520	2.0
201.09059	1.6
202.06256	5.6
202.07880	2.1
203.08598	1.5
205.06598	2.6
205.08582	14.7
205.10336	1.6
207.06453	4.5
207.08200	1.3
208.05231	21.1
208.08749	2.3
209.07930	1.5
210.06761	3.2
215.06851	1.6
215.08728	1.9
217.06529	2.2
217.08595	31.3
218.07338	3.1
219.08076	9.7
219.10204	3.7
220.08827	4.3
221.06070	5.1
221.09673	1.5
221.19000	1.2
222.03209	1.4
222.06612	1.5
225.05482	1.9
226.06223	1.6
227.06944	1.7
229.08589	5.0
230.07217	1.7
231.08046	8.6
231.10063	1.9
232.09001	1.7
233.06026	1.7
233.09673	4.0
234.06721	2.2
235.07574	3.2
235.11177	1.7
236.04733	9.3
236.08286	2.4
238.06235	1.7
239.07021	3.0
240.04227	2.5
241.08557	1.8
245.09692	3.4
246.06918	2.2
247.07501	12.3
247.09709	17.7
248.08298	10.8
249.05469	3.0
249.09113	2.8
250.06245	2.1
251.06960	1.6
251.10658	2.5
253.08556	2.0
254.05809	8.9
256.07269	1.4
259.07526	3.0
260.08249	2.4
261.08960	5.6
262.09760	3.6
263.07040	3.3
263.10638	8.3
264.04315	2.0
264.07822	5.6
265.08582	5.1
266.05884	1.8
267.06592	7.2
268.03583	2.9
268.11182	1.7
269.08051	25.3
271.06204	2.1
271.09631	8.1
272.06857	5.0
275.07208	9.2
276.07785	7.8
277.08591	4.9
278.05902	1.1
279.06967	1.4
279.10165	7.3
281.08191	2.5
282.05307	3.9
282.08896	13.1
283.06119	1.9
284.06943	1.4
285.07681	1.8
287.09128	3.5
290.09283	3.9
291.10129	12.6
292.07285	4.3
292.10626	1.8
293.08105	10.8
297.11017	1.2
299.08981	2.6
300.06464	2.7
300.10031	1.5
301.07068	3.4
304.07281	2.4
305.08090	3.7
306.09009	1.3
307.06406	1.3
307.09647	11.2
308.07336	1.2
308.10263	5.9
309.07571	3.6
309.11215	3.2
310.08365	7.9
310.11401	1.3
311.09100	1.5
311.12656	2.2
315.08624	90.8
316.09149	2.4
319.09598	8.0
320.10544	1.9
321.07584	4.6
321.11136	2.0
322.08417	2.5
322.11969	2.4
323.09293	2.5
323.12790	12.8
325.10632	1.4
328.09390	3.8
329.10556	1.2
330.10974	100.0
331.11707	10.6
332.94321	1.2
335.08920	2.3
336.09964	4.6
337.10715	5.7
338.07712	1.3
339.12219	7.6
341.10214	1.6
343.11746	16.2
350.11490	2.2
351.12280	23.1
352.12930	4.9
353.10168	6.7
356.12607	2.6
359.11728	1.3
368.12433	7.8
369.13126	4.1
371.14969	6.8
373.12952	3.1
383.14902	69.8
384.15289	1.5
400.71481	1.9
401.11496	1.7
401.16327	18.6
401.22150	1.5
401.23187	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
53.07145	0.8
55.05502	1.2
65.03922	1.1
66.32710	0.8
67.05492	2.2
68.17357	0.9
69.03434	1.0
69.07050	1.0
71.04972	1.3
71.57153	1.4
75.09788	0.8
78.04699	2.3
79.05065	1.0
79.05500	12.1
81.07042	3.2
85.02901	1.9
91.05484	6.8
93.07037	2.4
95.04963	3.7
97.02828	1.0
98.97556	1.6
103.05426	2.0
105.03380	2.4
105.04470	1.0
105.07018	3.4
106.04163	1.6
107.04959	27.5
107.08579	1.5
109.02928	1.1
109.06508	1.7
109.10149	2.5
110.68483	0.8
115.05458	4.3
116.06171	2.6
117.07018	2.6
119.08543	1.1
121.06486	2.8
123.04423	5.2
124.05209	6.1
125.05970	2.5
128.06190	3.0
129.06989	6.1
131.04916	2.3
131.08569	9.3
132.05693	1.3
133.02776	1.0
133.06499	1.1
133.10141	1.0
135.04419	1.3
137.05943	1.8
141.06990	4.4
144.05714	6.6
145.06494	5.7
147.04422	1.7
148.05171	1.0
149.06013	1.2
151.03935	3.3
151.07484	2.1
151.11198	1.3
152.04680	2.7
153.05460	3.0
155.06030	1.5
156.05696	12.1
157.06511	4.4
158.07239	1.2
159.08055	12.0
161.05971	3.3
163.03893	3.8
165.07002	2.1
167.07045	79.3
168.07335	1.1
169.06413	1.0
169.07652	2.3
170.07294	1.5
172.05209	1.2
173.06006	3.2
174.03178	1.1
175.07469	1.4
177.05495	2.0
179.07027	2.6
179.08505	1.4
181.03561	0.9
181.04947	4.5
181.06415	1.6
181.08560	2.4
182.07242	1.0
184.05266	2.5
186.06738	2.0
187.07552	7.6
189.05458	1.8
189.06984	1.5
190.06306	2.0
190.07695	1.6
191.06987	3.2
191.08437	1.8
193.08629	2.3
193.10553	1.0
193.12244	4.6
195.06512	3.1
195.08119	1.1
196.56659	0.9
197.05952	1.8
199.04465	1.1
200.08145	1.4
201.09117	1.5
202.06221	5.4
202.07906	2.6
203.08577	2.9
204.07779	2.2
205.06572	2.2
205.08534	13.7
205.10091	1.0
207.06523	4.2
207.08266	1.5
207.10088	1.5
208.05202	23.8
208.08817	2.2
209.06081	1.3
209.07980	1.8
210.06796	2.3
211.07483	1.7
215.06891	2.0
215.08789	1.9
217.08586	30.0
217.10660	1.5
218.07346	5.1
219.08026	10.6
219.10214	5.0
220.08946	4.3
221.06009	6.4
221.09618	1.9
222.03052	1.4
223.07388	1.3
225.05412	1.3
226.06331	1.9
229.08626	4.5
230.07269	2.0
231.08043	6.1
231.10179	2.4
233.05923	1.7
233.09697	5.2
234.06676	2.0
234.10339	1.1
235.07512	4.0
236.04652	9.3
236.08311	3.4
238.06224	2.0
239.07085	1.9
240.04219	2.8
241.08557	1.8
245.09651	2.5
246.06728	2.0
247.07481	12.5
247.09697	19.0
248.08315	12.5
249.05438	2.8
249.09055	3.0
250.02557	1.3
250.06334	1.5
250.10077	1.4
251.07059	1.0
251.10703	2.1
253.08685	1.2
254.05759	12.6
255.06477	2.0
256.07144	1.7
257.04395	1.8
259.07507	3.9
260.08142	1.2
261.09052	6.0
262.06375	2.2
262.09824	4.5
263.07062	3.7
263.10678	7.7
264.08044	5.0
265.08621	4.5
266.05661	1.7
267.06482	6.3
268.03647	3.6
268.10959	1.7
269.08072	27.7
270.08386	1.2
271.06082	1.8
271.09634	6.9
272.06747	5.4
275.07065	7.4
276.07761	8.5
277.05396	1.0
277.08545	4.7
278.09302	2.0
279.06906	1.8
279.10172	8.4
280.11035	1.2
281.08032	2.9
282.05228	5.1
282.08841	16.5
284.06854	1.6
285.07526	2.2
286.04834	1.1
287.09225	2.6
289.08517	2.0
290.09253	6.3
291.06946	1.1
291.10165	14.9
292.07404	4.3
292.10629	1.1
293.08066	8.6
294.08868	1.8
295.06238	1.1
295.09521	1.2
296.10602	1.2
297.07605	1.2
299.09119	2.8
300.06290	2.8
300.09604	1.1
301.07101	2.7
304.07562	1.5
305.08051	4.9
305.11465	1.5
307.06485	1.4
307.09656	11.1
308.10208	5.7
309.07617	1.4
309.11026	2.1
310.08350	6.5
311.12680	2.2
313.10709	2.4
315.08627	95.4
316.09149	2.8
318.09042	1.3
319.09756	7.0
320.10226	1.6
321.07529	3.7
321.11185	2.5
322.08545	1.9
323.09024	2.3
323.12683	13.7
324.09924	1.8
325.10645	1.6
327.08255	1.3
328.09335	4.3
330.10980	100.0
331.11719	10.1
335.09094	1.6
336.09848	4.6
337.10748	6.4
338.07526	1.4
339.12271	11.1
341.10333	1.6
343.11768	18.4
345.13559	1.3
351.12256	24.2
352.13000	4.1
353.10138	6.8
356.12527	3.9
368.12634	7.4
369.13257	5.4
371.14902	6.3
373.12616	1.7
383.14890	63.2
401.12054	2.2
401.16199	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Gomisin R
Peak:m/z	Relative Intensity
52.26920	1.2
53.03948	2.9
53.13359	1.1
57.15545	1.2
58.69306	1.1
67.05495	1.7
69.07059	1.3
71.29978	1.5
78.31650	1.1
79.05492	10.3
81.03413	2.9
81.07045	5.0
85.02905	1.5
87.54005	1.2
91.05484	5.5
93.07005	1.7
95.04971	2.2
95.08588	2.1
103.05448	2.1
105.03393	3.2
105.07021	2.1
107.04965	22.0
107.08578	1.8
109.10159	1.7
115.05450	3.2
117.07040	2.6
121.06527	1.6
123.04438	2.9
123.11740	1.3
124.05229	4.5
128.06236	2.2
129.07007	4.3
131.08582	6.6
132.05742	1.3
133.06493	2.4
135.11754	1.5
137.05943	2.1
141.06969	4.6
144.05742	4.6
145.06493	2.3
147.04369	1.5
147.11688	2.1
149.05933	1.2
149.70081	1.1
152.04688	2.8
153.01833	2.5
156.05688	10.6
157.06526	2.8
158.07307	2.1
159.08043	10.0
161.06024	2.0
163.03864	2.1
167.07042	68.6
168.07407	1.3
170.07268	1.6
172.05176	1.7
173.06000	4.4
177.05455	1.7
179.07018	2.5
181.04958	1.4
181.08563	3.4
184.05130	2.2
186.06731	4.0
187.07495	7.3
190.06277	2.8
191.06992	1.4
191.08600	2.6
195.06487	1.6
202.06219	4.1
203.08618	2.0
205.06624	2.1
205.08560	11.7
207.06535	3.5
207.08182	1.3
208.05193	20.4
208.08897	1.4
209.07866	1.6
210.06871	1.9
211.07518	1.3
215.08673	1.7
217.08588	28.3
218.07272	3.4
219.08069	10.2
219.10190	4.1
220.08879	4.2
221.06004	5.2
221.09641	1.8
222.02943	1.7
224.04716	1.8
229.08620	5.1
230.07169	1.6
231.08185	7.5
231.10121	2.4
233.06029	1.4
233.09569	4.0
234.06900	1.6
235.07561	1.9
235.11418	2.0
236.04758	7.1
236.08347	4.6
237.09198	2.2
238.06157	2.5
239.07018	3.5
240.04131	2.9
245.09560	1.7
246.06798	1.7
247.07492	11.4
247.09712	15.0
248.08264	10.1
249.05479	2.9
249.09113	2.7
251.10674	2.3
253.08566	1.3
254.05740	7.9
255.06659	1.5
257.04468	2.2
259.07724	2.8
261.09128	3.2
262.06241	2.2
262.09769	3.2
263.07202	2.5
263.10657	7.9
264.07779	6.6
265.08585	4.0
267.06403	5.5
268.03632	3.6
269.08096	23.7
271.06366	1.5
271.09692	5.3
272.06830	4.7
275.07059	6.8
276.07870	6.3
277.08633	5.6
279.07236	1.1
279.10168	7.0
280.10684	1.2
282.05237	4.6
282.08850	10.8
284.06873	2.6
285.07501	2.2
287.09338	2.4
289.08536	2.7
290.09338	3.5
291.10126	10.1
292.07431	2.8
293.08160	8.2
294.08771	2.4
295.09796	1.6
299.09036	4.0
300.06250	2.8
301.07138	3.7
305.08221	1.9
305.11725	2.6
306.09021	1.8
307.09604	9.6
308.10187	6.1
309.07761	2.0
310.08511	5.6
311.12854	2.4
314.48456	1.3
315.08612	84.2
316.09128	2.7
318.08957	1.9
319.09705	5.2
321.07642	4.5
321.11169	1.8
322.08389	2.2
323.09192	2.0
323.12689	11.7
325.10687	1.8
328.09494	3.6
330.10980	100.0
331.11609	10.0
336.09903	4.0
337.10519	6.7
338.11325	1.9
339.12289	9.1
341.10287	1.7
343.11752	16.1
351.12283	23.2
352.12906	5.4
353.10117	5.7
356.12598	2.4
368.12616	8.0
369.13214	4.3
371.14859	3.7
383.14911	66.0
401.15994	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	401.1424
Annotation	URB447
Peak:m/z	Relative Intensity
53.03935	0.6
56.96558	0.9
69.03414	1.5
69.66871	3.3
70.06576	0.6
71.04986	0.6
72.08152	0.6
74.06059	1.9
77.04937	0.5
79.05488	1.3
81.03438	0.6
81.07039	2.0
84.08157	2.7
84.96039	0.6
85.02876	2.0
86.09684	2.0
91.05475	1.5
93.07053	0.7
95.04976	2.9
95.08608	1.1
97.02887	1.1
98.20697	0.7
98.97576	2.3
105.03400	3.1
105.07007	2.2
107.04957	1.1
107.08588	1.1
109.06499	0.9
109.10155	0.8
112.44121	0.6
121.02857	1.4
127.03835	0.8
129.10223	1.9
131.08549	0.7
133.10115	2.3
135.07997	0.8
137.05911	0.9
139.03867	0.6
145.04887	0.7
147.04390	1.4
147.11621	0.7
153.09044	0.7
158.99593	0.9
159.07875	0.6
163.11182	0.7
167.06870	0.6
177.00655	0.7
177.05429	0.8
179.07083	1.0
179.10648	0.6
186.95935	0.6
191.14337	0.7
209.15315	0.7
239.08916	0.7
239.12740	1.8
263.41669	0.5
319.61099	1.3
332.59253	0.6
343.13452	1.0
352.12939	0.6
401.13974	100.0
401.17682	8.1
402.14240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1212
Annotation	Kankanoside C
Peak:m/z	Relative Intensity
50.78341	0.7
55.01878	1.1
56.96555	2.9
67.05486	1.7
69.03420	3.6
70.06586	2.4
71.05003	1.2
71.53744	0.9
72.08147	0.7
73.02904	0.9
81.03397	1.1
81.35735	0.8
84.08141	1.7
85.02908	5.7
86.09714	1.9
91.05483	0.9
93.07037	1.6
95.06091	1.2
97.02874	2.7
98.97595	5.1
103.05448	0.8
105.03391	2.4
105.06996	0.9
106.02914	1.8
107.04961	4.0
107.08611	1.0
109.02835	1.7
109.10120	0.8
110.44553	0.9
110.97569	1.5
116.98605	2.0
121.06542	0.8
123.04369	1.1
124.03946	1.4
127.03914	1.6
127.87582	0.8
128.98634	0.8
131.04910	1.7
132.10225	0.9
135.04468	0.9
135.05495	1.3
137.05966	1.4
139.03917	1.1
143.00174	1.1
147.04420	1.8
149.06017	1.2
158.99635	1.8
161.05989	1.5
163.03876	3.4
167.03581	1.1
171.42935	0.9
177.00735	1.2
177.05540	1.4
181.04947	3.5
185.04865	0.9
197.04768	2.1
201.05861	1.0
202.57571	0.8
203.07118	0.8
209.04884	3.5
219.01709	3.2
221.04858	1.7
221.08153	1.7
224.92284	0.8
227.05798	3.5
237.02737	2.3
239.05994	7.3
239.12581	1.6
250.07341	0.8
257.07062	5.3
259.08087	1.0
263.05917	2.0
268.08179	1.4
281.06940	3.1
357.11459	2.1
383.10300	1.3
383.15182	0.8
401.11761	100.0
402.12408	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
56.96301	1.3
56.96568	21.5
57.03421	1.7
69.03422	3.5
70.06573	0.9
71.04993	1.2
71.53151	1.1
71.53525	1.1
73.02901	0.9
84.96037	9.1
85.02914	7.4
87.04467	0.8
97.02926	5.1
97.06555	0.9
98.97591	72.8
107.04955	5.9
109.02885	1.1
110.97569	32.7
112.99142	5.1
116.97825	1.9
116.98627	27.0
124.99145	1.9
126.97080	1.1
127.03960	2.0
128.98611	27.3
131.00163	4.8
133.06090	6.4
134.99646	5.7
136.06198	5.7
137.06573	1.7
140.00145	0.9
140.98596	1.8
143.00185	5.9
144.98151	1.6
145.04991	1.4
146.99669	14.6
148.95750	1.0
149.01244	2.5
158.99658	7.2
159.03310	1.2
161.01248	8.0
162.99202	0.9
163.03911	3.0
163.97874	2.8
165.00740	1.3
170.99677	6.7
173.01410	1.1
177.00725	7.7
177.05659	1.1
179.00139	1.2
181.98877	10.3
189.00749	6.5
199.99950	12.9
201.00662	7.6
207.01912	1.0
210.99069	1.7
211.02771	2.4
212.97568	1.5
213.00777	1.8
215.02245	2.5
218.00998	1.5
219.01770	65.9
222.88966	1.0
229.00233	3.5
237.02827	100.0
238.03261	1.4
239.02272	1.5
239.10263	2.5
242.03403	2.0
255.03867	5.1
257.03351	3.6
259.99954	6.0
260.04523	3.4
261.02789	1.7
262.87451	0.9
269.03329	2.8
275.02194	1.1
278.01001	5.2
279.03918	1.4
281.03336	2.7
293.03476	3.8
299.04456	2.1
323.04419	2.1
326.03107	6.7
341.05450	19.3
344.04233	2.7
359.06525	52.8
377.07529	1.6
382.08182	2.5
386.45697	0.9
399.74908	0.9
401.07635	53.6
401.13336	5.8
402.13989	1.6
419.08456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
60.16081	0.4
65.03944	0.4
67.05508	1.7
69.03429	1.1
69.40861	3.1
70.06594	0.7
71.04990	1.3
81.03423	4.1
81.07043	0.6
85.02899	1.3
89.06017	1.6
91.05479	5.3
91.16243	0.4
98.97568	0.6
99.04442	0.5
105.07020	0.4
107.04945	1.3
107.08572	0.4
109.02866	1.6
109.10150	1.0
119.04943	17.9
124.03992	0.7
127.11185	3.4
145.72733	0.4
147.04417	100.0
148.04721	0.9
165.05475	6.2
227.49112	0.4
239.14890	0.6
291.08670	5.2
309.09705	7.4
324.86102	0.4
365.25348	0.5
383.26358	0.4
400.14325	6.3
400.19788	0.5
401.17905	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	400.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03942	1.8
55.01880	0.5
56.96563	1.1
59.05012	0.5
61.02925	1.0
69.03429	2.4
69.07097	0.4
70.06601	5.5
71.04997	1.0
71.54529	0.5
73.02921	0.7
77.03902	0.7
79.05498	6.7
81.03416	1.7
83.04979	0.4
84.04520	1.1
85.02914	3.8
86.09715	2.7
87.04473	11.4
88.04031	0.5
89.06018	0.9
95.04967	2.3
95.06074	0.8
97.02895	2.4
98.97598	2.3
99.04450	0.5
105.03378	0.6
105.04500	0.8
105.07012	0.4
106.02946	0.6
107.04961	100.0
108.05302	0.7
109.02886	1.3
112.08732	1.7
114.09172	4.0
115.07634	0.4
115.08684	1.2
116.98653	0.9
121.02875	0.9
123.04411	0.9
124.03933	1.0
127.03947	1.2
131.04968	0.9
132.10211	76.3
134.52310	0.4
137.05951	0.4
139.03958	0.7
141.10098	0.4
145.04919	0.9
147.04443	0.7
149.02379	0.6
153.01823	1.6
158.99710	1.3
161.06018	0.8
163.03922	1.1
177.00679	0.6
211.11835	0.6
219.01711	0.6
231.06932	0.5
237.02792	0.6
238.10805	0.7
238.14302	1.0
259.05988	0.7
291.70279	0.5
294.15408	1.7
305.06497	0.8
317.25684	0.4
319.07440	0.8
351.09775	0.4
356.19769	0.5
370.19138	0.5
391.19891	0.5
399.66220	0.6
399.71500	9.6
400.19870	16.6
400.71747	1.4
401.13913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2015
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
53.03936	3.0
55.01868	2.0
55.05519	1.8
57.03424	5.2
59.05007	1.1
61.02932	6.4
65.03923	1.5
67.05504	2.5
68.47871	1.0
69.03436	23.4
69.07069	1.6
69.51048	5.8
69.51456	2.0
71.04981	4.3
73.02919	3.4
74.50100	1.1
79.05472	3.1
81.03419	13.7
81.07060	6.1
83.04967	1.7
83.08628	1.3
83.86935	1.4
85.02910	51.8
85.06525	1.1
87.04457	4.9
87.88600	1.2
91.03957	1.5
91.05476	3.9
93.07041	8.1
95.04967	7.4
95.08610	3.8
97.02901	18.7
97.06521	2.3
98.97582	5.1
99.04453	4.8
103.05469	13.8
105.07040	4.7
107.08612	7.3
109.02860	7.6
109.06519	5.4
109.10143	3.4
111.04421	1.5
117.06971	1.7
119.08578	4.3
121.02874	83.0
121.09323	2.1
121.10149	27.5
123.08075	4.0
123.11749	1.4
125.12741	1.1
127.03922	12.2
127.11169	1.7
131.04938	40.1
131.08595	3.4
133.10156	6.8
135.08031	2.6
135.11708	10.5
137.09615	1.4
139.03900	16.9
143.08569	1.5
145.04973	4.8
145.10100	1.4
147.04434	7.0
147.11716	2.0
149.05957	2.5
149.13295	1.8
151.07524	15.9
151.11209	2.9
153.01820	1.3
159.11719	4.7
161.09631	4.1
173.13269	3.6
177.12775	3.9
179.10776	1.4
191.14346	7.0
193.12289	4.3
194.43633	1.2
201.12700	3.1
209.15398	1.7
212.71896	1.0
219.13840	18.7
219.17471	2.5
237.14864	47.3
237.18590	2.5
265.07156	3.6
265.11301	1.6
275.09143	1.6
283.08133	10.7
293.10193	1.5
337.30731	1.2
355.08197	1.7
399.11298	2.4
399.20160	100.0
399.69339	1.5
400.20538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.05512	26.2
57.07074	10.5
61.22822	4.3
63.23269	4.1
67.05502	40.6
69.07073	23.3
71.05002	4.2
71.08621	8.5
71.54558	4.7
79.05475	15.3
81.07065	60.5
83.04973	7.0
83.08607	17.7
89.40385	4.6
91.05454	14.5
93.07050	41.2
95.08611	100.0
97.10179	7.8
99.04490	7.7
101.06034	6.9
105.07045	20.9
107.08603	60.0
109.10177	45.0
119.08630	26.0
121.10152	64.2
123.11713	11.1
131.08618	5.6
133.10152	30.2
135.08060	6.5
135.11674	55.4
137.13229	6.0
145.10176	6.8
147.11722	28.1
149.13246	27.9
159.11650	9.2
161.13255	16.9
163.14847	11.0
173.13313	7.0
175.14842	10.5
177.12755	14.3
177.16353	5.7
178.92049	4.1
181.12260	9.2
189.16370	13.7
191.14323	14.2
191.17960	99.5
195.13826	23.0
203.17996	23.9
205.19598	7.5
207.13831	10.8
209.15379	25.6
217.19423	22.8
219.21336	4.2
235.17032	4.7
289.21866	5.2
317.09109	4.8
381.26025	4.6
399.32593	66.4
400.32742	4.6
405.61429	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	399.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01849	1.1
57.03440	9.6
57.07078	28.2
61.02913	3.7
61.98837	0.8
69.03433	23.7
69.48637	6.7
70.06614	1.2
71.04975	2.8
73.02911	2.2
75.04470	1.6
81.03413	10.4
85.02908	37.1
85.06558	9.0
87.04465	2.2
91.05486	2.1
91.43219	0.9
94.55134	1.0
95.04952	0.9
96.42654	0.8
97.02911	12.8
98.21541	1.8
98.97574	2.5
99.04454	5.5
101.06005	1.2
103.03976	2.1
103.05470	50.8
103.07558	6.6
105.07062	1.1
107.04916	0.9
109.02894	9.1
115.03940	1.4
115.05466	1.0
117.05502	5.5
117.06986	1.1
121.02860	7.4
127.03922	19.8
130.04124	1.8
131.04936	100.0
135.06497	1.9
139.03964	1.3
145.04993	7.5
148.05197	13.3
153.07588	2.5
161.06023	6.3
162.06772	1.6
163.07552	53.7
175.07489	1.1
201.09166	3.0
208.27411	1.0
211.09541	1.0
219.10138	1.0
229.10707	6.3
237.07571	1.2
237.11201	2.7
247.09309	2.0
247.11778	22.5
265.07104	1.1
363.16574	1.1
399.12421	3.8
399.16342	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	399.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01850	3.5
57.03428	9.6
57.06792	5.5
57.07076	100.0
59.94194	3.4
61.02914	6.4
67.05501	5.2
69.03428	59.0
70.06615	3.5
71.04977	6.0
71.22655	7.5
72.27899	3.3
73.02935	4.8
81.03419	24.8
83.04987	5.8
84.08147	6.0
85.02900	73.3
85.06549	23.4
87.04471	5.5
91.05470	4.9
93.07033	5.8
96.19517	3.0
97.02892	21.0
98.97593	6.5
99.04445	10.7
101.06035	3.7
103.05467	35.1
103.07580	22.4
103.60357	2.7
105.07013	3.3
109.02869	18.8
115.03938	3.2
117.05504	18.0
117.07487	3.8
121.02840	26.1
127.03908	34.1
129.05475	4.0
129.10272	5.2
131.04933	72.5
133.10068	3.7
139.03888	4.4
145.04971	15.5
147.04431	6.5
147.11694	3.8
148.05154	7.2
153.07555	10.8
158.99597	3.6
161.05984	6.9
163.03946	4.1
163.07542	38.7
164.07228	3.0
193.04881	5.1
197.07504	4.4
229.10684	13.6
235.42738	3.3
247.11743	67.6
299.16428	4.1
348.59891	3.5
363.16428	3.7
399.12042	29.7
399.17233	15.4
411.16138	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	399.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57678	0.4
55.01860	0.5
56.37465	0.5
56.96565	1.8
60.68862	0.4
61.02919	0.6
69.03431	1.9
73.02908	1.0
73.48286	0.4
75.60574	0.3
81.03417	0.6
85.02913	2.9
97.02900	2.2
98.21527	0.8
98.97591	5.3
101.00867	0.6
105.03415	0.5
107.89945	0.4
109.02909	0.5
110.97583	1.3
112.07619	0.6
112.99147	0.5
114.40790	0.4
116.41987	0.4
116.98631	1.5
119.01852	0.7
127.03924	1.1
128.98611	0.7
130.08594	0.6
131.01973	0.5
136.06189	1.4
137.05994	1.3
143.00212	0.6
145.03418	0.4
145.04930	0.6
147.03110	0.6
147.04422	0.7
155.01920	0.5
155.04649	0.9
156.03549	0.9
158.99658	1.5
161.01178	0.5
170.99597	0.7
177.00676	1.2
186.04552	0.5
197.08211	0.4
212.07359	0.4
213.00606	0.5
219.01790	1.9
228.05772	1.8
237.02605	2.7
237.06178	0.5
244.04240	1.0
244.07870	1.1
250.09346	0.7
255.03600	1.3
261.02921	0.4
263.58481	0.5
265.05789	0.5
279.03732	1.0
309.08484	0.6
325.10474	2.8
325.60098	0.5
339.05573	2.8
357.06702	2.3
381.11450	3.6
399.12659	100.0
400.13016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90611	1.8
53.03950	4.2
55.05499	7.3
57.07073	5.9
63.45396	1.8
67.05493	8.3
69.03418	3.1
69.07090	4.6
71.08637	4.9
73.46467	2.0
77.03924	2.4
77.64075	2.1
79.05517	10.7
81.03420	7.9
81.07059	12.3
83.04995	2.7
83.08591	2.4
85.02888	3.9
88.14838	2.0
91.05492	30.8
93.07041	9.6
95.04967	3.5
95.08602	5.8
97.02883	3.7
97.06518	3.3
97.10187	3.0
98.97589	3.9
99.08132	2.6
101.06052	2.5
103.05476	23.6
105.03369	3.1
105.07027	5.6
107.04964	100.0
107.08592	5.7
109.02853	5.2
109.10177	6.1
111.04462	3.9
115.05444	3.9
119.08598	6.9
121.10121	4.0
121.69971	2.3
123.11690	2.0
126.52772	2.1
127.03846	2.3
129.05444	2.9
131.04936	83.3
131.08595	3.0
133.10133	4.1
135.11658	2.8
145.10112	4.0
146.45380	1.7
149.06049	3.2
159.11728	2.0
160.35301	2.0
161.05960	2.0
177.00023	11.9
195.01097	4.5
209.09642	9.2
223.00601	5.3
237.02563	2.2
237.09146	4.1
250.99977	4.2
267.09079	2.9
269.12457	3.4
270.12549	5.9
273.04007	2.7
275.09283	2.9
285.10040	2.6
293.10245	2.8
399.10635	6.4
399.24265	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	399.1629
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
69.03394	0.5
70.06594	0.6
71.54395	0.6
71.54775	0.5
79.05512	0.5
79.88014	0.4
81.07076	0.7
82.95512	0.4
85.02892	0.5
93.07079	0.4
97.02895	0.7
98.97601	1.0
102.38670	0.5
105.07056	0.7
107.08640	0.6
112.77461	0.4
120.08046	0.5
121.10184	0.4
121.23751	0.5
123.11610	0.4
137.06052	0.4
142.09503	0.5
145.04994	0.5
160.54900	0.4
164.07063	2.1
171.07640	0.6
219.09950	0.6
237.11011	4.7
301.31189	0.4
316.60510	0.4
398.23987	0.4
399.16342	100.0
400.16724	1.7
403.01459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
53.57308	0.6
55.05505	0.7
56.96565	1.3
57.07046	0.8
64.65575	0.4
65.03944	1.2
67.05500	1.1
69.03414	2.0
69.07053	0.9
69.50806	3.5
70.06587	1.9
71.04985	1.2
71.08637	0.7
73.06573	1.2
79.05490	1.7
81.03417	1.5
81.07055	2.1
83.05000	0.7
85.02916	3.5
85.06517	0.7
85.45181	0.5
90.66798	0.5
91.05488	10.9
93.07052	2.6
95.05016	0.8
95.08620	2.1
97.02893	1.4
97.13212	0.6
98.21571	0.9
98.97601	6.0
99.04489	0.5
105.07029	2.5
105.80289	0.5
107.08588	2.0
109.02869	0.9
109.06490	1.6
109.10178	1.2
110.97615	1.0
116.98626	1.8
117.07085	0.6
119.04951	19.6
119.08601	1.6
121.02902	1.2
121.06422	0.7
121.10149	1.9
123.04465	0.5
123.08069	0.9
125.09684	0.5
127.03924	0.7
127.11210	0.7
128.98607	1.1
131.08588	1.6
133.10158	3.6
134.99739	0.5
135.08049	1.2
135.11694	0.7
137.09608	1.7
139.11145	0.7
145.10121	1.1
147.04416	100.0
147.11684	1.2
148.04750	0.8
153.01830	0.8
158.99680	3.0
161.13220	0.9
165.05499	2.8
173.13313	1.2
177.00699	1.9
179.14316	0.8
191.14308	2.1
196.07596	0.6
199.08202	0.8
209.15402	0.7
214.08609	4.0
217.32863	0.5
219.01768	1.4
219.13913	0.7
219.17412	1.1
223.09137	0.6
229.15448	1.7
232.07018	4.0
234.59932	0.8
237.02852	1.1
237.14917	1.0
277.14026	1.0
289.11096	1.0
291.08627	1.0
309.09695	5.9
318.15671	0.8
355.08170	1.4
399.15057	8.2
399.19958	2.1
399.27155	1.4
400.13962	0.8
401.15070	0.6
409.15421	2.5
417.18045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
56.05030	0.5
56.96568	3.3
56.96834	0.5
57.03435	0.9
61.02931	1.2
68.27654	0.4
69.03409	2.1
69.56915	2.7
70.06591	0.6
73.02928	1.0
78.59890	0.4
81.03426	1.0
83.01827	0.4
84.96040	0.6
85.02908	4.2
87.04459	0.5
91.05464	0.5
97.02895	4.0
98.97586	8.0
99.04458	0.6
101.00884	0.9
102.05556	0.7
102.96914	0.9
105.91417	0.5
109.02912	0.7
110.97570	2.1
112.99140	0.5
116.98637	3.6
118.01145	0.5
119.01862	1.3
127.03951	1.4
128.98640	2.0
131.00201	1.0
131.01878	1.1
131.04953	0.5
132.97888	0.5
134.99634	0.5
136.06206	2.4
137.05962	2.2
139.03915	0.8
139.74263	0.4
143.00186	1.0
143.01912	0.9
145.03470	0.7
145.04984	0.7
146.06020	0.6
146.99683	1.1
147.03212	0.9
147.04335	0.7
149.01231	1.0
156.03650	1.1
157.03468	0.6
158.99690	1.9
160.02211	0.4
161.01227	0.9
161.02895	0.8
163.03915	0.8
165.00748	0.5
167.07039	0.4
168.05428	0.5
170.99640	1.0
173.02988	0.7
177.00758	1.3
177.04137	0.6
182.99591	0.6
189.00803	0.7
195.05093	0.7
197.03059	0.5
201.00656	0.9
209.03227	0.6
213.00658	1.1
219.01677	3.1
219.05157	1.1
221.03110	0.5
221.05106	0.8
227.57062	0.6
228.05713	3.0
237.02719	3.3
237.06314	1.4
244.04338	2.7
249.02682	0.6
250.09369	1.6
255.03745	1.2
261.02890	0.8
274.97604	1.3
279.03934	0.7
281.04886	0.5
294.06116	0.7
301.63763	0.4
318.08521	0.4
321.04877	0.5
339.05518	2.2
339.09393	0.9
348.06845	2.1
357.06207	2.0
357.10577	0.6
363.09464	1.0
381.10925	3.1
399.12653	100.0
400.12796	2.0
419.19373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1653
Annotation	BRN 5158773
Peak:m/z	Relative Intensity
53.03946	3.2
55.01868	1.9
55.05514	1.4
56.96591	1.2
57.03435	4.6
61.02924	4.3
65.03928	1.8
67.05532	1.7
69.03437	16.7
69.55942	5.1
69.56352	1.6
71.04987	3.0
73.02935	2.4
79.05492	3.0
81.03429	10.5
81.07056	4.0
81.47910	0.9
83.01365	1.2
85.02914	46.0
87.04469	3.9
91.03954	1.4
91.05495	3.7
93.07063	9.5
95.04984	9.6
95.08615	2.9
97.02902	12.7
98.97591	4.4
99.04474	2.3
103.05482	5.8
105.07034	4.6
107.08580	6.3
109.02879	5.6
109.06536	4.0
109.10168	3.2
111.04434	1.5
111.08096	1.2
114.43487	0.9
119.04977	1.6
119.08590	3.9
121.02880	100.0
121.10159	20.6
123.08109	3.4
123.11774	1.2
127.03908	8.5
131.04936	18.8
131.08614	2.8
133.10135	4.6
135.08115	1.3
135.11673	8.4
137.09622	1.7
139.03900	18.0
145.04980	3.6
147.04459	5.7
147.11703	1.9
149.09634	1.8
149.13278	1.5
151.07539	11.8
151.11214	2.0
159.11673	4.8
161.09628	1.9
173.13313	2.4
177.12808	3.9
191.14368	4.6
193.12329	1.5
201.12761	2.0
219.01776	1.5
219.13815	11.9
219.17476	2.2
237.14867	34.4
265.07123	4.9
265.11157	1.7
283.08133	12.9
293.10187	2.3
307.12119	1.3
318.16214	1.5
355.08209	2.8
399.20206	70.0
400.14334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84969	0.6
56.96579	3.6
57.03434	0.9
57.07080	0.6
60.69952	0.5
64.15237	0.5
69.03425	1.8
71.04987	0.5
71.08628	1.3
71.53456	0.7
81.03416	0.7
83.05004	0.9
84.96027	1.6
85.02909	3.5
95.07211	0.7
97.02892	2.9
98.97597	6.8
99.04470	0.9
101.06012	0.9
102.05613	0.6
107.04971	1.0
109.02898	0.8
110.97557	1.0
111.04450	0.7
112.99135	0.8
116.70135	0.5
116.98645	1.7
119.01908	0.6
127.03957	1.2
128.98578	1.4
129.05505	0.8
131.00114	0.8
136.06184	4.3
140.98651	0.6
143.00154	1.2
145.05093	0.6
147.04535	0.5
151.03746	0.6
158.99664	1.1
161.01247	1.4
163.03868	2.7
177.00630	0.9
179.00194	0.6
191.14107	0.6
194.99788	1.2
195.01439	4.7
195.12639	0.5
201.00743	1.4
213.00719	3.2
219.01721	3.8
221.03111	0.6
227.57030	0.8
237.02586	4.4
237.07597	0.7
249.02650	0.7
250.09413	2.0
255.01503	1.0
263.04108	0.6
279.07904	0.6
321.04749	4.8
339.03732	5.8
357.04819	2.7
381.06879	1.3
399.12683	100.0
400.12952	1.2
409.96072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.0
69.08411	0.2
71.52604	0.5
71.95269	2.1
75.74576	0.2
95.61147	0.3
98.97585	83.6
116.98624	34.5
130.93271	0.4
134.99661	8.1
135.00676	0.5
137.12738	0.2
140.00226	0.8
153.00726	0.4
154.93301	0.3
172.94345	4.2
190.95386	2.5
197.95222	0.4
198.97466	0.2
208.96503	0.7
214.95419	3.4
215.56897	0.2
216.98798	0.4
230.98613	0.3
232.96468	6.0
233.96805	0.2
241.94177	0.3
248.94029	0.2
249.77689	0.2
250.97556	2.8
256.96442	16.3
258.99753	3.4
261.03134	0.4
262.03232	0.3
274.97513	100.0
275.97855	0.5
277.00739	3.0
283.00015	0.6
292.98566	44.2
293.98984	0.4
297.99130	2.9
298.97681	0.6
301.01016	0.7
302.97867	0.3
303.00943	0.4
311.12225	0.3
316.00128	1.0
316.98941	0.4
326.01443	0.2
374.98120	0.4
398.97736	2.2
416.98877	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.9
55.01867	3.6
55.05527	3.4
57.03437	21.3
57.07077	3.5
59.04990	6.0
59.28136	1.9
61.02915	6.3
66.89766	2.1
67.05520	2.3
69.03431	73.4
69.07070	28.3
69.20056	17.0
70.06591	1.9
71.01319	2.0
71.04964	2.3
73.02921	10.2
75.04471	1.9
75.07496	1.8
79.05492	3.4
81.03396	7.7
81.07054	6.0
83.04974	4.1
85.02905	86.1
85.06519	2.1
86.09686	2.8
87.04467	47.6
89.06050	3.5
91.03962	2.3
91.05482	4.3
93.07030	6.4
95.04964	2.9
95.08609	4.0
97.02896	73.8
98.21511	5.0
98.97592	8.0
99.04435	4.5
101.05999	2.8
107.08587	6.0
109.02842	9.6
111.04470	2.2
111.08089	17.2
115.03934	80.7
116.07088	13.3
121.02884	16.9
123.08077	4.3
127.03915	22.9
133.04971	100.0
135.08020	2.2
145.04955	35.6
147.04391	2.8
150.07562	9.7
163.06018	20.0
165.09093	3.7
167.06999	5.4
169.04918	3.0
175.06039	2.7
182.74985	2.2
183.10112	4.3
195.10165	2.4
201.11317	3.9
207.13718	2.4
213.06955	3.2
213.11206	3.2
223.06009	2.2
231.12361	2.8
241.07034	3.5
259.08188	9.1
277.09293	3.9
285.17151	1.8
294.09341	2.4
295.10199	8.0
298.92923	1.8
309.08658	1.9
398.14578	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	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01886	0.9
55.05505	1.4
56.48240	0.8
57.03424	3.6
57.07076	100.0
59.32857	0.8
61.02908	2.5
69.03426	22.6
71.04987	3.9
71.05343	2.3
79.05513	1.4
81.02927	1.4
81.03413	28.7
81.07064	2.3
81.10891	1.0
83.04992	1.3
85.02908	31.4
85.03435	1.6
85.06544	20.1
86.03252	1.0
89.06042	7.3
91.05482	2.8
93.07078	1.5
95.04960	1.3
97.02292	1.5
97.02895	21.3
98.97559	1.8
99.04453	6.5
103.07576	13.4
107.04982	1.8
108.04475	1.2
109.02873	17.7
109.10139	1.1
111.04496	1.0
119.04939	1.1
119.08603	1.3
127.03918	27.4
128.07112	1.3
135.06522	1.8
137.05991	3.5
138.06325	2.0
145.04962	14.4
147.04390	4.1
152.08003	1.0
153.94444	0.9
158.99696	1.6
159.08115	1.1
190.08623	1.0
199.07117	1.0
206.79462	0.9
211.09590	2.9
218.12617	1.6
229.10710	40.1
235.13242	1.5
236.13644	2.9
243.08592	1.4
247.11766	68.4
274.11676	1.7
292.10400	1.1
294.48981	1.0
345.15509	3.4
398.17224	5.7
399.15814	2.7
399.20340	1.4
407.87067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69537	2.3
53.21357	2.3
55.05513	5.7
56.96558	4.3
57.07081	27.6
58.49132	2.6
65.68935	2.4
67.05499	4.1
69.03424	8.7
69.07051	2.3
69.46969	11.5
69.47378	6.0
71.08633	30.5
79.05512	3.8
79.25085	2.3
79.58054	2.3
81.03420	7.1
81.07069	5.4
83.04992	2.5
85.02910	21.8
87.25568	2.5
89.06039	48.2
91.05491	9.3
93.07004	4.3
95.08611	3.9
97.02894	6.7
97.10162	2.5
98.21579	5.2
98.97566	2.4
104.15056	2.4
105.07065	4.5
107.04990	3.5
107.07072	85.6
107.08613	5.2
109.02879	2.5
109.10189	4.3
113.13307	3.0
119.08612	5.7
121.02735	2.1
121.10098	3.3
125.09650	3.5
135.11688	3.1
136.67839	2.4
143.37814	2.8
157.15811	3.0
176.01735	3.1
204.01163	55.0
219.19563	100.0
250.01715	58.4
278.57187	2.5
363.21872	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04109	0.7
53.03937	1.1
55.01865	1.3
55.05262	1.2
55.05512	14.9
57.03438	1.8
57.07082	3.6
61.02927	0.9
67.05510	16.0
67.05869	0.9
68.99793	1.9
69.03432	1.5
69.07072	20.9
69.42139	3.5
69.42554	2.0
70.07424	0.8
71.04998	2.6
71.08623	1.1
79.05494	6.1
81.03423	3.2
81.07061	22.7
83.04994	1.2
83.08624	14.4
85.02902	1.3
85.06538	2.2
91.05492	5.8
93.07044	10.9
95.04983	1.6
95.08614	18.5
97.02894	1.4
97.06534	2.9
97.10173	11.9
98.97591	1.4
99.08078	1.0
105.07044	5.6
107.04967	2.2
107.08597	8.3
109.02889	1.6
109.06483	1.3
109.10171	9.4
111.00802	1.1
111.08070	2.3
111.11746	6.7
112.01223	0.8
112.12051	2.3
119.04993	1.1
119.08594	4.8
121.10149	9.0
123.04433	1.5
123.08070	0.9
123.11703	4.2
125.09616	2.3
125.13266	2.0
127.03922	100.0
129.12770	2.1
130.13121	1.4
131.08571	0.8
133.10146	4.5
133.83153	0.9
135.11702	8.4
137.05972	3.6
137.09612	1.1
137.13306	2.0
139.03914	15.4
139.11188	2.3
145.02841	0.9
147.04462	1.0
147.11703	5.2
149.13226	1.3
151.03925	1.2
151.11229	2.4
151.14833	1.1
153.01837	83.1
153.05360	1.8
153.12788	2.9
155.03398	3.4
159.11766	1.0
161.13234	4.8
163.03943	2.1
165.05492	3.8
165.12743	2.8
169.12338	1.0
171.02904	0.9
175.14830	2.0
177.05486	1.9
179.14317	1.6
181.04980	3.0
189.05469	3.5
191.07100	1.3
193.08694	1.5
193.19536	0.7
200.17175	0.9
217.16103	1.0
217.19571	8.8
218.18466	1.1
229.07466	1.5
235.20575	8.6
253.21692	7.1
267.09247	0.9
320.13834	1.6
361.23639	3.0
379.24991	9.2
397.16791	1.7
397.22989	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.05518	11.2
57.07080	19.0
59.37746	2.2
67.05512	29.3
69.07069	25.6
71.08640	21.1
79.05492	17.3
81.07059	55.2
83.08627	16.2
85.10171	12.8
91.05482	14.6
93.07054	24.9
95.07999	2.5
95.08614	49.0
97.10190	13.9
105.07039	30.8
107.08601	28.7
109.10166	37.3
111.11709	10.4
111.45824	2.6
119.08595	23.2
121.10160	17.7
123.11713	12.7
125.13269	3.1
131.08582	3.1
133.10120	24.3
134.14874	2.7
135.11711	32.5
137.13245	5.4
145.10138	6.7
147.11699	60.9
149.13274	20.9
151.14903	4.2
159.11688	5.6
161.13269	46.2
163.14815	7.1
165.16388	4.4
173.13309	5.2
175.14848	15.8
177.16367	3.1
187.14885	4.0
189.16382	8.6
201.16464	7.4
203.18013	9.0
215.18001	10.6
217.19495	7.5
221.22748	2.7
229.19612	6.9
235.61913	2.3
243.21060	11.1
247.24413	2.6
257.22626	5.6
261.25745	2.5
275.27573	3.0
287.27274	4.9
299.27524	4.0
315.30280	3.3
397.38339	100.0
398.38593	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2202
Annotation	His Leu Gln
Peak:m/z	Relative Intensity
57.21905	0.2
67.05477	0.3
69.03413	0.4
69.07056	0.4
70.10122	0.7
79.05473	0.2
80.56435	0.2
81.07040	0.4
85.02903	0.4
91.05476	0.8
93.07038	0.5
95.08613	0.3
105.07024	0.3
107.04932	0.3
107.08588	0.6
109.02905	0.2
109.10158	0.3
119.08580	0.6
121.10186	0.2
127.03926	0.3
129.07034	0.3
131.04907	0.5
133.10124	0.5
137.05998	1.8
143.08534	0.2
145.10123	0.3
147.04437	0.2
147.08040	0.3
147.11658	0.2
151.03935	0.2
151.07436	0.2
157.10153	0.3
161.09662	0.5
175.14720	0.2
199.14821	0.3
203.05342	0.3
213.08827	0.2
217.15871	0.8
229.10191	0.2
231.10025	0.2
235.16960	0.7
236.10616	0.3
238.59325	0.2
245.09453	0.3
261.09305	0.3
277.12238	0.2
333.11172	0.3
379.15610	0.2
397.21957	100.0
398.22226	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2225
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03938	5.1
54.54031	3.4
55.01862	6.3
55.05499	11.5
56.21960	4.0
56.96568	3.6
57.73667	2.9
67.05502	15.2
69.03434	12.8
69.07061	22.8
70.51042	3.7
71.04979	8.4
71.57167	3.2
79.05505	18.3
81.03416	10.9
81.07059	31.7
83.04996	6.1
83.08601	5.5
85.02894	9.9
85.06525	5.7
91.05473	16.8
93.07043	29.5
95.04974	11.4
95.08609	26.6
97.02879	9.2
97.06538	7.5
97.10161	5.5
105.03404	17.4
105.07037	98.1
107.04947	15.9
107.08597	36.3
109.02878	7.2
109.06495	8.9
109.10152	18.2
110.60432	3.7
111.08089	8.3
117.07000	5.1
119.08588	43.6
121.06507	13.9
121.10163	26.8
123.04397	4.9
123.08097	6.8
125.09624	7.4
127.03913	4.6
129.07036	4.7
131.04932	10.3
131.08557	14.3
133.06488	11.3
133.10139	27.7
134.25591	3.6
135.08070	5.8
135.11688	11.7
137.05986	18.7
143.08562	10.1
145.10143	9.1
147.04443	7.2
147.08061	100.0
147.11731	22.9
149.09560	6.3
149.13133	4.6
153.33176	3.8
157.10117	15.7
159.04420	4.6
159.07996	6.0
159.11697	24.4
161.09654	15.3
161.13289	8.8
173.13280	11.1
175.11176	5.5
175.14832	19.6
177.05447	10.2
189.12817	5.0
189.16396	20.3
199.14764	22.1
217.15886	95.2
235.16931	23.3
379.15964	4.5
397.16592	21.4
397.22250	13.3
397.27026	5.5
404.21460	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2201
Annotation	His Leu Gln
Peak:m/z	Relative Intensity
53.03941	0.8
53.95451	0.5
55.01875	0.7
55.05497	1.3
55.21215	0.5
58.17820	0.5
65.41824	0.5
67.05482	2.1
69.03422	2.4
69.07060	1.9
71.04979	0.6
71.56576	0.7
71.58089	0.6
79.05489	1.8
81.03406	1.7
81.07065	3.6
83.04992	1.1
85.02924	1.2
85.06531	1.1
91.05480	1.7
93.07039	2.0
95.04951	1.2
95.08599	2.1
97.06514	0.9
98.97576	0.7
105.03385	0.7
105.07021	2.6
107.04948	4.9
107.08621	3.0
109.02885	1.2
109.06490	0.9
109.10152	1.4
119.08595	2.5
121.06510	1.1
121.10141	1.6
125.09628	1.0
127.03934	0.7
129.06992	0.7
130.06508	2.1
131.04924	1.4
131.08539	1.2
133.10100	1.4
135.08028	0.7
135.11679	1.4
137.05957	1.6
141.06799	0.8
145.10112	0.7
147.04420	2.3
147.08049	0.9
147.11656	0.9
151.03893	0.7
151.83923	0.6
157.10152	0.7
159.09183	0.9
159.11674	0.7
161.09660	1.1
170.06049	0.7
175.11174	0.7
177.05450	0.9
189.05440	0.6
189.12781	0.7
199.14812	0.8
203.05299	1.4
217.15915	1.5
235.16826	1.3
236.10869	3.2
245.09474	0.7
255.17842	0.6
295.99228	0.5
298.86816	0.7
307.18652	1.3
358.53214	0.7
397.21899	100.0
398.22354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1284
Annotation	8-C-Methylvelloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
51.02364	1.0
53.03931	3.0
55.01859	1.9
56.67087	0.7
61.08638	0.7
61.38291	0.6
65.03945	0.6
65.53812	0.6
67.05489	2.9
69.03422	1.1
70.68930	1.4
70.69271	0.6
77.03920	1.5
79.05484	7.0
81.03417	8.0
81.07031	1.3
85.02874	1.5
88.35201	0.7
91.05471	1.9
93.07053	1.0
95.04970	25.2
95.08598	0.6
97.02863	1.8
97.06538	0.8
99.00857	0.8
99.04465	0.6
105.03378	2.0
105.04488	1.3
105.07042	1.4
107.04955	73.5
107.08586	0.9
109.02877	20.1
109.10181	1.1
115.05447	0.8
119.04916	4.3
119.08598	1.1
121.10126	1.3
123.04424	100.0
127.03940	1.2
129.06973	0.7
130.06548	1.5
131.04875	1.1
131.08533	0.8
133.02835	1.5
133.06413	1.1
133.10110	1.1
135.04396	2.7
137.02324	1.5
137.05978	1.8
139.03893	21.2
143.04933	2.3
147.04417	17.4
151.03903	73.5
153.05434	1.1
159.09204	1.6
159.11710	0.7
161.05995	7.4
163.03896	5.1
163.07523	0.8
165.05464	13.7
168.96394	0.7
169.04965	15.8
173.05997	2.0
175.03845	0.8
177.05493	1.1
179.07045	3.7
181.04994	1.7
188.07080	1.0
189.05457	1.8
193.04967	3.2
197.05991	1.0
199.07594	0.7
203.07088	0.8
205.08611	2.6
207.06506	9.2
215.07104	1.6
217.08554	1.1
217.12230	0.8
227.06938	10.0
229.08629	0.9
231.06552	1.1
235.09605	2.9
235.13268	1.5
235.16960	1.0
236.10696	5.0
239.06848	1.0
245.08087	60.3
246.08257	0.7
249.07642	1.5
257.08109	6.3
273.08237	1.2
285.07568	3.8
291.08588	9.0
301.87207	0.8
303.08633	37.7
379.11798	2.9
397.12735	10.3
397.17416	2.0
397.21591	5.2
397.26419	1.1
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	Ponganone VI
Peak:m/z	Relative Intensity
55.01879	1.0
57.73495	0.8
66.19313	0.6
67.05496	0.9
67.53902	0.6
69.03438	1.1
69.40121	5.5
79.05500	1.3
81.07069	1.4
83.04990	1.0
85.02911	1.5
91.05492	8.0
93.03402	0.6
93.07029	1.1
94.04186	1.2
94.92842	0.7
95.04960	1.4
96.08978	0.6
103.05464	2.0
105.07038	3.0
107.04960	2.1
109.02900	1.7
109.06509	1.9
115.05478	1.7
117.07081	0.8
119.04965	4.4
119.08627	1.4
121.06487	1.1
121.10175	0.7
122.03660	5.3
123.04482	0.8
124.05248	0.8
128.06229	2.7
129.07021	5.0
131.04942	2.6
131.08592	4.3
133.02834	1.1
133.06526	0.8
133.10120	1.7
135.04395	1.0
137.05989	69.1
138.06351	1.0
141.07008	2.8
142.07796	2.0
143.08577	1.9
144.05730	2.2
145.06485	1.3
146.03658	1.2
146.07312	0.8
147.04439	3.1
147.07971	1.2
149.05989	4.1
149.09651	1.0
151.03938	1.1
151.07549	9.2
152.06242	1.6
153.07013	2.5
154.07793	0.9
155.08600	3.9
157.06529	2.9
157.10144	1.3
158.07387	1.7
159.08064	5.8
160.05202	0.9
161.06007	10.4
161.09610	2.8
163.07516	1.4
165.07019	5.0
167.08586	2.9
168.05606	0.9
169.06450	1.5
170.07292	2.5
171.08054	3.7
172.08852	2.5
173.09627	1.5
174.06738	1.0
175.07541	3.3
177.05495	0.9
181.06483	1.5
182.07280	4.8
183.08025	4.6
184.05199	1.6
184.08871	3.1
185.06026	1.4
185.09619	8.9
186.06839	1.6
187.07578	4.5
187.11189	1.3
189.09146	2.5
189.12801	1.6
191.07019	4.3
193.06657	0.8
194.07335	2.0
195.08078	2.8
197.06021	1.6
197.09662	8.3
198.06793	12.5
199.07565	6.7
199.11218	1.2
200.08330	2.1
201.09123	3.4
202.07851	1.7
203.10641	1.1
205.08632	1.3
209.06186	1.0
209.09692	1.1
210.06854	2.5
211.07503	3.2
212.08377	5.1
213.09123	20.9
215.08803	1.3
215.10730	4.4
217.08481	1.1
217.10280	1.6
217.15984	0.8
219.07988	0.7
224.08318	1.4
225.09149	10.8
227.10585	1.3
228.07742	1.3
229.08403	1.5
229.10374	1.5
231.08072	1.8
231.10127	1.4
233.09731	1.3
235.13351	0.8
235.16983	0.9
237.09015	1.0
241.10432	0.8
242.07199	0.8
242.09482	1.4
243.08028	1.4
243.10184	17.0
244.08844	1.1
245.09644	2.6
245.11824	1.1
247.07545	1.4
248.08356	1.9
249.05330	0.8
255.10182	5.0
257.09634	2.1
259.07657	2.1
259.11176	1.7
260.08301	1.5
261.09183	4.2
262.09818	1.3
263.10776	1.3
264.07739	1.3
265.08594	1.9
269.06018	0.7
269.09631	1.1
271.07532	2.2
273.11276	52.1
274.09799	1.7
275.07492	0.9
275.10703	4.1
276.07877	2.3
277.08661	3.6
277.12326	2.3
278.09454	1.9
279.06763	0.9
279.10095	1.0
283.09842	0.9
284.08347	0.7
285.09146	2.9
286.09714	1.6
287.07230	1.2
287.10510	1.5
288.07877	1.3
289.08673	3.0
289.12280	1.9
290.09421	1.5
291.10211	5.7
291.13345	1.0
292.07327	2.3
292.10812	1.1
293.08139	2.3
293.11765	3.5
295.09641	0.8
301.08685	2.5
302.09381	2.0
303.10257	4.2
304.11093	1.5
305.08206	1.8
305.11783	2.5
306.08841	2.1
307.09717	10.0
308.10214	3.5
309.11417	1.4
310.08749	0.8
317.11649	4.0
319.09793	2.3
319.13254	0.9
320.10480	1.7
321.11261	7.2
322.11911	1.3
323.12891	1.1
325.10754	2.9
329.11694	1.7
331.09564	1.0
333.11264	3.6
334.11945	2.2
335.12952	4.7
336.13641	2.5
337.14389	2.0
339.12366	2.1
346.12207	1.1
347.12796	1.1
349.14426	4.5
351.12256	10.0
351.16000	1.2
353.13998	2.9
354.14655	16.7
361.14389	1.5
365.14026	1.4
366.14542	1.2
367.15457	5.3
379.15375	14.5
397.16544	100.0
397.25412	37.4
398.16891	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
69.03433	0.5
70.12074	0.9
70.12492	0.6
71.04985	0.6
81.03429	0.4
85.02912	0.8
97.02875	0.7
98.97594	0.8
104.70226	0.3
105.03383	1.3
113.40403	0.3
176.42316	0.3
200.63820	0.3
219.65274	0.3
233.01389	0.3
234.07658	0.4
397.11060	100.0
398.11273	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1285
Annotation	8-C-Methylvelloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.01611	0.4
51.02380	0.9
52.87250	0.4
53.03947	2.0
55.01879	2.4
65.03936	0.5
67.05509	1.3
68.99803	0.5
69.03395	0.5
70.73383	1.3
71.04980	0.5
77.03952	1.4
79.05499	6.4
81.03443	2.1
83.04975	0.9
85.02904	0.7
91.05464	2.4
93.07049	1.2
95.04964	6.2
97.02892	1.4
105.03400	1.4
105.04511	0.6
105.07051	0.6
107.04960	63.1
108.05268	0.5
109.02885	3.4
111.04502	0.6
113.35574	0.5
115.05448	1.0
119.04940	4.7
119.08606	0.7
121.02878	0.9
121.10148	0.6
123.04433	100.0
124.04779	0.5
127.03930	1.0
129.06934	0.6
133.10109	0.6
135.04469	2.9
137.02354	0.6
137.05986	2.3
139.03908	31.1
143.04953	2.1
143.39880	0.5
147.04417	19.7
147.11693	0.6
149.05963	0.9
151.03908	38.6
153.05460	1.5
157.10172	0.6
161.05992	7.0
163.03912	6.3
165.05487	13.9
165.06885	1.0
169.04968	2.2
169.06351	0.8
172.82385	0.4
173.05972	2.0
175.03896	1.7
177.05501	1.1
179.03427	0.5
179.07036	3.5
181.04967	2.5
181.06386	0.5
185.06047	0.5
189.05481	2.2
193.04965	3.1
197.05891	0.5
201.05450	0.5
205.08589	2.0
207.06544	8.0
211.07552	1.3
215.06958	1.4
217.08510	0.7
217.15848	0.7
225.05365	1.3
227.07019	12.1
229.08574	1.3
231.06509	1.1
235.09395	0.6
239.06970	1.7
243.06424	0.9
245.08098	12.9
249.07550	1.4
257.08084	6.8
267.06482	1.0
273.07516	1.5
273.10989	0.4
285.07605	4.1
291.08643	9.2
303.08640	39.5
304.08936	0.6
379.11670	3.0
397.12418	7.5
397.16617	1.5
397.25342	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
54.27365	0.4
55.05509	0.6
57.03440	0.9
57.07059	0.4
59.05005	0.6
61.02919	0.5
61.29985	0.4
62.04477	0.4
67.05489	0.6
69.03434	3.4
70.25127	0.4
71.04998	1.4
71.56708	0.8
73.02913	1.6
77.93873	0.4
79.05476	0.6
81.03423	4.2
81.07054	1.2
83.04955	0.5
85.02910	6.7
85.06561	0.7
86.33805	0.4
87.04461	1.6
89.03890	0.5
91.05447	0.6
93.07050	1.2
95.08610	0.8
97.02904	10.2
98.96992	0.4
98.97599	1.2
99.04480	2.1
107.08616	0.9
108.78564	0.6
109.02896	3.4
109.06536	0.7
113.05980	0.9
116.04942	0.7
119.08684	0.4
121.06451	0.5
121.10159	0.9
123.08049	0.8
123.11774	0.8
127.03925	6.8
127.07505	0.6
135.11696	0.6
137.06042	0.5
138.69392	0.4
139.07570	0.5
139.11186	0.8
141.09077	0.5
144.04449	14.3
145.05006	1.3
147.04442	0.8
155.07114	0.5
162.05513	100.0
163.05884	1.0
172.03879	0.8
181.12251	0.8
190.05003	85.6
191.05380	1.0
199.13345	1.5
227.09187	0.5
232.06035	0.8
286.07202	0.8
316.08170	34.7
317.08405	0.8
334.09274	7.8
346.67450	0.5
370.68265	0.4
396.13474	7.6
397.09146	0.6
403.57843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05510	9.2
57.07077	15.4
59.05003	4.0
61.02932	0.9
67.05512	1.2
69.03428	2.0
69.07070	65.9
69.57177	4.3
70.07388	0.7
71.04980	5.2
71.08630	11.0
73.06556	12.9
73.71990	0.7
81.03426	1.6
81.07068	1.2
83.08621	2.7
85.02911	9.2
85.10182	4.9
89.06035	35.5
91.05487	1.4
93.07045	1.3
95.08603	1.1
97.02905	2.8
98.21543	1.2
98.97585	1.2
99.04440	0.9
105.07024	1.2
107.08598	1.0
109.02843	0.7
109.53014	0.6
111.11722	87.3
116.10754	0.7
116.98664	0.9
119.08633	0.8
127.03930	3.0
129.12759	100.0
131.04881	0.6
137.09665	0.7
143.10669	0.6
145.04959	1.3
186.92007	0.6
199.16946	15.4
217.17996	12.6
298.20026	1.6
307.18970	0.7
357.93283	0.6
393.80142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.5
57.07077	21.9
65.03947	1.2
67.05505	23.9
69.07068	29.4
69.53299	9.8
71.08635	19.4
79.05487	12.3
81.07059	63.8
83.08623	14.5
85.10191	11.9
91.05482	22.2
93.07053	20.0
93.24562	1.4
95.08610	40.3
97.10162	10.7
105.07035	33.9
105.27978	1.4
107.08605	20.0
108.25873	1.3
109.10152	17.5
111.11716	9.1
115.05440	2.3
117.07019	14.9
119.08581	13.9
121.10140	7.6
123.11720	8.8
125.13293	4.3
129.07001	4.8
130.07802	2.9
131.08569	19.0
133.10127	33.6
135.11661	5.5
137.13243	5.1
142.07755	2.4
143.08582	5.2
144.09335	2.0
145.10132	56.9
147.11693	23.7
149.13290	3.9
151.14822	2.2
157.10156	9.5
159.11705	39.3
161.13284	7.1
171.11638	4.0
173.13219	10.5
175.14763	2.2
185.13284	7.1
187.14810	7.3
189.16417	1.7
199.14825	10.0
201.16428	4.8
213.16396	6.0
215.17929	3.5
227.18045	4.9
241.19467	4.9
247.24214	2.9
255.21135	4.2
275.27170	2.0
283.24078	1.8
289.28818	2.0
301.29077	2.2
395.36755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12733	1.7
55.05514	9.3
57.07072	14.1
59.02375	1.6
60.15241	1.8
67.05505	19.8
69.06793	1.5
69.07076	17.3
70.09239	1.7
71.08632	14.3
79.05500	9.7
81.06593	3.2
81.07059	48.9
83.08633	12.3
85.10188	13.2
90.26292	1.7
91.05489	15.6
91.05984	2.8
93.07051	14.0
93.21287	2.0
95.08614	31.3
97.10146	12.8
105.07034	30.2
107.08564	18.3
109.10130	14.2
111.11726	7.5
117.07054	13.4
119.08586	14.2
121.10144	8.4
123.11732	8.9
125.13238	2.0
129.07005	4.0
130.07693	2.0
131.08562	14.9
133.10143	31.0
135.11688	5.3
137.13232	4.4
142.07765	2.5
143.08560	3.0
144.09245	2.0
145.10133	48.3
147.11703	22.0
151.14825	3.3
157.10147	9.6
159.11691	32.7
161.13219	5.0
163.14838	2.4
173.13286	11.9
175.14790	4.0
185.13222	4.4
187.14861	5.2
189.16414	2.9
191.17964	2.0
199.14816	8.0
201.16409	2.1
213.16382	6.1
227.17979	4.1
241.19453	5.4
255.21165	5.0
275.27319	2.7
276.57220	2.2
301.28659	1.8
395.36716	100.0
396.36993	2.9
406.26343	1.9
406.33261	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05508	0.7
57.03436	0.7
59.04996	0.6
61.02916	0.9
62.71001	0.5
67.05522	0.8
69.03439	4.3
69.71738	0.9
69.72163	3.1
71.04999	13.7
72.06604	0.7
73.63713	0.5
79.05501	0.8
81.03413	3.2
81.07072	4.7
83.04978	0.9
83.54520	0.6
85.02906	10.3
89.06036	100.0
91.05484	1.5
93.07030	1.5
95.04942	1.0
95.08604	1.1
97.02894	7.5
98.97601	1.2
99.04469	3.3
99.08099	1.6
105.07030	0.9
107.04961	1.2
109.02879	3.6
111.08100	0.7
117.05531	0.7
119.08576	0.8
119.25052	0.6
121.10146	0.6
123.04449	0.6
127.03917	6.4
131.08601	0.9
135.05495	1.2
135.06535	22.4
138.72813	0.5
145.04930	3.8
147.04449	0.9
147.11513	0.6
158.99699	0.9
161.05904	0.6
163.06117	0.7
166.28094	0.6
183.10146	0.7
201.07846	1.0
207.10236	0.8
215.09192	1.2
217.07068	0.7
233.10132	0.7
243.08754	0.9
261.09796	1.9
279.10855	2.1
281.10867	0.6
299.05695	0.8
315.14633	0.8
375.97913	0.6
377.06583	1.0
395.07614	1.7
395.12558	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	395.2043
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
58.82504	0.4
61.55132	0.4
67.05482	0.5
69.03463	0.5
71.46307	0.8
79.05473	0.6
80.68475	0.4
81.03407	0.8
81.07071	0.8
86.24135	0.5
91.05476	1.3
93.07045	0.9
95.08618	0.5
105.07024	1.7
107.04943	1.2
109.10140	0.8
122.09152	0.4
131.08527	0.7
133.10164	1.2
135.08008	0.4
147.04385	1.1
151.07567	0.9
163.03885	0.4
163.11195	0.8
171.30576	0.4
179.53467	0.4
193.12280	5.1
222.45488	0.4
380.14468	0.7
395.16422	27.2
395.20389	100.0
396.20706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88176	0.4
64.54205	0.4
66.20889	0.4
69.23276	2.3
69.23694	1.6
91.05472	1.3
92.76557	0.4
93.07011	0.6
105.07024	1.8
107.04903	0.5
119.04967	0.4
121.06506	0.4
131.08551	1.7
133.10118	1.8
135.08047	0.6
147.04388	1.4
148.08855	1.1
151.07515	1.7
163.11227	2.1
170.94293	0.4
173.09760	0.4
178.09882	0.5
186.47302	0.4
193.12256	10.4
283.33200	0.4
335.14374	0.4
365.11801	0.5
380.14401	0.7
395.16696	100.0
396.17032	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
57.03432	1.3
60.59420	0.4
60.70954	0.5
61.02921	0.6
67.05505	0.9
68.78130	0.4
69.03423	4.5
69.54572	1.5
69.55001	1.5
71.04996	14.8
79.05490	1.0
81.03422	3.5
81.07063	4.6
83.04972	0.6
85.02910	9.3
89.06033	100.0
91.05501	0.6
93.07027	0.7
95.08588	1.1
97.02892	8.7
97.06557	0.5
98.97625	0.5
99.04455	3.6
99.08085	2.2
103.03912	0.4
105.07025	1.0
109.02885	3.2
111.04434	0.5
112.34546	0.4
115.03880	0.4
117.05508	0.5
119.08577	0.5
121.10169	0.6
127.03916	6.5
127.07533	0.5
131.08566	0.4
133.06569	0.5
135.06532	25.2
145.04964	4.7
145.10065	0.5
147.04419	0.5
147.11745	0.5
161.06007	0.7
163.06067	1.1
183.10216	0.5
207.10193	0.5
215.09200	1.0
217.06947	0.7
219.06296	0.8
219.68918	0.5
225.11259	1.0
233.10277	0.6
240.50095	0.5
243.08699	1.3
261.09784	2.1
277.21399	0.4
279.10651	2.7
301.62152	0.5
315.14377	0.6
359.17279	0.8
377.13516	0.5
377.33521	0.4
395.09152	8.6
395.13589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.4
66.86841	0.4
69.03421	1.1
71.04968	0.6
71.38651	0.8
81.03387	0.5
81.07045	0.6
83.73139	0.3
85.02914	2.0
87.04455	0.4
89.06014	0.5
91.05486	2.5
97.02883	0.7
97.06553	0.5
98.97607	1.0
105.07021	0.7
107.08584	0.4
109.02886	0.5
110.97595	0.7
116.98608	0.5
127.03912	0.7
131.08653	0.5
147.04398	0.4
161.01205	0.5
163.03969	0.7
175.52396	0.4
185.04196	2.6
201.05919	0.8
203.07597	0.6
209.11618	0.4
210.06467	1.0
217.04782	1.1
219.01692	0.5
232.07108	7.2
233.05586	0.7
233.07845	6.9
237.02841	0.5
243.05548	0.9
251.88965	0.4
269.03192	0.5
291.09253	0.4
293.48395	0.4
293.89206	0.4
307.16287	0.4
395.13153	100.0
396.13657	1.9
401.11121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.2
55.01863	10.1
57.03431	11.7
61.02927	10.6
66.32298	3.7
67.05488	9.4
68.99793	18.7
69.03436	29.2
70.88916	7.5
70.89280	9.3
73.02901	8.4
78.57952	3.3
79.05495	8.4
81.03408	16.0
81.07034	10.2
82.40933	4.0
83.04971	4.9
85.02911	56.1
85.06558	4.2
87.00825	34.8
91.05474	13.9
93.07040	4.0
95.04959	4.6
95.08636	4.9
97.02892	11.0
99.04445	7.2
103.03922	12.9
103.05471	4.5
105.01861	8.1
105.03371	7.3
105.06981	6.8
107.04944	14.1
107.54228	3.5
109.02853	6.6
109.10114	4.6
111.04443	5.0
115.05472	16.9
116.06202	3.7
117.07034	31.6
119.04957	7.0
121.06554	5.2
123.04432	7.9
124.13286	4.1
127.03890	6.4
128.06238	15.9
129.01836	16.2
129.07008	39.9
131.04916	17.0
131.08563	9.9
131.31772	4.0
132.05717	4.4
135.04419	8.7
137.05998	29.0
137.59363	3.9
139.03865	5.9
141.06978	15.8
143.04950	6.5
143.08571	6.7
144.05722	13.2
145.06480	26.3
147.02936	8.6
147.04388	16.9
151.03958	3.9
151.07547	8.2
152.06247	9.2
153.06956	7.6
155.08543	8.0
157.06427	23.7
158.07253	8.4
159.08098	8.0
160.05191	23.7
161.06004	10.3
161.09665	5.8
163.03918	4.7
163.07530	11.4
165.07001	4.0
167.08582	20.9
169.06479	13.9
170.07224	5.9
171.08011	19.1
172.05197	11.2
174.06812	19.5
175.07573	100.0
177.09131	56.7
181.06554	9.1
183.08101	11.2
185.09731	6.2
186.06827	6.9
187.07552	97.6
188.08337	5.1
189.03917	16.5
189.05467	4.8
189.09122	58.4
190.06252	5.6
191.06993	5.8
191.10706	9.9
193.08688	7.1
195.08040	38.0
197.05994	6.8
198.06818	3.9
199.07498	18.3
200.08530	4.9
201.09105	67.7
203.10649	14.5
205.08598	9.7
211.07491	9.3
212.08403	8.2
213.09100	23.8
214.06236	7.2
215.10689	13.4
215.14307	4.1
216.07829	6.6
217.08586	11.7
217.12244	6.4
223.07553	12.7
225.08952	4.4
227.10678	45.1
229.08659	15.2
231.10185	29.5
233.13626	5.0
237.09187	8.2
241.08659	4.2
243.10112	10.7
245.11687	12.1
255.10168	71.2
273.11230	49.8
291.12280	12.6
320.74823	4.3
395.24576	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36881	0.4
58.17185	0.4
61.48788	0.4
69.73528	2.1
69.73940	0.7
72.11395	0.4
169.65163	0.5
185.04230	3.6
217.04787	0.8
232.07088	9.8
233.07867	6.6
364.11432	1.6
365.12357	0.7
387.46939	0.5
395.13159	100.0
396.13470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15314	0.8
55.01866	1.1
55.05504	1.5
56.96556	2.4
57.03434	1.8
57.07055	1.2
67.05483	2.5
69.03429	3.6
69.07059	1.1
71.04999	5.9
71.56457	1.0
73.02904	1.4
75.57081	0.7
79.05497	2.6
81.03399	2.8
81.07039	3.4
83.04969	1.5
85.02899	8.0
85.06533	1.3
87.04434	1.3
89.06033	21.7
91.05476	6.3
93.07038	4.7
95.04944	2.1
95.08587	2.8
97.02888	5.6
97.06542	0.9
98.97575	4.2
99.04442	2.0
105.03368	1.3
105.07005	2.2
107.04902	2.2
107.08590	3.4
109.02839	2.2
109.06513	1.1
109.10176	1.1
113.05203	0.7
116.98595	1.3
117.07046	0.8
119.04914	1.3
119.08576	1.4
121.10177	1.8
123.07983	0.9
127.03911	4.1
127.07567	0.9
133.10118	2.2
135.06535	6.4
135.11659	2.2
144.04465	3.4
145.04929	1.3
145.10126	1.3
147.04370	3.1
147.11630	0.8
149.09621	0.8
153.09146	1.2
158.99706	1.4
162.05511	27.2
164.07056	0.8
171.04868	0.8
173.13240	0.8
178.97427	0.8
181.04985	0.7
190.04993	19.9
197.11600	1.3
200.07007	1.5
200.57140	1.3
214.08557	0.8
215.14363	1.1
219.01744	1.2
219.06302	11.3
237.02913	1.1
242.10612	0.9
243.08762	0.8
261.07507	1.0
305.20956	1.2
316.08160	9.3
334.09085	2.1
341.23181	1.8
395.09457	100.0
395.22855	8.5
395.34897	0.8
396.13217	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11730	1.0
55.01863	5.1
55.05500	2.6
55.35247	0.9
57.03403	1.1
57.08461	1.0
67.05503	1.9
69.03416	2.3
69.05698	0.9
69.07039	1.0
69.35429	7.4
70.06593	1.5
72.08151	5.1
79.05477	2.7
81.03426	2.0
81.07059	12.9
82.64507	1.0
84.04501	1.4
85.02908	6.5
91.05492	2.2
93.07067	2.1
95.04931	1.1
95.08623	1.6
97.02892	2.4
98.97588	3.1
99.04446	1.5
102.05526	1.1
105.07028	2.9
106.02900	3.7
107.03962	1.0
107.08540	1.9
109.02882	2.4
109.06513	8.1
109.10135	1.9
111.04444	2.7
113.06025	2.0
120.08114	3.3
121.06465	1.3
123.11707	3.1
124.03957	5.0
125.05970	5.9
127.03901	3.6
131.04944	1.4
133.10139	3.3
137.05986	100.0
137.09587	2.3
144.17674	1.3
151.11183	4.7
152.04565	1.1
153.84566	1.1
161.09590	4.8
166.08632	1.3
179.10686	36.0
183.11261	1.9
197.11748	79.3
201.12421	1.4
215.12779	1.2
254.79004	1.3
268.08157	2.1
345.56229	1.1
376.12372	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0864
Annotation	FL 120B'
Peak:m/z	Relative Intensity
51.29134	0.8
56.96567	15.5
57.03416	0.9
58.03836	0.8
59.55700	0.7
64.32896	0.9
65.52735	0.8
69.03415	1.8
70.98107	2.4
71.53900	1.4
72.38934	0.8
84.96049	4.0
85.02889	1.6
88.99133	2.7
97.02880	2.3
98.97582	100.0
99.87430	0.9
110.96838	1.8
110.97563	23.6
112.99129	8.0
116.98623	21.6
124.99104	7.6
126.97030	1.6
127.00641	2.2
128.98608	13.9
131.00180	5.0
131.01944	1.2
133.03436	0.9
134.99615	1.6
136.99069	1.3
140.98558	2.8
143.00151	8.8
144.98108	1.0
145.01694	3.1
145.04926	0.9
145.52829	1.0
146.99652	7.5
149.01207	1.1
152.98596	2.4
155.00160	3.8
156.98022	1.5
158.99658	44.7
161.01224	5.8
163.02745	2.0
165.00711	1.7
170.99641	7.6
173.01274	4.1
174.99135	4.7
177.00720	18.9
185.01237	9.4
186.99199	1.0
187.02789	2.8
189.00758	8.3
191.02235	2.3
193.00150	2.0
194.99678	1.0
197.01189	1.3
201.00685	12.7
203.02289	4.3
203.03929	1.3
204.03021	0.9
205.03809	2.0
207.01747	3.1
208.23634	1.0
209.01282	1.9
214.95624	1.0
215.02289	3.1
217.03931	1.2
219.01770	70.6
232.99789	1.0
233.03278	2.1
237.02824	46.2
245.03311	6.4
249.02896	1.2
251.04324	1.1
255.03821	1.8
257.03311	3.2
261.02802	6.9
265.07672	1.3
273.09143	1.2
275.01285	1.3
275.04306	7.8
276.04666	1.0
279.03876	20.7
287.04376	3.4
293.05414	9.3
295.06995	2.1
303.00125	2.1
305.05411	7.2
310.97003	0.8
317.05426	8.5
321.01462	1.0
321.04947	11.8
323.06409	1.6
331.58710	0.9
334.08878	0.9
335.06519	42.7
335.10233	4.0
353.07553	23.7
365.14929	0.8
377.07480	1.8
395.08493	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	394.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.05510	0.5
56.96529	0.4
57.03418	0.5
57.07047	0.6
61.02909	0.8
67.05473	0.4
69.03426	2.6
69.07033	0.9
70.41104	1.1
71.04968	0.9
71.61198	0.3
73.02921	0.4
75.37803	0.4
79.05504	1.7
79.05851	0.3
81.03400	0.8
81.07037	1.0
85.02907	4.2
87.04456	0.5
91.05469	0.9
93.07034	0.8
95.04946	0.6
95.08555	0.9
97.02889	2.0
98.09663	0.4
98.97591	1.7
99.04405	0.6
107.04958	41.8
108.08122	0.6
109.02889	0.7
109.06494	0.8
110.06036	2.1
117.07080	0.4
121.02897	0.4
122.06020	0.4
124.07616	3.4
125.08383	5.1
126.09160	27.5
127.03890	1.4
128.22269	0.5
131.08533	0.4
133.06480	0.5
135.09933	0.3
138.09137	3.1
138.38080	0.4
141.05446	0.4
145.06464	2.3
146.05998	1.5
147.04393	1.4
147.08070	1.0
158.99608	0.8
159.08046	0.5
174.05490	1.1
176.95744	0.3
179.14513	0.3
187.11240	0.8
194.52547	0.4
197.15398	0.5
203.05290	0.5
204.13850	1.2
214.12274	1.4
215.10713	2.8
215.16519	0.4
232.13333	100.0
233.13632	1.5
265.19830	0.3
294.70862	0.4
300.08804	0.9
394.19034	11.9
395.20447	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	394.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01853	0.5
57.03433	0.8
60.73085	0.2
61.02913	1.0
69.03431	2.8
70.44456	0.9
71.04988	0.3
73.02908	0.7
74.67062	0.3
79.05499	1.6
81.03413	1.0
81.07043	0.7
83.08631	0.6
85.02912	3.9
91.05477	0.9
93.07050	0.5
95.04955	0.5
97.02898	1.7
97.06577	0.3
98.06036	0.3
98.97552	0.8
107.04958	42.4
108.08106	0.6
109.02879	0.9
109.06509	0.7
110.06030	2.0
122.06037	0.5
123.17426	0.3
124.07589	3.1
125.08372	5.5
126.09158	27.2
127.03950	1.0
131.55951	0.3
138.09148	5.0
147.04395	0.3
159.08015	0.7
172.21567	0.3
187.11179	1.1
197.09641	0.5
214.12256	1.8
215.10706	5.5
232.13330	100.0
233.13728	1.2
309.44653	0.3
394.19009	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	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.3
53.84713	1.7
55.01871	2.3
56.96580	9.5
57.03453	2.9
58.33260	2.1
60.04511	2.6
61.02918	1.7
69.03423	9.8
71.53651	2.9
73.02928	3.0
79.05495	3.5
81.03418	4.9
84.04480	2.8
84.08154	19.8
84.95992	2.9
85.02914	29.9
87.04482	2.0
89.06033	1.7
91.05489	14.6
95.04984	3.0
97.02911	11.8
98.97598	14.3
99.04423	4.2
105.03418	1.7
105.21529	1.8
107.04974	11.2
109.02830	3.9
112.99157	2.1
115.03916	2.2
115.39736	1.7
115.90904	1.8
116.07081	8.5
116.98528	2.9
119.04956	45.6
120.08108	3.2
121.06507	3.8
127.03923	5.8
128.98616	2.6
133.06438	1.7
135.04414	13.1
136.06197	2.0
137.05031	2.8
137.06001	47.1
139.03877	2.5
143.00206	3.1
144.98055	2.7
145.04959	7.3
146.99706	2.2
147.04417	84.5
149.05984	8.1
151.07536	11.2
161.01175	2.8
165.05351	2.0
167.07045	24.0
177.05486	2.9
178.48712	2.0
179.07056	100.0
191.07076	2.2
197.01244	7.8
197.08095	6.7
206.64235	1.9
215.02292	3.2
219.01686	5.2
237.02849	5.9
239.02293	3.0
248.99173	2.6
277.02374	2.4
279.01639	2.4
293.10156	1.9
305.09122	2.5
311.11182	6.7
330.20178	5.2
394.20129	4.0
394.34528	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	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01866	1.0
56.96568	8.5
57.03425	2.9
60.12465	0.7
60.23088	0.8
61.02918	3.2
65.03932	0.9
69.03435	8.3
69.46957	2.0
69.47364	4.2
70.06573	0.8
70.60445	0.8
73.02908	3.0
79.05499	1.5
81.03442	4.3
81.03850	0.9
84.96017	1.6
85.02906	21.5
87.04453	1.1
90.87695	0.8
91.05482	8.4
97.02889	7.6
98.97588	18.5
99.04433	2.7
105.03355	1.1
107.04958	4.4
109.02863	1.9
110.97585	3.9
112.07602	1.8
115.03899	0.9
115.97778	0.8
116.98643	6.2
119.04948	19.5
121.06573	1.5
122.03668	1.2
123.04459	1.0
124.99171	1.1
127.03947	5.3
128.98618	2.8
130.08617	2.6
131.00186	1.2
131.04945	1.7
134.99652	1.1
135.04428	1.7
136.06128	1.2
137.05981	100.0
138.06299	1.1
143.00160	2.7
145.04968	3.5
146.99658	1.0
147.04414	48.6
151.07539	3.6
155.04680	1.4
158.99654	6.6
161.01219	1.5
161.04680	1.0
163.03876	2.5
163.07588	1.3
166.07254	1.1
167.07014	4.4
168.03461	0.9
170.99606	1.4
171.03415	0.8
177.00635	4.4
177.05576	2.1
179.00191	1.7
179.07042	55.4
181.08636	1.1
186.04402	1.8
189.00676	1.3
197.01245	8.6
197.08104	23.5
201.00629	1.6
204.05582	1.1
214.05107	1.2
215.02271	2.8
219.01744	5.4
222.04608	1.1
223.05466	3.7
223.09041	1.4
227.06866	1.7
227.08997	1.2
236.07248	1.6
237.02846	5.9
239.02245	2.9
257.03488	1.0
258.70920	0.8
261.02863	1.2
262.06454	0.8
263.58392	0.9
265.03912	1.2
283.04779	0.9
284.01355	1.4
295.07709	6.8
295.57825	1.3
304.08075	8.6
304.58365	1.3
305.07828	1.1
309.08493	1.7
313.08472	1.3
314.09314	0.8
325.05978	1.5
353.01941	1.9
360.27106	0.9
371.02744	2.6
394.14276	1.1
415.08920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01846	4.7
55.05515	23.0
57.03455	5.3
57.07062	8.3
59.04990	5.5
67.05505	57.3
69.03433	9.9
69.07079	26.1
70.07839	4.1
71.04977	15.4
73.06535	4.2
73.87615	3.6
79.05499	20.3
81.07053	74.8
82.30846	4.0
83.04983	12.2
83.08604	9.1
85.02888	12.4
85.06544	9.1
91.05463	19.2
93.07042	50.8
95.04940	11.4
95.08618	38.1
97.02879	8.6
97.06538	35.1
97.10133	5.2
98.97580	4.7
99.04437	8.4
101.06021	8.1
105.07013	21.9
107.04976	5.9
107.08596	56.4
109.06528	10.9
109.10165	100.0
110.07159	10.3
111.08061	10.3
115.07529	9.0
117.07016	4.5
118.46906	4.2
119.08572	9.9
120.08092	11.1
121.06487	6.0
121.10156	17.6
123.08047	5.3
123.11707	31.5
125.09630	12.8
125.13185	4.6
127.03918	8.3
133.10130	14.9
135.11732	25.6
137.06044	4.2
137.09647	6.2
141.01804	3.9
141.09079	9.8
143.08493	6.3
143.10707	8.7
145.04887	4.1
145.10124	8.4
146.06029	5.4
147.04391	4.6
147.11598	4.4
147.35190	4.2
149.13239	9.3
151.11134	10.1
153.12759	24.0
155.10645	12.1
159.11707	8.7
161.09612	4.9
161.13243	7.6
169.12230	28.1
171.13837	4.8
173.11752	4.2
187.13312	20.8
202.00107	4.6
205.14323	7.9
231.09512	12.9
257.10025	4.8
269.17535	5.2
303.23187	5.8
309.24304	20.3
321.24179	29.1
321.90210	4.9
327.25317	4.7
339.25278	17.4
393.11145	6.3
393.18976	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91422	3.5
55.05519	37.1
57.07073	22.4
64.85778	3.5
67.05491	7.7
69.07072	28.0
70.71718	10.9
71.08611	10.5
71.83350	3.7
79.05475	8.9
81.07062	51.4
83.08627	100.0
91.05497	8.5
93.07038	8.0
95.08608	10.8
97.10178	11.9
105.07010	9.7
107.08581	10.0
109.10134	11.7
119.08618	4.2
121.10165	5.7
123.11702	4.9
129.07040	6.9
131.08597	6.0
133.10089	10.5
141.06950	3.9
143.88483	3.7
145.10152	13.4
147.11658	9.2
155.53133	3.9
156.09355	4.0
157.10149	19.0
159.11694	10.3
169.78548	3.7
177.89005	3.9
201.16437	4.0
211.14708	4.5
253.19643	8.9
295.24170	7.0
381.40216	4.2
393.30530	6.9
393.35190	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01875	2.7
55.05510	20.9
57.07069	8.9
59.05007	3.0
67.05511	36.2
69.03415	3.4
69.07064	20.8
69.49112	19.4
71.04995	3.8
79.05492	37.7
81.03423	3.1
81.07061	70.6
82.93680	2.6
83.04967	6.9
83.08620	5.5
85.06535	3.8
91.05480	60.3
93.06483	5.4
93.07050	90.5
95.04976	51.6
95.08607	60.5
97.06526	12.0
97.17226	2.7
98.20779	5.5
103.05441	5.4
105.07035	99.4
107.08606	54.0
109.06543	17.5
109.10158	29.9
111.08109	3.3
113.36827	2.4
115.05431	3.6
117.07030	22.0
119.08591	100.0
119.09458	4.9
121.06505	24.2
121.10155	40.8
123.08057	8.2
123.11698	11.4
128.06207	10.7
129.07004	19.1
130.07774	8.5
131.08577	43.9
133.06512	3.7
133.10133	58.9
135.08034	6.6
135.11705	18.3
139.03967	2.8
141.06976	7.1
142.07788	19.5
143.08557	37.7
144.09328	9.5
145.06445	3.5
145.10126	70.6
147.08087	7.5
147.11713	22.9
149.09633	3.9
149.13252	3.6
153.06998	3.6
155.08548	14.6
156.09302	12.3
157.10133	55.6
157.11325	4.5
158.10909	6.5
159.08061	3.2
159.11705	47.0
161.09639	18.3
161.13158	5.3
163.11209	5.6
165.07008	4.6
167.08548	5.5
168.09361	6.1
169.10138	30.3
170.10910	8.7
171.11696	33.1
172.12494	3.5
173.09645	6.0
173.13255	24.7
175.11209	10.6
175.14857	20.2
179.08542	7.0
180.09409	3.8
181.10120	15.0
182.10973	3.4
183.11687	21.3
184.12421	4.3
185.13264	15.5
187.11226	7.0
187.14790	10.8
189.16486	2.6
192.09265	3.0
193.10155	6.2
194.10938	5.0
195.11700	13.8
196.12460	4.8
197.13249	16.9
199.11227	3.0
199.14854	9.5
201.12811	5.6
201.16405	10.5
205.10233	3.1
207.11736	6.7
208.12468	3.2
209.13312	16.4
211.14838	11.7
213.16379	6.2
221.13304	5.2
223.14691	5.6
225.16414	4.9
235.14833	6.2
235.95152	2.5
237.16426	3.3
241.19435	3.4
252.09195	2.5
253.15919	6.7
253.19505	5.0
260.21579	2.6
265.19534	4.4
267.21152	2.9
281.19019	3.9
304.26511	4.3
375.26935	6.8
393.27676	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48295	1.2
54.26862	1.2
56.96564	2.7
67.05494	3.6
79.05474	1.7
81.07072	2.7
89.23431	1.2
91.05474	1.9
93.07018	2.2
95.08617	2.7
105.07037	1.8
109.10196	1.2
131.08556	1.4
132.05315	1.3
135.11707	2.0
149.13313	1.8
278.91171	1.5
296.10754	1.8
315.16199	1.6
332.72379	1.5
333.17270	5.4
351.18204	2.0
362.89081	1.4
376.26105	1.7
392.82309	1.4
393.26080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2637
Annotation	6alpha-malonyloxymanoyl oxide
Peak:m/z	Relative Intensity
50.36269	3.5
54.89922	3.7
55.05515	35.7
57.07082	26.3
67.05511	73.2
67.39788	4.5
69.07074	65.7
69.47089	14.4
69.47514	15.8
71.05013	7.4
71.08637	20.1
79.05488	20.3
81.07062	90.0
83.08621	68.0
85.06521	4.3
85.10202	4.9
89.06053	6.1
91.05479	7.3
93.07048	19.3
95.04994	5.2
95.08614	100.0
97.06561	4.6
97.10178	52.3
98.98485	20.5
105.07010	10.6
107.08591	13.8
109.06512	6.4
109.10161	46.6
111.04449	6.7
111.08113	5.2
111.11714	23.5
119.04939	4.5
119.08624	8.7
121.10161	15.2
123.04457	25.3
123.11739	19.8
125.13270	8.2
127.03916	56.6
133.10153	10.8
135.11703	18.5
137.06009	17.2
137.09564	4.2
137.13237	7.6
139.03903	92.5
139.11163	4.3
143.08562	4.8
147.11693	13.0
149.13275	17.2
151.11185	6.0
153.01820	20.2
153.12791	10.3
155.01062	29.2
155.03391	21.5
161.13249	8.1
165.05499	18.2
165.12776	10.0
165.16254	4.2
167.14282	6.6
173.13367	4.1
175.14833	10.6
179.14305	6.5
183.12099	3.7
193.15945	7.7
195.12367	7.1
199.65297	4.3
205.41040	4.3
231.21080	30.2
239.23674	4.4
249.22144	27.1
267.22980	6.7
375.25211	17.5
375.29224	8.9
376.25946	6.1
393.18979	5.5
393.26010	8.3
393.34625	4.7
401.55099	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	393.1885
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
62.63436	0.2
67.74541	0.2
69.03419	0.4
69.07062	0.5
69.86205	1.1
71.05008	0.3
79.05477	0.2
85.02892	0.8
87.08105	0.3
93.07024	0.3
95.08602	0.2
97.02885	0.2
98.21514	0.2
99.06058	0.3
107.04956	0.5
107.08604	0.3
120.09705	0.2
123.08088	0.6
126.09141	0.3
127.03898	0.4
130.40457	0.2
130.75708	0.3
133.10138	0.2
135.11729	0.6
136.12073	0.5
196.14134	0.6
198.91090	0.2
203.05280	3.4
213.12572	0.7
231.13545	0.3
232.13322	1.2
362.76581	0.3
393.18845	100.0
394.19281	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	17.9
69.20237	12.6
71.95258	4.8
72.96026	1.2
77.67915	1.1
81.07051	2.4
84.96036	2.0
93.07026	1.3
95.08627	1.9
97.96822	2.0
110.97566	9.6
119.08569	1.7
121.10194	1.4
128.98619	10.1
137.02716	1.1
146.99660	3.8
147.11729	1.4
157.10139	1.3
161.01237	2.1
177.17209	1.2
189.04347	1.2
241.11121	1.6
259.12521	1.3
263.09610	4.2
303.12741	2.9
315.16318	56.6
316.16721	2.4
322.51358	1.3
331.15759	2.9
333.17383	100.0
334.17719	2.3
351.18365	17.2
356.19022	14.2
374.20181	3.8
393.26126	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43233	1.0
57.07076	8.5
58.07406	1.8
67.05499	1.7
69.06337	1.0
69.07069	1.6
70.72044	2.4
70.72396	1.5
79.05497	2.1
81.07064	3.0
91.05494	1.5
93.07066	1.2
95.08595	3.1
95.14206	1.2
105.07041	2.2
109.10175	1.4
121.10128	1.6
127.99976	1.2
135.11681	1.6
137.09558	1.5
145.10194	1.2
161.67691	1.1
193.67522	0.9
195.16528	1.1
249.18503	2.2
308.19763	1.1
309.20114	3.1
375.24744	3.8
393.26141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1884
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
51.82605	0.3
55.05489	0.3
59.10107	0.4
67.05510	0.6
69.50365	2.3
79.05491	0.7
81.07063	0.7
85.02948	0.4
91.05470	0.5
93.07035	0.9
95.04957	0.5
95.08620	0.4
96.18237	0.4
97.06534	0.4
98.97587	0.7
105.07085	0.4
107.04974	0.8
107.08578	0.7
109.10176	0.6
117.06999	0.5
117.47728	0.4
119.08546	0.6
121.10142	0.5
127.03895	0.5
131.04976	0.5
137.05957	0.4
145.10179	0.4
147.04424	0.7
203.05283	19.6
213.12543	3.8
219.01822	0.5
231.13583	0.4
253.04987	2.4
271.14484	0.4
281.04483	1.4
287.05594	0.8
299.05579	1.7
370.07861	0.5
393.18866	100.0
394.19504	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	0.3
69.42480	1.5
72.12556	0.2
81.07034	0.4
81.51833	0.2
82.16487	0.2
85.02895	0.2
91.05441	0.2
93.07041	0.3
95.08582	0.5
109.10158	0.3
119.08614	0.2
121.10151	0.4
135.11729	0.3
137.06061	0.2
147.04453	0.5
157.72356	0.2
167.06909	0.3
186.10577	0.2
258.36499	0.2
358.50531	0.2
379.66974	0.3
393.18826	100.0
394.19159	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71286	0.4
56.08925	0.4
63.22545	0.4
67.05492	0.5
68.05016	1.1
69.03382	0.5
69.99001	1.3
69.99402	0.7
73.02923	2.0
81.07046	0.8
85.02869	0.8
91.05450	0.6
93.07040	0.7
98.21513	0.4
98.97576	0.7
100.77382	0.4
105.07058	0.5
107.04939	0.7
121.10120	0.7
124.05049	0.5
125.06001	2.7
131.08417	0.5
137.05994	1.0
140.03412	1.5
143.04807	0.6
149.09596	1.5
150.09946	1.5
151.03914	6.4
151.05006	0.8
166.07327	0.7
172.06052	0.5
177.16350	0.7
179.07077	1.1
182.07198	0.9
185.08122	0.5
189.06415	0.6
197.08099	3.7
201.06453	1.5
202.07256	1.6
203.08032	1.7
204.08832	7.4
215.08020	2.0
216.08815	100.0
217.09561	3.2
218.10374	4.5
225.06444	11.8
226.07195	2.8
227.08051	1.6
228.08794	1.0
229.09586	1.2
230.10382	10.3
240.08807	57.2
241.09470	2.1
242.10222	0.7
246.09886	6.7
258.09851	2.2
268.08304	5.2
269.08597	0.5
272.11368	4.0
283.09421	1.4
297.85278	0.5
298.16721	0.4
300.10922	53.8
301.11142	1.0
311.08804	1.0
315.11951	1.0
333.13083	2.8
343.11511	1.6
361.12527	5.8
375.14102	4.4
393.15189	35.4
394.15402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.01875	1.3
55.05516	22.1
57.03433	3.0
57.07097	1.1
57.74767	0.8
58.39212	0.8
59.05006	8.4
61.02929	2.2
61.94352	0.9
67.05508	3.5
69.03085	1.1
69.03439	13.8
69.03806	0.6
69.07082	1.5
69.58671	4.1
69.59093	1.7
71.05006	4.0
73.02922	2.1
78.78349	0.9
79.05489	4.0
81.03425	12.5
81.07057	5.6
83.04988	100.0
85.02909	22.7
85.03291	0.7
85.06542	1.8
86.77339	0.7
87.04464	0.7
91.05477	4.5
91.48457	0.7
93.07034	4.8
95.04994	4.1
95.08598	5.4
97.02901	15.4
97.06524	1.5
98.97599	3.8
99.04468	3.2
101.02338	0.9
101.06021	9.9
105.07046	7.8
107.04961	1.5
107.08620	4.1
109.02892	11.1
109.06512	1.7
109.10157	3.0
112.99187	1.3
113.06013	2.3
119.07075	2.0
119.08617	2.4
121.02846	0.9
121.10178	3.9
123.11709	1.5
125.06010	1.1
127.03932	18.2
131.07045	3.2
131.08574	2.3
133.10194	1.0
135.08064	1.2
135.11703	2.6
137.05981	1.7
145.04982	11.6
145.10121	1.0
151.03914	2.1
158.99713	1.3
159.11679	1.5
161.13281	1.3
162.04416	2.6
167.07050	0.9
171.04929	3.3
177.00732	1.0
177.16455	3.8
179.06895	0.9
187.05978	1.2
191.07117	1.3
194.43710	0.8
195.17464	1.9
197.08095	1.5
209.08110	1.2
213.18436	0.8
216.08807	3.8
219.01807	0.9
227.09177	16.2
228.06532	4.4
231.19597	2.0
240.08762	1.8
245.10239	29.2
300.10974	2.0
375.14819	1.5
393.11151	7.7
393.19662	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1884
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
54.46087	0.4
55.05511	0.5
63.51390	0.4
65.03937	0.5
67.05500	1.2
67.94022	0.4
69.03430	0.9
69.38815	1.0
69.39231	1.9
79.05505	0.7
81.07046	2.0
85.02930	0.7
85.06524	0.6
86.09705	1.0
86.38161	0.4
91.05489	1.1
93.07042	2.2
95.04954	0.4
95.08612	1.5
97.06549	0.7
98.97585	1.6
99.44535	0.4
100.20289	0.4
105.07025	1.2
107.04959	1.4
107.08601	1.5
109.10162	1.1
111.08060	0.9
116.98642	0.5
119.08607	1.1
120.08115	1.1
121.10153	1.5
123.11696	0.4
125.09598	0.5
127.03956	0.5
131.08577	0.8
133.10158	0.5
135.11693	0.9
143.10680	0.6
145.10164	0.7
147.04460	0.5
147.11694	0.8
167.07089	0.4
191.14334	0.6
200.13914	0.9
203.05269	4.3
237.02895	0.7
393.18875	100.0
394.19238	3.1
398.74414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01862	0.9
56.96565	11.3
57.03429	3.2
59.05002	1.9
60.16175	0.9
61.02932	4.7
64.05169	0.7
69.03432	6.0
70.30111	1.9
70.98124	1.5
71.04996	1.0
73.02924	2.9
74.97589	1.0
76.32681	0.9
81.03420	2.6
82.29646	0.8
83.05009	1.3
84.96039	2.2
85.02911	14.8
87.04473	2.0
91.05488	1.1
97.02893	6.9
98.97591	28.9
101.00887	1.2
102.96964	1.0
105.03371	1.1
107.04960	2.2
109.02886	2.1
110.97560	4.4
112.99162	2.5
115.00782	0.8
116.98624	9.7
119.01900	3.0
119.04932	1.7
121.02844	0.9
123.04414	1.0
124.99111	0.9
127.03930	5.2
128.02321	1.0
128.98590	5.1
131.00171	2.3
131.01923	0.9
133.03435	1.7
134.99690	1.6
135.65071	0.8
137.05988	5.3
139.05797	0.9
143.00169	3.0
143.01942	3.6
145.01735	2.2
145.04991	3.0
146.99632	4.0
147.04424	3.1
149.01225	1.0
155.04669	1.0
158.99673	7.0
159.03423	0.9
161.01262	2.3
161.02968	3.4
165.00742	1.4
170.99681	2.4
171.03366	3.3
173.01317	1.5
173.02802	0.9
174.99196	1.2
175.04489	0.9
176.99376	0.8
177.00719	5.5
179.02299	2.7
179.07085	1.8
185.06624	1.0
187.02791	1.1
189.00764	2.7
189.04417	3.5
190.04976	1.1
191.02319	1.3
191.03896	1.9
197.01262	1.4
197.03207	1.4
201.00763	1.9
203.03966	1.0
205.00230	2.3
205.03616	0.8
205.05458	14.8
205.07208	1.3
205.55609	1.5
207.05495	1.3
212.03304	1.0
213.03294	1.3
213.04457	1.6
214.05971	2.0
219.01764	10.7
221.05119	1.9
222.04129	3.0
222.06445	1.3
223.01218	2.0
225.56718	0.9
231.05305	4.8
237.02855	10.1
239.02332	1.3
247.01189	1.4
255.03966	1.2
273.06479	1.2
279.03870	1.2
281.07147	1.0
291.00583	1.6
291.07379	0.9
293.05511	3.2
293.10782	1.6
294.06070	3.2
303.06848	1.4
303.57370	1.3
304.08215	0.8
309.08466	2.2
312.07895	1.4
312.58887	0.9
333.08478	8.6
351.09756	2.3
365.64160	1.0
384.11868	6.1
384.61945	2.0
393.13715	100.0
394.13919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	45.3
67.05504	2.4
69.07056	1.7
69.33308	4.3
69.33723	6.0
70.06567	1.8
71.08636	1.9
71.95277	6.7
72.96033	3.1
74.93253	1.3
76.68800	1.2
79.05484	1.6
80.69727	1.2
81.07029	2.1
82.07393	1.4
84.96050	2.0
86.09698	2.4
97.96835	2.3
98.97563	1.9
110.97552	1.9
115.00678	1.5
116.98616	1.4
117.27583	1.3
123.01259	2.6
128.98550	3.6
137.02731	3.2
147.11691	1.6
149.02348	6.0
150.02689	2.2
151.00642	1.8
155.03807	3.2
171.03230	1.9
173.04919	2.2
181.05324	3.2
183.06909	4.0
185.04811	2.8
187.06528	1.4
195.06996	3.9
199.06429	20.8
201.07988	6.7
203.05898	4.0
211.06389	12.0
212.55504	1.5
213.07997	33.8
215.09471	1.5
217.07466	15.2
219.08965	2.0
225.07941	2.7
227.09534	1.9
229.07489	100.0
231.09050	31.0
231.83760	1.3
236.09572	3.8
243.09077	16.9
247.08540	55.4
249.10031	1.5
252.09109	15.7
254.10713	3.1
261.10117	7.8
266.10550	2.1
269.94000	1.6
270.10129	5.1
286.30197	1.6
309.17371	2.1
315.16193	1.6
323.18832	2.1
333.17300	16.4
351.18408	75.6
352.18332	2.4
369.19489	90.8
374.20044	5.2
387.20395	5.4
391.36371	1.6
392.20850	20.9
392.25006	2.9
392.36172	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	392.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96494	1.4
55.75418	1.5
56.96297	2.7
56.96567	35.8
67.05492	3.0
69.07108	1.7
69.76442	7.2
71.08616	3.0
71.95264	5.6
72.96031	2.0
81.07079	3.2
82.39040	1.8
84.96054	2.2
98.20824	1.8
98.97559	1.7
107.08639	2.4
110.97556	3.2
116.15688	1.5
128.98611	4.7
137.02803	1.9
149.02351	4.4
150.02745	2.5
167.03787	1.8
173.04839	2.6
177.00786	1.9
181.05304	1.8
183.07030	2.1
185.04913	4.4
187.06523	2.2
191.24670	1.6
199.06424	10.9
201.08070	1.8
203.05917	3.3
211.06458	6.0
213.08014	20.6
217.07545	7.6
225.07948	3.4
227.09474	2.2
229.07504	37.4
230.64748	1.6
231.09061	19.1
232.55681	2.1
237.07961	3.5
243.09073	16.4
245.10774	2.2
247.08501	18.9
252.09138	6.4
255.09047	11.3
261.10168	5.9
266.10672	2.5
273.07211	1.8
273.10114	6.5
315.16586	1.8
323.18973	2.6
333.17383	31.7
343.54620	2.1
351.18439	100.0
352.18823	2.4
369.19501	93.6
370.19751	2.5
374.20132	10.8
387.20520	2.4
392.20892	23.4
392.30396	2.0
393.22552	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	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65285	1.7
55.05488	4.9
60.74453	1.8
61.44207	1.8
62.06060	2.5
64.12997	2.1
67.05493	5.6
69.03418	3.5
69.07052	7.3
70.78300	5.1
71.04971	4.2
79.05499	17.7
81.07060	27.1
83.04966	9.8
83.08617	3.7
85.02885	6.6
85.06558	3.8
89.37189	1.7
91.05486	11.9
93.06479	2.9
93.07037	35.5
95.04961	7.4
95.08613	19.1
97.06537	11.6
97.52512	1.5
98.97572	2.8
99.04449	9.4
105.07042	20.7
107.04936	7.4
107.08585	22.2
109.06525	20.5
109.10155	3.3
111.08089	9.5
115.05398	2.5
117.07027	2.0
119.04935	2.8
119.08583	12.1
121.06501	46.9
121.10125	6.9
121.53815	2.0
123.08065	2.7
123.11661	3.2
124.07587	6.6
125.06008	6.2
126.80727	1.8
127.07522	6.6
129.06941	2.6
131.08548	5.8
133.06500	2.9
133.10129	14.0
135.04364	3.4
135.08043	12.9
135.11687	6.6
137.05957	4.2
137.09604	2.1
139.07535	8.8
142.07791	2.7
143.07005	5.9
143.08562	6.6
145.10130	7.5
147.04395	6.5
147.08008	3.4
147.11697	36.9
153.09137	4.3
157.08844	2.7
157.10101	12.8
161.13243	7.2
165.12746	8.0
171.10240	3.5
171.11694	14.7
173.09648	3.0
175.11206	17.7
177.54849	1.8
181.10075	3.5
189.12769	17.5
193.12207	17.9
195.13803	4.0
199.11209	19.1
207.13855	18.4
211.13239	5.3
217.12239	59.6
235.13295	100.0
243.42494	2.1
253.14363	96.6
271.15421	4.4
275.62268	2.0
339.14175	2.7
362.31302	2.0
392.17883	3.7
393.18790	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	392.211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36308	1.6
56.96564	41.5
67.05508	2.4
71.53664	1.8
71.95255	4.7
72.96058	2.6
81.07042	3.5
98.97587	1.9
110.97579	3.8
121.67139	1.4
127.00722	1.8
128.98589	2.7
137.02713	3.0
146.99724	1.7
149.02339	5.1
150.02711	2.3
155.03813	2.2
171.03328	2.8
181.05377	3.8
183.06917	4.6
185.04915	3.7
191.10622	3.0
195.06989	4.3
199.06419	17.5
201.08023	6.7
203.05757	4.2
211.06410	11.3
213.08000	28.6
217.07497	14.2
225.07924	5.0
227.09750	1.9
229.07492	97.2
231.09064	33.7
236.09593	4.9
243.09081	14.3
247.08533	58.5
252.09081	15.5
254.10638	2.9
255.09030	1.7
261.10010	7.5
266.10663	3.7
267.09045	3.6
269.10599	9.4
270.10162	5.2
273.10196	2.0
285.10162	4.0
287.11569	2.5
289.09158	1.8
292.12344	1.6
330.17294	1.5
330.32739	1.4
333.17355	13.5
351.18448	53.6
351.22784	3.1
369.19507	100.0
374.20032	4.8
384.98376	1.6
387.20349	4.9
392.20926	24.2
392.25156	2.3
392.36194	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01851	0.9
57.03442	1.1
61.02911	1.4
69.03416	3.0
70.06600	0.7
70.08556	2.8
71.04989	1.4
72.08109	1.1
73.02903	0.6
79.05486	3.4
81.03403	2.1
81.07086	1.1
81.84160	0.6
83.41841	0.6
85.02908	9.9
85.06527	1.8
86.09701	1.6
91.03960	0.7
91.05471	2.6
93.07036	2.6
95.04955	1.1
97.02888	3.5
97.06522	0.7
103.05456	3.0
105.07014	2.3
107.04961	33.2
109.02868	2.1
115.05440	1.6
116.07082	1.6
117.07001	1.5
120.08109	0.8
121.06461	1.2
121.10091	0.9
123.04454	1.6
124.05229	1.3
127.03901	1.3
131.04918	2.3
131.08546	1.7
135.08051	10.2
137.05981	1.6
143.25542	0.7
145.02866	0.7
145.04990	1.2
149.02327	1.3
149.09628	3.1
151.07512	0.7
152.04698	1.1
154.04948	2.0
154.06178	1.1
163.06139	1.0
163.07545	29.9
167.07043	75.8
168.07413	0.8
180.07822	2.7
181.08598	1.5
187.59601	0.7
195.10182	24.1
213.11226	100.0
214.11592	1.2
230.11826	1.1
375.11801	1.5
392.08643	2.1
392.19571	1.6
393.20932	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61769	0.5
55.05508	1.0
56.96569	3.3
57.03415	0.6
57.07075	1.2
61.02935	0.9
66.48977	0.4
67.05491	1.9
69.03394	0.5
69.07056	1.4
69.49629	3.8
71.08627	1.0
71.95284	0.4
75.10645	0.5
79.05480	1.5
81.07053	3.2
82.07370	0.6
83.08607	0.6
84.25610	0.6
84.54774	0.5
85.02900	1.3
91.03952	0.8
91.05479	1.1
93.07040	2.0
95.04969	0.7
95.08569	1.7
96.40142	0.5
97.02931	0.5
97.06525	0.5
98.97551	1.0
101.02390	0.6
105.07033	1.4
107.04978	0.5
107.08614	0.7
109.10168	1.0
117.07043	0.6
119.08585	0.8
121.10199	1.3
127.03918	0.5
133.10152	0.6
147.11714	0.9
149.02351	8.0
149.13280	0.7
150.13567	0.5
159.11736	0.5
163.33156	0.6
164.19276	0.5
166.61368	0.6
167.03400	0.7
177.12729	0.5
186.00485	0.5
195.13837	0.8
213.07993	1.0
243.08882	0.9
250.41867	0.5
255.09030	0.9
267.09079	2.1
268.09433	0.9
269.10654	1.8
269.17487	0.8
270.11032	1.4
285.10144	3.1
286.10400	0.7
287.11386	0.6
349.16776	1.4
350.17194	3.2
367.17868	0.9
368.18246	2.8
373.12125	0.8
373.18567	0.6
391.24551	100.0
392.24850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2479
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
53.03941	0.7
55.05512	3.2
56.96557	2.3
57.07079	4.7
61.02935	0.8
65.59198	0.6
67.01865	0.8
67.05511	3.4
67.56950	0.6
68.99805	0.7
69.07072	4.8
69.86455	3.8
71.08617	2.5
79.05474	2.8
81.07040	4.0
82.25024	0.7
82.28283	0.7
82.54173	0.6
83.08619	2.1
91.05479	1.5
93.07030	2.5
95.04988	1.3
95.08595	3.1
97.06513	0.7
97.10188	0.9
98.83563	0.8
98.97571	0.8
105.07026	2.1
107.08583	2.3
109.10192	1.6
111.00769	1.1
119.08597	1.2
121.10142	1.8
123.04395	1.2
123.11711	0.6
127.03948	0.9
131.08571	0.8
133.10106	1.4
135.11728	1.1
135.37349	0.6
139.03899	5.5
149.02341	10.3
151.03938	0.7
153.01837	25.7
153.05524	0.7
153.12750	0.7
163.03835	2.0
167.03525	1.6
177.05414	1.0
179.03398	7.8
191.03352	1.3
191.07045	1.1
192.04192	10.5
193.05009	3.2
205.04984	22.1
219.06508	1.7
233.08087	1.2
243.09169	0.9
247.09724	1.5
255.08957	1.2
261.11115	2.0
271.92752	0.8
275.12790	2.3
289.14355	3.0
303.15884	3.1
317.17520	5.1
330.20535	0.8
331.15787	2.6
331.19125	2.4
349.16937	2.8
372.18414	0.9
373.23755	69.7
390.65436	0.7
391.24759	100.0
392.25259	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	392.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
56.96556	0.6
57.03439	1.5
61.02922	0.7
67.05499	1.0
69.03436	3.8
69.07082	0.6
69.50939	2.7
71.04993	2.5
73.02912	0.5
75.04506	0.5
79.05491	0.7
81.03422	3.5
81.07049	1.2
83.01348	0.5
85.02901	7.0
85.06566	0.6
86.09696	2.6
87.04502	0.6
91.05479	1.7
93.07051	1.8
95.04990	0.5
95.08601	1.5
95.86360	0.5
97.02898	11.2
98.20743	0.6
98.97591	1.5
99.04457	2.1
103.35593	0.4
105.07050	0.6
107.04976	1.0
107.08584	1.3
109.02885	4.6
109.06557	0.6
109.10143	0.9
116.98633	0.6
119.08581	1.2
120.08132	0.7
121.10136	0.8
123.08096	0.6
127.03918	6.9
128.04965	11.3
129.04491	0.6
133.10152	0.6
135.11682	1.4
137.09634	0.6
145.05048	0.5
146.06013	100.0
147.04436	0.6
147.06349	1.2
149.02385	1.3
150.02757	0.6
158.99660	0.6
174.05513	76.5
175.05865	1.0
175.14771	0.5
195.13864	1.1
199.18059	1.0
211.16855	0.5
212.10742	0.8
212.17175	0.5
213.09018	1.0
230.11775	14.9
270.07590	1.1
300.08670	51.2
301.09000	0.9
311.16876	0.9
313.49149	0.5
318.09729	6.4
379.12329	0.5
392.13229	4.3
392.18677	0.9
393.18884	2.3
411.16858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.3
56.96555	3.7
57.03426	1.6
57.07069	1.6
59.22032	0.8
61.02925	1.9
67.05490	2.7
69.07060	2.4
69.91188	0.8
70.06327	4.7
71.08614	2.2
71.63030	0.8
73.02910	1.4
79.05486	2.3
81.03433	1.6
81.07051	2.6
83.08613	1.1
83.29429	0.9
85.02902	1.9
89.25684	1.0
91.03929	1.5
91.05470	2.5
93.07040	1.9
95.04967	0.9
95.08609	2.0
105.07066	1.7
107.08606	1.4
109.10171	2.0
119.08566	1.1
127.03936	1.2
133.10164	1.2
145.10097	1.7
149.01195	1.2
149.02353	16.0
167.03374	1.8
229.07544	1.2
255.09035	2.1
267.09222	1.0
273.09991	1.1
285.10062	2.0
335.18903	1.2
391.24557	100.0
391.35825	3.4
392.25183	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1944
Annotation	Arg Glu Ser
Peak:m/z	Relative Intensity
56.56829	0.3
67.05502	0.4
68.58770	0.3
69.03437	1.0
69.07040	0.4
69.83509	0.6
69.83916	1.2
71.04974	0.6
71.08618	0.3
79.05476	1.3
81.03419	1.0
81.07045	0.9
85.02902	0.5
91.05478	0.8
93.07036	2.5
95.04948	0.4
95.08572	0.7
97.02887	0.6
98.97568	0.5
105.07086	0.7
107.04975	0.5
107.08593	1.3
109.02841	0.6
109.10163	0.7
119.08565	0.8
121.06472	0.4
121.10143	2.7
125.09660	0.7
127.03902	0.6
127.51793	0.3
128.04382	0.3
131.04881	0.3
133.10092	0.3
137.05957	1.3
139.11163	0.6
149.02373	2.2
149.09625	0.6
151.03894	0.9
155.10704	0.7
161.06058	0.4
167.10707	0.7
211.13326	0.3
211.16953	0.6
216.09749	0.3
229.14139	6.5
311.14978	0.5
391.19403	100.0
392.19769	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	391.2329
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.01870	1.2
55.05509	4.6
56.96567	0.9
57.07070	2.8
67.05515	7.4
69.03409	3.3
69.07070	6.7
69.58360	6.4
71.05000	2.1
77.33546	0.9
79.05490	3.6
81.07064	12.6
83.04957	2.0
83.08614	4.4
85.02910	5.9
85.06533	4.0
91.05474	4.2
93.07050	7.1
95.04990	1.9
95.08612	38.7
97.02909	1.3
97.06544	3.6
97.10158	3.0
98.97588	8.1
99.04471	1.9
101.06007	1.4
105.07040	4.7
107.08602	9.1
109.06519	4.9
109.10159	16.6
111.08095	8.3
115.07574	2.5
116.98618	2.5
119.08578	5.7
121.06550	1.2
121.10162	7.7
123.08077	4.7
123.11732	6.1
125.09641	2.4
131.08592	1.7
133.10144	11.5
134.10431	2.3
135.08026	1.8
135.11716	9.6
137.09619	5.1
137.13266	1.6
138.37154	1.2
139.11189	3.8
147.11722	2.8
149.02338	4.6
149.13223	2.8
151.11176	2.5
158.99643	2.9
159.11740	1.1
163.14851	8.2
165.16415	1.5
173.13235	2.6
175.14850	11.2
177.00642	1.7
181.15892	11.4
189.12727	1.1
189.57144	1.2
191.14323	2.0
193.15889	14.4
205.08034	4.1
205.21477	1.0
205.58202	5.2
211.16943	100.0
212.17230	1.9
214.58640	1.3
219.01826	1.1
229.18028	7.7
289.11243	1.5
290.11575	1.3
319.22806	1.9
335.10992	1.1
373.22220	1.9
390.68356	1.4
410.15536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
57.03427	0.3
67.52425	0.2
69.26105	2.1
79.05488	0.4
91.05477	6.6
93.07042	0.9
103.05464	0.7
105.03432	0.2
105.07035	9.5
107.04939	0.3
107.08619	1.1
107.47569	0.2
108.05742	0.7
109.06525	0.5
115.05446	0.8
116.06224	2.0
117.07056	0.5
118.07802	0.8
119.08562	0.5
121.06496	2.3
122.07258	0.4
123.08060	3.4
129.07024	1.4
131.08571	10.5
133.06502	2.0
133.10133	10.8
135.08067	2.6
135.11676	0.3
136.05174	1.5
137.05991	0.3
137.09613	1.0
138.06761	0.4
139.07527	0.5
146.07253	0.3
147.08069	0.6
148.08829	5.3
151.07527	6.8
151.08672	0.4
154.16556	0.2
161.09634	1.0
163.07500	0.4
163.11185	8.6
165.09061	0.7
165.12741	1.2
175.14778	0.3
178.09885	1.8
181.12192	1.0
183.55687	0.2
191.11818	0.9
193.12244	100.0
194.12614	1.5
211.16998	0.6
408.64133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1578
Annotation	Chidamide
Peak:m/z	Relative Intensity
51.32877	0.5
53.03947	0.4
53.95271	0.4
55.01851	0.4
56.96556	1.7
57.07068	0.8
69.03429	1.1
70.06532	0.4
71.05005	0.9
71.08624	1.0
71.53948	0.6
72.08160	0.5
72.59604	0.4
73.02921	0.6
79.05500	0.6
81.03422	1.2
84.04482	0.5
84.96021	0.7
85.02891	2.2
87.83945	0.5
89.03934	0.9
89.06026	1.1
91.05483	1.1
92.08760	0.4
93.07035	0.6
95.05027	0.4
97.02889	1.3
98.97591	4.1
102.51815	0.4
102.54340	0.5
105.03423	0.8
105.07030	1.9
106.07358	0.5
107.04948	1.4
109.06522	0.5
109.10146	0.5
110.97601	1.4
113.02374	3.1
113.03112	0.4
113.03307	0.4
114.34439	0.4
116.98646	1.3
117.03379	0.6
119.04935	0.6
121.02849	0.5
121.06519	0.6
123.04439	0.7
127.03931	0.8
128.98622	1.3
133.06511	0.8
134.06900	0.4
135.04416	1.4
137.05995	3.1
143.00208	0.4
143.03323	0.6
145.02835	0.7
147.04350	0.5
149.02351	7.9
149.05949	1.2
151.03899	0.6
158.99683	0.7
161.05949	1.5
161.82166	0.4
162.06325	1.9
163.03923	4.6
164.04196	0.6
167.03397	0.7
167.07069	1.4
168.03716	0.5
170.93082	0.4
179.07069	0.9
181.04324	0.4
193.08696	1.0
194.08925	1.7
211.09741	0.6
219.01843	1.4
229.15750	0.5
232.10788	0.8
234.99168	0.4
237.02782	2.3
237.46492	0.4
257.09940	0.5
273.11002	0.5
275.11011	3.4
277.80240	0.4
279.07553	1.2
301.12802	0.4
331.10754	3.4
345.13028	0.4
347.13086	0.6
349.11777	2.0
377.99847	0.4
391.15747	100.0
392.16016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56797	0.9
56.96567	28.3
57.88290	0.9
63.36486	0.9
69.07066	2.7
70.26791	3.2
70.27127	1.1
71.95263	4.1
74.97591	1.1
78.18075	0.9
79.05495	7.6
80.25451	0.8
81.07031	1.1
83.08624	1.0
84.96050	2.0
89.72168	0.9
91.05476	1.7
95.05009	1.3
98.97578	3.3
105.07018	1.3
107.08624	1.8
109.10129	1.1
110.97578	10.2
116.98627	1.1
119.01774	1.0
123.01260	1.3
128.98636	9.2
134.88486	0.8
137.02814	0.9
137.06027	1.0
139.00638	1.2
143.00168	2.2
146.99686	4.4
147.03214	0.9
151.00635	1.0
153.02232	1.8
155.03809	2.0
157.01715	1.5
157.40089	1.1
159.03297	1.2
161.01273	1.2
169.01671	1.0
169.05391	1.5
171.03281	3.3
173.04909	2.4
181.05258	1.2
182.10834	1.0
183.03279	1.9
185.04913	3.9
187.06412	1.6
189.04347	1.6
195.06985	1.6
197.04900	1.6
199.06415	10.0
201.07959	1.4
203.05960	2.0
205.01723	3.4
205.07430	4.8
210.02032	1.2
211.02733	1.1
211.06406	1.3
213.08018	9.0
217.07547	7.5
222.08060	1.2
223.02803	5.4
223.08481	2.1
225.04309	1.5
225.08067	2.7
227.05972	1.0
229.07526	9.1
231.09077	6.9
236.09761	1.1
237.04453	2.0
237.07933	1.7
240.09332	1.2
241.03819	1.4
243.09036	16.4
247.08595	5.7
255.08986	5.9
261.10104	7.4
262.08722	3.4
266.10449	1.4
269.12402	2.5
273.10101	2.5
279.09076	4.3
280.09821	9.6
297.10178	2.2
297.13666	1.6
298.11017	3.2
303.16229	1.8
313.14902	1.4
321.17563	2.2
331.12708	1.1
331.15765	43.8
349.16876	100.0
350.17285	2.1
367.14410	3.4
367.18027	34.6
372.18515	10.1
385.15106	1.6
390.19672	6.3
392.44159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
61.02930	1.7
61.64515	1.2
64.80622	1.1
67.05492	1.2
69.03416	2.0
70.98110	1.9
70.98438	2.3
79.05477	5.1
81.03423	2.1
85.02917	8.0
91.05481	3.8
95.08597	2.1
97.02900	1.9
103.05473	5.6
105.03394	1.6
105.07037	47.0
107.04964	3.6
115.05472	9.0
118.04173	3.9
119.15590	1.4
124.07616	2.1
127.03910	3.4
131.04973	2.2
133.06499	50.1
137.05994	1.9
138.05548	6.2
138.09192	7.0
143.06071	5.3
145.04922	2.0
152.06976	1.8
156.20459	1.4
161.05991	100.0
166.08655	17.3
180.08740	2.9
193.08614	66.4
194.08952	1.2
221.68649	1.6
244.99457	1.4
390.14673	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	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63625	0.8
55.05487	1.1
56.96569	38.2
61.02928	1.2
62.69297	0.8
64.71515	0.9
67.05495	1.9
69.94883	3.1
71.95261	5.6
72.96043	2.6
74.97615	1.1
79.05475	2.3
81.07046	2.3
82.05627	0.8
83.08590	1.0
84.96040	1.2
85.02918	1.2
85.57624	0.8
91.03879	1.0
91.05467	1.3
93.07050	1.5
95.04948	1.0
95.08611	1.1
97.02889	1.1
98.20763	1.1
98.97581	1.9
105.00156	0.9
107.08597	1.0
110.37093	0.9
110.97548	5.3
119.08515	0.9
121.10148	1.0
123.01188	0.9
128.98631	3.3
134.38829	0.9
137.02740	1.2
137.05966	2.0
141.48317	0.8
146.99622	1.8
147.98860	0.7
152.32082	0.8
155.03835	1.8
159.03296	1.0
165.05899	0.9
169.05382	1.6
171.03340	2.0
173.04784	1.7
180.76663	0.9
181.05339	1.9
183.06953	1.7
185.04868	3.8
187.06384	1.2
189.04402	2.1
191.29668	1.1
195.06999	3.3
197.04977	1.2
199.06395	10.4
201.07993	3.9
203.05879	2.6
211.06386	6.4
213.07983	27.1
215.06017	1.2
215.09583	1.2
217.07471	9.8
219.09044	2.2
222.08049	1.0
223.08559	1.2
225.08014	4.2
227.09554	1.7
229.07492	39.0
231.09047	25.7
232.02914	0.9
236.09605	2.8
239.05780	1.4
241.07556	1.3
243.09068	17.8
245.10606	1.2
247.08560	19.9
252.09033	4.6
254.10783	1.5
261.10144	10.6
266.10764	2.3
269.12619	4.1
270.10114	1.0
281.14166	1.2
297.13818	5.5
313.14911	1.2
315.14841	1.2
323.19009	1.0
331.15817	14.1
333.19116	2.1
349.16879	100.0
350.17264	1.8
367.17932	35.2
368.17874	1.2
372.18439	3.6
390.19470	13.9
390.27213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.3
53.03941	0.8
53.05949	0.3
57.03429	0.5
58.99578	1.0
61.02924	1.1
69.03435	1.7
71.38602	0.6
73.02950	0.3
76.02231	2.3
77.03915	0.4
79.05490	3.7
81.03416	1.3
85.02907	7.4
85.61004	0.3
86.99049	1.1
91.04015	0.3
95.04986	0.8
97.02881	2.3
98.97581	0.4
99.04435	0.4
100.02205	1.2
105.00105	1.6
105.04549	0.4
105.07039	0.6
107.04957	100.0
108.05284	0.5
108.93584	0.3
109.02913	0.6
122.02733	24.8
127.03912	1.3
133.06555	0.4
145.04993	1.3
146.02693	1.1
161.06004	0.4
164.03795	0.7
193.08530	0.5
200.03758	0.5
209.85912	0.3
211.04248	9.4
228.06897	27.0
248.06006	0.7
248.08310	0.3
266.07007	0.5
270.07846	0.4
284.07916	1.7
309.50354	0.3
390.11911	1.6
390.18283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01868	1.0
55.05508	0.5
56.96568	4.2
57.03443	1.9
57.11937	0.4
61.02919	1.5
68.38763	0.4
69.03426	4.2
70.98117	0.8
71.01292	0.4
71.04983	0.8
73.02930	1.6
76.02218	0.8
79.05492	0.9
81.03422	1.5
84.08141	0.8
84.96020	1.0
85.02917	7.9
85.66735	0.4
86.09733	0.6
87.04461	0.5
91.05499	0.6
92.30806	0.4
95.04984	0.9
97.02896	4.6
97.96832	0.7
98.97592	9.4
99.04485	0.7
99.97951	0.7
100.02201	0.6
105.00092	0.7
107.04961	19.7
108.05289	0.5
109.02870	0.9
109.06521	0.4
110.97564	3.0
112.99190	0.6
115.03948	0.6
116.14738	0.4
116.98631	3.0
119.01852	0.6
119.04942	0.9
122.02744	4.2
127.03939	2.1
128.98618	4.1
131.00223	0.6
134.78235	0.5
137.05966	2.1
139.04028	0.4
143.00195	1.2
143.01949	0.5
145.04993	1.6
146.99667	1.7
147.04407	1.7
155.04701	1.3
158.99628	3.1
161.01268	0.8
163.03949	0.8
170.99681	1.1
173.02962	0.6
175.02832	0.7
177.00743	1.6
183.05104	0.5
184.05849	1.9
186.04567	0.6
189.00778	0.6
199.02863	0.5
201.00713	0.9
205.00255	0.6
209.03531	0.5
210.04602	0.6
211.04308	1.5
218.01761	0.4
219.01724	3.4
219.05231	1.9
219.07372	0.8
219.55461	0.7
219.57567	0.8
220.05980	2.9
223.04907	0.5
228.07057	3.5
229.06726	0.9
235.02922	0.5
237.02866	3.2
238.03159	0.6
239.56625	0.6
246.03812	0.5
256.96326	0.5
258.05170	0.5
261.05951	0.7
309.08582	1.0
321.08478	0.9
348.06989	1.3
349.07996	1.8
360.12723	1.5
390.13721	100.0
391.13681	1.6
407.20435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
53.03947	1.4
55.05507	1.5
57.03434	1.3
59.05013	1.5
61.02911	1.9
62.77990	1.1
67.05498	3.6
69.03420	5.1
69.07059	1.5
70.06574	1.2
71.04996	24.9
71.45477	1.9
71.45815	1.2
73.97781	1.4
78.67459	1.2
79.05492	2.3
81.03413	4.5
81.07050	4.6
83.08624	1.4
83.32748	1.1
85.02905	17.4
85.06557	7.8
91.05487	2.7
93.07051	5.4
95.04955	2.1
95.08592	3.8
97.02905	5.8
97.06528	2.4
98.97571	1.7
99.04457	100.0
103.05470	9.4
105.07021	5.0
107.08591	18.8
109.02887	1.4
109.06537	3.3
109.10162	5.0
113.09647	5.3
119.08553	2.2
121.10176	6.2
123.08073	11.8
123.11691	10.9
125.09638	4.9
127.03923	3.9
131.04924	16.0
131.08575	1.8
133.10135	12.0
135.08099	1.9
137.05995	1.4
139.11212	3.3
141.09146	1.2
145.04985	1.5
145.10213	1.6
147.11700	4.5
149.09598	1.5
149.13315	5.8
151.11237	2.7
157.33217	1.3
163.07501	6.5
165.12775	2.9
167.07095	2.7
167.10692	3.7
169.12241	6.5
173.13300	7.3
180.64601	1.2
183.13808	32.2
191.14297	5.4
209.15385	11.6
227.16431	85.6
228.16629	1.3
285.80347	1.2
298.78027	1.2
389.17798	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	389.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14368	0.5
51.02422	0.5
53.40331	0.4
55.05495	1.5
57.07078	7.6
65.03932	0.9
66.11776	0.6
67.05507	0.7
69.07070	10.4
69.54398	1.8
69.54804	1.6
71.08635	8.6
81.07085	0.7
95.08630	1.2
111.11720	1.8
113.13300	0.7
114.03645	0.5
121.02870	3.7
121.03957	0.9
149.02347	100.0
163.03839	1.1
167.03397	13.1
190.04959	1.7
259.13504	0.7
278.08765	0.5
332.90347	0.6
389.17624	1.5
389.31238	4.4
401.93707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01862	1.0
56.96566	3.0
57.03439	1.8
58.99580	1.1
59.04992	0.3
61.02929	3.1
62.06096	0.6
67.05503	0.5
69.03432	5.6
70.06601	0.4
70.16901	0.8
70.17287	0.4
70.98122	0.4
71.04988	1.0
73.02917	1.6
74.06068	0.3
76.02226	2.9
77.03916	0.3
79.05498	3.7
81.03426	2.1
82.06583	0.5
83.01356	0.6
83.04954	0.6
84.04500	0.4
84.96023	0.6
85.02908	13.8
86.09702	0.7
86.99033	0.7
87.04471	1.0
88.99147	0.4
91.03963	1.0
91.05459	0.4
95.04967	1.3
97.02886	5.7
97.03454	0.6
98.97583	5.1
99.04470	1.6
100.02205	1.5
101.00880	1.0
101.02364	0.4
104.10741	0.3
105.00034	1.4
105.04511	0.6
106.02921	0.4
107.04957	100.0
108.05251	0.8
109.02854	1.4
110.01305	0.5
110.97580	1.1
112.99150	0.6
113.06014	0.4
116.98643	2.1
116.99329	0.4
118.03472	0.3
119.01910	1.5
120.02038	0.5
122.02731	25.7
123.04460	0.4
124.03951	1.1
127.03925	4.6
128.02336	0.4
128.71329	0.3
128.98611	1.2
129.10252	0.5
130.08606	0.4
131.00221	0.4
131.01825	0.5
133.03502	0.5
134.99654	0.3
136.07510	0.3
137.02956	0.4
137.06026	0.6
140.02269	0.3
142.03499	0.4
142.52168	0.3
143.00194	0.7
143.01936	1.2
145.03487	0.6
145.04977	3.4
146.02731	1.0
146.99593	0.7
147.03163	0.4
147.04234	0.3
148.06046	0.3
151.03963	0.8
155.01788	0.4
155.02892	0.4
157.03542	0.7
158.06676	0.6
158.99716	1.5
159.03252	0.3
159.04964	0.5
161.01305	0.4
161.03009	1.2
162.03183	0.4
163.03928	0.3
164.03798	1.0
164.07822	0.3
168.03722	0.3
168.13350	0.3
169.03348	0.4
170.96080	0.4
170.99669	0.8
173.02997	0.6
174.99146	0.5
175.03047	0.4
175.04393	1.6
177.00734	1.1
177.04306	0.4
183.02386	0.4
184.04765	0.5
185.02896	0.3
186.04532	0.5
186.55244	0.3
186.99257	0.4
187.04530	0.3
188.07738	0.5
188.97101	0.8
189.00748	0.9
189.02454	0.4
190.98584	0.4
191.02277	0.4
191.03922	0.7
193.00218	0.6
194.99727	0.3
200.03847	0.4
200.07733	1.4
201.00702	0.7
201.06068	0.4
202.98703	0.4
203.04079	0.7
204.02811	0.4
205.00246	0.8
205.03952	0.4
207.01820	0.6
211.04256	8.3
213.03416	1.2
214.05533	0.6
218.56325	0.4
219.01680	1.4
219.05182	0.6
219.06975	2.4
220.06827	0.3
221.05077	0.8
222.03720	0.4
223.01344	0.6
226.05557	0.4
228.06912	26.4
232.06676	0.4
237.02831	1.2
238.05672	0.4
239.04834	0.5
244.06808	0.8
245.05151	0.6
247.03021	0.5
247.05144	0.4
248.05775	0.7
248.99292	0.4
263.00784	0.6
266.07181	0.3
269.06061	0.9
269.56360	0.3
270.04889	0.8
278.06174	0.4
278.08621	0.4
281.01947	0.4
282.05002	0.4
284.08130	1.7
294.06107	0.9
300.05737	0.4
302.00876	0.4
324.43283	0.3
349.08408	0.4
390.07770	0.4
390.12183	2.7
391.10065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
51.17773	1.6
52.01122	1.5
55.01870	3.5
55.05500	2.9
67.05488	3.4
68.22139	1.6
68.73575	1.5
68.75673	1.5
69.03433	10.6
69.07059	4.5
69.52319	9.8
71.04987	1.9
79.05484	2.4
81.03409	2.0
81.07047	7.1
83.04977	3.9
83.08607	4.0
85.02905	7.0
91.05476	2.5
93.07019	8.1
95.04963	5.6
95.08611	7.7
97.02885	1.7
97.06533	3.5
97.10143	4.4
98.20747	2.4
99.08076	4.4
105.03412	3.8
105.07036	3.3
107.08594	16.8
109.02890	2.1
109.06516	8.5
109.10155	6.4
111.08051	4.5
113.05978	1.8
119.08574	2.8
121.10138	15.1
122.31674	1.8
123.08120	2.6
123.11678	7.2
125.09641	40.6
131.04898	4.9
131.08549	2.9
133.10150	8.1
135.08054	5.9
135.11676	2.1
137.09627	2.8
147.11681	5.3
149.09628	50.3
149.13251	5.1
151.11229	13.5
153.09082	12.9
154.80258	1.6
163.07536	3.8
163.14838	6.7
167.07014	1.9
167.10680	5.0
173.13272	6.8
177.05421	4.3
179.07022	2.4
181.05009	4.8
190.81764	1.6
191.14339	29.6
197.08141	2.4
209.08063	3.7
209.15379	100.0
227.16385	18.8
373.51212	2.1
389.17947	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	389.2173
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01864	3.9
55.05506	9.2
64.94062	3.2
67.05508	8.3
69.03442	17.4
69.07060	10.4
69.66900	19.6
77.69944	3.4
79.05492	13.8
81.07074	23.5
83.04964	7.6
83.08634	3.6
85.02908	14.8
87.04453	8.8
91.05485	8.1
93.07050	28.9
95.05005	19.5
95.08598	14.5
97.02871	7.4
97.06516	9.2
98.97600	28.4
99.08092	4.8
103.05477	51.9
104.29104	3.2
105.03397	20.5
105.07022	15.3
107.08592	22.8
109.02863	3.8
109.06519	16.0
109.10146	15.7
110.97623	4.6
111.08073	3.9
116.98633	6.1
117.07037	3.5
119.08548	7.7
121.06512	4.8
121.10158	41.0
123.04443	5.4
123.08054	6.1
123.11723	41.2
124.26148	3.8
125.09650	35.3
131.04044	5.8
131.04953	81.4
131.08559	10.6
133.10141	22.1
135.08075	8.6
135.11691	7.8
137.05975	4.9
137.09616	6.4
139.07567	6.1
139.11246	4.4
147.11705	16.9
148.36469	3.5
149.09637	62.0
149.13309	8.3
151.11205	34.4
153.09108	19.5
155.46790	3.7
158.99651	10.1
163.07573	47.1
163.14801	7.3
165.12790	9.7
167.07027	4.0
167.10684	48.6
173.13287	11.6
177.05522	11.0
178.05827	6.9
179.06973	6.4
179.14293	4.0
181.04968	10.0
191.14333	32.2
193.08618	3.8
197.08153	9.9
209.08022	4.1
209.15381	100.0
213.10202	3.5
223.09163	5.4
227.08932	59.0
227.16432	52.9
247.06209	3.9
259.40961	3.4
285.11011	6.4
299.15118	4.4
308.15649	6.2
327.17905	5.1
389.13229	34.3
389.18674	45.7
407.15979	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
50.25305	2.8
55.05503	4.4
57.03414	3.1
67.05526	6.6
69.03428	6.1
69.07072	5.1
69.76765	15.9
71.04978	5.3
79.05489	6.1
81.07063	16.1
83.04983	6.7
83.08614	4.1
85.02903	8.1
85.06522	5.2
91.05450	7.9
93.07063	18.9
95.08617	19.3
97.06453	2.7
99.04434	5.6
99.08110	18.2
105.07019	10.0
107.05002	6.3
107.08595	41.5
109.06501	10.2
109.10155	14.7
119.04924	4.0
119.08562	8.0
120.05271	4.4
121.06564	13.5
121.10149	28.9
123.08111	16.7
123.11661	7.5
125.09624	9.5
131.08577	12.7
133.10146	16.2
133.38855	2.8
135.08044	14.8
135.11687	6.8
137.09618	8.2
139.11226	3.3
145.10107	5.6
147.04416	16.1
147.11653	4.4
148.04742	14.2
149.09625	53.8
149.13278	14.1
151.11157	19.9
153.09166	5.3
163.11194	4.8
163.14832	20.9
164.11545	5.0
173.13304	19.2
174.74335	3.2
191.14308	55.5
209.15381	100.0
210.15825	3.2
227.16405	6.0
300.67728	2.8
306.92593	3.0
316.20206	3.1
340.57388	2.5
389.17834	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	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05509	6.1
57.03442	2.4
67.05502	3.6
69.03436	12.4
69.07069	5.3
69.58261	11.8
79.05492	5.4
80.34428	1.9
81.07060	6.9
83.04977	4.1
83.08636	4.6
85.02921	12.7
91.05483	5.6
93.07039	6.4
95.04970	5.0
95.08612	8.9
97.02911	2.4
97.06534	5.8
97.10149	4.1
98.38263	1.8
99.08086	5.1
103.05448	5.2
105.03380	4.7
105.07034	7.4
107.08603	18.1
109.06509	9.6
109.10175	9.9
111.08072	7.0
113.09636	2.1
119.08587	3.0
121.10159	19.4
123.08086	3.2
123.11704	8.3
125.09634	41.6
131.04950	7.2
131.08603	2.7
133.10156	12.1
135.08038	6.5
135.11671	3.4
137.05969	3.3
139.07605	2.1
139.11153	3.3
145.04938	2.0
145.10129	2.5
147.11639	6.8
149.05948	2.5
149.09622	58.8
149.13248	8.3
151.11189	17.1
151.14719	1.7
153.09122	15.3
154.09816	1.8
163.07535	3.3
163.14835	6.8
167.10710	7.7
173.13263	10.0
177.05443	3.4
179.07152	2.1
181.05000	5.2
185.50496	1.9
188.55843	1.9
191.14314	30.6
197.08095	2.0
209.08018	3.2
209.15384	100.0
227.08803	1.9
227.16463	22.1
384.43903	2.1
389.18204	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	389.217
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
53.03937	1.7
53.60260	1.0
55.05501	2.6
55.54284	1.1
57.03437	2.3
61.02908	2.9
67.05495	2.2
69.03448	7.0
69.07060	2.5
71.04605	1.8
71.04996	31.6
71.45490	1.4
71.45833	1.5
72.79641	1.2
79.05505	1.5
81.03415	3.6
81.07062	4.4
83.04974	1.6
83.08620	2.9
85.02917	15.4
85.06556	10.4
91.05492	4.1
93.07044	4.8
95.04974	2.5
95.08607	7.2
97.02880	4.6
97.06525	3.6
99.04457	100.0
103.05472	3.3
105.07020	4.5
107.08584	16.6
109.06520	3.9
109.10162	5.5
113.09650	5.2
119.08576	2.4
121.10172	7.3
123.08067	13.1
123.11716	10.8
125.09637	6.7
127.03933	3.3
131.04910	4.1
131.08621	1.8
133.10126	12.6
135.08002	1.2
137.05981	1.6
139.11179	2.5
145.05003	1.6
147.11700	2.5
149.13242	4.9
151.11195	4.3
153.09137	2.4
161.05946	1.3
163.07518	2.6
165.12808	3.2
167.07104	2.1
167.10690	4.7
169.12219	9.4
173.13258	5.6
183.13809	37.7
183.15355	2.5
191.14346	6.8
205.08493	1.5
209.15379	12.6
227.16431	92.3
389.17566	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1598
Annotation	Simulanol
Peak:m/z	Relative Intensity
53.03946	2.0
55.01875	34.6
55.05514	2.6
57.03427	1.7
61.02922	1.6
65.03948	7.8
67.05505	5.3
67.80495	1.5
69.03441	4.7
69.07066	3.8
71.04987	7.7
79.05490	7.1
81.03432	3.7
81.07069	9.4
82.04221	2.9
85.02913	16.7
85.06558	3.0
91.05498	4.0
93.03412	1.8
93.07049	7.3
94.04207	2.2
95.04977	4.8
95.08615	5.5
97.02905	6.3
97.06533	5.1
99.08131	2.6
103.05460	13.7
105.07021	2.5
107.04948	13.2
107.08594	4.9
109.02887	2.0
109.10178	4.1
110.03676	3.3
111.04433	2.8
111.09698	1.7
115.05480	2.9
117.07050	3.7
119.04927	1.7
119.08571	2.2
121.06512	5.2
121.10160	4.8
122.03696	2.5
123.04449	6.0
123.11742	1.9
125.05984	3.8
127.03972	2.9
128.06232	1.5
128.93056	1.5
129.07031	9.0
131.04942	19.2
131.08546	3.4
133.10144	3.2
135.11658	2.4
137.05983	40.8
138.03139	2.2
138.06357	3.2
139.03903	4.5
141.07051	2.3
142.02615	4.6
145.04974	2.3
145.06503	5.7
147.04382	3.7
149.05988	11.7
149.13225	1.7
153.05460	5.7
153.09135	2.0
155.07050	2.5
157.06496	11.5
159.04445	2.0
160.05223	4.9
161.06027	4.1
163.07571	8.6
167.07047	27.1
171.06560	4.4
173.06021	2.0
174.06783	6.9
175.07542	14.6
177.05487	36.2
177.09129	1.5
179.75104	1.5
181.04967	100.0
183.06567	5.0
185.05940	1.9
187.07559	2.7
189.09102	17.5
191.07065	4.9
191.14352	1.7
191.18031	3.3
192.14677	2.3
199.11189	2.9
201.09137	3.5
205.08594	2.5
209.08098	56.9
210.96837	1.8
217.06676	2.4
217.08649	6.9
218.07301	3.4
219.10132	21.7
221.08073	2.6
227.16544	3.0
227.20030	11.6
234.06721	3.6
235.09799	3.2
246.06909	2.1
247.07663	1.8
248.08260	1.4
249.09174	5.7
257.34598	1.6
261.09073	2.8
263.07129	2.3
265.08487	3.3
277.08627	12.5
279.10123	2.6
290.09863	1.8
291.10492	1.7
293.11612	2.4
309.11325	3.8
311.12943	1.9
321.11234	5.3
329.14102	2.3
339.12296	17.9
341.13882	4.3
353.14182	2.1
359.14722	3.0
371.14969	21.6
389.15970	64.6
412.85223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1806
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03942	4.1
55.01870	4.0
55.05515	3.8
57.07080	4.7
61.02922	1.9
61.65824	2.0
65.03912	2.6
67.05504	24.3
69.03444	3.1
69.07066	4.3
70.80473	6.1
71.04989	18.5
79.05499	31.4
81.07047	7.9
83.04969	10.5
85.02893	8.8
85.06543	100.0
86.09693	3.2
87.60638	2.1
89.06021	2.3
90.06374	2.8
91.05481	19.3
93.07041	23.3
95.04955	6.6
97.06538	5.9
98.20855	2.3
99.04453	5.7
99.08092	4.3
99.53519	2.4
101.05376	1.9
103.05471	6.6
105.03378	9.0
105.07034	23.2
105.83968	2.4
107.04964	12.3
107.08607	27.3
109.06510	7.3
111.04456	13.7
117.07043	5.4
119.08577	15.3
121.06529	14.9
121.10159	20.9
123.04435	3.9
125.05994	6.6
127.03915	2.8
129.06990	6.4
131.04912	11.5
131.07591	4.8
131.08565	73.2
133.10152	4.1
135.08015	2.4
135.11665	5.7
137.05972	6.3
137.09627	7.4
139.07535	4.0
145.10124	27.5
147.08066	4.7
147.11745	2.4
149.09621	57.8
153.05437	5.4
153.09048	3.2
163.07558	10.2
163.11177	23.9
165.09097	8.9
167.07027	3.9
167.10681	33.3
167.38025	2.1
173.09648	7.2
176.91956	1.8
191.10674	70.3
191.12355	4.4
209.11722	83.4
227.12778	86.8
389.13403	4.6
389.17480	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	389.1595
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03927	2.2
55.01873	36.7
59.40970	0.8
61.09068	0.7
61.43311	0.7
65.03667	0.6
65.03940	7.8
67.05501	4.0
69.03417	2.1
69.07053	1.1
70.42014	0.8
70.42354	1.8
71.04963	1.1
77.03898	1.0
79.05501	3.5
79.80972	0.7
81.07040	1.0
82.04189	2.6
85.02526	0.7
85.02908	6.6
91.05468	3.1
93.03374	2.3
93.07040	1.8
94.04174	1.2
95.04976	4.1
97.02897	0.9
97.06526	3.8
103.05470	14.7
105.04543	0.9
105.07009	1.3
107.04963	7.7
108.02101	1.8
109.06498	1.2
110.03636	4.8
111.04410	1.0
115.05431	1.7
117.03357	1.2
117.07001	3.1
121.06485	4.0
121.10177	0.8
122.03673	4.2
123.00723	0.9
123.04459	5.6
124.05250	1.8
125.05969	2.5
128.06216	2.4
129.07001	7.9
131.04936	22.0
131.08580	1.2
133.06564	0.9
135.04364	0.8
135.08005	1.3
137.05977	32.6
138.03131	2.5
140.04668	0.8
142.02586	3.3
145.06456	5.1
147.04434	1.2
149.05981	12.9
151.03912	1.6
153.05450	5.6
155.07001	2.7
157.06502	9.3
159.04361	1.4
160.05229	3.8
161.05974	2.0
161.07307	0.7
162.06841	1.0
163.03891	1.4
163.07542	7.9
165.05469	0.9
167.07048	24.7
171.06566	4.5
174.06735	2.9
175.07552	14.7
177.05470	35.4
177.09126	1.5
179.07098	1.5
181.04959	100.0
181.08479	2.4
182.05295	1.2
183.06493	3.2
185.05965	2.1
187.07529	2.3
188.08264	2.1
189.07346	1.4
189.09085	9.6
191.07019	3.9
191.08539	1.0
191.14117	0.9
192.14651	1.4
199.07471	1.4
201.09174	1.0
205.08589	2.9
209.08089	58.5
217.06622	1.6
217.08522	6.4
218.07272	1.3
219.08064	1.9
219.10153	3.7
221.07956	1.7
231.08136	1.1
233.09502	1.3
234.06757	1.8
234.18285	0.9
235.07658	1.3
235.09691	3.3
246.06865	1.0
247.07689	1.5
249.09163	4.5
251.10648	0.9
260.08124	0.8
261.09171	4.5
263.07040	1.6
264.07904	0.8
265.08649	1.2
277.08563	7.9
278.09476	1.8
279.10013	1.9
281.11786	1.0
289.24850	0.9
291.10172	1.4
293.11661	2.3
305.52527	0.8
306.08911	1.3
307.09598	0.8
309.11383	3.7
311.12714	2.3
321.11154	4.1
321.14880	1.0
329.13892	1.5
339.12289	9.4
340.12946	1.0
341.13928	3.6
346.03030	0.8
353.13751	2.0
359.14838	2.2
371.14893	13.8
389.15958	63.7
390.16144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1595
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
52.85728	1.3
53.03940	1.9
55.01632	2.7
55.01872	32.1
57.03438	3.6
61.50309	1.7
64.65140	1.4
65.03945	8.0
67.05499	5.0
68.99805	1.3
69.03411	3.0
69.07065	2.9
69.45366	11.2
70.02126	1.3
70.88266	1.3
71.04966	2.1
79.05475	5.1
81.03416	1.7
81.07037	4.0
81.23487	1.3
82.04194	4.5
85.02904	7.3
91.05480	6.5
93.03405	2.6
93.07052	4.8
95.04964	4.4
97.06539	4.4
99.04448	3.9
103.05464	16.2
105.07015	2.9
107.04967	8.8
107.08613	3.6
109.06563	1.6
109.10152	3.0
110.03655	4.8
111.04453	1.7
115.05479	2.8
117.05489	3.6
117.06979	3.0
121.06514	4.4
121.10148	2.6
122.03661	3.7
123.04488	7.5
123.11731	2.3
125.05998	4.4
128.06206	2.4
129.07024	9.5
129.67010	1.5
131.04919	23.4
133.06413	1.9
133.10112	2.1
137.05969	36.4
137.06943	2.8
138.03143	1.6
139.03915	3.8
139.20651	1.5
142.02628	3.1
145.06500	5.0
147.04416	3.0
149.05974	13.4
151.03923	2.2
151.07652	1.6
153.05484	3.5
157.06491	6.8
159.04407	2.7
160.05167	2.2
161.06050	2.5
163.03883	2.5
163.07538	8.0
167.07031	31.5
171.06642	3.9
174.06789	2.6
175.07547	16.8
177.05476	39.8
177.09093	1.7
181.04950	100.0
183.06538	2.4
187.07532	2.6
189.09053	14.2
191.07021	3.9
193.08716	2.6
205.08679	2.8
209.08093	71.3
209.17285	2.9
217.08559	7.8
219.10210	4.0
219.46255	1.6
221.08110	2.5
226.18170	1.8
227.16400	6.0
227.18384	4.0
231.08020	1.5
235.09677	3.0
249.09169	4.8
261.09106	4.6
277.08606	8.5
278.09412	2.8
293.11731	2.5
299.63193	1.4
309.11237	3.2
310.30783	1.9
311.12891	1.7
321.11319	4.2
329.13968	2.2
339.12125	11.2
341.13885	4.6
353.13776	3.3
359.14993	2.6
371.14896	14.7
389.15930	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	389.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91164	1.5
54.09827	1.5
55.01875	3.6
63.67140	1.6
65.03938	2.1
69.03436	4.2
69.20074	15.8
73.02924	17.5
75.07863	1.5
79.05496	2.8
81.03437	3.8
85.02909	9.9
86.09727	2.6
91.05496	6.5
93.07088	2.1
95.04990	4.6
97.02876	2.3
97.06554	2.9
98.21543	2.9
98.97614	2.6
99.04477	1.5
103.05507	3.1
105.07011	3.5
107.04983	2.2
107.08636	3.6
109.02879	2.5
109.06546	4.6
109.10225	1.8
119.08634	1.7
119.65887	1.5
121.02888	2.6
121.10155	1.9
123.04453	6.4
127.03980	6.1
131.04955	3.2
131.08540	2.0
131.37125	1.6
133.06503	2.7
133.10179	4.2
136.03033	1.5
140.04686	22.9
140.05592	1.9
142.02739	1.7
147.11790	1.7
153.05542	1.8
155.07031	42.5
155.08211	2.5
161.06029	4.0
173.08102	2.0
173.13329	2.1
179.07217	1.6
181.04968	45.5
181.06494	2.9
181.08594	2.6
191.14381	2.0
193.08624	2.7
209.04622	2.7
209.08086	10.9
209.15482	5.6
227.09151	70.7
227.12631	2.9
263.80573	1.6
328.04456	1.6
332.82278	1.6
335.08105	1.8
389.14032	10.1
389.18045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
53.40210	0.7
55.01864	3.9
56.96561	1.1
57.03437	0.7
61.02914	0.9
69.03429	3.1
71.04994	0.8
71.38439	1.2
72.08144	2.5
73.02903	1.2
79.05505	0.9
81.03406	1.1
81.07073	0.7
83.04983	1.1
84.04487	0.9
85.02903	6.3
86.09695	2.0
87.04449	0.6
91.03995	0.6
91.05485	2.2
93.07044	0.9
95.04973	1.4
97.02906	3.5
97.06548	0.9
98.97577	2.9
99.04427	1.3
101.02362	2.1
105.07042	1.2
107.04945	2.1
107.08602	0.8
109.02863	2.2
109.10170	0.7
121.02834	0.7
121.10134	0.9
123.04423	1.0
123.08101	0.6
125.02362	1.2
127.03918	33.4
130.06540	0.7
131.08527	0.6
137.05919	0.8
139.03876	1.2
143.03432	3.2
145.04985	1.5
147.04465	0.8
151.03900	1.9
153.01842	7.5
153.05424	3.9
153.09111	0.9
155.06981	0.8
161.05983	1.4
162.07536	0.8
163.03908	3.9
165.06561	1.3
165.92764	0.6
167.03389	7.7
177.05539	0.8
181.04956	31.2
191.03529	1.1
193.04959	2.7
193.08630	1.5
198.09177	0.8
205.04987	1.5
209.04456	41.6
209.15388	1.9
219.01712	1.1
223.05920	0.7
227.05513	17.5
227.09123	2.3
227.16386	2.3
237.02834	1.1
245.06544	3.3
251.05519	1.6
259.05939	1.2
273.09454	1.1
305.06470	0.7
371.16928	7.3
389.13873	30.4
389.17822	100.0
413.46152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.5
56.96560	51.4
66.25748	10.4
67.05492	17.0
69.03438	12.5
69.31017	100.0
79.05517	20.0
81.03414	13.1
81.07064	19.0
83.08648	11.1
85.02911	16.1
91.05478	19.2
93.07030	25.2
93.60765	10.8
93.80455	12.1
95.08585	21.0
98.21474	20.3
98.97572	18.6
103.04877	11.8
105.07011	18.3
107.04987	60.6
107.08604	12.1
109.10135	13.0
121.10162	13.4
167.07022	24.6
173.12991	12.4
178.52927	12.6
181.08595	23.0
251.56445	11.7
329.14127	30.1
347.15390	54.1
365.16483	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	39.6
60.30244	20.3
61.56598	21.2
67.05496	34.7
69.03423	24.9
69.07059	25.7
69.82837	100.0
71.05018	23.3
79.05500	45.1
81.07045	44.2
85.02930	34.0
91.05471	43.1
93.07031	28.5
99.34746	19.9
105.07023	34.2
109.10109	26.6
119.08567	35.0
133.10149	27.0
137.05997	47.7
138.06265	33.9
157.39043	22.3
198.42999	19.3
336.10593	21.0
353.09015	22.0
370.01605	37.0
388.21378	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	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05502	2.0
57.07071	1.0
65.03945	0.8
67.05502	2.3
69.03420	2.2
69.07065	1.5
71.04956	0.8
71.38844	1.0
73.02894	0.6
79.05493	4.5
81.07046	3.6
85.02898	2.6
91.05495	7.7
93.07053	3.9
95.04959	0.6
95.08587	2.0
97.02876	1.0
97.06548	0.9
99.04446	2.9
103.05482	0.8
105.07043	11.2
107.08601	10.2
109.10155	0.9
115.05453	0.9
116.06242	0.6
117.07036	5.4
119.08600	11.8
121.10155	11.1
123.08082	1.1
123.11643	1.0
127.44545	0.6
128.06203	0.7
129.07031	4.9
130.07773	1.9
131.08585	19.8
133.10130	5.6
133.93974	0.6
135.08057	3.3
135.11691	1.1
137.05991	0.7
137.13661	0.6
141.59367	0.6
143.08566	8.3
144.09393	3.4
145.09062	1.1
145.10141	14.4
147.11687	5.9
149.09587	1.5
149.13269	7.7
156.09325	0.8
158.10892	9.3
171.11696	0.9
173.13280	19.8
175.14816	9.0
191.14320	100.0
192.14684	1.2
207.13791	0.9
208.14214	1.1
209.15338	1.7
227.16420	2.2
253.37279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01855	1.0
57.03462	0.6
57.07066	2.2
61.02928	0.8
62.91777	0.5
67.05511	5.1
69.03413	2.5
69.07053	1.2
69.34010	5.3
71.05004	3.9
79.05483	3.4
81.03426	0.8
81.07065	3.5
83.04963	1.1
83.96381	0.6
85.02905	4.7
85.06568	0.9
91.05476	2.8
93.07046	2.7
95.04987	3.7
95.08618	3.9
95.61280	0.5
97.02893	1.0
97.06563	1.5
98.21549	1.3
105.07030	3.5
107.08589	7.2
109.06520	100.0
109.10160	21.3
110.06852	1.4
111.08084	1.8
117.07022	1.7
119.07777	0.6
119.08605	1.8
121.06508	0.6
121.10132	3.4
123.08070	8.5
125.07108	1.1
127.03985	0.9
131.08577	11.2
133.10127	7.4
135.08060	33.6
137.05933	3.5
138.06313	1.6
139.03911	2.7
139.11198	0.9
139.76457	0.7
140.04254	1.2
145.10141	2.0
147.11673	2.3
149.09610	2.0
149.13261	1.3
153.09128	4.8
158.10931	1.2
161.09587	0.7
167.06966	0.9
173.13268	14.0
175.03352	0.6
191.14311	54.1
192.14658	0.7
209.15372	60.2
210.15680	1.1
219.10193	0.6
388.14682	1.5
406.07538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01860	6.7
55.05504	1.9
57.07053	1.8
65.03940	1.5
67.05496	4.2
67.41252	1.3
69.03425	1.9
69.07053	5.0
71.04993	15.7
71.54828	2.1
79.05479	5.7
81.07069	8.2
83.08609	3.2
85.02892	6.5
85.06539	6.7
91.05482	10.0
93.07048	13.4
95.04978	2.7
95.08607	12.7
96.04494	3.0
97.06529	23.0
98.06863	3.3
101.85133	1.4
103.05500	2.0
104.15288	1.4
105.07039	14.1
105.82036	1.6
107.04936	3.4
107.08595	18.0
109.06512	10.1
109.10136	5.3
111.08081	4.1
117.07014	2.1
119.08584	7.8
121.06562	2.3
121.10148	23.8
122.03632	3.5
123.04411	5.3
124.04760	1.9
131.04918	5.7
131.08551	8.2
133.10133	85.3
135.08057	13.6
135.11649	1.8
137.04913	2.0
137.05971	39.1
138.06317	14.6
138.78682	1.5
139.03909	21.5
140.04233	11.3
145.10075	3.3
147.04413	1.7
147.11690	18.0
149.05908	1.7
149.13260	12.4
153.05431	2.3
161.05943	1.7
163.14822	8.6
167.07011	6.7
168.07336	2.0
173.13261	20.8
175.07510	2.3
177.05476	4.4
181.04980	19.7
189.09186	2.6
191.14308	100.0
192.14563	1.5
209.08098	10.9
209.15335	4.0
217.08595	2.3
219.10245	10.0
220.10524	14.2
277.08447	2.2
287.05334	1.8
296.09378	1.5
358.13553	6.3
377.73111	1.6
388.14725	15.0
388.19373	2.4
389.16058	11.0
392.97388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05502	2.0
57.07071	1.0
65.03945	0.8
67.05502	2.3
69.03420	2.2
69.07065	1.5
71.04956	0.8
71.38844	1.0
73.02894	0.6
79.05493	4.5
81.07046	3.6
85.02898	2.6
91.05495	7.7
93.07053	3.9
95.04959	0.6
95.08587	2.0
97.02876	1.0
97.06548	0.9
99.04446	2.9
103.05482	0.8
105.07043	11.2
107.08601	10.2
109.10155	0.9
115.05453	0.9
116.06242	0.6
117.07036	5.4
119.08600	11.8
121.10155	11.1
123.08082	1.1
123.11643	1.0
127.44545	0.6
128.06203	0.7
129.07031	4.9
130.07773	1.9
131.08585	19.8
133.10130	5.6
133.93974	0.6
135.08057	3.3
135.11691	1.1
137.05991	0.7
137.13661	0.6
141.59367	0.6
143.08566	8.3
144.09393	3.4
145.09062	1.1
145.10141	14.4
147.11687	5.9
149.09587	1.5
149.13269	7.7
156.09325	0.8
158.10892	9.3
171.11696	0.9
173.13280	19.8
175.14816	9.0
191.14320	100.0
192.14684	1.2
207.13791	0.9
208.14214	1.1
209.15338	1.7
227.16420	2.2
253.37279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01860	0.9
55.05497	1.2
57.03439	0.6
57.07063	1.2
61.02928	1.2
66.17792	0.6
67.05498	2.2
69.03436	35.7
69.07069	3.0
69.66616	4.2
71.05009	0.7
79.05486	1.6
81.07071	3.6
83.04963	3.1
83.08588	0.8
85.02903	5.8
85.06544	1.7
91.05472	2.2
93.07048	3.3
95.04951	0.7
95.08617	6.2
97.02885	2.3
97.06525	2.9
103.05448	0.7
105.07025	3.2
107.08600	11.3
109.02853	0.8
109.06517	3.3
109.10156	2.0
111.08070	2.2
111.10870	0.7
111.19883	0.7
119.08562	2.9
121.06489	1.7
121.10132	7.5
123.08046	2.6
123.11723	5.3
125.08772	1.2
125.09640	17.6
131.08571	4.4
133.10162	4.7
135.08073	8.8
135.11688	4.6
137.05962	1.5
138.06285	0.8
139.03902	5.6
140.04231	1.9
145.10118	2.9
147.11694	2.7
149.09634	5.6
149.13242	3.3
150.29457	0.7
151.11240	1.0
153.09097	7.2
158.10887	2.2
161.09618	1.0
163.11179	2.3
163.14807	4.3
165.12759	3.2
173.13263	17.3
176.11984	1.0
191.14320	62.3
192.14680	0.8
209.15379	100.0
210.15782	0.9
313.52029	0.7
388.19736	0.8
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	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03947	3.0
55.05508	6.2
57.03440	5.6
58.16140	1.9
61.02925	4.4
65.03948	2.3
67.05512	8.7
69.03429	19.5
69.07075	2.2
70.06592	5.1
71.05013	2.8
71.06958	2.1
71.54283	3.1
79.05491	10.5
81.03424	6.8
81.07069	12.8
83.04984	17.1
85.02914	36.6
85.03383	3.3
86.09728	3.1
91.03973	3.2
91.05477	19.3
93.07053	33.3
95.04995	6.8
95.08617	12.2
97.02897	11.1
97.03466	1.9
97.06532	3.0
98.97598	4.0
99.04476	9.5
105.07042	16.3
107.04985	2.6
107.08606	33.9
109.02876	4.4
109.04045	6.5
109.06540	7.6
109.10168	8.1
111.08107	2.4
117.07000	3.0
119.08598	17.4
121.06506	10.0
121.10150	33.9
123.04452	3.7
123.08087	21.2
123.11742	3.9
125.06034	8.6
125.09631	2.4
127.04035	4.0
127.05038	35.5
129.07042	3.2
133.06523	2.5
133.10167	6.6
135.07086	1.3
135.08061	36.7
135.11717	21.3
136.04065	2.3
137.09616	23.1
145.05045	1.9
145.10167	6.5
147.08037	9.7
147.11731	7.5
149.09641	11.5
151.07587	9.6
151.11192	4.2
159.11816	3.0
161.09656	2.3
161.13286	6.4
163.03937	3.8
163.11179	16.6
165.09120	37.7
165.12827	7.8
167.07083	8.3
167.10736	7.1
171.11647	2.4
177.05553	2.4
177.12738	10.4
179.10767	7.1
181.12254	56.2
189.12735	12.7
195.13905	5.8
205.12267	4.4
207.13817	31.8
225.11150	5.8
225.14867	63.8
253.08310	8.3
329.12198	7.6
369.15070	2.3
387.16345	100.0
388.16196	2.9
411.03461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.05515	2.5
56.23100	1.2
58.98720	1.0
61.02929	1.5
62.53728	1.1
64.21778	1.0
67.05516	3.7
69.03426	5.8
70.93112	1.8
70.93445	1.4
71.04990	1.2
79.05504	1.9
81.03438	1.6
81.07069	2.5
83.04973	2.3
85.02914	9.9
86.09721	1.2
91.05486	4.2
93.07047	6.5
95.04909	1.1
97.02888	2.3
97.06521	1.7
105.07016	2.9
107.08586	8.8
109.02915	1.4
109.06495	1.9
109.10172	3.5
119.08584	6.5
121.06566	1.2
121.10143	6.4
123.08079	4.9
125.05963	1.2
126.91279	1.0
127.03940	1.6
131.08545	1.8
133.10168	2.5
135.08109	5.9
135.11667	6.4
137.09628	15.0
145.05017	1.8
147.08067	2.7
147.11714	2.1
149.09634	3.7
151.07596	3.5
153.09117	1.6
156.09325	2.1
161.09619	2.2
161.13321	3.3
163.11224	6.7
165.09125	100.0
167.07007	2.3
171.11765	1.2
181.12263	13.3
189.12762	9.6
207.13846	21.6
225.14870	16.8
288.98502	1.1
387.16266	51.7
388.16406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.01850	5.4
55.05510	6.1
57.03423	10.2
61.02929	6.9
67.05500	9.4
69.03447	31.4
69.07048	6.4
71.50430	8.3
74.00285	4.5
76.63596	4.2
79.05501	10.1
81.03411	21.8
81.07058	9.4
83.04982	20.8
85.02911	32.4
87.04449	4.5
91.05469	10.0
91.57708	4.9
93.07053	25.8
95.08607	30.2
97.06543	4.6
100.33318	4.3
100.71244	4.8
104.82698	4.6
105.07024	18.7
107.04953	11.0
107.08614	25.1
109.02870	18.0
109.06541	7.7
109.10146	13.0
111.04463	9.1
112.49454	4.5
113.09693	5.6
119.08607	28.3
121.06493	9.2
121.10155	17.4
123.08068	23.6
123.11726	5.9
125.09628	5.3
127.03931	5.3
133.10168	8.3
135.08066	8.3
135.11697	11.1
137.09619	40.8
143.08577	6.0
145.04938	5.2
145.10126	19.3
147.08051	10.5
147.11696	14.9
149.09637	25.0
151.07497	12.1
159.11728	6.2
161.09605	4.5
161.13268	17.1
163.11200	58.0
165.07771	5.8
165.09114	99.1
167.10666	10.2
175.07562	9.9
177.12733	6.9
179.10672	15.7
189.12782	44.9
190.09734	5.9
191.10645	6.6
195.13835	5.6
205.12247	100.0
207.13815	76.3
225.14896	40.5
348.67624	4.6
387.15195	7.1
387.20010	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	387.2015
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.01879	3.7
55.05495	4.1
55.86323	2.4
56.12675	2.5
57.03434	5.4
58.06174	2.6
61.02898	2.7
67.05495	8.9
68.69317	2.6
69.03441	15.0
69.07059	3.1
70.15030	3.0
70.99783	7.4
71.05024	3.4
79.05481	7.3
81.03429	15.7
81.07049	11.3
83.04999	7.4
83.11365	2.9
85.02917	30.5
85.06550	3.3
91.05473	11.7
93.07041	12.3
95.04966	6.4
95.08615	26.1
97.02889	7.1
99.08102	5.2
105.07047	17.4
107.04974	6.7
107.08605	18.3
109.02892	3.3
109.06525	10.2
109.10175	7.2
111.04388	3.3
113.09646	5.3
117.07030	3.4
119.08620	28.0
121.06504	4.6
121.10181	15.4
122.03657	6.6
123.08133	14.1
127.03904	5.2
131.08534	3.5
133.06476	6.3
133.10188	6.9
135.08064	8.1
135.11676	7.0
137.05991	100.0
137.09625	30.7
142.82054	2.9
143.04831	3.4
143.08632	2.9
145.04962	4.0
145.06482	4.0
145.10176	17.6
147.08063	8.6
147.11700	17.6
149.09642	19.0
151.03922	3.3
151.07602	6.6
161.13242	16.3
161.60527	2.6
163.09868	4.7
163.11209	86.3
164.11658	2.5
165.09138	50.5
165.12772	7.9
167.07080	7.4
167.10606	2.9
171.11736	3.9
173.06044	3.3
174.10477	3.9
174.97072	2.8
177.12805	5.6
179.14340	4.0
181.04991	15.5
189.12755	30.4
195.13684	3.5
207.13832	59.3
209.35623	2.8
225.14891	26.9
267.06854	5.2
279.06894	3.7
357.13354	6.6
387.14392	37.4
387.19940	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	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.38224	2.1
50.68112	2.4
55.05507	3.7
57.07065	4.1
60.04181	2.2
61.33030	2.4
67.05502	20.0
69.03422	5.6
70.61152	6.9
79.05518	2.0
79.18623	2.2
79.53257	2.2
81.07076	5.2
83.04990	2.4
85.02908	7.6
85.06540	14.5
85.19865	2.4
91.05494	6.7
93.07045	9.8
93.65356	2.7
95.04954	4.1
95.08614	100.0
96.04695	2.4
97.02869	3.0
98.97627	2.5
105.07025	5.5
107.08608	6.9
109.06496	2.6
109.10162	5.7
113.06020	13.6
119.08590	18.1
121.10146	9.1
123.08070	35.1
123.11700	5.0
127.03928	2.9
131.08548	2.6
133.10120	2.4
135.08061	5.9
135.11674	15.6
137.09625	5.0
147.11711	6.8
149.09618	36.7
151.14891	3.6
161.13252	12.5
163.11179	7.4
165.12733	9.9
171.11728	2.5
179.14290	2.5
189.12764	19.2
207.13812	79.5
225.14828	3.3
257.04071	2.5
387.16006	7.1
397.96100	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	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05502	10.9
57.03432	6.8
57.07077	5.0
61.02927	5.0
66.27794	4.8
67.05497	12.6
69.03430	22.0
69.07059	11.4
69.38806	40.4
71.05000	10.2
79.05476	12.7
81.03413	23.3
81.07040	22.4
83.04961	10.5
85.02907	41.1
86.24384	4.8
91.05486	12.3
93.07047	31.8
95.08606	41.8
97.02887	10.7
98.21580	8.1
98.97570	17.7
99.08099	8.0
105.07024	40.4
107.04958	10.2
107.08610	34.5
109.02838	8.1
109.06528	13.3
109.10145	12.9
111.08066	7.8
113.09625	11.2
119.08630	31.8
121.10143	36.4
123.08067	19.4
123.11708	13.7
131.08542	6.2
133.06508	14.3
133.10144	13.7
135.08012	10.7
135.11685	14.4
137.05954	5.7
137.09634	54.8
145.04970	8.0
145.10143	16.1
147.04378	10.4
147.08043	19.7
147.11743	28.5
149.07086	6.1
149.09618	61.1
151.07628	7.1
158.99689	6.4
159.11661	6.6
161.13254	18.6
163.11189	83.9
165.09119	73.3
165.12718	8.5
171.11743	11.1
177.00763	6.3
177.12737	12.4
189.12723	58.0
205.12102	12.5
207.13826	100.0
212.28151	5.9
225.14879	83.1
305.21649	5.7
372.37405	4.9
387.12347	5.6
387.16269	53.9
387.19931	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	387.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
54.81173	0.4
55.05501	0.4
56.96577	0.8
57.28170	0.4
67.05508	0.5
67.76369	0.5
69.03416	1.8
69.07047	0.7
70.06570	0.5
71.05556	0.4
71.54523	0.8
73.62458	0.5
79.05475	1.7
81.03414	1.0
83.04993	0.7
85.02908	3.0
87.04458	2.5
91.05491	1.2
93.06959	0.5
95.04964	1.4
97.02851	0.9
98.97589	1.9
100.07607	1.3
105.03381	3.2
105.07024	1.1
107.04952	13.2
107.05632	0.9
108.05295	7.1
109.06515	0.8
110.97518	0.7
116.98628	0.6
118.08653	8.8
119.09106	2.4
123.04463	1.1
125.40426	0.6
127.03925	1.0
131.03552	0.5
133.10088	0.5
136.07645	0.6
139.03915	0.6
145.04941	0.8
147.04402	1.0
147.07996	0.7
163.03944	0.6
164.07091	0.8
167.07050	9.7
207.10162	1.5
207.13885	1.3
225.11125	1.4
343.13602	0.5
387.12506	8.1
387.16376	100.0
388.16620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.77372	2.1
53.03959	3.7
55.01865	5.1
55.05500	4.7
56.83401	1.8
57.03435	6.3
59.05002	2.0
61.02914	7.3
67.05493	6.6
69.03436	19.3
69.07063	5.6
69.44398	5.8
69.44825	7.1
70.06593	2.8
71.04974	3.7
79.05486	8.6
81.03413	7.7
81.07068	13.3
83.05013	3.1
85.02434	3.8
85.02912	43.2
85.06535	4.7
86.54253	2.0
87.00837	4.5
87.04433	2.3
91.02359	2.1
91.03970	2.6
91.05480	15.4
93.07050	12.4
94.04193	1.8
95.04956	3.3
95.08604	7.3
97.02897	14.2
97.06528	4.0
98.97411	2.1
99.04475	3.7
100.40092	1.7
103.05459	2.9
103.26905	2.1
105.01884	4.9
105.03385	3.9
105.07039	45.7
107.04961	2.5
107.08609	14.4
109.02879	6.8
109.06531	4.2
109.10155	6.7
116.18210	1.7
117.07024	4.7
119.08588	39.1
121.06500	5.1
121.10138	7.9
122.03622	4.0
123.04419	2.9
123.08070	19.8
123.11710	2.6
127.03928	12.4
131.08560	2.9
133.06602	1.9
133.10117	6.2
135.08080	12.5
135.11688	3.4
137.05997	48.0
137.09572	2.4
139.03908	15.6
145.04942	6.0
145.10141	4.6
147.11700	81.7
148.12122	2.8
149.09654	10.0
151.07529	7.1
151.11177	7.8
161.13284	3.3
163.03839	2.3
163.11203	6.6
165.12770	67.9
167.07039	6.5
173.05962	2.4
175.07533	4.4
177.12706	4.7
179.14346	2.5
181.04939	5.9
181.12209	5.7
189.12718	4.3
201.09143	2.7
203.59982	1.8
207.13817	100.0
210.79912	2.3
219.10130	5.3
225.14876	26.0
357.13293	7.2
387.14764	17.0
387.20059	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01875	1.4
65.03951	1.2
67.05492	1.1
68.99770	0.8
69.03431	0.8
69.07078	1.0
69.28555	4.7
79.05476	2.8
81.07072	1.0
85.02898	1.3
91.05468	2.1
93.03397	0.8
94.04198	2.3
94.66174	0.6
95.04989	1.8
97.06536	28.3
103.05482	3.5
105.04556	0.6
107.04965	1.6
109.06564	0.8
110.03661	0.6
111.04445	1.4
115.05453	2.5
117.07017	1.7
118.04173	1.0
119.04998	0.6
122.03648	7.9
123.04427	5.6
131.04947	4.4
133.02980	0.6
133.06490	1.1
137.05984	100.0
138.06317	0.7
139.03906	40.1
142.02609	0.9
143.04932	3.6
145.06491	2.3
148.05168	2.2
151.03928	10.9
151.05022	1.2
153.05540	0.6
155.05991	1.0
160.05211	0.8
161.05966	2.4
163.03891	3.4
163.07521	3.8
165.05453	0.7
167.07056	9.9
173.05992	3.2
175.07552	2.8
181.04959	19.7
181.06544	1.4
189.05481	0.7
191.07021	11.7
203.07060	1.6
205.08574	2.6
217.08655	2.2
219.10173	7.4
233.08127	1.1
235.09673	2.1
261.11285	0.7
351.12485	0.8
357.13318	12.1
369.13391	1.6
387.14413	34.2
388.14551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.89194	0.4
53.03948	0.5
55.01880	0.5
56.17225	0.4
56.33225	0.4
61.94428	0.4
65.03940	1.1
67.05501	0.7
68.99820	0.4
70.82619	1.0
79.05505	1.5
81.07061	0.4
82.04219	0.5
85.02914	0.4
91.05492	1.0
92.24863	0.4
92.71589	0.4
93.03388	0.7
94.04170	2.3
95.04983	0.6
97.06529	5.5
98.21437	0.4
98.68138	0.4
103.05472	2.6
105.07046	0.5
107.04949	1.7
110.03649	0.6
110.78690	0.4
111.04445	0.7
115.05470	1.9
117.07000	1.5
118.04153	0.9
119.04908	0.4
122.03664	8.3
123.04444	3.0
125.06007	0.5
131.04932	2.3
132.05704	0.6
133.06490	0.5
135.04413	0.5
137.05986	100.0
138.06323	0.7
139.03922	14.4
142.02591	0.5
143.04947	2.8
145.06519	1.7
148.05196	1.5
151.03923	8.3
151.05043	0.5
152.34009	0.4
161.06018	1.1
163.03932	1.1
163.07512	1.7
167.07060	9.2
171.06487	0.8
173.06004	3.3
175.07578	1.4
175.59082	0.4
181.04965	17.1
191.07042	7.4
201.09088	0.6
203.07047	1.7
205.08675	2.2
217.08624	0.5
219.10172	6.7
224.28371	0.4
233.08049	0.9
235.09659	2.5
327.12094	0.4
351.12323	0.5
355.11694	0.5
357.13345	13.2
369.13489	1.0
387.14404	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
50.65103	0.3
53.03938	0.6
53.23796	0.4
53.87460	0.3
55.01866	0.4
57.03433	0.5
65.00213	0.3
65.03934	0.7
66.04719	0.4
67.05499	0.8
69.03437	1.3
69.61936	1.7
71.05010	0.4
79.05495	1.1
81.03411	0.4
81.07061	0.8
83.04963	0.3
85.02907	1.8
87.04460	0.4
91.05484	1.4
93.03389	0.3
93.07044	0.8
94.04179	3.0
95.04971	0.6
95.08598	0.7
97.02883	0.8
97.06563	0.8
99.04429	0.4
101.73909	0.3
103.05499	0.5
105.07023	1.2
107.04964	0.8
107.08593	1.2
109.06503	0.4
109.10171	0.9
115.05476	1.6
117.06979	1.6
119.08588	0.9
121.06522	0.4
121.10149	0.8
122.03652	6.9
123.08058	0.8
125.06015	0.7
127.03941	0.5
131.04846	0.3
133.10147	0.6
135.08029	0.6
135.11696	0.3
137.05980	100.0
138.06339	1.1
139.03894	0.4
139.11165	1.3
143.04921	2.7
145.06482	1.9
147.04413	0.5
147.08038	0.5
147.11716	0.9
148.22958	0.3
149.09641	0.7
151.03908	2.2
151.07474	0.4
151.11162	0.5
153.05428	0.4
155.06001	0.6
161.13307	0.4
163.11151	1.0
165.12822	0.8
167.07054	8.8
173.06000	3.1
175.07565	0.9
177.80225	0.3
181.04953	11.2
181.12354	0.4
189.12749	1.1
203.07077	1.0
205.08560	1.9
207.13803	4.5
225.14886	2.2
233.08093	0.7
235.09657	1.9
245.08376	0.5
357.08890	0.6
357.13336	12.5
387.14307	36.9
388.14487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03955	6.5
55.01864	0.7
56.02238	0.4
67.05505	0.5
69.03434	7.6
69.38508	2.9
69.38927	1.1
77.03936	1.9
79.05492	1.4
79.10957	0.4
81.03423	3.5
83.01345	1.0
83.04980	0.9
91.05503	0.6
95.04979	6.3
97.02912	0.9
98.20810	1.0
105.03397	100.0
105.04544	3.0
105.07050	0.8
106.03728	0.5
109.02888	3.5
111.04473	0.7
121.02872	11.8
122.03700	0.6
123.04416	1.0
127.03935	3.7
129.01810	0.6
131.04916	0.7
133.06509	0.8
135.04425	21.3
137.05994	7.6
139.03920	6.5
145.06482	0.9
147.04437	0.6
149.02396	0.5
151.30933	0.4
157.06546	0.7
159.04495	0.7
163.03912	16.1
167.07060	0.7
173.05960	0.5
179.00197	0.5
181.04984	3.8
189.05544	0.5
189.70837	0.4
201.09143	1.2
203.07030	3.1
217.05077	0.5
229.05035	1.6
247.06078	1.7
265.07068	1.1
312.32898	0.4
327.44153	0.4
357.13519	1.0
369.09515	1.0
369.13623	1.0
387.14413	3.0
394.00919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.59526	0.3
55.01836	0.3
55.05491	0.3
55.86643	0.3
56.96523	0.5
57.03412	0.4
59.95179	0.3
61.02897	0.4
66.04681	0.3
67.05480	0.4
69.03391	1.1
69.62378	1.4
71.04964	0.4
71.26397	0.3
78.04685	1.1
79.05508	1.6
81.03398	0.7
81.07036	0.9
83.04960	0.6
85.02909	2.7
85.59364	0.3
86.09683	0.6
87.40666	0.3
91.05466	1.2
93.07005	1.0
95.01337	1.6
95.04985	2.0
95.08552	0.5
97.02852	1.0
98.97553	1.3
99.04430	0.8
103.05469	0.7
105.06407	0.3
105.07024	1.9
106.04115	0.9
107.04964	1.5
107.08562	1.0
109.02827	0.6
109.06495	0.8
109.10124	0.6
116.98602	0.5
119.08548	0.7
121.02840	0.4
121.06477	1.2
121.10147	0.5
122.03625	0.4
123.04432	4.3
123.08060	0.4
124.03866	0.5
124.05198	1.1
127.03898	0.7
131.08478	0.4
133.06458	1.2
133.10172	0.5
134.03595	0.6
135.04384	0.3
137.05946	0.8
141.01805	0.4
145.04938	0.4
147.08014	0.4
149.05969	1.7
149.09627	0.7
151.03918	1.2
151.07521	0.7
152.04662	1.3
153.09071	0.7
161.06004	0.9
163.11063	0.5
165.05525	0.3
167.07040	100.0
168.07373	0.9
179.07098	0.3
181.08623	1.2
189.12703	0.4
193.08582	3.8
207.10168	0.9
207.13786	1.7
211.09663	3.8
225.07562	0.4
225.11174	1.0
225.14955	1.1
283.08771	0.3
387.16406	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	386.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.5
57.03443	0.9
57.07076	12.2
59.04989	0.8
61.02915	2.1
63.04471	0.8
69.03436	3.4
70.67918	1.3
70.68250	0.7
73.06546	1.1
81.03405	2.0
81.07082	1.4
83.08610	2.6
85.02911	12.8
89.06033	63.2
91.05401	0.7
95.08566	1.0
97.02895	2.9
98.97565	1.1
99.04435	0.9
101.09651	10.8
105.07069	0.7
105.71333	0.7
107.07046	2.7
109.02873	1.3
117.30628	0.7
119.10698	1.2
121.02850	1.4
127.03896	2.7
133.08606	17.8
137.05948	1.4
137.09558	1.4
139.03902	1.3
140.72820	0.7
145.04945	2.3
145.12234	10.6
147.11710	1.3
151.09656	22.6
165.09120	4.8
174.27890	0.7
181.12405	0.7
189.12778	1.0
207.15912	100.0
208.16266	1.2
225.14777	0.8
261.08524	0.9
386.12439	1.6
386.18610	1.6
387.16107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1603
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
54.03465	0.7
55.01882	0.7
57.03450	0.6
57.07076	10.5
66.49538	0.5
68.99792	1.4
69.03437	3.3
70.06596	100.0
70.74934	0.6
70.75269	0.9
71.05002	0.7
71.06944	0.5
79.05503	0.8
81.03425	3.4
81.07072	1.1
83.04993	1.4
85.02915	5.9
85.06553	3.0
89.06063	1.5
91.05489	1.1
93.07064	1.4
97.02901	2.6
98.97617	1.5
103.05501	0.6
103.07603	2.1
107.04987	1.8
109.02877	2.5
109.06529	1.0
119.04964	2.0
119.08689	0.6
121.02880	1.1
121.06516	1.2
121.10123	0.6
123.04427	11.1
127.03913	3.5
131.04913	1.0
135.04445	1.7
137.06009	0.8
145.04997	1.5
147.04417	9.0
148.04836	0.7
149.05995	4.9
151.07571	0.6
158.99767	0.6
163.03918	0.6
165.05455	3.8
177.05478	59.2
178.05891	1.1
189.05547	0.6
207.06587	1.1
219.06604	0.6
220.44025	0.6
225.14932	1.4
227.58868	0.5
229.10762	2.9
234.11282	3.4
247.11795	9.1
306.49918	0.6
313.85495	0.5
329.10165	9.3
333.15460	0.7
386.15842	63.7
387.16327	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3102
Annotation	SESQUICANNABIGEROL
Peak:m/z	Relative Intensity
53.03914	2.0
55.05510	9.0
57.07064	3.0
67.05512	11.5
69.03423	4.5
69.07071	14.1
71.57394	3.2
74.64487	1.8
79.05496	11.9
81.07067	25.5
83.08618	5.9
85.06539	2.1
90.26186	2.1
91.05495	10.8
93.07044	28.8
94.14053	1.8
95.08614	55.5
97.06552	2.0
97.10148	4.0
105.07028	26.0
107.07877	3.5
107.08597	58.4
109.09464	3.7
109.10163	43.6
117.06992	2.1
118.68160	2.0
119.06151	1.8
119.08595	25.6
120.01136	1.7
121.10145	100.0
123.08089	1.9
123.11692	9.7
131.08636	3.8
133.10118	32.4
135.11690	64.4
135.49022	1.7
137.13225	5.4
145.10103	5.2
147.11691	22.6
149.09631	3.6
149.13261	14.0
151.69788	1.9
159.11722	8.1
161.13258	16.0
162.13481	1.9
163.11169	4.3
163.14819	11.3
167.10703	5.8
173.13278	4.0
175.14844	8.6
177.12758	6.5
177.16408	5.7
181.12263	11.2
187.14801	2.2
189.16364	11.8
191.17950	68.9
193.12207	8.8
195.13780	15.9
201.16364	2.4
203.17949	24.8
205.19550	6.8
207.13924	3.8
217.19548	16.7
221.15431	3.9
275.20206	2.5
361.60703	2.8
385.12698	2.1
385.26379	3.9
385.30975	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01867	1.9
55.05515	5.0
56.96558	1.0
57.03438	1.5
57.07068	1.9
58.44748	0.9
67.05508	6.7
69.03435	7.6
69.07065	4.1
71.04998	2.1
71.57082	1.2
79.05486	4.8
81.03417	9.1
81.07057	7.0
83.04967	3.5
83.08626	1.7
85.02908	7.2
85.06549	11.1
91.05478	3.6
93.07051	10.8
95.04975	3.1
95.08604	9.8
97.02910	1.8
97.06529	2.8
98.97597	1.2
99.04469	1.2
99.08095	1.2
105.03388	4.1
105.07035	6.5
107.04967	2.8
107.08610	5.3
109.02883	2.4
109.06514	4.2
109.10152	9.0
111.08079	2.4
115.41026	0.9
117.06956	1.3
119.08553	4.3
121.06513	5.1
121.10159	12.5
123.04433	5.0
123.08060	2.7
123.11693	1.9
125.09627	1.4
127.03905	1.7
131.04930	1.2
131.08554	1.0
133.10117	2.4
135.08054	2.3
135.11678	2.4
137.05986	2.1
137.09622	2.7
139.03932	1.2
139.07527	4.7
145.04980	2.1
145.10117	1.1
147.04341	1.4
147.11656	1.5
147.25864	0.9
149.09679	5.5
151.03897	1.9
151.11160	1.4
153.01845	4.5
157.06535	1.2
161.13235	2.1
163.11147	1.5
163.14833	2.0
165.05460	1.3
165.12781	8.7
171.11597	1.1
187.14774	1.2
189.09166	1.7
193.15881	2.2
205.15869	2.3
207.49496	0.9
223.16937	100.0
367.23138	1.1
385.12857	2.0
385.18405	1.7
385.23517	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68400	2.6
55.01863	2.7
55.05511	14.2
57.03442	2.5
57.07064	2.7
59.52789	2.2
67.05517	24.7
69.03408	7.3
69.07082	13.0
69.39993	17.8
71.04977	2.6
71.08639	14.4
79.05492	19.3
81.07051	33.1
82.83115	2.4
83.04966	7.3
83.08620	7.4
85.06542	5.8
91.05492	17.0
93.07053	33.2
95.04980	15.9
95.08603	23.4
96.05727	2.9
97.02901	10.7
97.06534	8.7
97.10146	3.8
98.20775	3.9
99.08083	10.3
105.06374	2.2
105.07025	11.6
107.04961	3.2
107.08584	15.2
109.06508	17.0
109.10143	11.2
111.04436	13.6
113.06036	3.0
117.07030	3.9
119.08588	9.0
121.06556	14.6
121.07262	2.5
121.10173	21.8
123.04412	11.2
123.08062	8.2
123.11710	4.1
124.05226	3.6
129.07007	4.2
131.08578	12.9
133.06453	3.8
133.10147	5.4
135.08034	5.0
135.11662	5.3
137.05939	3.7
137.09586	5.3
139.11209	3.7
145.10078	4.8
147.08061	3.0
147.11684	4.7
147.63860	2.7
149.02316	3.7
149.09647	13.0
151.11147	4.0
155.08527	2.9
161.13232	4.1
163.11102	4.0
165.12747	17.0
167.10672	4.1
171.11713	3.5
181.12242	100.0
189.12740	4.9
207.13892	3.7
280.12097	2.3
287.20013	3.1
289.21762	12.9
293.20984	11.2
305.21191	23.3
329.20328	2.5
341.54178	2.5
349.28391	2.6
351.25281	83.7
352.25555	3.3
367.24426	2.8
385.23700	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	385.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01867	1.9
55.05515	5.0
56.96558	1.0
57.03438	1.5
57.07068	1.9
58.44748	0.9
67.05508	6.7
69.03435	7.6
69.07065	4.1
71.04998	2.1
71.57082	1.2
79.05486	4.8
81.03417	9.1
81.07057	7.0
83.04967	3.5
83.08626	1.7
85.02908	7.2
85.06549	11.1
91.05478	3.6
93.07051	10.8
95.04975	3.1
95.08604	9.8
97.02910	1.8
97.06529	2.8
98.97597	1.2
99.04469	1.2
99.08095	1.2
105.03388	4.1
105.07035	6.5
107.04967	2.8
107.08610	5.3
109.02883	2.4
109.06514	4.2
109.10152	9.0
111.08079	2.4
115.41026	0.9
117.06956	1.3
119.08553	4.3
121.06513	5.1
121.10159	12.5
123.04433	5.0
123.08060	2.7
123.11693	1.9
125.09627	1.4
127.03905	1.7
131.04930	1.2
131.08554	1.0
133.10117	2.4
135.08054	2.3
135.11678	2.4
137.05986	2.1
137.09622	2.7
139.03932	1.2
139.07527	4.7
145.04980	2.1
145.10117	1.1
147.04341	1.4
147.11656	1.5
147.25864	0.9
149.09679	5.5
151.03897	1.9
151.11160	1.4
153.01845	4.5
157.06535	1.2
161.13235	2.1
163.11147	1.5
163.14833	2.0
165.05460	1.3
165.12781	8.7
171.11597	1.1
187.14774	1.2
189.09166	1.7
193.15881	2.2
205.15869	2.3
207.49496	0.9
223.16937	100.0
367.23138	1.1
385.12857	2.0
385.18405	1.7
385.23517	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66731	1.8
55.05499	5.6
57.03436	3.1
61.02924	3.1
67.05499	3.0
69.03442	11.9
70.00986	4.3
70.01378	2.8
71.04973	3.4
74.10853	1.5
79.05490	6.7
81.03407	5.7
81.07053	4.0
83.04996	9.3
85.02913	16.8
85.52235	1.6
91.05466	6.9
93.07045	8.4
95.04960	2.9
95.08575	4.2
97.02869	6.3
97.06530	3.2
98.58382	1.6
99.04465	2.4
105.07042	13.5
106.02913	4.7
107.03276	2.8
107.04953	3.5
107.08593	10.4
109.02886	1.9
109.06553	2.9
109.10133	2.4
111.04436	2.4
117.07020	6.8
119.08599	9.1
121.06492	7.5
121.10146	7.6
123.04446	2.6
123.08049	4.5
124.03965	10.2
125.04273	5.4
127.03891	3.1
128.06190	2.1
129.06984	5.9
130.07799	2.2
131.04910	2.2
131.08534	9.0
133.10135	14.7
135.08061	14.0
135.11685	8.3
136.08829	3.1
137.09541	1.9
144.09355	13.3
145.04982	2.2
145.10164	10.1
146.07243	3.3
147.04427	2.1
147.08020	3.3
149.09628	12.2
149.13297	2.1
159.11702	42.0
161.09639	25.5
162.10242	2.0
163.11197	60.6
165.09142	1.9
167.07066	3.8
169.10167	2.0
172.08833	13.8
175.07506	3.1
177.05495	1.9
177.09244	2.4
177.12758	51.9
187.11192	74.9
205.12253	100.0
222.27785	1.9
223.09428	4.1
223.13252	7.2
251.07401	2.2
254.80106	1.8
268.08145	1.9
269.08478	6.0
380.90616	1.7
385.14627	5.1
385.18494	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.147
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
55.36145	0.3
59.29114	0.4
63.00358	0.3
70.95124	0.7
82.66936	0.4
96.82755	0.4
97.02885	0.4
98.97546	0.4
119.08559	0.5
124.33862	0.3
147.08073	0.8
152.33781	0.3
180.55798	0.4
223.09473	1.3
223.13333	0.5
271.11490	0.6
275.34586	0.3
335.24280	0.4
385.14676	100.0
386.15005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1469
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
54.17458	0.4
56.96564	0.4
60.00724	0.4
65.32798	0.3
69.03420	0.6
69.75931	0.9
69.76344	1.6
70.06593	4.6
79.05483	0.4
81.07045	0.5
85.02894	1.4
91.05484	3.9
91.57249	0.4
93.33517	0.4
97.02866	0.6
98.97592	2.3
107.04942	0.9
107.08620	0.5
109.03164	0.4
119.04940	1.6
121.06482	0.7
123.04426	0.8
131.08533	0.8
147.04411	7.2
147.08035	0.4
148.04752	0.5
163.11150	0.5
167.07069	0.4
177.05469	2.4
189.62425	0.4
205.12036	0.8
219.01895	0.5
223.06143	0.4
223.09424	0.8
239.05904	0.6
250.06020	2.3
259.06488	2.0
261.02881	0.5
267.79614	0.4
309.83557	0.4
325.03699	1.0
353.07593	0.8
385.14679	100.0
386.15689	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	385.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
54.02398	0.8
55.01865	1.6
57.03431	1.0
61.02923	2.2
67.05490	0.8
69.03433	7.3
69.46360	4.9
71.04995	1.3
73.02925	0.9
79.05473	2.8
81.03405	3.0
85.02908	42.7
87.04474	1.9
91.05441	1.8
93.07041	7.9
93.77940	0.8
95.08568	1.4
97.02888	5.4
98.20757	1.4
99.04452	4.9
101.02387	0.8
105.07037	5.8
106.02927	0.9
107.08592	14.5
109.02838	1.8
109.06493	1.2
109.10136	1.4
111.04440	2.5
117.06986	1.4
118.36021	0.8
119.08579	11.4
121.06499	2.3
121.10139	19.3
123.08090	1.3
123.11658	1.2
125.05996	2.1
127.03911	2.4
131.08566	1.3
135.08069	1.5
135.11652	1.4
137.06102	0.8
137.09573	0.8
143.08484	1.1
145.04945	1.6
145.10194	4.8
147.04427	1.4
147.08058	3.8
159.11699	2.3
160.94936	0.8
163.11185	9.8
165.09103	2.0
177.12773	2.9
181.12257	4.3
187.11189	3.0
189.09109	1.0
190.09726	1.0
205.12241	100.0
206.12564	1.3
207.13756	1.5
223.13301	39.2
223.95744	0.9
228.76965	0.9
311.42490	0.9
385.14334	1.2
385.18521	10.8
395.76578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.01852	5.7
55.05502	3.9
56.53164	1.8
56.96559	5.6
57.03429	3.6
59.04997	2.6
61.02924	2.0
63.27126	1.7
65.03916	1.6
69.03440	8.4
70.41035	6.5
71.04995	3.0
73.02905	2.2
73.06550	5.1
77.29506	1.6
79.05480	6.8
81.03419	4.8
83.04989	3.4
85.02902	16.7
87.04455	6.0
89.06030	12.0
91.05482	4.4
95.04944	4.7
97.02895	10.3
97.30804	1.5
98.97580	9.7
99.04452	2.0
101.06037	7.8
103.05439	6.7
105.05507	2.5
105.07031	54.0
107.04937	6.7
109.02915	3.6
114.95294	3.4
115.03948	2.0
115.05461	11.9
116.98621	5.0
117.07006	4.2
118.04141	4.4
119.07034	2.6
123.04444	8.9
126.82622	1.7
127.03912	10.5
129.07039	2.2
131.00203	2.6
131.04929	6.7
132.05675	2.2
132.96312	3.1
133.06494	54.6
135.06528	2.6
136.06155	5.5
137.05934	2.6
143.04993	2.0
143.06061	3.7
144.05748	2.0
145.04990	4.7
145.06454	7.8
147.04401	4.3
147.08107	2.2
150.97383	2.5
151.03926	9.3
155.07014	2.8
157.06493	3.9
158.99692	2.3
161.05983	100.0
162.07692	3.0
163.07930	2.2
167.07056	27.2
169.06459	1.8
173.05983	3.6
175.04001	2.5
175.05986	2.5
175.07497	2.0
177.00685	1.9
177.05449	2.7
179.07011	2.4
181.04997	2.6
183.06528	3.3
187.07501	2.0
189.05504	3.1
190.06174	2.0
191.07063	2.9
192.07747	3.1
193.08592	60.3
193.10323	3.7
196.97992	3.2
201.05496	3.5
203.07097	3.4
205.08643	4.6
207.06543	10.5
215.07106	2.3
217.05020	2.0
219.01717	2.9
219.06621	5.6
221.08113	4.3
223.02347	5.7
223.05905	3.4
223.09628	1.9
227.06976	1.7
229.04866	2.6
231.06493	3.8
233.04384	5.2
233.08083	4.2
234.99001	2.2
237.02849	4.1
244.97632	1.9
245.08058	2.1
247.06146	2.7
249.07475	2.0
251.09142	27.7
252.07280	6.1
253.00218	1.9
253.07564	10.5
261.07523	12.9
263.09122	4.0
275.09091	7.1
277.07101	2.2
289.07004	2.4
293.10077	4.0
307.08130	6.9
318.98877	2.9
325.06049	2.1
349.08755	2.4
385.02127	3.9
385.10849	14.0
385.15201	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
54.50098	4.0
55.01864	14.7
55.05507	30.7
56.13628	4.9
57.03432	20.7
61.02925	9.2
67.05502	36.5
67.37586	4.9
69.03437	60.9
69.07078	25.2
69.07372	3.9
69.56281	27.8
69.56686	7.6
71.04995	79.5
73.02908	14.8
79.05499	41.0
81.03421	28.3
81.07058	100.0
81.52654	4.2
83.04993	16.5
83.08606	15.0
85.02898	72.7
85.06550	7.4
87.04472	8.6
91.05477	59.7
93.07051	85.5
95.04972	32.7
95.08618	69.2
97.02895	35.0
97.06525	18.3
98.20763	10.4
99.04446	12.9
99.08092	10.0
103.03963	18.7
103.05403	5.6
105.07032	98.8
105.07693	7.7
107.04984	8.8
107.08603	84.1
109.02888	9.4
109.06512	23.6
109.10160	87.2
111.04464	19.3
111.08096	8.1
115.03921	10.1
117.07040	18.9
119.08588	96.2
121.06499	19.3
121.10142	69.9
123.04478	13.2
123.08086	19.2
123.10931	4.3
123.11706	27.3
125.09638	28.8
127.03908	14.2
127.11186	48.6
128.06210	7.8
129.05481	6.3
129.07025	21.3
131.08553	42.6
133.05029	5.5
133.06468	6.8
133.10136	84.6
135.08081	14.3
135.11696	63.7
137.06024	7.0
137.09659	15.0
137.13261	5.7
141.06999	9.8
142.07774	13.8
143.08528	30.4
143.10669	13.4
144.09352	7.0
145.05011	8.5
145.06461	5.5
145.10123	57.0
146.07262	4.9
147.08040	15.8
147.11690	71.2
149.09619	9.6
149.13260	17.0
151.07582	6.9
151.11212	7.3
153.12773	21.6
155.08603	13.5
156.09412	6.9
157.10139	42.7
159.06635	6.1
159.08022	10.8
159.11703	82.7
161.09639	18.2
161.13243	29.8
163.11163	9.2
163.14787	7.9
165.09122	5.5
165.12816	11.4
169.10191	13.1
171.11638	29.2
173.09645	10.1
173.13228	24.0
175.11177	14.9
175.14876	11.9
177.12779	13.4
177.16354	8.0
180.09279	6.3
181.08667	5.4
181.10178	10.0
183.11710	18.6
185.09621	6.7
185.13283	19.2
187.11224	11.1
187.14825	17.8
189.09108	8.8
189.12741	14.3
189.16417	33.0
193.15878	12.7
195.11719	11.5
197.13213	11.9
199.11186	7.0
199.14828	13.4
201.12708	18.7
201.16406	21.3
203.14331	6.4
203.17972	28.0
207.11826	8.4
209.13260	6.0
213.16505	6.1
215.17975	8.8
217.10721	16.6
218.07462	5.0
219.17412	9.5
221.15253	6.4
221.19006	14.3
223.14764	8.0
225.10927	5.7
225.12881	12.7
225.16289	7.4
227.17961	8.5
229.07338	6.0
229.15881	7.1
231.13675	4.9
231.17436	8.0
233.18991	17.1
241.15810	6.2
241.19551	6.6
243.13873	11.7
243.17509	8.7
245.19040	28.3
257.19110	8.0
259.16867	9.1
261.14841	12.7
261.18616	6.0
263.20056	15.9
269.18878	8.9
287.20154	10.4
292.01840	4.8
293.19205	7.7
299.20099	12.8
305.21017	10.2
311.20074	19.2
329.21057	28.5
347.22214	19.3
365.23209	32.3
383.11038	6.5
383.15952	6.1
383.20251	7.6
383.24432	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03936	6.9
55.05508	16.9
57.03429	3.4
57.07072	8.0
59.04990	8.2
62.27080	2.8
62.37424	2.6
65.03942	3.2
67.05505	45.5
69.03421	18.1
69.07054	13.8
70.72782	7.6
71.04982	4.6
74.44879	3.4
77.03912	3.7
79.05494	33.0
81.03397	8.4
81.07060	45.2
83.04958	11.3
83.08597	10.9
84.04492	4.8
85.06536	5.5
88.40431	3.2
89.25096	2.7
91.05482	47.8
93.07049	87.6
95.04974	27.2
95.08083	3.0
95.08620	50.8
97.02929	3.7
97.06548	16.8
105.07035	72.8
107.08600	55.7
109.06533	24.1
109.10162	39.3
111.04453	3.1
111.08094	6.3
115.05444	4.2
117.07008	10.9
119.08592	57.6
121.06509	15.4
121.09327	5.0
121.10138	49.9
123.08065	31.4
123.11759	4.0
125.05980	4.0
128.06227	6.6
129.06943	12.2
129.80202	4.0
130.05025	7.8
131.08595	28.1
133.06519	6.1
133.10143	28.4
133.13016	3.0
135.08076	29.0
135.11696	9.7
137.05972	5.1
137.09621	10.6
141.06987	7.1
142.07800	15.0
143.08553	28.1
144.09337	8.7
145.10139	46.7
147.08060	18.2
147.11708	17.7
148.08896	3.5
149.09630	24.9
149.13266	4.6
151.07541	35.2
155.08556	8.5
156.09357	9.8
157.10155	37.7
159.08055	4.9
159.11700	22.7
160.08861	6.7
161.09625	22.0
161.13249	5.7
163.11188	6.1
165.09113	36.1
169.10083	6.4
170.10870	5.6
171.11681	12.2
173.09650	12.3
173.13258	11.7
175.11201	18.3
175.14870	7.8
177.09137	10.4
181.10150	5.5
181.12181	3.7
183.11690	9.1
185.13246	16.7
187.11211	4.9
187.14761	8.4
189.12743	13.3
191.14250	4.2
195.11789	4.7
197.13220	6.9
199.14864	5.0
201.12735	7.0
203.14296	25.3
207.11880	3.4
207.13771	9.0
209.13301	4.5
209.15283	4.8
211.14847	5.5
213.12781	4.8
215.14284	8.4
219.13780	5.5
221.13356	2.9
221.15369	69.7
223.14897	3.0
225.16327	3.1
227.14339	11.9
231.13873	4.2
233.15443	8.4
234.16144	10.7
237.14859	6.4
239.14302	3.8
241.15944	3.8
243.10753	4.9
251.11273	4.6
269.12338	8.3
285.18680	4.2
286.19269	6.9
287.20044	8.4
299.20020	5.6
301.20099	7.1
303.19513	3.8
347.23834	3.9
365.24448	15.1
382.60992	3.1
383.25732	100.0
384.25446	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
54.50098	4.0
55.01864	14.7
55.05507	30.7
56.13628	4.9
57.03432	20.7
61.02925	9.2
67.05502	36.5
67.37586	4.9
69.03437	60.9
69.07078	25.2
69.07372	3.9
69.56281	27.8
69.56686	7.6
71.04995	79.5
73.02908	14.8
79.05499	41.0
81.03421	28.3
81.07058	100.0
81.52654	4.2
83.04993	16.5
83.08606	15.0
85.02898	72.7
85.06550	7.4
87.04472	8.6
91.05477	59.7
93.07051	85.5
95.04972	32.7
95.08618	69.2
97.02895	35.0
97.06525	18.3
98.20763	10.4
99.04446	12.9
99.08092	10.0
103.03963	18.7
103.05403	5.6
105.07032	98.8
105.07693	7.7
107.04984	8.8
107.08603	84.1
109.02888	9.4
109.06512	23.6
109.10160	87.2
111.04464	19.3
111.08096	8.1
115.03921	10.1
117.07040	18.9
119.08588	96.2
121.06499	19.3
121.10142	69.9
123.04478	13.2
123.08086	19.2
123.10931	4.3
123.11706	27.3
125.09638	28.8
127.03908	14.2
127.11186	48.6
128.06210	7.8
129.05481	6.3
129.07025	21.3
131.08553	42.6
133.05029	5.5
133.06468	6.8
133.10136	84.6
135.08081	14.3
135.11696	63.7
137.06024	7.0
137.09659	15.0
137.13261	5.7
141.06999	9.8
142.07774	13.8
143.08528	30.4
143.10669	13.4
144.09352	7.0
145.05011	8.5
145.06461	5.5
145.10123	57.0
146.07262	4.9
147.08040	15.8
147.11690	71.2
149.09619	9.6
149.13260	17.0
151.07582	6.9
151.11212	7.3
153.12773	21.6
155.08603	13.5
156.09412	6.9
157.10139	42.7
159.06635	6.1
159.08022	10.8
159.11703	82.7
161.09639	18.2
161.13243	29.8
163.11163	9.2
163.14787	7.9
165.09122	5.5
165.12816	11.4
169.10191	13.1
171.11638	29.2
173.09645	10.1
173.13228	24.0
175.11177	14.9
175.14876	11.9
177.12779	13.4
177.16354	8.0
180.09279	6.3
181.08667	5.4
181.10178	10.0
183.11710	18.6
185.09621	6.7
185.13283	19.2
187.11224	11.1
187.14825	17.8
189.09108	8.8
189.12741	14.3
189.16417	33.0
193.15878	12.7
195.11719	11.5
197.13213	11.9
199.11186	7.0
199.14828	13.4
201.12708	18.7
201.16406	21.3
203.14331	6.4
203.17972	28.0
207.11826	8.4
209.13260	6.0
213.16505	6.1
215.17975	8.8
217.10721	16.6
218.07462	5.0
219.17412	9.5
221.15253	6.4
221.19006	14.3
223.14764	8.0
225.10927	5.7
225.12881	12.7
225.16289	7.4
227.17961	8.5
229.07338	6.0
229.15881	7.1
231.13675	4.9
231.17436	8.0
233.18991	17.1
241.15810	6.2
241.19551	6.6
243.13873	11.7
243.17509	8.7
245.19040	28.3
257.19110	8.0
259.16867	9.1
261.14841	12.7
261.18616	6.0
263.20056	15.9
269.18878	8.9
287.20154	10.4
292.01840	4.8
293.19205	7.7
299.20099	12.8
305.21017	10.2
311.20074	19.2
329.21057	28.5
347.22214	19.3
365.23209	32.3
383.11038	6.5
383.15952	6.1
383.20251	7.6
383.24432	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01868	13.0
55.05518	28.3
57.03431	12.8
57.07077	6.8
57.97375	4.1
61.02925	9.9
61.93323	4.4
67.05507	34.6
69.03439	40.3
69.07066	26.0
69.44390	11.3
69.44818	21.8
71.04998	47.7
71.62746	4.2
73.02917	9.1
79.05484	44.3
81.03424	26.8
81.07059	100.0
83.04966	13.3
83.08602	12.6
85.02905	40.2
85.06522	4.6
91.05489	42.6
93.07038	65.1
93.37432	4.4
95.04993	22.4
95.08609	69.5
97.02882	23.8
97.06541	16.3
97.10238	4.0
98.21541	8.8
99.04434	6.4
99.08062	5.0
103.03939	12.9
104.88210	3.9
105.07033	73.7
107.04966	11.9
107.08600	80.6
109.02893	6.7
109.06524	18.1
109.10154	84.2
111.04437	9.0
111.08057	7.8
115.03960	7.7
115.05478	6.1
117.07061	15.3
119.08579	76.9
121.06517	8.9
121.10149	41.1
123.08073	13.0
123.11744	29.9
125.09636	15.8
127.03922	5.6
127.11182	46.0
129.05518	6.6
129.07027	10.6
131.08574	41.8
133.06494	7.2
133.10126	66.2
135.08080	12.3
135.11688	57.2
137.05994	8.4
137.09627	10.3
139.11307	4.4
141.05441	5.0
142.07762	9.1
143.08578	21.0
145.10141	39.7
147.08005	6.6
147.11699	48.4
149.09691	9.0
149.13275	11.3
153.01837	5.0
153.12723	33.7
155.08539	7.0
156.09364	5.3
157.10135	28.9
159.08064	8.0
159.11702	60.5
161.09651	12.6
161.13280	22.3
163.11249	5.7
163.14870	7.0
165.12767	8.7
169.10158	10.0
171.10448	4.4
171.11668	25.9
173.13271	19.7
174.11517	4.6
175.11230	13.3
175.14832	14.7
177.09261	6.2
177.12773	11.0
177.16400	10.5
183.11729	10.6
185.13258	11.0
187.11198	5.4
187.14836	8.7
189.09207	5.8
189.12746	10.1
189.16403	14.4
191.10681	4.7
193.15912	15.6
195.11652	4.7
197.13321	7.0
199.14893	6.3
201.12793	16.4
201.16391	14.4
203.14313	9.1
203.17914	23.0
213.16489	8.2
215.17992	6.2
219.17346	9.5
221.08080	15.0
221.19093	12.6
225.12883	12.3
231.17506	5.3
233.19026	16.4
243.13898	6.6
243.17523	6.6
245.19072	21.1
261.14850	6.0
263.20190	9.2
269.18845	7.7
287.20111	5.2
305.21149	6.6
311.20105	15.6
329.21204	9.2
347.22141	14.0
365.23242	16.6
383.11505	10.9
383.16006	6.0
383.24435	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	383.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01859	1.2
55.05508	2.8
57.03441	3.6
57.07079	100.0
59.05003	1.5
61.02919	1.8
67.05505	2.0
69.03093	1.3
69.03436	20.6
70.06565	2.1
71.04997	5.6
79.05483	1.6
81.03417	13.0
81.07055	3.0
83.04980	7.3
85.02909	44.6
85.06546	26.6
91.05470	3.0
91.77659	1.1
93.07027	2.0
95.08588	1.3
97.02902	13.0
98.97580	2.1
99.04453	3.5
101.06017	16.0
103.07587	19.7
105.03383	1.5
105.07009	1.9
107.04904	1.6
107.08575	2.3
109.02893	11.3
109.06564	1.5
119.08614	2.0
121.10115	1.9
123.11700	1.4
126.59700	1.2
127.03926	30.6
135.08061	1.8
137.06038	1.3
139.04027	1.2
141.12744	1.8
145.04979	9.5
147.04391	2.2
149.18246	1.1
153.09097	1.3
163.44183	1.2
203.14424	1.4
211.09665	2.4
219.01598	1.1
229.10728	19.1
245.11896	1.3
247.11784	63.1
248.11960	1.2
253.24277	1.3
266.25421	1.3
284.22949	1.1
299.05350	1.4
347.17157	5.5
353.99057	1.2
368.12045	1.3
383.16916	18.9
383.20779	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	383.2065
Annotation	Viguilenin
Peak:m/z	Relative Intensity
53.03955	0.7
67.05505	3.8
69.03420	1.5
70.52188	0.6
70.99357	0.7
70.99677	1.5
79.05483	3.4
81.03403	0.9
81.07059	7.1
85.02924	0.9
85.06548	1.3
91.05480	7.2
93.07042	8.3
95.04993	1.4
95.08603	4.5
97.06501	0.9
105.07039	8.1
107.04958	2.0
107.08596	9.1
109.06534	1.4
109.10158	11.3
111.08097	1.3
117.07023	2.7
119.04964	2.1
119.08581	9.0
121.02867	5.2
121.06490	1.7
121.10168	3.2
123.08126	0.7
125.09605	1.1
125.65051	0.6
129.07045	1.0
131.08574	4.7
133.06517	1.4
133.10121	1.3
135.08060	6.2
135.11697	1.4
137.06004	1.0
137.09650	2.7
138.69203	0.7
139.03986	0.8
139.07590	0.9
143.08563	3.1
145.10159	4.5
147.08080	1.9
147.11716	3.2
149.09628	3.8
153.09111	9.2
155.07071	2.0
155.08559	1.8
156.09308	0.8
157.10052	3.2
159.08038	0.8
159.11720	2.9
161.09685	1.2
163.11176	1.9
165.09123	11.5
169.10149	3.0
171.11757	1.8
173.09683	2.0
173.13419	0.7
181.10149	1.8
183.06535	1.1
183.11754	1.7
184.85519	0.7
185.09642	0.7
187.11247	1.8
187.14864	1.3
190.84026	0.8
191.10687	1.6
195.11627	1.8
197.13307	2.1
199.14842	1.8
201.07536	0.8
203.10710	1.2
207.57133	0.7
208.12607	0.8
209.13278	2.5
211.14850	1.4
213.12712	1.5
215.14400	3.9
221.11562	4.5
227.14468	1.2
227.17931	1.8
237.16402	4.9
239.14325	0.9
239.17970	9.3
243.13797	1.1
247.14859	1.5
249.16652	1.1
255.17430	8.3
257.19058	2.6
261.14914	7.2
265.15958	3.9
273.18622	3.1
283.16946	13.9
285.14761	0.8
285.18277	0.7
287.16461	0.7
299.16434	1.2
301.17984	11.5
311.16470	8.3
319.19040	11.6
325.12582	11.6
329.17444	9.0
337.20096	8.6
347.18515	16.8
365.19608	17.0
383.16794	100.0
383.20474	4.6
384.16934	2.0
409.03558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01852	1.9
55.05504	4.0
57.03434	1.3
57.07063	0.9
65.03931	1.5
67.05505	4.6
69.03430	8.8
69.07061	2.6
69.47694	3.2
69.48132	3.0
79.05499	7.0
81.03416	1.9
81.07061	10.9
83.04971	3.9
83.08603	1.3
85.02909	4.8
91.05482	15.0
93.07034	9.7
95.04958	3.7
95.08614	5.3
97.02862	1.3
97.06504	1.1
103.05473	1.1
105.07040	12.7
107.04935	1.2
107.08598	6.4
109.06528	3.0
109.10158	3.7
111.08063	1.1
117.07027	2.3
119.04926	2.6
119.08593	27.6
121.10126	3.8
123.08049	2.0
127.03865	0.9
127.11166	1.2
129.06999	1.1
131.08536	2.3
133.06502	1.6
133.10127	9.9
135.08054	2.4
135.11690	2.1
137.06009	5.3
137.09645	4.3
142.07718	1.0
143.08566	1.5
145.10075	2.7
147.08035	8.7
147.11678	2.4
149.09608	1.7
151.07530	2.0
157.10156	2.4
159.11707	2.5
161.09596	4.4
161.13263	7.2
163.07594	1.0
167.58955	1.1
170.10947	1.6
173.09566	0.8
175.11200	2.0
175.14844	3.2
185.13205	2.1
203.14340	7.7
216.83669	1.0
221.15375	100.0
222.15785	1.6
229.07416	0.9
238.27660	1.0
245.34137	0.8
275.13654	1.1
324.39456	0.9
355.84387	0.9
382.79074	1.0
383.11670	2.3
383.16550	2.0
383.20850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88969	2.4
53.03941	10.2
55.01863	4.3
55.05517	40.8
56.96556	3.2
57.03433	9.8
57.07076	5.4
57.66472	2.4
59.04994	3.0
61.02931	12.6
65.03921	4.3
66.58152	2.1
67.05505	17.8
69.03432	55.5
69.07072	11.6
70.06598	2.5
71.04992	8.9
71.09676	4.5
73.02922	6.6
79.05491	14.2
81.03424	21.6
81.07058	34.0
83.04986	23.7
85.02909	67.8
87.04462	9.8
89.06039	3.7
91.03946	5.7
91.05471	24.4
93.07051	21.7
95.04959	16.6
95.08611	14.0
97.02896	27.0
97.06533	7.9
98.97588	8.0
99.04448	4.5
100.11260	3.2
105.07034	29.1
107.04946	7.9
107.08600	18.9
109.02895	13.3
109.06533	15.0
109.10138	7.6
111.04478	2.4
116.98663	3.0
117.07025	5.8
119.04984	4.4
119.08588	52.5
121.02856	3.0
121.06480	5.3
121.10147	29.3
123.04338	2.8
123.08067	4.5
125.09650	3.8
127.03941	20.3
128.98576	2.9
129.14340	2.7
131.04964	3.3
131.08582	9.2
133.06448	3.4
133.10138	65.4
135.04428	7.3
135.08064	2.9
135.11705	9.0
137.05940	3.7
137.09613	5.7
139.03889	5.6
142.07745	2.6
143.08603	5.9
145.04950	10.8
145.10107	13.8
147.04425	6.7
147.08054	57.5
147.11707	9.5
151.11212	5.1
155.08551	3.9
157.10136	5.1
159.11702	11.3
161.09641	15.6
161.13263	88.3
165.09171	17.9
170.10861	5.6
173.09650	3.5
173.13191	4.4
175.11261	2.6
175.14839	33.5
177.05475	3.0
185.13293	11.5
188.11984	5.8
191.14305	6.4
203.14316	100.0
207.14073	3.2
221.08075	3.9
221.15372	88.6
261.15143	3.0
311.05551	3.6
323.12833	3.4
383.11060	5.7
383.16040	12.4
383.20667	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	383.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
59.95609	0.3
60.04508	0.3
61.31437	0.3
62.70109	0.3
69.03433	0.5
71.08696	0.7
76.43184	0.4
81.03436	0.6
85.02892	1.0
97.02901	0.5
98.97597	0.6
101.06049	0.5
122.84954	0.3
136.06195	1.8
137.06552	0.8
183.77937	0.4
186.08788	0.4
202.10947	0.4
203.11180	0.5
220.11942	0.7
221.07867	1.1
221.12216	1.3
236.31601	0.3
239.04092	0.7
301.10742	0.3
323.06079	3.0
364.02536	0.4
380.22220	0.3
383.13141	100.0
384.13394	1.2
385.32623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.06286	0.4
58.83984	0.5
64.73390	0.5
67.05508	2.3
67.23765	0.4
69.03397	0.7
69.07076	0.6
71.11159	0.9
73.87504	0.4
79.05496	3.0
81.03418	0.8
81.07062	5.1
83.04991	0.8
85.02914	0.9
85.06558	0.8
91.05481	3.4
93.07044	5.9
95.04958	2.0
95.08617	3.2
97.06528	0.6
98.97626	0.7
101.06027	0.7
105.07030	7.1
107.04951	1.5
107.08601	5.5
109.06535	1.5
109.10166	7.9
110.29141	0.5
111.08060	1.0
117.07030	1.2
119.04967	1.1
119.08590	5.6
121.02877	3.8
121.06503	1.0
121.10152	2.4
122.06004	0.5
123.08038	0.6
125.09592	0.7
127.03943	0.5
129.06996	1.1
131.08577	3.4
131.21758	0.4
131.23056	0.4
133.06454	1.0
133.10123	1.2
135.08087	4.7
135.11681	1.2
137.06027	0.4
137.09605	1.7
139.03964	0.5
139.07561	0.5
143.08595	2.0
145.10146	2.9
147.07990	0.9
147.11729	2.4
149.09601	1.3
153.09134	5.9
155.07054	1.7
155.08536	1.4
157.10143	2.0
159.08080	0.8
159.11708	2.2
161.09654	0.9
163.07483	0.6
163.11188	0.9
165.09123	8.1
167.08421	0.5
167.10756	0.5
169.08827	0.6
169.10088	3.0
171.11646	1.6
173.09651	0.8
181.10110	1.0
183.06490	0.5
183.11723	1.2
185.09589	0.7
185.13214	0.7
187.11099	0.9
191.10657	1.1
195.11702	2.2
197.13268	1.7
199.14825	1.1
201.07539	0.5
203.10509	1.1
203.14342	0.5
209.13274	0.8
211.14925	0.7
213.12759	0.7
215.14302	3.2
221.11557	6.1
227.14311	0.7
227.17880	1.0
232.12650	0.5
237.16423	2.6
239.17953	5.7
243.13838	1.3
255.17497	5.2
257.19016	2.1
261.14948	3.8
265.15836	3.2
273.18521	1.4
283.16913	8.7
293.15765	0.5
301.17972	6.9
311.16428	6.4
319.19122	7.1
325.12537	5.4
329.17499	6.0
337.20074	5.8
347.18591	10.5
349.06424	0.6
365.19620	11.7
383.16794	100.0
384.17670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.4
56.96564	6.4
59.40573	0.3
69.40826	1.1
69.41259	1.4
71.95270	2.4
73.74496	0.3
83.10996	0.3
89.24764	0.3
98.97582	100.0
116.98620	44.7
129.74812	0.3
134.99649	12.0
140.00211	1.1
153.00743	1.0
158.01285	0.4
174.97566	0.5
177.00981	0.4
181.97333	0.4
192.98752	0.4
216.95358	0.3
216.98759	1.9
217.98973	0.3
234.99826	1.5
236.00011	0.6
240.98668	6.6
257.96881	0.5
258.99765	74.2
259.99957	2.0
261.03094	0.9
274.97601	0.8
275.97714	0.7
277.00818	79.1
278.00931	2.0
279.01044	0.4
281.96677	0.4
282.01251	1.5
282.99933	1.8
284.99820	0.4
295.01770	0.5
298.97748	0.7
299.98004	1.5
300.02374	1.8
301.01025	1.3
303.00745	0.6
316.98886	0.7
317.98950	2.4
319.60159	0.3
335.48593	0.3
340.98962	0.5
341.98953	1.3
358.99811	0.6
359.99951	2.7
360.99246	0.6
378.17920	0.4
382.99835	2.7
401.01151	7.8
401.06351	0.6
402.01208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01852	0.8
57.07058	1.7
59.04995	2.4
59.93637	0.6
61.02924	1.4
66.00530	0.7
67.05490	1.7
69.03420	1.5
69.07068	2.3
70.02935	1.9
71.04978	0.6
71.23324	1.1
71.23665	1.0
72.04159	0.9
72.04521	7.4
73.02908	2.3
74.02460	0.6
81.03446	0.9
85.02917	4.7
85.06554	4.9
86.09728	0.7
87.08097	0.8
90.05560	52.4
92.27880	0.6
95.04972	3.0
96.08159	0.7
97.02876	1.5
98.02419	9.9
98.97601	1.5
100.03988	1.4
103.07584	2.8
113.06006	2.1
116.03461	7.1
124.07603	8.2
128.98616	0.7
142.08615	3.4
147.42995	0.6
166.08618	1.2
167.87291	0.8
184.09698	11.3
185.11722	0.7
202.10768	18.1
202.81308	0.7
220.11813	100.0
221.12283	1.0
254.56227	0.6
383.09338	1.6
383.13626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.01870	5.1
55.05498	5.8
56.96559	2.2
57.03432	3.4
59.05000	1.3
60.04531	9.1
61.02917	3.2
67.05515	5.7
67.29766	1.2
69.03423	8.0
69.07071	9.5
70.06596	1.5
70.88706	2.4
71.04991	13.4
73.02909	5.1
79.05505	9.7
81.03416	5.4
81.07052	10.1
83.04977	6.4
85.02904	19.9
85.06545	4.9
86.09692	2.3
87.04466	9.7
87.47182	1.1
91.03959	4.6
91.05479	4.3
93.07042	11.9
95.04947	3.7
95.08600	7.4
97.02892	10.5
97.06533	14.1
97.10172	1.2
98.97588	4.7
99.04437	3.8
101.06000	1.7
105.07030	3.2
107.04985	1.2
107.08598	28.4
109.02869	3.1
109.06525	2.3
109.10175	3.0
110.97580	1.6
111.04440	3.2
113.06006	32.8
115.03944	4.2
115.07579	1.3
119.08603	2.8
121.02889	1.5
121.06546	1.1
121.10136	25.7
123.08076	3.8
125.05994	11.3
125.09629	31.2
127.03945	9.7
127.07584	2.0
131.08553	8.2
136.07722	1.3
137.09569	1.9
139.11185	16.8
141.05518	2.0
141.09077	1.2
145.04956	6.3
147.04410	1.9
149.09622	16.6
153.12755	1.4
155.10651	3.3
157.12233	2.4
167.06924	1.4
167.10675	48.9
185.11731	86.3
203.12785	100.0
217.07074	1.8
219.01930	1.1
220.11922	1.7
235.08138	1.2
265.62912	1.2
268.73370	1.1
285.09766	2.8
346.25766	1.5
364.26785	3.2
382.11545	2.6
382.15732	8.4
382.27997	9.8
383.13510	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	381.2637
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
52.88158	0.9
53.03950	1.2
55.01873	1.5
55.05510	13.1
56.96571	1.8
57.03432	1.8
57.07075	10.9
61.02916	1.2
63.59659	0.8
67.01863	1.9
67.05502	9.0
68.99799	1.7
69.03435	2.8
69.07072	19.8
71.04969	1.2
71.08636	8.4
79.05494	5.9
81.03417	2.6
81.07059	17.5
83.04973	2.4
83.08620	12.7
84.85709	0.7
85.02892	1.1
85.06535	1.7
85.10197	4.4
91.05477	3.2
93.07047	9.5
95.04977	1.4
95.08604	13.0
97.02925	1.0
97.06545	7.0
97.10181	10.8
98.20641	1.4
99.04457	1.0
99.08112	1.1
101.06019	1.0
105.07021	1.6
107.08595	7.0
109.02859	1.1
109.10160	6.9
111.04449	1.0
111.08079	5.6
111.11728	2.8
115.07565	1.5
119.04942	1.1
119.08597	0.9
121.10143	10.3
123.04440	4.2
123.11696	4.8
125.09621	4.8
126.41008	0.8
127.03920	100.0
129.09099	0.9
131.08569	1.6
133.10109	1.3
135.08044	1.0
135.11699	7.0
137.05984	3.9
137.13249	1.8
139.03909	22.4
139.11174	4.4
143.08621	0.8
143.10625	1.3
145.10120	1.1
147.11719	1.2
149.01198	1.2
149.13278	8.4
151.03908	0.9
153.01833	83.9
153.05440	1.9
153.12750	5.5
155.03360	9.3
157.12242	1.8
159.11729	0.9
162.65491	0.8
163.03944	1.7
163.14832	4.4
165.05515	5.3
167.14310	2.6
171.02998	1.0
171.13864	1.1
177.16417	1.8
181.04994	1.9
181.15881	3.1
195.17555	1.3
219.21098	11.9
237.22177	10.1
252.26968	1.0
255.23317	1.5
268.82956	0.9
269.10565	1.5
269.17688	0.9
287.11646	1.0
331.15720	1.4
349.16980	1.4
354.05276	1.0
360.18011	1.1
360.68192	1.2
363.25330	7.9
381.24121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89479	0.7
55.05482	0.8
55.63382	0.7
56.96306	1.2
56.96568	16.4
57.06162	0.6
67.05482	1.9
69.03423	1.2
69.07058	1.7
70.21811	1.7
70.22197	1.0
71.04982	0.8
71.95252	2.3
73.30860	0.6
79.05486	4.2
81.03410	1.3
81.07063	5.2
83.04967	0.7
84.96021	1.0
85.02888	0.8
91.05471	2.3
93.07049	2.0
95.04957	0.7
95.08605	1.9
97.06526	1.6
97.96828	1.4
98.21464	0.8
98.97567	2.7
104.77625	0.7
105.07011	3.0
107.08570	1.6
109.06551	0.8
109.10180	0.7
110.97552	4.2
116.98582	1.1
119.08579	0.8
121.02843	0.8
121.10116	2.0
123.04439	0.7
125.06002	1.0
125.94341	0.8
128.98631	3.3
131.00153	0.7
133.06477	2.0
133.10139	2.0
143.00133	1.2
145.10098	1.0
146.99637	2.6
147.11678	0.8
149.01241	0.8
155.03770	1.0
158.96716	0.7
161.01198	1.1
171.03203	1.5
176.23526	0.7
181.05304	1.0
183.06801	0.8
185.04819	2.1
189.04301	0.9
197.04726	0.9
199.06381	3.8
201.07948	0.8
203.05956	1.9
205.07472	1.2
211.02760	1.6
211.06317	4.3
213.07889	1.9
214.05151	1.0
215.05869	0.8
217.07492	4.7
219.08943	0.7
225.04295	1.5
225.07951	1.7
229.07489	23.6
231.09053	1.9
237.08066	0.9
239.05876	1.2
239.09630	2.0
240.67213	0.7
243.09077	2.6
247.08519	15.6
251.09489	2.2
252.09167	3.6
253.11110	2.1
255.09067	3.7
257.10461	1.3
265.11075	5.1
267.09033	1.6
268.09912	3.0
269.10623	4.8
273.09995	1.4
279.08887	1.4
281.10562	0.8
283.12158	15.7
286.10956	1.3
287.11545	1.5
301.13083	3.4
306.13632	1.2
311.11713	1.7
313.14600	1.3
329.12827	1.5
331.15750	6.0
333.17358	3.6
345.17123	0.9
349.16849	6.3
351.18362	1.0
363.18332	1.6
372.18555	1.0
381.19440	100.0
381.25995	61.4
382.19568	2.0
382.26334	1.3
399.20532	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	381.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93729	0.4
55.05503	0.7
56.96568	16.5
67.05508	1.6
69.03434	0.5
69.07073	1.2
71.95284	2.9
72.96039	1.0
79.05493	2.7
81.07056	3.5
84.96026	1.3
85.02908	0.6
87.78313	0.4
91.03955	0.5
91.04982	0.5
91.05460	2.4
93.07051	1.3
95.04987	1.4
95.08617	1.8
97.02897	0.9
97.06519	0.4
97.96833	1.8
98.21526	1.1
98.97602	2.5
105.00134	0.5
105.03393	0.6
105.07070	0.8
107.04936	0.9
107.08588	2.1
109.10170	0.9
110.97557	6.5
113.53323	0.5
115.97820	0.7
116.98625	0.7
119.08603	0.8
121.10126	0.9
124.99149	0.5
128.98613	6.6
129.02246	0.4
131.00166	0.7
133.06529	1.3
133.10124	0.5
137.02754	0.5
141.02235	0.7
143.00154	1.4
146.99640	3.3
147.03214	0.5
155.03801	0.8
159.03241	0.5
159.11694	0.6
161.01227	1.8
165.02371	0.6
165.61491	0.5
167.03897	0.6
169.05414	0.5
171.03278	1.1
173.04874	0.9
181.10066	0.6
183.03380	0.6
183.06920	0.5
185.04871	1.9
189.04333	0.7
193.01740	1.3
195.06979	0.7
197.04912	1.3
198.01933	0.5
198.05637	0.5
199.06425	4.8
201.04327	0.6
201.07953	0.8
202.05177	0.5
203.05916	1.9
205.07431	1.0
207.03323	1.1
211.02811	2.8
211.06386	2.8
213.07962	2.2
214.05141	1.8
215.05922	0.9
217.07408	3.7
221.05051	0.6
223.02820	0.7
223.08443	0.6
225.04395	1.3
225.07970	3.0
229.07500	17.5
231.09042	2.1
232.06390	0.7
235.09917	0.7
237.08156	0.9
239.05899	0.6
239.09595	2.0
240.06659	0.7
242.08113	0.6
243.09119	1.8
247.08583	9.1
248.09299	0.5
249.07980	0.7
250.08681	0.6
251.09532	2.6
252.09102	2.1
253.11235	1.9
255.09064	4.6
257.10583	1.1
263.09647	0.8
265.11096	5.7
267.08951	0.8
268.09860	3.7
269.10608	4.9
270.10236	0.7
271.12228	1.1
273.10031	1.9
279.09079	1.9
280.09677	0.8
281.10596	0.7
283.12167	19.3
284.12613	0.5
286.10855	1.5
287.11694	1.3
291.11618	0.5
292.12204	0.7
293.10892	0.6
297.09988	0.9
299.11707	0.5
301.13290	4.5
306.13797	2.8
307.56265	0.4
311.11658	2.2
313.14761	0.7
315.16354	2.1
324.14658	0.5
329.12811	1.9
331.15808	6.8
333.17520	2.5
333.23099	1.1
349.16858	7.3
351.18466	1.7
351.23822	0.8
352.14185	0.5
353.97952	0.5
363.18399	1.7
367.18085	0.6
372.18484	0.8
381.19507	100.0
381.26077	61.9
382.19684	1.6
382.26309	0.9
399.20639	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	381.131
Annotation	Robustic acid
Peak:m/z	Relative Intensity
50.17731	0.9
53.03958	0.8
55.05519	1.5
55.23864	0.8
56.96560	1.8
63.42091	0.8
64.35203	0.9
67.05489	3.0
69.03410	2.9
69.44147	0.9
70.18110	2.4
70.18453	0.9
71.04975	1.7
79.05482	2.3
81.03410	2.3
81.07041	4.1
83.08586	1.0
85.02894	4.0
85.06522	1.7
86.09710	1.1
87.04430	1.1
91.05490	2.6
93.07038	3.4
95.04937	1.1
95.08595	2.4
97.02878	2.0
98.21454	1.1
98.97568	3.9
99.04433	1.6
102.96893	1.1
105.03392	1.8
105.07008	2.1
107.04964	1.2
107.08610	5.0
109.02879	0.9
109.10131	2.6
116.98609	1.1
117.03755	1.2
123.11707	0.9
127.03848	1.2
133.10139	1.7
135.04745	8.9
135.11737	1.1
145.10118	1.2
148.76448	0.9
153.02211	2.7
158.99567	1.2
161.05844	1.1
171.03365	1.6
184.14188	1.8
191.06494	1.3
208.98198	0.9
214.08493	1.1
215.11227	1.3
219.01826	1.5
219.10138	2.0
221.04796	2.2
223.87889	1.0
237.08043	3.5
239.05943	1.7
255.09048	1.5
261.08011	1.3
267.46909	0.9
268.86481	0.9
277.85410	0.9
279.09079	1.4
292.99158	0.8
293.11844	1.2
297.09976	2.1
377.01981	1.2
381.13052	100.0
382.13477	2.2
393.20239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	0.6
56.96584	0.5
57.03427	0.6
58.49921	0.5
61.02928	0.5
67.05470	0.6
69.03418	1.1
69.72136	1.2
69.72547	1.5
71.04992	1.0
79.05495	1.1
81.03428	0.7
81.07061	1.1
83.04961	0.8
85.02910	1.7
91.05470	1.6
93.07049	0.8
95.08633	1.2
97.02923	0.9
97.06570	0.9
98.97584	1.9
105.07047	0.7
107.08587	0.8
109.02894	0.6
110.02552	0.4
116.07182	0.5
123.08106	0.7
125.25172	0.5
125.73703	0.5
127.03915	1.0
131.08598	0.6
138.85196	0.4
151.07570	0.5
155.10677	0.6
158.99686	0.6
163.08682	2.1
166.05096	0.7
169.08635	1.5
170.08997	1.6
183.13817	0.7
184.10466	0.7
187.08664	2.2
188.07059	0.8
191.08159	2.4
200.07018	0.6
201.11337	0.8
201.14885	0.8
202.11600	0.8
203.08334	0.5
203.10480	0.8
205.09711	0.9
211.08698	2.5
215.08145	3.2
219.01672	0.7
219.07913	0.5
219.09901	4.7
229.06113	0.5
229.09712	0.7
233.09251	3.9
234.99419	0.5
239.08159	3.8
243.07637	1.1
244.08466	1.4
245.09245	0.6
251.10365	0.7
257.09204	9.6
261.08734	1.3
279.09787	0.7
285.08780	0.8
289.07944	0.5
303.09766	4.9
307.09378	0.7
321.10913	1.3
331.09311	1.1
339.11856	2.3
349.10446	3.5
363.11923	2.2
364.10077	1.0
381.15472	100.0
382.15549	1.5
385.50226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	1.0
56.96571	16.6
58.96784	0.5
67.05489	1.2
68.11749	0.5
69.03445	0.9
69.07063	0.9
69.80817	2.8
70.98103	0.7
71.04980	0.6
71.95264	2.8
72.96046	0.7
74.97626	0.8
79.05488	4.3
81.03424	0.8
81.07060	4.9
83.04988	1.0
84.96046	0.9
85.02921	0.7
91.05476	1.3
93.07017	0.9
95.08607	1.2
97.96821	1.2
98.97601	2.6
105.03392	0.7
105.07045	1.4
107.04988	0.6
107.08609	1.6
108.09406	0.7
109.10142	0.7
110.97555	5.4
115.97859	1.3
116.98591	1.0
119.08639	1.2
121.10149	0.7
128.98625	5.2
131.00203	0.7
131.08511	0.8
133.06465	0.9
135.11754	0.9
143.00191	2.0
146.99672	2.3
153.02322	1.0
155.03769	0.8
161.01207	1.2
161.64580	0.7
169.01790	0.7
171.03288	1.2
173.04875	0.8
181.05350	0.8
185.01231	0.8
185.04858	2.6
189.04376	1.0
191.05817	0.8
197.04897	1.2
199.06403	6.2
201.08005	1.2
203.05931	1.7
205.07466	1.7
207.01610	0.7
209.04999	0.9
211.02751	1.8
211.06459	2.4
213.08018	2.5
214.05130	1.3
215.05969	0.7
217.07481	5.2
219.09166	0.9
221.08600	0.7
223.06337	0.6
223.08308	0.7
225.04391	1.6
225.07971	1.7
227.05995	0.9
229.07492	23.5
231.09021	2.0
237.08046	1.2
239.05946	0.7
239.09625	1.6
243.09116	2.5
247.08556	13.3
251.09607	2.6
252.09074	1.4
253.07246	0.7
253.11339	2.9
255.09071	5.0
257.10495	1.8
258.21301	0.6
265.11154	5.9
267.09030	0.9
268.09833	3.6
269.10660	5.5
270.10114	0.6
271.12198	1.2
273.10141	2.2
279.09061	1.3
280.09946	1.2
281.10629	1.0
283.12177	16.8
286.10944	1.5
287.11566	1.8
289.31180	0.6
291.25293	0.7
292.12463	0.8
293.10718	0.9
297.10226	1.1
299.11853	0.8
301.13095	4.9
306.13763	1.7
311.11603	2.2
313.14587	0.7
315.16269	1.8
317.19479	0.7
329.12857	1.3
331.15753	6.2
333.17303	2.4
333.22961	0.8
349.16956	8.0
351.18454	1.5
351.23685	1.0
352.95267	0.6
363.18469	1.6
372.18356	0.7
374.43069	0.7
381.19492	100.0
381.26056	57.9
382.19907	1.2
399.20563	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	381.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01729	1.2
57.07064	1.8
67.05509	2.2
69.03416	3.3
69.48242	5.4
69.48650	2.8
71.04988	2.4
72.18370	1.1
74.06081	3.5
79.05470	2.9
81.03429	1.5
81.07035	4.1
83.04978	2.2
85.02903	4.8
85.06524	1.1
91.05472	8.4
93.07043	4.0
93.94688	1.0
95.08591	3.3
97.02886	1.8
97.06509	1.7
98.97591	2.0
105.07022	2.2
107.08616	2.9
109.10168	2.7
110.79772	1.2
118.24718	1.1
119.08578	3.9
120.06564	1.9
123.08062	1.5
127.03899	1.3
131.08582	1.6
133.10123	1.4
135.11671	1.9
137.09602	1.7
138.05518	2.5
145.10107	2.3
146.06105	1.3
150.77611	1.1
162.07906	1.8
163.08688	13.7
166.04984	3.0
169.08656	1.6
170.08969	2.7
174.05441	1.5
176.07063	2.3
183.09149	1.7
184.10440	1.2
187.08678	6.4
191.08176	14.3
198.05455	1.1
199.08922	1.5
200.07169	2.6
201.06607	1.9
201.10246	1.7
202.05183	1.2
202.07336	1.4
203.10396	2.5
205.09763	5.3
211.08659	10.2
214.08774	1.4
215.06207	2.0
215.08145	14.7
217.09589	1.9
218.08109	1.1
219.07649	4.0
219.09941	6.0
225.16394	2.1
226.07512	1.3
229.06117	4.2
229.09715	2.1
233.09232	21.8
239.08179	22.6
242.06697	1.5
242.08281	1.8
243.07648	5.2
243.17554	1.9
244.08389	9.6
245.09192	3.6
247.07106	1.9
251.10280	3.5
257.06500	2.7
257.09222	55.2
258.06348	1.2
261.08771	8.0
271.07214	1.5
271.16956	2.8
279.09698	3.5
285.08670	3.5
287.10214	2.8
288.25098	1.3
289.08237	2.9
289.17947	3.4
293.11343	4.3
303.06601	2.3
303.09799	33.3
305.11298	2.2
307.09244	5.3
313.08423	1.4
317.17670	6.2
319.81430	1.5
321.10864	8.5
331.09259	6.7
339.11917	14.4
345.10764	1.9
345.16748	3.6
349.10284	26.8
359.10071	1.9
363.11859	5.5
364.10242	8.4
372.11447	1.3
381.15039	100.0
382.15469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
55.01861	1.1
55.05512	1.8
55.35995	0.9
61.02910	1.0
62.06090	1.0
67.05490	2.0
69.03413	1.8
69.07069	1.6
69.89306	0.8
71.01347	1.1
71.04993	2.6
71.14923	1.7
79.05486	2.6
81.03417	1.3
81.07056	3.5
83.04985	1.9
85.02898	2.9
85.06557	1.2
91.05511	1.9
93.07041	2.5
95.04956	1.1
95.08613	2.8
97.02878	2.6
97.06549	1.0
98.97556	3.6
105.07050	1.6
107.08607	2.7
109.06529	1.9
113.66341	1.0
121.06493	1.4
121.10146	1.9
123.08080	1.2
124.03951	1.3
127.03924	1.5
133.10149	1.6
138.05437	1.3
145.02858	1.2
145.04918	1.1
147.11740	1.2
159.09171	1.2
163.08673	12.8
166.04984	2.1
172.07590	1.2
174.05501	1.7
176.07074	1.5
183.09161	2.4
186.07874	1.1
187.08694	8.0
188.07095	1.3
191.08189	18.1
199.08710	1.3
200.07138	1.6
201.06573	2.3
205.09766	5.8
211.08672	11.0
212.05722	1.3
213.10226	1.6
215.08157	16.6
216.06575	2.0
217.09767	1.0
218.08130	1.0
219.06558	8.7
219.09831	1.3
219.17856	2.0
225.06497	1.6
229.06071	5.8
229.09752	3.5
233.09215	19.8
237.08728	1.7
239.08148	25.7
241.09732	2.7
242.06804	1.3
243.07660	7.1
244.06140	1.9
244.08385	9.8
245.09178	2.3
251.10329	4.4
252.11383	1.1
253.71432	1.1
257.09216	48.5
258.06412	4.4
258.09735	1.2
259.10944	1.9
261.08740	9.4
267.07642	8.4
269.09079	1.5
271.07092	3.1
279.09756	4.1
285.08746	7.5
287.10339	2.3
289.08240	5.0
293.11557	5.8
295.07092	1.4
303.09756	24.1
307.09253	4.0
313.08191	5.4
321.10858	9.6
331.09256	12.4
339.11880	11.4
345.10669	1.0
349.10318	32.1
350.10413	1.3
363.11945	4.9
364.10254	9.8
381.12555	100.0
382.12796	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80593	0.4
59.94602	0.3
66.23205	0.3
69.42058	0.4
69.65160	0.4
69.90024	1.4
81.25928	0.3
83.63173	0.4
85.25121	0.4
112.22688	0.3
123.03309	0.3
128.09604	0.4
192.89679	0.4
201.01607	3.2
219.02733	2.7
261.02954	0.4
381.07953	100.0
382.08438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55939	2.0
70.92409	2.1
71.40860	3.8
75.69798	1.9
84.95228	2.4
85.85101	1.9
85.85622	1.9
92.55846	2.1
219.02571	3.6
284.67130	2.5
381.07941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
57.07080	7.6
69.03439	3.3
70.79970	1.1
71.04992	0.5
72.30541	0.4
81.03416	1.1
85.02917	1.9
85.06551	2.1
88.22689	0.4
95.77962	0.4
97.02898	1.0
98.97589	0.7
99.04447	1.5
100.25634	0.4
101.18274	0.4
107.98794	0.4
109.02827	0.6
117.05528	0.6
119.08546	0.6
121.02876	0.5
127.03902	1.4
145.04953	0.8
185.04257	1.5
219.06322	1.2
229.10783	0.8
237.05963	0.4
255.74750	0.4
363.12085	0.4
363.16281	0.8
381.11508	100.0
382.11676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01866	3.2
55.05492	5.8
56.96561	7.1
57.03431	9.4
57.07082	2.9
63.12563	2.1
66.83563	2.0
67.05508	12.5
69.03420	9.9
69.07060	8.9
70.06590	4.2
71.04997	50.0
71.54377	2.7
72.08154	3.2
73.02903	3.1
73.06542	3.0
79.05490	19.0
81.03402	6.5
81.07059	25.1
83.04977	5.9
83.08588	3.8
85.02911	30.4
85.06540	11.3
86.09738	2.6
91.05479	14.6
93.06486	3.0
93.07044	42.9
95.04967	3.6
95.08621	20.4
97.02898	11.5
97.06514	12.0
98.97591	22.9
99.04478	4.3
99.08089	4.6
101.06039	2.6
103.03928	6.9
105.07030	17.2
107.04960	12.5
107.08611	30.4
108.08954	4.9
109.02873	7.1
109.06508	6.2
109.10155	8.4
111.08083	14.5
113.06034	3.2
116.07077	3.4
116.98627	8.6
117.05516	2.6
119.08576	9.3
120.08118	3.7
121.06500	6.8
121.10139	10.5
123.08096	5.9
123.11730	5.8
124.03987	3.4
125.09653	4.9
127.03892	7.4
127.07585	3.2
128.98593	2.9
131.08580	4.9
135.11711	23.8
137.05916	2.2
137.09621	10.8
137.13225	4.3
139.07510	8.9
141.09126	2.9
145.04912	5.3
145.10086	2.8
147.04434	5.2
147.11673	24.5
149.09659	4.1
149.13318	4.7
153.12758	8.3
158.99696	11.0
162.16466	2.3
165.09135	8.6
165.12762	100.0
167.14391	3.1
177.00684	5.8
183.10231	5.3
183.13812	44.5
184.09718	2.4
195.07951	3.2
200.04448	3.9
200.07239	2.6
201.11220	7.4
205.05368	4.0
209.11726	5.9
209.57144	2.4
215.08098	3.9
219.01941	3.8
223.06390	4.1
239.08008	5.7
243.07735	5.6
245.09869	3.5
257.09293	5.6
265.07547	10.1
267.07648	23.6
276.10406	6.4
283.08569	20.4
285.08701	20.1
287.09891	4.0
289.08139	3.3
289.11557	2.5
290.12741	7.8
293.41034	2.3
303.09949	2.5
307.08575	10.1
311.11292	2.6
313.08252	18.8
321.10876	3.6
321.14368	5.5
323.88577	2.3
325.09875	4.1
330.52094	2.4
331.09271	25.3
349.13837	5.5
363.11734	3.0
367.10709	4.6
381.05643	2.8
381.12585	6.8
381.17029	11.7
396.98572	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	380.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92704	1.6
55.01870	2.4
55.05508	3.4
55.20362	1.4
56.96552	2.5
57.07067	2.2
58.70910	1.5
59.04996	5.8
61.02919	6.2
67.05495	6.1
69.03416	5.8
69.07059	4.1
70.06560	1.5
71.04985	5.3
74.06082	1.4
79.05507	7.7
81.03425	3.7
81.07054	15.2
83.01338	1.6
83.08613	6.1
85.02909	14.6
85.06554	22.4
91.05492	7.8
93.07047	11.2
95.04980	3.3
95.08610	12.1
95.60428	1.7
97.02894	6.7
97.06543	9.5
98.97594	8.5
99.04439	2.1
99.08105	2.3
101.06042	2.5
103.05475	1.7
105.07035	10.3
107.04974	2.0
107.08604	68.4
107.52727	1.5
109.02874	3.9
109.06532	8.1
109.10162	4.4
111.04423	1.8
111.08054	1.8
113.06038	3.4
116.98633	2.2
119.08573	5.7
120.08100	2.7
121.09312	3.0
121.10144	35.4
123.08083	9.4
123.11714	31.1
125.09638	38.2
127.03919	4.9
128.98610	1.6
133.10138	4.8
135.11722	9.8
137.09630	21.5
145.04947	3.5
146.06036	5.2
147.11699	39.4
149.09462	1.8
151.11232	2.3
152.05664	2.7
157.08688	2.4
158.99655	4.2
165.12766	72.0
166.13068	1.7
174.05470	7.1
177.00768	2.1
183.13821	100.0
201.14886	52.4
214.08582	9.4
219.01756	2.6
227.72179	1.5
234.60014	1.7
237.02785	2.3
283.08670	1.4
283.11896	3.5
287.11423	1.6
299.15369	2.5
318.09818	3.0
371.13840	2.1
380.08463	3.6
380.17511	3.1
389.14694	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	380.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02417	0.3
53.03952	1.1
57.03445	1.0
69.03432	4.1
69.39776	1.1
69.40195	1.8
71.05003	1.2
73.02921	1.3
81.03424	4.6
85.02911	8.9
87.04474	1.1
97.02898	8.7
99.04452	1.6
100.03268	0.4
102.52379	0.4
107.04941	0.4
109.02880	4.0
127.03924	6.4
128.04956	11.0
146.06018	100.0
156.04443	0.9
174.05518	83.2
175.05865	0.6
198.19196	0.3
205.00732	0.5
216.06586	0.8
270.07593	1.0
282.07620	1.2
300.08679	47.0
301.09070	0.8
318.09775	7.1
377.82349	0.4
380.13422	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	380.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.12901	0.7
55.01863	3.7
56.64457	0.7
56.69918	0.6
56.96562	1.8
57.03426	1.2
60.04523	7.7
61.02916	1.3
66.83650	0.9
67.05498	2.0
69.03429	2.4
71.04995	2.8
79.05485	2.5
81.03414	1.7
81.07061	8.5
83.04987	0.7
85.02905	5.9
85.06535	0.8
87.04453	0.9
91.05471	1.3
93.07032	1.4
95.04951	2.3
95.08613	1.9
97.02892	3.9
98.97589	7.3
102.12797	1.4
105.03394	3.4
105.07030	2.4
107.04931	0.8
107.08611	2.1
109.02896	0.9
109.06510	6.4
109.10122	1.0
110.97597	1.3
111.04426	1.3
115.03937	1.0
116.98638	2.3
119.08556	2.4
121.02874	2.3
121.10141	12.9
123.04474	0.8
123.08048	1.6
123.11718	1.9
127.03924	2.1
127.07545	3.3
128.98596	1.0
135.11653	1.1
137.05980	100.0
138.06293	1.0
139.03918	1.0
145.04987	1.4
147.11707	6.9
158.99603	2.1
163.03954	1.3
165.05498	2.9
165.09091	1.8
165.12744	3.8
176.44341	0.7
177.00681	1.7
183.06537	51.7
183.10150	3.3
183.13818	10.2
191.05899	0.9
201.11266	3.0
219.01740	0.9
237.02817	1.8
252.73024	0.8
269.45370	0.8
295.66226	0.9
317.09009	1.1
324.46869	0.8
327.07025	1.4
335.10178	3.1
338.11957	1.0
344.24329	1.5
362.25391	9.4
380.08511	4.7
380.13110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23266	1.4
55.01865	4.5
55.05515	1.9
56.95115	1.5
57.03419	3.2
60.04526	13.1
67.05507	16.0
69.03429	2.9
69.07063	3.5
69.66501	3.9
69.66915	4.7
71.04994	36.1
79.05507	3.9
81.03412	3.1
81.07042	3.2
83.04984	4.3
83.08627	2.3
85.02921	16.1
85.06547	7.5
87.04464	24.4
87.29679	1.2
91.05486	16.0
93.07052	14.5
95.04974	7.5
95.08611	6.5
97.02903	3.7
97.06519	1.3
98.56889	1.3
98.97583	1.6
99.04452	6.3
101.02371	4.0
105.07030	11.0
107.08610	1.7
109.06519	3.9
109.10160	5.5
111.04440	3.1
113.06003	29.1
115.03934	11.4
119.08592	14.3
121.06499	4.0
123.08064	32.0
129.07011	3.6
135.08058	3.8
137.09616	30.1
141.05403	2.1
145.04921	3.1
147.08047	12.8
153.09160	2.0
155.10687	3.4
160.32391	1.3
165.09111	47.5
183.10164	100.0
184.10402	1.8
201.11227	81.0
208.00760	1.5
218.17554	1.8
310.22375	1.3
313.59863	1.4
325.50452	1.7
355.27109	1.3
362.25418	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01865	1.1
55.05519	1.2
58.93578	0.7
66.19961	0.9
67.05493	2.3
68.99784	2.6
69.03436	1.9
71.05002	0.9
71.49865	0.9
71.62479	0.8
73.76138	0.7
79.05491	3.0
80.13401	0.7
81.03426	3.5
81.06654	0.7
81.07065	4.4
83.04980	3.0
85.02906	5.5
87.04474	0.9
91.05450	1.6
93.07063	1.1
95.04962	1.2
95.08612	6.0
97.02893	1.7
98.97585	1.1
99.04430	1.0
105.07034	7.7
107.04967	2.0
108.98189	0.8
109.02882	27.2
109.06503	1.5
113.91190	0.7
119.08591	1.4
123.08071	8.6
127.03929	41.8
133.06509	2.3
137.09627	0.9
141.05490	3.7
151.07561	11.9
152.91336	0.8
169.08612	100.0
183.10191	4.6
196.56789	0.8
201.11226	41.3
258.62332	0.8
381.15427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94962	2.9
51.73269	3.3
55.01853	6.0
55.05503	13.3
56.96557	12.2
57.03439	5.0
57.07065	7.2
59.05003	3.0
63.92109	3.2
67.05509	34.5
69.03426	6.3
69.07069	37.2
70.66941	9.6
71.04973	12.2
71.08636	3.3
79.05489	19.8
81.06600	5.9
81.07065	100.0
83.05006	4.2
83.08595	9.8
85.02919	6.7
85.06528	13.7
91.05466	11.4
93.07045	37.9
95.08609	57.9
97.06532	7.5
98.97594	18.9
99.04397	4.4
102.23339	3.4
105.07031	13.6
107.08604	35.9
109.06477	4.4
109.10161	47.0
110.01131	3.3
110.97481	3.6
111.08060	11.9
111.11731	7.4
116.98621	6.9
119.08569	8.3
121.10178	20.3
123.11697	56.2
125.09621	7.8
127.03969	4.5
133.10143	6.6
135.11691	23.0
137.13252	24.1
139.03857	7.6
139.11200	7.6
142.43765	3.0
145.10165	5.5
147.11705	9.0
149.13275	21.9
151.14790	4.3
153.12700	3.9
155.14218	3.6
158.99649	7.5
159.11623	6.4
163.11165	5.2
163.14838	8.2
165.12704	4.4
169.12140	3.9
171.13840	3.1
183.13858	4.1
187.13409	3.3
189.14850	14.3
191.12630	3.5
225.04454	7.9
275.09653	6.9
281.10641	9.2
289.25146	9.1
293.10559	8.1
295.26343	10.9
303.10864	8.5
307.26303	18.7
311.11652	9.8
313.27170	6.5
325.27505	20.1
379.17340	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	379.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49823	0.6
55.05513	0.9
55.17443	0.6
56.96572	1.6
57.63255	0.6
66.10848	0.6
67.05505	1.4
69.03431	0.9
69.07069	1.3
71.55540	0.9
79.05460	0.9
81.03386	1.0
81.07056	1.6
85.29973	0.7
87.05853	0.6
91.05476	1.7
93.07052	2.2
95.04951	0.9
95.08600	2.0
96.07989	0.6
98.97585	1.1
101.03525	0.6
102.97176	0.7
105.07024	1.8
107.04285	0.6
107.08619	1.5
109.02885	0.9
109.10191	0.8
114.14181	0.6
117.07093	0.7
119.08609	1.8
119.44057	0.6
121.10153	1.0
131.08630	0.9
133.10152	1.1
136.54469	0.6
157.10249	0.9
190.36792	0.8
195.70969	0.6
229.07579	1.1
236.42281	0.7
349.23404	3.0
367.23001	1.1
379.24582	100.0
380.24869	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.248
Annotation	17-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
52.29267	2.0
53.03943	3.9
55.05514	40.4
57.03434	3.2
57.07079	13.7
67.05507	81.1
68.99784	5.5
69.07071	64.0
70.98524	4.4
71.08627	3.3
77.25996	2.1
79.05491	18.4
81.03429	2.8
81.07059	90.5
83.04953	2.9
83.08623	52.2
85.06544	4.2
85.10156	2.8
91.05471	7.3
93.03405	2.7
93.07047	18.0
95.04981	3.5
95.08607	100.0
97.06525	6.5
97.10168	46.3
99.08083	4.7
105.07021	5.1
105.27124	2.3
107.08597	11.6
109.02903	3.1
109.06494	3.0
109.10156	44.4
111.04433	3.6
111.08122	2.9
111.11720	24.8
119.04975	5.4
119.08578	8.2
121.10147	19.7
123.04444	28.2
123.11727	16.8
125.09625	7.3
125.13285	7.0
127.03923	60.0
133.10110	11.2
135.11693	27.6
137.05998	18.5
137.09601	5.1
137.13260	9.6
139.03909	99.5
139.11195	6.3
141.09058	3.1
147.11694	10.8
149.13237	6.9
151.03894	2.5
151.11186	9.2
151.14842	5.2
153.01842	19.4
153.12724	11.9
155.03389	22.4
157.12155	3.7
161.13255	14.3
165.05466	15.7
165.12764	8.2
171.13802	4.2
175.14813	6.2
179.14333	7.3
183.14017	3.1
193.15913	2.3
193.19556	6.3
217.19537	29.6
224.91621	2.1
235.20576	30.3
253.21632	9.2
323.58237	2.5
361.23575	17.0
379.24863	6.3
380.50470	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	379.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49027	0.3
69.53815	0.7
69.54219	1.6
81.07083	0.4
91.05485	0.4
95.08615	0.5
107.04980	0.4
113.09639	0.4
151.51379	0.3
182.65826	0.4
185.04234	3.0
198.19463	0.3
201.05344	0.9
216.07571	7.9
217.08372	8.1
246.59283	0.3
308.08548	0.6
348.11688	0.5
379.13644	100.0
380.13947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1576
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.10181	0.4
53.37269	0.3
53.77647	0.3
57.03429	0.4
62.63674	0.3
63.01492	0.3
69.03430	1.1
70.97186	0.7
77.50134	0.3
85.02890	2.0
91.05461	0.3
97.02901	1.1
98.97577	1.9
107.04957	1.1
109.02890	0.3
116.98665	0.4
127.03923	0.4
147.93275	0.4
158.99661	0.5
177.00720	0.8
183.06601	0.4
212.06192	0.6
217.10480	10.6
217.12508	0.7
219.01746	0.7
246.03828	0.3
337.07755	0.4
379.15753	100.0
380.15985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.05519	21.8
56.94172	2.4
57.03437	5.7
59.04715	5.0
59.05005	100.0
61.02919	6.1
64.54485	2.8
67.05507	4.9
69.03429	29.1
70.98171	7.0
71.05000	3.8
73.02926	2.9
81.03403	20.6
81.07059	24.6
83.04981	37.0
85.02908	46.7
93.07050	4.3
95.08618	3.5
97.02895	28.9
98.97587	6.2
99.04468	7.9
99.08097	12.1
101.06020	95.1
103.03909	2.7
105.07012	6.2
107.08639	3.8
109.02897	14.5
109.10172	3.5
111.10136	2.5
119.07053	30.7
123.04444	9.2
127.03935	35.5
137.05965	3.7
140.69444	2.9
145.04961	18.4
154.03835	5.3
187.06006	12.6
191.06978	3.4
203.10381	3.1
205.07191	5.8
209.08087	7.7
219.01782	3.1
219.09630	3.6
227.09122	15.5
228.10083	3.2
245.10187	30.3
268.53876	2.9
285.13382	16.2
289.79300	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	378.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
56.96582	2.2
58.39069	2.6
63.48912	2.4
65.96133	2.1
71.04980	10.2
71.54295	2.7
72.08160	4.0
79.05476	4.6
81.03414	5.7
81.07055	17.4
83.08596	2.8
85.02900	5.2
86.09712	3.9
91.05456	2.4
93.07059	13.1
95.08617	4.9
97.02879	3.7
98.97601	4.6
106.02916	4.0
107.08591	9.5
109.10181	3.0
120.08084	4.6
124.03944	7.3
127.03987	3.1
135.11700	16.0
139.03903	3.4
153.12753	100.0
181.12332	4.0
250.06947	2.8
286.34827	2.1
366.30917	2.3
378.11426	2.8
378.25165	3.4
386.37674	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	379.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	2.7
56.96565	33.3
61.02908	2.5
68.00570	1.4
69.03411	2.0
69.05129	1.5
69.26172	13.2
70.98105	1.4
73.02911	1.5
81.03419	2.2
84.96036	5.6
85.02888	4.2
86.80556	1.3
97.01413	1.8
97.02879	2.7
97.29451	1.5
98.20782	3.2
98.97586	81.6
101.00904	7.9
110.97562	22.8
112.99141	16.4
113.00836	2.5
113.03488	1.8
115.00697	1.5
115.02428	4.7
116.98627	19.7
119.01927	7.6
124.99098	2.9
126.67569	1.6
127.00690	7.9
127.02413	2.7
128.98602	11.2
131.00238	9.1
131.01900	4.4
133.03447	4.5
134.99622	2.2
137.06000	1.7
139.00673	38.7
139.02373	2.6
140.98613	2.6
143.00154	5.7
143.01917	25.7
145.01750	7.7
145.03474	7.0
146.99649	3.6
147.04897	1.3
149.01227	1.9
152.98607	3.2
155.01912	7.5
157.01740	100.0
157.03433	9.2
158.99667	28.1
159.00955	2.4
159.01469	1.3
159.05070	2.2
161.01395	2.4
161.02966	22.7
163.02771	2.6
163.04468	2.1
169.03517	5.2
170.96077	1.4
170.99619	7.2
171.04990	4.4
173.01563	1.4
173.02991	6.8
175.01221	2.9
175.02797	56.6
175.04385	3.8
177.00720	14.3
180.03397	1.8
181.01860	1.8
181.03497	5.1
182.99707	2.3
183.04875	1.7
185.02969	3.6
187.04500	3.7
189.00752	2.3
190.98784	2.4
193.03812	7.4
199.02802	94.9
199.04468	6.7
201.00722	10.2
203.04005	16.0
205.03683	1.5
211.02643	2.0
211.04520	2.5
217.03845	63.2
219.01772	39.5
220.02045	1.9
221.05046	14.7
223.04768	1.5
229.03754	2.4
232.96556	1.8
237.02809	28.8
241.05704	1.5
245.05092	12.8
247.06575	2.0
251.04314	2.6
257.05225	3.2
259.04547	28.4
259.06897	8.6
261.02917	2.9
263.06244	3.3
271.06683	1.7
279.03839	5.4
279.09280	1.7
281.05206	1.3
283.06546	2.3
289.05841	2.8
293.05453	2.0
298.88867	1.8
301.07599	5.6
305.07153	2.9
307.06934	3.1
319.06726	65.9
321.05020	1.7
337.08023	52.4
347.03024	1.9
361.09894	2.3
379.08810	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.28519	0.5
54.30120	0.6
55.05515	5.2
57.03420	1.0
57.07073	4.1
67.05491	1.9
67.46649	0.6
69.07049	1.8
69.42298	3.2
69.42716	1.9
69.91427	0.7
79.05486	1.9
81.03383	0.9
81.07044	3.0
83.04977	3.4
85.02891	2.4
85.06548	3.2
91.05477	1.8
93.07041	5.3
94.08493	0.7
95.08601	5.7
97.02966	1.3
97.06509	2.3
98.97596	1.1
100.11308	0.7
105.07022	2.5
107.08592	9.7
109.06512	2.0
109.10164	2.2
111.04442	51.6
111.08062	1.9
113.06001	1.0
117.07037	0.7
119.08596	0.9
121.06508	1.8
121.10150	2.3
125.05997	14.4
127.03936	0.8
127.07545	0.8
133.10124	1.3
135.08043	7.3
135.11696	11.3
137.13217	1.2
139.07515	2.4
143.10414	0.7
145.10112	9.2
146.06001	1.2
153.12746	2.9
163.11189	14.1
170.99799	0.7
181.12231	100.0
182.12602	1.0
199.13293	45.6
207.28246	0.6
222.03716	0.7
224.84946	0.7
235.16887	1.5
359.62878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03931	1.6
55.01876	10.0
55.05509	1.8
56.96547	0.8
57.03416	1.9
59.04979	1.2
61.02923	1.7
65.03923	1.1
67.05528	4.0
69.03436	8.3
69.07075	3.7
69.68139	4.0
71.04974	2.9
73.02905	2.8
73.85180	0.9
75.26754	0.8
78.03461	5.3
79.05496	4.2
80.05008	2.7
81.03422	5.5
81.07040	3.4
82.07368	1.0
83.04939	1.7
83.08607	0.9
85.02906	10.4
85.06518	1.0
89.06029	1.3
91.05453	3.5
93.07057	6.9
95.04994	6.0
95.08607	9.5
96.04479	3.5
97.02871	2.9
97.06546	6.1
98.97598	5.1
99.04452	1.6
105.07038	5.9
106.02226	1.5
106.02917	24.4
107.04954	2.1
107.08575	3.1
109.02846	3.5
109.06536	1.3
109.10161	3.6
111.04437	1.4
111.08084	6.9
113.01369	0.8
116.98590	1.4
117.07014	0.9
119.08530	1.1
121.10162	8.6
123.04469	1.0
123.08090	10.9
124.03962	69.9
125.04272	1.2
127.03918	3.8
127.11163	3.3
133.10066	1.7
135.07996	0.9
135.11697	1.7
136.05209	1.1
137.05940	2.8
138.06750	1.9
139.11180	24.1
141.09094	5.1
145.04930	1.5
145.10094	2.2
148.05200	11.6
149.09624	1.0
151.11121	1.1
163.11192	3.0
165.05696	0.8
169.12218	4.3
181.08609	100.0
181.12160	12.3
182.08855	1.2
199.13309	13.4
223.06467	1.0
228.75291	0.8
243.08759	3.4
250.07162	7.5
268.08130	5.0
288.12994	0.9
291.33270	0.8
292.37686	1.0
297.13580	1.3
297.63434	0.8
303.08328	1.1
326.17505	0.8
332.11450	0.9
378.11761	30.2
379.09818	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	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62047	0.7
50.83501	0.6
51.25663	0.6
53.03951	0.7
56.96563	1.6
57.47460	0.6
69.03433	2.1
70.36173	1.0
70.36528	1.6
72.08148	0.7
75.06681	0.6
79.05513	0.8
81.03412	1.4
85.02509	0.6
85.02922	6.5
92.05009	1.6
93.07046	0.6
94.04218	1.1
95.04973	1.1
97.02899	2.4
98.97610	3.0
105.03378	0.7
107.04967	4.4
109.02890	1.0
110.02731	2.0
110.06028	3.2
112.69991	0.6
116.98627	1.5
119.04960	0.6
122.03644	1.9
123.04430	1.3
127.03918	1.5
131.04933	1.0
135.04433	1.0
137.05986	100.0
138.06339	1.3
140.04723	3.0
141.35887	0.5
145.05016	1.1
151.03906	0.6
155.07037	1.4
158.99696	0.9
163.03909	2.0
163.07550	2.6
175.07542	1.4
180.90486	0.6
181.05115	0.7
181.08606	11.5
199.06058	3.1
212.06157	1.1
217.10410	0.6
219.01776	0.9
237.02835	0.9
272.11221	2.9
289.10779	1.3
303.12778	0.7
307.11734	0.9
377.62985	0.6
378.08707	2.4
378.14639	8.6
378.18515	0.8
379.15793	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	378.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09686	0.2
51.21282	0.2
51.85794	0.2
52.54061	0.2
53.03930	0.9
55.01869	0.3
55.27280	0.2
57.03423	0.7
61.02935	1.3
65.03929	1.3
69.03436	2.7
69.52028	0.7
69.52459	0.7
71.04994	0.5
73.02910	0.4
75.57777	0.2
79.05495	2.6
81.03407	1.3
85.02910	8.0
87.04463	0.5
91.03951	0.4
92.05011	3.2
93.03425	0.5
93.07023	0.3
95.04984	0.8
97.02891	2.4
98.21494	0.4
99.04462	0.5
103.03961	0.2
105.04482	0.2
106.06548	0.6
107.04959	30.5
109.02877	0.6
109.05281	0.3
110.06046	100.0
111.04443	0.3
111.06367	0.6
115.98383	0.2
122.06027	3.6
127.03934	1.6
127.95049	0.2
131.04890	0.2
134.06009	2.1
140.14061	0.2
145.04961	1.7
146.05989	0.4
152.07071	1.4
162.55022	0.2
176.07129	0.5
181.12227	0.4
188.07153	0.3
216.10208	9.2
236.09195	0.5
254.10292	1.4
255.09830	0.2
272.11292	16.1
273.11627	0.3
378.15417	2.1
378.19171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01890	2.6
56.96564	3.4
57.03417	2.4
61.02922	3.9
63.67503	1.5
67.05499	3.9
69.03430	8.2
71.46189	2.3
72.08138	2.6
73.02932	1.7
75.16495	1.5
81.03413	5.7
85.02433	2.1
85.02910	25.2
87.04447	1.7
91.03941	2.2
95.04974	25.6
97.02887	9.5
98.97582	9.6
105.03380	2.8
105.04510	2.5
107.04967	6.4
107.08600	1.4
109.02873	2.0
111.04468	2.2
116.98624	2.6
123.04427	17.9
125.02363	4.8
127.03919	6.2
128.78886	1.6
130.08653	3.2
134.78320	1.7
137.05986	4.3
139.03914	1.8
140.04694	100.0
145.04945	6.1
155.07048	45.7
158.99657	2.5
162.07765	1.8
163.03888	1.7
166.05063	5.0
167.07077	2.6
173.08121	3.5
180.08710	5.6
181.04958	11.3
199.06036	98.8
216.08626	2.8
219.01768	2.4
237.02875	3.1
318.09433	2.8
371.39499	1.3
375.37134	1.8
378.11166	12.3
378.15103	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	19.2
56.24008	2.1
56.96559	2.5
57.03407	2.9
57.07064	4.5
59.05009	2.4
65.03952	2.7
65.92440	2.5
67.05178	3.8
67.05509	41.5
69.03410	4.4
69.07066	34.2
69.59824	10.4
69.60242	6.3
71.05013	11.3
79.05495	27.7
81.07060	100.0
83.04989	11.5
83.08635	11.4
85.02902	4.3
85.06543	13.9
91.05472	17.9
93.07051	51.2
95.04966	15.8
95.08609	56.3
97.06529	7.8
97.10174	5.5
98.20763	4.5
98.97587	3.6
101.05992	4.6
105.07037	28.8
107.04948	11.0
107.08598	35.5
109.06498	6.8
109.10168	54.3
110.06048	27.8
111.08044	9.2
111.11715	4.6
119.08583	17.0
121.10150	36.2
123.08083	3.9
123.11713	42.6
123.53487	2.7
125.09639	5.7
131.08612	4.7
133.10168	11.5
135.07967	2.6
135.11681	28.3
137.13263	9.0
139.11174	5.8
145.10124	8.7
147.11708	21.5
149.13246	9.5
151.11205	4.6
153.12756	7.6
159.11652	8.2
161.13268	8.2
162.79994	2.6
163.14861	3.9
165.12709	5.6
167.06996	3.3
169.12241	4.8
173.13239	5.1
175.14731	3.5
177.16284	2.6
187.13356	3.4
189.14873	8.1
213.16379	3.3
213.39352	2.6
235.00975	2.2
238.41985	2.8
272.11279	4.3
287.23584	4.9
293.24753	9.0
294.42490	2.7
305.24710	7.5
323.25851	11.4
323.45325	2.8
377.07632	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	378.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
51.09484	0.4
51.19324	0.4
53.03949	1.7
55.01874	3.1
55.05502	0.5
56.96580	0.5
57.03445	1.2
59.05000	0.6
60.04536	0.7
60.95428	0.4
61.02921	1.0
65.03930	0.5
67.05502	1.5
69.03432	6.0
69.07078	1.7
69.63774	2.5
70.06596	0.7
71.04995	1.5
73.02917	1.4
73.28962	0.5
74.01174	0.4
74.24300	0.4
78.03455	7.0
79.05502	1.4
80.05020	3.0
81.03422	5.2
81.07054	2.3
85.02909	8.5
85.06508	0.5
87.23725	0.5
89.06018	3.1
90.06358	0.8
91.05480	1.7
93.07047	2.9
94.79782	0.5
95.04963	4.6
95.08597	3.9
96.04502	2.8
97.02886	3.5
97.06546	2.0
98.97581	3.2
99.04449	1.4
105.03384	0.7
105.07024	3.0
106.02922	29.6
107.04992	0.7
107.08600	1.5
109.02868	4.5
109.06532	1.2
109.10149	1.9
111.04451	2.9
111.08090	2.0
116.98662	1.3
119.04843	0.5
121.06551	0.6
121.10168	3.5
123.04439	1.1
123.08060	3.8
124.03957	100.0
125.05915	0.5
127.03928	4.8
127.11183	1.7
129.82924	0.5
133.10138	0.8
135.08020	0.8
135.11739	0.7
137.05989	3.1
138.06700	1.4
139.11185	8.7
141.09088	1.9
145.04930	0.8
145.10132	1.8
148.04021	0.5
148.05214	9.1
149.09622	1.0
151.03952	0.7
153.09052	0.6
158.99643	1.0
163.11209	2.6
165.05417	0.7
166.04979	0.8
169.12227	1.8
172.08691	1.6
177.00729	0.5
181.08598	98.2
182.08949	0.7
199.13348	4.2
203.04724	0.5
205.08163	0.5
208.06047	0.6
216.07855	0.7
219.01804	0.9
237.02699	0.6
243.08742	5.4
244.09258	1.2
250.07109	10.1
265.07523	0.5
268.08157	8.3
288.12933	0.5
307.11978	0.7
378.11746	40.7
379.09372	2.7
385.11649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94129	3.1
53.03942	5.9
55.01873	7.0
55.05523	17.4
56.96590	3.7
57.03443	3.4
57.07077	10.4
67.05510	52.1
67.65224	2.9
69.03426	5.4
69.07068	25.8
71.04996	10.4
71.56814	4.1
77.58829	3.2
79.05497	41.0
81.03422	7.2
81.07064	100.0
83.04985	20.0
83.08633	10.4
85.02901	9.6
85.06551	15.8
91.05487	29.5
93.07051	75.1
95.04957	15.4
95.08612	76.1
97.02863	4.0
97.06532	10.2
97.10181	6.3
98.97610	8.5
99.08105	5.7
101.06010	10.4
103.05447	3.4
105.07035	50.2
107.04980	6.0
107.08601	68.5
109.02888	5.3
109.06517	10.8
109.10168	45.5
111.04476	3.1
111.08060	7.0
115.07548	8.6
117.07008	8.8
119.08584	39.0
121.10149	48.3
123.08178	3.8
123.11722	25.9
125.09616	7.6
127.03961	4.2
131.04936	4.0
131.08603	8.8
133.10159	31.2
135.08072	4.6
135.11700	56.1
135.60527	3.1
137.05975	9.6
137.09607	5.5
137.13235	5.2
139.11185	5.8
143.10648	3.6
145.10139	14.8
147.04445	4.4
147.11703	31.8
149.05971	3.3
149.13268	20.5
151.11180	5.0
153.12794	3.9
155.10704	3.9
157.10152	8.0
157.12267	4.1
159.08125	3.4
159.11700	12.5
161.13268	13.5
163.14816	10.2
165.12740	7.0
171.13789	3.5
173.13269	6.7
175.14848	20.6
177.05539	3.9
181.04974	11.3
187.14853	6.4
193.15822	7.9
197.12956	3.4
201.16440	5.8
229.18079	4.0
251.05504	3.8
258.41803	3.7
269.22650	5.3
287.23761	5.8
293.24890	3.7
303.09396	3.5
305.24762	13.8
311.25830	3.4
323.25775	8.4
377.12408	4.4
377.19086	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76502	0.7
56.96565	7.8
61.02905	0.7
69.03429	1.8
71.04987	2.3
71.20883	0.8
71.21215	0.7
71.95258	0.9
79.05491	0.9
81.07046	1.6
84.96038	0.7
85.02890	3.9
85.37528	0.6
91.05492	0.9
97.02898	1.2
98.97584	100.0
107.04951	0.8
109.06514	1.7
110.97550	4.3
112.99113	0.8
116.98620	30.5
116.99466	1.5
118.55828	0.6
118.89724	0.7
119.08567	1.0
121.02881	2.7
122.03226	0.7
123.04417	0.7
123.08068	2.8
127.03927	1.4
128.98605	3.6
131.00180	0.8
134.99652	5.3
137.05969	3.6
138.06348	1.2
140.00220	0.8
143.00215	1.1
146.99689	1.1
152.07068	0.7
152.98538	0.6
158.99657	27.1
161.01170	1.1
170.99644	1.4
173.04880	2.2
177.00713	19.0
179.10683	2.1
189.04471	0.9
191.05952	1.9
195.01794	0.9
197.04848	9.2
197.11711	3.2
200.02377	0.8
201.00700	1.1
215.03867	1.4
215.05927	25.1
215.12846	2.4
219.01765	6.7
233.07034	4.5
237.02774	8.2
246.55853	1.2
257.06985	3.0
317.09042	14.8
335.10138	53.8
358.11774	1.8
376.62180	1.3
377.11011	30.1
377.14426	29.9
378.11465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01167	0.6
56.96568	4.5
57.03403	0.7
61.02935	0.6
69.03424	1.3
69.20963	1.2
69.21372	4.8
71.05000	0.7
79.05465	0.6
81.03414	0.8
81.07053	0.9
84.96011	1.2
85.02912	2.9
91.05499	0.8
97.02908	2.0
98.20802	1.2
98.97592	52.7
107.04912	1.4
109.06515	1.0
110.97591	2.4
116.98627	16.3
123.08077	1.4
127.03882	0.8
128.98637	2.4
134.99670	2.7
137.05984	2.1
140.98679	0.6
145.04932	0.7
146.99742	0.8
152.98511	0.8
158.99664	11.5
170.99590	0.9
173.04938	1.0
177.00728	9.2
179.10716	1.1
191.05986	1.2
197.04884	4.3
197.11780	1.4
201.04260	0.6
215.05939	14.9
215.12807	2.0
219.01804	3.5
233.06969	1.8
237.02914	3.9
257.07004	1.9
261.09464	3.8
275.08209	0.9
296.54416	0.7
317.09030	9.6
335.10156	33.2
338.63217	0.6
358.11639	1.3
377.14542	100.0
378.14725	1.3
402.98511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03948	1.5
55.01852	0.6
57.03440	6.8
59.04986	1.0
61.02928	3.1
69.03432	13.1
70.99716	0.5
71.01360	2.1
71.05001	3.3
73.02914	2.2
74.78948	0.3
75.04492	2.1
77.10585	0.3
79.05476	0.6
81.03421	3.4
81.07043	1.2
83.57036	0.3
85.02877	0.9
87.04421	0.6
89.06039	1.0
91.03966	0.3
91.05461	0.8
95.08573	0.4
97.02901	0.6
99.04457	4.4
105.07058	0.3
107.08551	0.4
109.02840	0.5
115.73089	0.3
117.05486	1.2
119.04938	0.4
119.08595	0.5
122.69332	0.4
125.06064	0.3
126.54326	0.4
127.03861	0.4
137.05975	3.7
145.07626	1.9
147.04373	0.5
150.29201	0.3
157.06361	0.5
159.09166	0.4
169.09740	0.3
170.07149	1.1
172.08707	28.2
174.10251	0.4
175.08719	0.5
179.10672	1.0
184.05727	0.3
190.09724	1.2
197.11589	0.7
197.13164	0.4
198.06631	5.4
200.08203	4.6
214.06747	1.2
214.09746	1.0
216.07692	14.5
218.09271	0.3
229.08447	0.4
231.51308	0.3
243.08788	61.5
244.07149	1.1
244.09181	0.8
359.13480	2.7
377.14557	100.0
378.14984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.01884	11.5
56.96349	4.3
56.96569	59.1
57.03429	22.2
59.14816	5.0
61.02934	41.1
69.03437	44.9
69.24399	51.3
70.57396	6.0
70.98122	6.2
71.04992	12.7
71.95287	6.8
72.10480	4.8
73.02926	27.7
79.13692	5.5
79.14173	4.7
79.48759	4.2
81.03399	19.1
84.96035	8.2
85.02908	100.0
86.03230	5.2
87.04440	7.5
89.91592	5.3
91.03980	7.9
97.02892	62.9
98.97024	6.5
98.97595	66.2
99.04443	13.4
101.00877	24.8
101.02351	7.8
103.00633	8.1
105.02007	5.4
107.04945	8.5
109.02879	7.6
110.97575	14.2
112.99132	11.6
113.00845	7.7
115.02431	7.0
116.98618	27.6
117.02103	5.9
119.01901	54.5
121.01643	17.0
124.99110	6.2
125.09119	4.7
127.03922	41.3
128.02290	9.9
128.98581	22.3
129.01886	5.9
129.72409	5.0
131.00125	11.5
131.01889	22.9
133.01682	8.9
133.03485	13.8
134.99617	9.8
135.03175	6.4
137.05928	6.6
139.02463	5.6
140.02278	6.1
142.30093	4.9
143.00150	22.3
143.01923	25.2
143.03387	5.3
145.01672	6.6
145.03423	15.9
145.04984	18.0
145.87541	5.1
146.02330	6.4
146.99638	25.6
147.01387	7.7
147.03148	10.5
147.05066	5.6
149.01221	6.0
149.02922	8.8
150.01805	5.4
154.04008	6.1
155.01842	13.2
155.02982	7.7
157.03519	13.1
158.99658	28.4
159.04980	7.6
160.97551	5.6
161.01248	27.1
161.02911	17.1
161.04733	5.6
162.03625	14.3
163.04514	8.0
165.00569	6.2
166.86783	4.6
167.08299	5.0
168.03619	8.0
169.03464	17.1
170.03491	7.3
170.99663	16.1
171.01350	9.0
173.01550	6.3
173.02962	23.2
174.99112	12.9
175.02763	9.7
175.04375	12.6
177.00703	22.6
177.02405	10.6
178.04898	9.4
179.02240	11.1
182.03229	8.2
183.05095	6.3
183.52541	5.1
185.01260	8.5
185.02921	10.5
187.02844	6.2
187.04462	30.3
188.97076	11.7
189.00668	26.9
189.02477	17.0
191.02315	10.9
191.03929	36.3
193.00221	12.6
195.01367	9.1
197.02919	6.7
200.04430	52.6
201.00677	11.2
201.02481	7.0
201.06061	6.9
203.02254	13.2
203.04016	13.1
204.02823	6.8
205.00153	10.4
206.02585	11.3
207.01674	14.6
207.03470	7.7
209.04999	6.9
211.04605	11.0
213.02432	16.1
213.06175	6.6
215.00378	6.9
215.03954	10.3
217.00128	10.6
217.02057	11.1
217.05643	6.2
219.01756	30.8
221.03183	9.3
221.05072	11.5
223.01227	6.3
225.02538	9.5
227.04337	6.1
229.00114	6.1
230.98018	6.2
231.01685	13.3
231.03589	11.8
237.02797	24.3
242.03473	6.3
245.05130	9.8
248.99236	8.4
249.02928	11.7
255.03795	8.2
256.05234	21.8
257.05115	23.2
259.06610	8.7
261.02637	7.8
263.00821	10.0
265.05594	12.1
267.00323	9.6
271.06445	11.2
272.06580	21.1
275.02417	20.1
275.05417	7.5
279.03818	12.0
281.01794	6.2
281.07089	27.1
287.05527	15.6
305.03552	7.3
315.05658	6.0
317.03461	6.0
317.06891	8.5
377.04816	14.2
377.08502	44.3
377.12469	22.2
385.37119	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.5
55.01870	10.4
55.05516	95.4
56.96566	19.3
57.03443	64.2
58.04210	22.3
59.04992	18.1
67.05502	76.8
69.03433	19.3
69.07079	41.6
69.40701	8.0
69.93556	30.5
69.93974	16.4
71.04990	12.1
75.04489	53.5
75.79931	8.2
79.05493	67.5
81.03419	61.4
81.07066	54.2
82.06559	13.0
83.04971	35.7
83.08628	56.6
84.80244	7.7
85.02873	12.3
91.05473	75.5
93.07052	42.2
95.04994	46.4
95.08603	34.0
97.02873	12.7
97.06538	11.1
97.10176	100.0
98.21416	11.7
98.97603	16.1
105.07034	32.0
107.04955	21.2
107.08593	51.4
109.06512	15.6
109.10155	13.9
119.08601	20.5
121.06483	11.4
122.39465	8.0
123.04449	10.7
125.09631	74.4
127.87528	7.5
129.06912	10.0
131.08595	14.2
133.10095	12.0
135.08018	10.7
137.05994	12.2
149.09523	10.3
152.04279	14.1
157.10107	9.8
167.07030	17.3
189.11229	28.8
193.12227	14.6
223.13261	36.6
237.14944	19.8
252.13071	11.1
376.23901	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.50455	0.4
55.01866	0.8
57.03418	1.5
58.51793	0.3
60.36958	0.3
61.02929	2.5
65.14410	0.3
67.45238	0.3
69.03432	5.1
69.73045	0.3
69.77724	1.4
71.04983	1.0
73.02902	1.2
81.03403	2.8
85.02908	22.5
86.82829	0.4
87.04480	0.7
91.03954	1.4
95.49688	0.3
97.02884	7.1
98.20851	0.6
98.97589	0.4
99.04432	1.2
109.02882	1.8
115.65688	0.3
122.03627	0.8
127.03902	4.3
137.05980	100.0
138.06302	0.9
139.10455	0.4
145.04970	6.9
151.07567	1.6
161.09563	0.4
162.07545	0.5
163.05951	0.4
179.07037	37.3
180.07382	0.4
180.08681	2.5
190.17073	0.4
197.08105	8.2
214.10776	1.1
245.08089	0.4
263.09399	0.3
277.65799	0.4
376.16522	0.6
377.17740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46936	0.3
55.78181	0.4
56.96569	18.8
60.41661	0.4
66.94720	0.4
67.05472	0.4
69.07045	0.4
70.61362	1.1
71.08620	1.3
71.95268	3.7
72.96038	1.6
74.97604	0.5
75.55721	0.4
81.07050	0.7
84.96020	1.5
86.09727	0.4
86.97572	0.5
88.11275	2.6
93.07029	0.4
95.04979	0.8
95.08604	0.5
97.96783	2.2
98.20872	0.4
98.97583	1.2
105.00198	0.5
109.06526	1.0
110.97571	6.8
112.99148	0.4
115.97852	0.4
120.32085	0.4
123.01202	0.6
124.99126	0.5
127.35830	0.4
128.98608	8.2
134.66513	0.4
137.02734	1.2
137.85527	0.4
143.00150	1.2
145.01756	0.4
146.99661	3.3
152.00206	1.3
154.80934	0.5
155.03728	0.7
161.01221	0.9
165.00819	0.7
165.12764	1.8
169.01756	0.6
171.03304	1.3
175.02721	0.5
183.06886	0.4
185.04788	0.8
189.04318	1.1
190.05067	0.7
203.05780	0.5
205.07463	0.6
211.06480	0.5
215.68553	0.4
230.62819	0.4
263.09583	1.8
277.11087	2.2
278.11804	0.5
278.24863	0.5
291.12732	0.6
317.17886	40.0
333.17337	2.1
335.18942	100.0
336.19302	1.7
353.19995	18.3
353.38705	0.4
358.20569	23.8
359.20914	0.6
376.21716	5.0
376.26025	0.9
376.32202	2.2
376.36554	0.7
399.23273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.1
55.01886	9.9
55.05508	100.0
57.03436	56.7
58.04214	21.2
59.04991	12.5
67.05505	74.4
69.03419	15.1
69.07063	34.4
69.60796	6.9
70.93641	16.2
71.04982	8.3
72.17213	6.6
73.02921	7.4
75.04479	40.6
79.05495	46.7
81.03424	35.7
81.07060	59.5
83.04973	24.2
83.08621	59.4
85.02915	13.2
91.05491	39.2
93.07048	35.8
94.07397	6.6
95.04974	28.5
95.08611	25.6
97.06532	9.1
97.10170	83.5
98.97596	10.3
105.07047	29.2
107.04971	15.7
107.08604	37.6
109.06512	18.7
109.10159	16.5
115.05482	7.1
119.08620	12.4
121.10123	12.8
123.07995	7.8
125.09632	66.0
129.06972	6.7
131.08557	9.3
133.10069	14.1
135.08058	8.2
135.86185	6.8
142.95515	8.1
148.93019	7.6
154.12967	6.1
157.10165	9.2
159.11775	8.1
189.11179	33.3
193.12093	8.4
223.13167	41.3
237.14911	18.3
252.55505	7.1
275.20200	12.0
362.28055	7.4
376.22586	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	375.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01745	0.9
53.03945	1.9
55.01867	3.8
55.05276	1.5
55.05517	19.9
57.03428	5.1
57.03693	1.5
57.07080	5.3
59.05012	5.4
65.03938	1.7
67.05511	49.6
69.03435	5.8
69.07073	24.1
70.06587	2.2
70.16876	0.9
71.05003	12.6
71.54886	1.0
71.66031	1.0
79.05068	1.5
79.05499	20.9
80.88857	1.3
81.07061	59.1
83.04973	6.0
83.08611	10.2
85.02908	15.5
85.06546	13.5
86.09702	1.5
91.05491	14.2
93.07053	45.8
95.05003	9.6
95.08616	29.9
96.08121	2.2
97.02891	1.1
97.06544	30.3
97.10184	11.2
98.97588	3.6
99.04445	3.1
99.08102	4.0
101.06012	3.2
103.05468	2.1
105.03396	1.4
105.07035	19.8
107.04948	4.5
107.08603	47.8
108.08129	2.3
109.06516	7.2
109.10165	100.0
110.09692	5.1
111.04491	1.1
111.08095	12.3
111.11793	1.0
113.05980	1.9
115.05467	1.1
115.07595	5.8
117.07019	4.2
119.08577	9.8
120.08127	10.1
121.06515	4.2
121.08900	1.2
121.10153	13.1
122.06013	1.8
123.08074	5.8
123.11725	24.7
124.07626	1.8
125.09647	11.1
127.03910	1.2
127.11198	5.4
131.04918	2.9
131.08562	3.8
133.06491	1.2
133.10133	13.3
135.08049	3.6
135.11703	22.7
137.05988	8.2
137.09607	8.0
137.13251	3.4
138.09152	26.4
138.10217	1.5
139.11224	3.8
141.12726	2.3
143.08560	1.4
143.10692	6.5
145.10089	3.7
147.04434	1.5
147.07878	1.2
147.11688	4.1
148.07574	1.3
149.09697	1.7
149.13274	11.7
150.05498	2.2
151.03922	4.6
151.07582	12.2
151.11200	15.6
153.09116	4.4
153.12766	27.7
155.10664	12.2
157.10139	2.0
157.12247	1.3
159.11737	5.5
161.05930	1.3
161.13257	3.4
163.03757	1.2
163.07550	2.5
165.12743	3.2
167.07066	14.0
167.14275	3.6
169.12256	26.3
171.10187	2.0
171.13791	11.7
173.11766	4.8
173.13205	2.6
174.09091	1.3
175.07605	1.5
177.09024	2.3
178.04988	1.9
178.09334	1.6
179.07030	1.2
181.04941	1.9
183.11639	1.2
185.15398	1.1
187.13339	16.5
187.14883	2.0
191.07013	1.9
195.10196	2.9
195.13855	2.8
201.16455	1.5
203.07156	1.2
205.08742	1.2
205.14337	6.8
213.14879	22.3
213.16779	0.9
219.17528	1.4
226.49937	1.0
251.16603	2.0
262.17273	1.0
269.12723	1.5
269.17435	2.7
285.22141	1.8
285.91403	1.3
291.23193	1.8
297.12292	2.3
303.23160	3.4
309.24252	15.9
315.13330	6.8
321.24283	18.2
325.11481	1.3
329.14600	2.0
339.25461	8.6
343.12924	9.5
347.16037	5.0
357.13177	1.4
375.11676	2.0
375.16037	16.7
375.20001	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.01871	3.6
55.05513	22.6
57.03440	6.1
57.07064	3.5
59.05005	8.2
67.05508	48.7
69.03434	6.4
69.07068	29.2
69.64342	9.0
69.64764	2.6
71.04998	15.2
75.26815	1.8
77.13577	1.8
79.05501	23.9
81.03456	1.8
81.07060	62.1
83.04972	7.9
83.08630	11.7
85.02901	11.9
85.06536	12.1
91.05489	13.4
93.07044	40.6
95.04971	6.1
95.08615	28.9
97.06532	29.5
97.10169	13.0
98.20786	3.0
99.04417	3.5
99.08103	6.3
100.38760	1.6
101.06029	2.5
103.05473	2.1
105.07024	17.8
107.04954	4.0
107.08606	53.7
109.06522	9.8
109.10165	100.0
110.09685	3.6
111.08100	10.7
113.06040	3.0
115.07581	6.9
117.07035	1.8
119.08614	9.6
120.08125	9.1
121.06557	3.6
121.10159	12.7
123.04506	2.3
123.08088	6.7
123.11712	27.8
124.98939	1.5
125.09621	8.5
127.11194	4.6
131.04907	3.4
131.08578	2.8
133.10129	12.6
135.08070	4.7
135.11699	24.2
137.05983	10.9
137.09639	11.2
137.13269	3.1
138.09148	18.1
139.11186	5.2
143.10715	7.2
144.63370	1.8
145.10075	2.8
147.07796	2.6
147.11742	2.1
149.09615	2.4
149.13251	12.2
151.03940	6.8
151.07542	11.9
151.11197	13.8
153.09189	4.5
153.12747	28.7
155.10684	17.6
157.12296	2.2
159.11734	5.9
161.13235	5.7
163.07509	4.3
165.12775	3.5
167.07050	16.2
167.14331	4.8
169.10083	2.3
169.12250	28.1
171.10272	2.2
171.13806	10.7
173.11743	6.8
175.07535	1.7
177.12759	2.2
178.09377	2.8
185.15404	2.1
187.13283	14.0
187.14792	2.9
195.13890	2.7
205.14355	6.3
213.14839	16.0
269.12827	2.0
291.23013	2.3
297.12228	2.3
303.23276	4.6
309.24286	16.1
315.13428	3.8
321.24225	17.2
339.25278	9.4
343.12869	6.7
347.15979	2.6
375.16061	14.3
375.20117	4.7
395.40802	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1991
Annotation	Ala Glu Arg
Peak:m/z	Relative Intensity
50.41899	0.2
55.01854	0.3
55.05497	0.5
57.03426	0.2
57.28017	0.1
64.72921	0.2
65.22488	0.2
66.72276	0.2
67.05507	0.8
68.85847	0.2
69.03439	0.4
69.07051	0.6
71.04990	0.4
71.56807	0.3
72.41765	0.2
73.06569	0.2
73.51282	0.2
78.82848	0.2
79.05468	0.6
81.03410	0.3
81.07052	1.7
83.04961	0.2
85.02905	0.6
85.06521	0.5
91.05467	0.6
91.09174	0.2
93.07052	1.0
95.08611	0.9
97.02882	0.2
97.06528	0.2
98.97581	0.2
105.07011	0.6
107.08585	0.7
109.02888	0.4
109.06532	0.3
109.10164	0.8
110.25185	0.2
112.95087	0.1
117.06969	0.2
119.08547	0.4
121.06535	0.2
121.10137	0.9
123.11707	0.6
125.06004	0.3
129.05461	0.2
131.04935	0.3
133.10161	0.4
135.11711	0.5
137.05988	0.6
139.11183	0.2
143.10764	0.3
145.10106	0.3
147.11790	0.2
151.11223	0.2
161.05972	0.2
179.10669	0.2
184.74651	0.2
197.11775	0.2
213.14615	2.9
213.18410	0.3
261.57068	0.2
375.19891	100.0
376.20206	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2378
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03937	4.8
55.01866	6.6
55.05516	19.8
57.03447	8.1
57.07060	5.7
59.04994	3.8
59.84193	1.4
61.02938	11.7
67.05509	13.7
69.03082	2.3
69.03432	28.1
69.07073	40.0
69.46657	10.9
71.04994	12.3
73.02905	4.6
76.39422	1.2
79.05513	7.7
81.03419	13.6
81.07060	31.7
83.04998	9.9
83.08649	7.3
85.02908	66.9
85.06545	25.5
87.04465	5.9
89.67730	1.4
91.03953	5.7
91.05478	5.3
93.07043	17.0
95.08609	45.2
97.02898	25.2
97.06541	6.6
97.10156	9.8
98.97570	1.8
99.04448	4.8
99.08103	20.7
101.05366	1.4
105.07030	5.0
107.08606	24.1
109.02885	8.4
109.10159	19.4
111.08093	3.9
111.11713	5.9
113.09644	8.6
119.04984	3.4
121.10149	37.5
123.11717	11.9
125.09620	9.6
127.03918	13.7
127.11193	2.1
133.10150	2.4
135.11705	18.7
137.13266	20.0
139.11185	9.0
145.05002	13.4
147.04434	12.5
149.13268	4.9
151.14851	6.6
153.12767	13.2
157.59839	1.4
163.06075	1.3
163.07468	1.4
177.16397	100.0
179.07104	2.5
195.17467	44.4
213.18512	71.5
213.81410	1.6
225.67967	1.7
280.29504	1.5
338.99973	1.6
375.15292	1.7
375.23758	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	375.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69922	0.6
57.03436	0.6
67.05502	1.2
69.03413	0.6
69.07042	0.7
71.05010	0.9
74.72693	0.5
79.05460	0.9
81.07037	1.1
83.05001	0.6
85.02903	3.1
86.09694	0.7
91.05458	1.7
95.08612	1.5
98.97538	0.9
105.07011	1.1
107.04961	1.1
107.08563	1.1
109.06526	0.8
109.10122	1.0
117.03314	0.7
119.04945	1.0
119.08573	0.8
119.99904	0.6
137.05939	1.8
145.02811	2.1
146.03145	1.8
147.04398	0.6
158.99612	0.7
177.05484	2.8
178.05858	4.0
178.07196	0.6
195.06557	2.1
196.06874	3.0
221.34497	0.6
272.10281	0.7
315.09769	0.9
317.12094	4.0
360.65802	0.6
375.16196	100.0
376.16589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1995
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.03957	1.0
55.01866	2.5
55.05520	5.5
56.96561	1.3
57.03438	2.6
57.07078	6.7
61.02917	2.2
64.00666	0.9
65.03942	1.3
67.05513	7.9
69.03435	10.4
69.07066	6.8
71.04999	6.9
71.20433	1.4
72.22974	0.9
73.02921	1.6
77.42656	0.9
77.70303	0.9
79.05510	6.6
81.03432	5.6
81.07060	22.6
83.04977	2.9
83.08611	2.6
85.02907	27.0
85.06548	6.9
87.04480	1.0
91.05498	5.8
92.05833	1.2
93.03390	1.2
93.07050	12.6
95.04977	4.4
95.08614	12.7
97.02904	4.7
97.06532	2.6
97.10159	1.1
98.97596	1.4
99.04443	2.7
99.08106	3.9
103.05444	2.1
105.07053	7.2
106.50635	0.9
107.04948	3.6
107.08607	7.1
109.02875	3.4
109.06482	1.9
109.10155	8.5
111.04432	2.6
111.08092	3.4
111.53692	1.0
113.09642	1.8
116.98627	1.9
117.06996	1.6
119.05056	1.0
119.08580	5.0
121.06516	1.0
121.10156	8.5
123.11712	5.3
125.05984	1.8
125.09636	2.1
127.03930	11.0
127.07575	2.0
131.04950	1.9
131.08566	1.9
133.10126	4.2
135.08086	1.6
135.11690	6.0
137.05992	8.7
137.09648	1.9
139.03931	1.4
139.11179	1.5
145.04990	4.8
145.06396	0.9
145.10132	2.4
147.04410	3.0
147.11697	2.2
149.09581	1.7
149.13278	1.1
151.03906	1.8
151.11156	1.6
153.05479	1.5
153.12717	2.4
155.10707	1.3
157.10173	1.4
157.30037	0.9
161.13354	1.1
163.07541	2.8
163.11205	1.1
167.07123	4.5
167.10747	1.8
175.07545	2.0
177.12810	1.0
177.16391	3.1
195.11758	1.1
195.17415	5.1
196.21762	1.0
201.16475	1.0
213.14748	3.8
213.18491	9.4
219.13834	1.0
238.70216	1.0
255.07622	1.3
259.08640	1.6
303.23108	1.8
315.09579	1.6
321.24124	1.6
324.85825	1.1
357.19223	1.2
375.15109	4.4
375.19904	100.0
376.20148	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01863	1.6
56.96568	1.4
66.04749	0.8
68.31726	0.7
68.98665	0.8
69.03425	1.9
71.04652	1.7
72.08134	1.0
79.05482	2.5
84.76803	0.9
85.02903	4.4
86.09709	1.2
87.04462	1.0
91.05477	4.3
93.07059	2.0
94.04174	2.4
95.05013	1.2
95.08640	1.0
97.02896	1.4
98.97574	3.3
103.05446	2.2
105.07027	2.3
107.04928	2.0
109.06479	1.3
111.04416	1.1
115.05435	1.7
117.07021	0.8
119.04939	3.6
121.06497	2.6
122.03649	6.4
124.44936	0.9
125.06021	1.1
127.03936	6.1
131.04904	3.2
132.05750	1.1
135.04393	1.3
135.08012	1.1
135.11668	0.9
136.06174	1.2
137.05983	100.0
147.04437	5.1
147.07985	1.5
149.05977	4.0
150.06767	1.7
151.07510	1.9
158.99701	1.3
159.04434	1.8
159.11780	1.1
160.05257	2.4
161.05989	27.7
162.06693	2.4
163.03868	2.4
163.07518	2.0
165.06992	2.0
167.07018	2.6
172.05237	2.9
175.07585	9.9
177.05447	2.8
179.07034	1.9
179.08495	1.5
179.19122	0.8
191.07053	5.6
195.06488	1.2
199.11374	0.9
203.07056	23.5
207.08040	1.0
210.06738	0.9
219.01764	0.9
221.05978	1.2
221.08076	15.0
222.06694	1.1
224.08368	1.0
225.09152	2.0
233.08150	1.6
235.07556	1.1
237.08998	2.4
239.10541	1.0
251.07120	1.2
253.08644	2.5
265.08627	2.6
267.10147	2.8
269.07898	1.6
270.09058	0.9
277.08539	2.3
285.11151	3.0
287.51636	0.9
294.09006	1.4
297.11298	3.7
309.11163	4.4
315.12717	1.1
325.10413	1.2
327.12439	1.5
343.11768	5.0
345.13263	3.5
375.12009	4.5
375.16656	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	375.1441
Annotation	Vladinol D
Peak:m/z	Relative Intensity
50.78007	0.7
52.68680	0.7
53.03938	1.3
55.01866	2.4
55.05506	2.0
57.03428	1.1
62.13572	0.9
65.03935	2.9
65.15845	0.8
67.05524	4.6
69.03421	2.7
69.07059	2.7
69.48112	6.4
71.04996	2.1
73.38117	0.8
79.05495	3.7
81.03426	9.5
81.07061	5.9
83.04984	2.0
83.08619	1.1
85.02898	3.2
85.06548	1.7
86.09690	1.2
87.83131	0.8
91.05512	4.1
91.05952	0.7
93.03384	1.8
93.07070	4.5
94.04191	1.0
95.04959	2.9
95.08607	2.7
97.02888	2.3
97.06512	1.5
98.97601	1.2
101.06007	1.0
103.05460	2.1
105.03390	1.9
105.07036	5.0
107.04961	3.3
107.08598	2.8
108.02084	2.7
109.06511	3.8
109.10157	3.9
110.09702	1.1
111.04433	2.2
111.08077	2.4
115.05430	2.3
117.07014	1.9
119.08612	2.7
120.08085	3.7
121.06520	1.3
121.10155	4.1
122.03645	3.5
122.06017	0.8
123.08057	1.9
124.07588	1.2
125.06001	2.3
125.09615	2.8
127.03980	1.5
128.06219	2.1
129.07007	6.8
131.04935	2.8
131.08578	1.7
133.02898	1.0
133.10135	2.9
135.04465	1.5
135.08099	1.0
135.11641	1.3
137.05986	53.4
138.09128	3.2
141.05431	1.5
143.04907	3.9
145.10149	1.7
146.03609	1.0
147.08046	2.0
147.11676	1.0
148.03943	13.3
149.13147	1.2
151.03918	100.0
151.05026	9.2
151.11143	1.9
153.05504	4.2
153.12798	0.9
157.06502	9.7
160.05226	1.3
161.05988	3.0
161.09624	1.1
163.03903	1.0
163.07681	1.0
163.11186	4.4
164.11465	4.4
165.05486	2.6
165.06972	1.0
166.04982	2.4
166.08636	1.1
167.07108	4.4
171.04387	4.5
171.11684	1.0
172.03899	1.4
173.13264	0.9
174.06732	0.9
175.07616	5.3
176.04765	1.9
177.05560	1.1
181.05110	1.6
187.07564	1.6
189.09097	9.8
190.04951	1.4
191.07033	7.9
195.13812	1.2
203.07031	19.6
204.06615	3.8
205.08542	6.3
213.14793	1.2
213.63112	0.9
215.07028	1.6
218.07330	1.3
219.08148	2.0
219.17455	1.0
221.08093	8.5
233.08081	4.0
234.06781	1.4
235.13272	0.9
237.18532	1.2
243.06471	1.4
245.15112	0.8
246.06898	1.1
247.07457	1.7
255.11256	2.3
261.09174	1.1
267.10306	1.3
269.09119	1.5
273.12302	1.8
275.06860	0.8
279.09973	1.2
283.10571	1.6
286.08380	1.9
295.09579	2.0
297.07724	1.1
297.11075	1.0
301.11804	10.0
307.09680	3.0
309.11301	1.7
321.11136	4.7
327.12277	8.2
329.11444	1.4
339.12317	7.5
343.12927	2.8
345.12979	1.0
347.16147	1.5
357.13440	9.2
375.11893	2.5
375.16260	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	375.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61296	0.6
63.97501	0.7
66.04714	0.8
67.05507	1.1
69.07050	0.7
70.58923	2.4
71.04995	1.0
73.02907	1.7
75.45450	0.7
78.04701	1.2
79.05496	3.6
81.07056	1.5
85.02912	1.2
91.05485	2.3
93.07041	1.1
93.94883	0.7
94.04178	2.2
94.04718	0.7
103.90934	0.8
105.07031	1.7
107.04967	4.0
109.06497	1.5
115.05445	1.5
116.01213	0.6
121.06490	0.8
122.03654	7.3
123.04441	1.5
131.04950	1.1
133.10159	1.0
137.05984	100.0
138.06232	4.3
147.04379	1.2
149.06010	1.6
151.03911	1.8
151.07518	1.9
152.04742	1.2
153.05432	1.6
160.05209	1.3
161.06009	5.7
163.07574	0.9
164.61113	0.8
165.05629	1.0
165.06955	1.7
167.07051	17.5
167.08435	1.2
175.07530	4.6
179.07053	1.2
179.08487	1.0
191.07033	3.7
191.08575	1.0
194.07402	0.8
197.06091	1.1
203.07083	3.3
205.06596	0.9
206.07323	0.8
207.08107	2.0
210.06732	0.9
211.07571	0.8
213.13152	1.0
219.07990	0.8
221.06125	1.6
221.08090	1.4
223.07468	1.0
225.09099	1.4
234.06885	1.7
235.07617	1.8
237.09094	1.7
238.06195	0.8
251.07130	0.8
253.08673	2.6
263.07065	1.1
265.08597	3.2
267.10327	1.6
277.08505	1.6
279.10144	1.4
283.09689	1.6
284.10458	0.9
285.11282	4.0
294.08954	1.9
295.09552	1.4
297.11218	3.3
307.09875	1.5
309.11282	5.8
315.12289	1.5
327.12094	2.3
339.12177	1.8
345.13409	3.9
357.13156	1.0
375.16364	15.3
375.20178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1263
Annotation	Dercitamide
Peak:m/z	Relative Intensity
56.96556	1.9
69.03416	1.3
69.90531	1.2
69.90942	1.9
72.08150	0.8
72.75127	0.6
79.05464	0.7
81.03388	0.7
83.04965	0.8
84.04484	0.5
85.02908	3.9
87.04469	0.5
91.05473	1.0
97.02884	1.6
98.97572	2.4
99.04479	0.6
100.02207	0.5
106.19905	0.5
107.04939	1.3
110.97554	0.6
111.10777	0.4
116.98600	1.1
125.06000	1.5
127.03892	1.5
128.98610	0.7
130.92639	0.5
133.02852	0.7
135.04382	1.4
137.05991	5.9
151.03889	1.4
158.99686	1.0
161.05963	1.7
163.03915	0.9
167.07048	1.1
177.00526	0.6
177.05457	0.6
191.06953	0.6
195.03140	0.5
195.06386	0.8
201.03885	0.7
203.07100	0.9
210.04279	1.0
213.07584	2.1
213.11102	0.6
219.01842	0.9
221.08116	1.0
229.55518	0.6
237.02785	0.8
238.03807	1.6
255.05478	0.6
256.05115	0.8
259.07932	6.3
298.90512	0.5
315.07584	0.6
343.10388	0.6
375.12555	100.0
375.16229	7.9
376.12756	0.7
393.09872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1284
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
53.03942	8.6
55.05501	7.7
56.96567	27.5
57.03439	10.3
61.02927	10.3
63.52459	4.9
65.03931	6.7
66.89532	4.8
67.05489	4.8
69.03436	25.5
71.01336	6.2
71.53909	6.6
71.68113	4.6
79.05524	11.3
81.03422	14.0
83.04984	19.6
84.08181	5.6
84.96049	13.9
85.02916	79.9
91.05472	9.0
93.03416	6.3
97.02883	24.9
98.05788	5.3
98.97599	44.5
99.04419	5.4
100.02177	12.3
103.05514	5.5
103.23476	5.4
105.03391	10.2
105.07039	6.2
107.04955	25.4
107.08615	7.7
109.02879	6.1
110.03627	6.8
110.97565	10.1
111.04458	17.9
113.02364	8.2
116.98624	19.6
119.05010	4.8
121.06541	7.3
122.03634	9.3
124.99158	5.9
125.06001	51.8
127.03915	22.1
128.98659	11.7
131.00223	5.7
133.02847	11.6
135.04405	16.1
135.11652	6.1
137.05988	84.2
141.01823	12.7
143.00200	15.6
146.99554	7.2
149.05965	15.3
150.03139	7.7
151.03906	50.5
153.05452	10.7
158.99644	14.2
161.01221	14.0
161.03033	5.2
161.05956	23.1
163.03818	7.9
165.05461	26.1
166.94000	5.7
167.07014	18.0
170.99657	8.6
177.00708	7.9
177.05470	14.1
185.01370	5.3
195.06570	15.6
201.03958	14.1
203.07069	17.2
213.00655	5.3
213.07585	77.1
213.11011	5.4
219.01840	6.5
221.05118	5.6
221.08089	14.8
231.05510	7.3
237.02907	11.0
243.11237	6.0
251.06908	5.5
375.12427	100.0
375.16351	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.3
61.02914	1.9
65.03942	1.5
69.03429	2.3
71.04987	1.0
71.17332	1.0
73.02908	1.9
79.05476	2.7
81.03407	1.4
81.07050	1.2
81.91367	1.0
84.27969	1.0
85.02898	8.0
91.05489	5.4
93.07043	1.3
94.04183	3.1
97.02903	2.0
98.97595	2.3
103.05447	1.6
105.07038	2.5
105.87701	1.0
107.04971	2.4
109.06513	1.0
111.04439	1.0
115.05437	2.4
119.04971	3.3
119.08562	1.5
121.02886	1.1
121.06509	2.4
122.03674	6.1
125.06000	1.3
127.03912	1.8
131.04953	4.8
133.06392	1.3
135.04388	1.9
137.05983	100.0
143.04921	1.1
145.04909	1.4
145.06517	1.0
147.04411	6.1
147.08020	1.7
149.05984	3.3
150.06740	1.2
151.07530	2.4
153.05412	1.1
160.05234	1.7
160.25607	1.0
161.05986	23.5
162.06668	2.3
163.03867	1.3
163.07523	1.9
167.03427	1.5
167.07001	2.4
172.05183	2.8
175.07515	9.7
177.05539	1.3
179.06998	1.3
182.07233	1.1
191.07051	4.9
203.07027	22.2
207.08119	1.2
208.45264	1.1
210.06670	1.2
213.07677	1.2
213.11292	1.4
215.07043	1.2
221.06071	1.3
221.08078	14.3
225.09116	1.5
231.05334	2.0
233.08011	2.0
234.06741	2.4
235.07529	1.7
237.06697	1.1
237.09103	2.3
249.09187	1.1
253.08650	3.1
265.08612	3.7
267.10178	1.3
277.08594	2.1
285.11182	3.0
297.11203	3.7
299.12738	1.3
307.09607	1.2
309.11267	4.8
327.12363	2.6
327.17383	1.0
339.12451	1.6
343.11591	2.8
345.13229	2.8
375.12393	13.2
375.16953	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	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.6
55.05514	35.5
56.96550	34.0
57.07044	8.0
61.02912	12.3
67.05492	33.7
69.03408	15.5
69.07054	33.1
69.82503	32.2
72.03625	7.8
73.02926	7.5
78.60889	7.8
79.05481	24.0
81.03384	8.1
81.07072	72.4
83.04988	9.2
83.08612	14.9
85.02889	13.0
85.06507	7.3
91.05479	30.3
93.07044	44.8
95.04971	10.5
95.08631	38.0
97.02877	12.1
97.06515	8.3
97.10146	30.4
98.97584	13.4
105.03376	15.4
105.06985	23.2
107.04939	35.5
107.08581	33.7
108.05251	18.1
109.06554	7.5
109.10140	32.1
110.13956	7.2
119.08549	13.4
121.10130	22.4
123.11684	33.8
125.09598	12.7
131.00113	8.9
133.10115	16.0
135.11681	26.9
137.05988	33.4
138.06274	22.6
145.10175	8.1
147.11719	8.2
149.13220	18.2
161.13263	7.9
180.50577	7.6
185.13214	8.7
188.19881	8.5
195.13860	21.5
197.77991	8.2
231.52391	6.9
244.09804	9.7
267.08994	20.7
269.10532	13.8
275.23712	29.2
285.10052	28.3
287.11444	7.9
292.62628	10.2
293.24783	8.4
303.23175	100.0
308.11725	9.7
309.24329	10.8
321.24231	26.3
373.66019	8.4
373.70834	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	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.3
55.05507	38.9
56.96572	33.9
67.05508	83.1
69.07066	34.0
71.05005	52.7
71.54929	12.4
79.05482	55.6
81.07042	74.5
83.08635	24.2
86.88819	9.5
91.05474	40.0
93.07056	67.9
95.08590	47.9
97.06514	21.1
97.10192	22.2
98.97552	11.4
101.60312	9.7
105.03387	67.1
105.04539	9.4
105.07028	27.7
107.04330	9.5
107.04930	60.4
107.08595	57.4
109.10155	56.9
111.08076	11.9
117.06977	15.7
119.08573	25.8
121.10163	28.9
125.09634	32.9
131.08601	16.3
133.10162	17.8
135.08069	17.0
135.11678	14.9
137.05971	35.7
138.06303	12.3
145.10114	15.8
147.11732	14.7
153.12772	12.3
155.10564	11.5
159.11716	31.2
173.11765	62.0
177.12746	21.1
185.01247	12.5
187.13275	56.4
189.11160	12.0
195.13748	11.9
203.12759	28.1
241.17989	16.5
249.18631	14.3
257.18710	13.0
275.05966	9.6
275.20175	45.1
289.21582	17.3
321.24121	12.1
333.17206	56.1
351.14508	16.1
351.18222	100.0
369.19519	26.3
374.19943	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	375.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.1
55.05501	4.0
56.96563	13.7
57.03432	12.0
59.04987	4.7
61.02929	11.6
66.82851	2.1
69.03431	25.2
70.06573	4.3
70.20676	7.7
70.99842	2.5
71.04980	3.1
72.08144	9.2
73.02918	15.9
80.53458	2.1
81.03387	10.0
81.04519	2.9
83.04979	3.2
84.04501	3.0
84.08149	16.5
85.02908	57.8
86.03224	3.8
86.09686	5.6
87.04440	7.0
91.03956	2.3
95.04940	3.3
97.02891	24.1
98.97028	2.6
98.97588	27.3
99.04438	7.5
101.00875	18.7
107.04946	4.6
109.02839	7.9
110.97543	6.7
112.07565	2.4
112.74403	2.2
112.99129	4.3
113.00894	3.2
115.02412	7.9
116.98583	9.5
119.01175	2.4
119.01927	33.4
126.98715	4.4
127.03928	30.1
127.04869	4.8
128.04240	2.7
128.98550	6.4
129.04019	2.4
129.10199	7.8
130.06490	5.8
130.08618	2.6
131.01917	13.2
131.06866	4.6
133.03448	20.1
133.06047	2.2
134.99635	2.9
136.06189	2.1
137.02904	4.5
137.05954	3.6
142.03465	3.3
143.00128	4.5
143.01830	8.6
144.99828	16.5
145.03456	6.5
145.05011	11.9
146.99622	4.0
147.05016	3.1
149.01279	3.1
149.02962	3.3
155.01848	5.0
155.08080	3.2
157.03445	5.1
158.99657	7.8
159.01321	6.5
159.04939	2.4
161.01279	5.1
161.02911	14.6
161.51430	2.5
163.02687	3.3
168.99785	7.4
170.99661	2.9
171.01396	3.2
172.99303	6.2
173.02953	12.5
174.02979	3.0
175.00928	3.4
175.02563	2.5
175.04463	6.3
177.00778	4.1
177.02412	7.4
177.04013	3.5
183.05022	3.3
185.02995	4.4
187.00891	16.8
187.04448	2.5
189.00771	3.9
189.02446	5.7
189.06137	3.5
191.00398	3.2
191.03885	7.9
192.05481	2.3
195.08467	3.3
196.99231	3.0
199.00876	5.4
200.04474	4.4
201.00652	5.7
201.02440	5.3
201.04208	3.5
203.03931	9.1
203.07544	4.2
203.53714	4.0
203.55542	5.6
203.57582	4.5
204.04045	2.8
204.07423	16.9
204.57513	2.4
205.00140	2.6
205.01884	8.7
205.03743	2.7
212.57658	2.8
212.98839	2.9
213.07849	4.3
213.12349	2.4
215.00415	13.5
217.01863	8.9
217.05449	2.7
219.01674	7.2
219.03456	4.6
221.05058	7.4
222.10060	3.3
223.02849	4.6
225.02475	2.8
227.00307	3.7
229.01875	6.4
229.04900	2.8
231.03535	2.8
233.01424	2.8
237.02762	9.1
245.01454	5.3
245.05084	6.1
247.02966	13.3
254.99898	4.2
256.04727	2.5
262.09525	4.6
263.06030	6.5
265.03964	5.2
272.06476	6.1
273.00897	3.7
273.08228	3.2
294.09891	3.5
301.00345	8.1
315.01904	14.8
333.02802	6.3
333.10211	4.7
343.01334	8.0
343.07883	2.4
357.08484	4.4
361.02335	5.3
375.06979	8.7
375.10477	100.0
375.22693	7.2
376.10263	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	374.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.2
68.42454	0.9
69.03430	3.8
69.50349	3.7
69.50774	2.3
70.08970	0.8
79.05462	1.4
81.03421	1.8
85.02910	10.6
88.10693	0.7
97.02877	2.4
103.05464	9.6
105.07040	3.2
107.04959	12.1
108.65668	0.9
109.02850	1.3
113.48878	0.8
117.07016	1.1
120.05720	1.5
121.06493	1.2
127.03947	1.2
127.48782	0.9
131.04939	2.4
135.08055	9.2
139.03928	6.4
141.04947	0.9
145.04974	3.1
145.07596	1.3
149.06055	0.9
151.18782	0.8
154.06261	46.5
163.07552	37.4
164.62172	0.7
166.01802	0.9
167.07005	2.3
180.07681	9.5
195.10175	100.0
359.63361	0.9
375.19968	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	374.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53455	1.1
56.14734	1.2
56.96304	1.8
56.96565	22.0
57.07080	2.1
58.75423	1.3
70.06593	3.1
71.07682	2.1
71.95251	4.4
84.73499	1.1
84.96056	2.2
88.07626	1.9
94.41118	1.2
97.96820	3.7
105.00164	1.8
110.97574	12.7
114.09193	1.7
115.97832	2.2
116.28255	1.3
128.98622	12.2
130.56197	1.1
132.10184	5.1
143.00133	1.5
146.99632	3.5
150.11263	5.1
161.01277	1.4
199.06435	1.3
215.11342	1.8
230.11356	1.5
263.09644	5.3
265.11066	1.3
303.12784	3.2
315.16299	59.1
331.15854	2.2
333.17355	100.0
334.17853	2.3
343.91049	1.3
351.18347	18.9
356.18912	16.6
374.20010	2.4
374.26938	2.2
374.36292	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	374.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
56.96556	2.9
57.03420	1.5
61.02929	1.2
68.30408	1.2
69.03436	6.0
69.68910	6.5
71.05004	1.2
81.03410	3.5
85.02911	15.1
89.06039	50.3
96.04500	1.6
97.02886	4.8
98.20824	1.7
98.97571	4.2
99.04478	1.7
107.04952	3.7
107.07058	3.2
109.02914	1.4
110.97591	2.0
116.98621	1.2
124.03960	2.1
127.03930	3.1
130.06541	38.1
131.04893	1.2
133.08604	19.1
137.06007	7.1
138.06322	3.4
145.04977	1.8
147.04416	1.7
148.07616	2.6
151.07535	1.4
151.09659	2.2
158.06027	2.5
158.99727	1.4
163.03899	2.9
176.07082	7.8
177.00768	1.6
177.11205	3.4
194.08127	14.1
195.12296	100.0
196.12646	1.5
203.07324	1.3
221.05096	1.7
237.02849	2.8
285.08252	1.4
333.08698	1.2
357.08270	1.5
374.14679	5.4
374.18631	4.3
375.12784	2.4
375.16403	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	373.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.1
55.82888	1.9
57.03415	2.1
66.00461	2.0
67.05518	13.9
69.03429	10.7
69.07080	10.1
70.98634	4.6
71.04987	7.5
73.06946	1.8
76.23796	2.1
79.05475	6.0
81.03426	4.0
81.07065	13.6
83.04986	4.6
83.08607	4.5
85.02915	20.4
85.06539	8.7
91.05485	4.6
93.07030	11.0
95.04993	2.6
95.08624	19.2
96.04401	2.0
97.02909	6.4
97.06534	2.1
98.97546	3.4
99.04460	17.2
99.08059	3.3
99.18056	2.0
105.07074	4.5
107.04999	2.5
107.08616	13.3
109.02934	3.4
109.06497	6.4
109.10170	39.0
113.09684	3.3
119.08580	13.6
121.10136	8.5
123.08083	5.0
123.11677	6.1
125.09600	3.0
127.03942	6.4
133.10170	12.3
135.11713	38.5
137.05984	16.0
137.09615	8.8
137.69289	1.9
139.11208	3.3
145.04976	4.2
149.13280	3.8
151.11179	4.5
151.14803	5.2
165.16444	3.0
167.07018	3.0
175.14854	21.1
177.05539	2.4
179.00624	2.0
191.14282	2.4
193.15942	27.0
208.84464	2.2
209.15370	5.8
210.15796	3.3
211.17007	57.9
212.17551	1.9
214.92294	2.2
242.16609	2.2
268.58102	2.1
274.33383	2.1
314.04483	2.2
373.14682	4.7
373.18350	100.0
373.21777	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05507	10.9
67.05503	16.9
69.03419	9.8
69.07066	10.2
71.04963	3.4
79.05499	4.1
81.03426	3.9
81.07061	16.9
83.04976	10.1
83.08630	4.4
85.02909	23.2
85.06541	3.7
86.31679	3.0
93.07037	6.6
95.08613	41.4
97.02894	5.4
98.20815	9.0
99.08096	4.5
105.06994	5.0
107.08572	18.4
109.02899	4.4
109.06530	8.1
109.10155	89.8
119.08573	36.7
121.10154	11.9
123.08059	13.3
123.11708	3.1
133.10143	19.5
135.11703	90.3
137.09598	15.1
145.05002	4.2
149.13264	4.4
151.11198	8.8
151.14818	12.5
165.16354	3.6
167.42929	3.2
175.14828	43.7
181.15845	3.0
193.15894	60.1
211.16939	100.0
332.32315	3.4
391.98465	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	373.2585
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
51.02372	1.6
52.02330	1.0
53.03941	4.0
55.01864	2.6
55.05513	16.2
56.96569	8.5
57.03426	3.6
57.07076	1.6
58.97060	0.9
59.55485	1.0
61.02919	3.9
65.03938	1.4
67.05180	1.1
67.05508	13.8
69.03432	7.4
69.07065	16.5
70.95226	1.0
71.04995	9.0
71.54797	1.1
72.33895	1.0
73.02897	3.8
77.03907	0.9
79.05503	19.3
81.03431	8.9
81.06595	1.5
81.07060	28.1
83.04973	5.3
83.08620	4.8
84.96108	0.9
85.02901	5.1
85.06531	1.6
91.03976	1.6
91.05482	17.0
93.07050	22.5
95.04972	9.8
95.08613	16.0
97.02912	5.8
97.06532	7.1
97.10178	22.1
98.97572	3.9
99.04457	3.2
99.08077	1.1
101.02378	1.3
103.05493	1.1
105.03394	15.6
105.04496	2.8
105.07047	13.9
105.07715	1.9
107.04960	100.0
107.08591	14.9
108.05270	1.2
109.02829	1.8
109.06514	3.9
109.10152	11.8
111.04395	1.2
111.08054	2.6
111.11745	1.5
116.98632	2.1
117.07006	2.5
119.08554	9.7
121.02862	3.5
121.06515	2.4
121.10165	19.1
122.03602	2.3
123.04433	1.1
123.08054	3.1
123.11710	5.2
125.09665	5.6
127.03922	4.3
130.07765	1.4
131.04918	2.3
131.08537	3.4
133.10167	8.2
135.04414	1.4
135.07994	1.8
135.11700	8.7
137.05992	28.8
137.09604	3.2
139.03914	1.3
139.11169	3.9
141.09160	1.2
143.08527	1.5
143.10663	4.3
145.04930	1.3
145.10117	5.7
147.04410	3.3
147.11690	6.6
149.05997	1.6
149.09607	2.4
149.13258	3.8
151.03870	2.1
151.07503	3.6
151.11189	3.6
153.12767	2.3
157.10152	2.9
159.11699	4.0
161.09598	1.4
161.13277	1.6
163.03934	1.6
163.07574	1.5
163.11159	6.3
163.14888	1.6
164.07068	1.3
165.12778	2.6
167.07066	4.8
173.13202	1.6
175.11215	3.0
175.14810	1.2
177.05490	1.7
177.09074	3.6
177.12764	2.0
181.12251	5.2
185.04826	2.7
185.13187	1.2
189.09317	1.8
189.11137	1.3
193.12195	6.0
201.05547	1.4
207.13913	1.1
211.13289	7.5
219.06552	1.6
231.06885	2.1
243.08852	1.5
249.07932	3.3
267.09024	20.6
268.09381	1.5
275.20142	2.5
285.10089	32.3
285.17010	4.4
286.10477	2.3
288.14145	2.3
289.21765	1.3
291.23178	1.9
293.21094	10.3
299.11694	2.3
301.21613	6.8
303.11206	1.5
305.11618	2.5
307.22662	3.0
308.11703	3.9
319.22647	6.4
337.23898	2.9
355.15182	1.7
357.15768	1.5
364.16284	1.5
373.12637	1.2
373.20007	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57786	0.5
55.01865	0.7
57.03424	1.2
61.02920	1.3
68.55296	0.5
69.03436	4.6
69.35329	4.5
73.02888	0.7
77.97282	0.5
79.39358	0.5
81.03404	2.2
84.08134	1.0
85.02910	17.3
86.89458	0.5
88.82625	0.5
89.03914	3.4
91.03951	1.3
91.05472	1.9
92.98043	0.5
97.02899	5.2
98.97611	0.7
99.04448	1.0
107.04967	1.0
109.02882	1.3
117.03389	13.2
119.04893	0.8
121.06519	0.6
127.03906	3.5
127.09615	0.5
134.03618	1.3
135.04390	1.6
136.06187	0.7
137.06006	1.0
143.44019	0.6
145.02852	38.4
145.04948	3.6
147.04391	1.3
149.05980	6.4
162.03108	0.9
163.03882	2.9
177.05479	100.0
178.05786	1.3
180.08670	1.8
186.05501	1.0
195.06543	53.9
212.13005	0.6
291.59775	0.6
359.80902	0.5
374.14664	1.3
374.18729	16.9
375.16254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1837
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.05522	0.4
67.05482	0.9
69.03433	0.9
69.07079	0.5
70.06575	0.4
71.04998	1.1
71.54207	0.4
71.54642	0.4
72.08141	0.7
77.62373	0.3
79.05495	0.5
80.14738	0.3
81.03444	0.6
81.07036	0.7
84.08121	0.3
85.02900	1.0
86.09707	0.8
89.06039	0.5
91.05473	2.5
92.15521	0.3
95.04976	0.8
95.08627	0.4
97.02867	0.5
98.97617	0.5
99.08096	0.4
105.07027	0.7
107.04983	0.8
107.08627	0.7
108.04485	0.9
109.02914	0.5
109.06512	0.5
109.10147	0.6
111.08080	1.1
117.07020	0.5
119.08578	0.5
123.04449	0.4
127.03922	0.4
129.10286	0.3
133.10152	1.3
137.05986	5.2
149.05942	0.4
150.49879	0.3
151.07501	0.4
163.07571	0.4
168.06505	0.5
175.07660	0.4
177.05383	0.5
177.09111	0.5
193.12079	0.5
201.05464	0.5
206.08246	0.4
211.13126	0.8
213.09021	0.4
268.53387	0.3
313.11273	0.4
315.14191	1.1
323.09427	0.4
329.15756	0.5
355.11658	0.7
373.14523	10.9
373.18433	100.0
374.18802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
54.73973	0.6
55.05502	1.8
56.96561	1.0
57.03435	1.3
57.07061	1.0
61.02922	0.6
66.82122	0.6
67.05499	1.7
69.03434	4.5
69.07089	0.6
69.13737	0.6
69.56570	3.8
71.04984	2.5
72.17271	0.5
73.02900	1.2
75.04472	1.0
75.45129	0.6
79.05494	8.4
81.03412	4.1
81.07048	2.7
83.04990	1.1
85.02897	4.7
85.06544	1.6
87.04456	1.2
91.05479	5.4
93.07046	24.2
95.04955	1.1
95.08601	2.3
97.02906	2.9
97.06483	0.8
98.97583	2.1
99.04418	1.0
105.07016	3.1
107.04977	1.0
107.08606	6.0
109.02877	1.8
109.06535	0.5
109.10169	1.0
111.08056	1.4
116.98674	0.8
117.06983	0.7
119.08590	7.9
121.06519	0.9
121.10146	24.6
123.11716	1.5
127.03930	2.4
131.08578	1.3
133.10109	1.1
137.02332	0.7
137.05949	4.5
139.11154	0.6
147.11703	1.3
149.09624	6.8
153.05479	1.9
157.10036	0.6
159.33879	0.6
167.07085	1.1
167.10674	7.1
175.14838	1.6
193.12300	1.6
211.13335	1.8
228.07248	0.6
238.18817	0.6
248.19746	0.6
293.13818	3.4
311.14951	1.8
313.11295	0.7
355.17648	1.1
373.18393	100.0
374.18808	1.3
391.16254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63297	0.7
53.03949	0.9
56.96590	0.7
65.70347	0.6
66.04687	0.8
66.98135	0.6
67.05498	1.3
67.59216	0.6
69.07053	1.1
71.56908	1.0
78.04685	0.7
79.05489	2.9
79.29020	0.6
81.03388	0.8
81.07060	1.3
83.04976	1.2
85.02877	0.7
91.05492	5.6
94.04179	1.4
95.04962	1.2
95.08604	0.8
97.02898	0.6
104.06283	0.7
105.03431	0.8
105.07047	2.8
107.04976	6.8
107.08589	0.8
108.05764	3.9
109.06522	2.0
109.10130	0.7
117.07040	1.5
119.08564	1.3
121.06514	2.5
121.10210	1.1
122.03654	2.3
123.08082	0.7
124.05225	4.8
132.05692	0.9
133.06458	1.1
134.07208	0.7
135.04384	1.6
135.08083	2.1
136.05208	6.0
137.05984	16.3
137.09641	0.7
138.06769	4.4
139.07552	18.1
147.08049	2.6
148.08879	1.8
149.06015	2.4
150.06776	2.7
151.07558	100.0
152.07909	1.2
155.07085	1.0
159.08095	0.8
160.08855	1.3
161.06087	0.9
162.06836	1.0
164.08353	4.2
165.05489	23.8
165.09128	18.3
167.07054	15.5
172.95323	0.8
176.08348	3.7
177.09103	2.2
179.10684	27.8
180.58409	0.6
186.10437	3.6
187.07567	2.5
188.08292	0.7
191.10683	5.3
193.08701	0.9
195.10194	1.4
202.09929	8.0
202.95911	0.6
217.12277	20.2
227.36751	0.6
231.63562	0.7
235.13316	57.4
236.13638	1.1
269.12405	0.9
277.21469	0.6
305.11530	0.9
335.00604	0.8
337.14258	0.8
355.19138	3.1
373.02048	0.6
373.19720	2.2
373.27310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1837
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
54.22838	0.3
54.57704	0.3
55.01880	0.4
55.05509	0.4
56.96571	0.6
59.42661	0.3
61.34785	0.4
69.03429	0.7
70.49165	1.1
74.18655	0.3
80.59979	0.4
84.08145	1.1
85.02895	1.6
91.05434	0.5
93.07056	0.5
95.04964	1.1
98.20705	0.3
98.97598	1.6
107.08600	0.6
109.06528	0.5
110.97598	0.5
113.53494	0.3
116.98660	0.5
121.46406	0.3
122.42329	0.3
129.10239	0.5
133.10146	0.5
137.05971	2.7
151.03880	0.4
177.05463	0.8
191.35692	0.3
193.12051	2.2
194.06924	0.4
195.13553	2.0
201.03755	2.2
203.05276	9.2
211.06122	0.6
237.02829	0.5
253.12793	0.5
271.04752	0.4
357.08694	0.4
373.14764	6.1
373.18396	100.0
374.18759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
55.05510	0.4
56.14629	0.3
56.96568	0.6
61.02928	0.4
69.03419	1.2
69.46354	0.3
69.70361	1.9
70.06596	0.7
71.04977	0.4
72.08134	0.4
79.05487	0.7
81.03409	0.6
81.07069	0.5
84.08137	0.3
85.02920	2.2
86.09701	1.0
91.05465	0.7
93.07065	0.4
95.04947	1.0
97.02891	0.9
98.97591	1.9
99.04389	0.3
105.03381	0.8
105.07037	0.9
107.04956	1.4
107.08627	0.6
109.02887	0.5
110.97578	0.5
116.98643	0.6
117.03323	0.5
119.08677	0.3
120.08067	0.3
121.06526	0.5
122.03686	0.6
123.04421	0.4
124.03899	0.7
127.03920	0.8
130.04974	0.4
133.06499	0.6
135.04414	1.0
135.08072	0.4
136.06184	0.7
137.05981	8.2
143.00174	0.4
145.02858	0.8
147.07707	0.8
149.05995	0.5
151.07509	0.7
158.99730	0.5
161.05998	1.0
163.03923	3.5
164.04218	1.1
165.05557	0.6
167.07021	1.2
177.00764	0.5
177.05508	0.9
177.09061	0.9
179.03467	0.9
181.05013	0.4
198.09155	0.5
211.09457	0.6
219.01680	0.7
219.06876	0.4
233.78989	0.4
237.02827	0.8
241.03752	0.6
281.79126	0.3
301.56519	0.3
373.14664	6.3
373.18378	100.0
374.14362	0.6
374.18704	1.3
389.14648	0.7
399.09207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
50.44044	0.1
51.02376	0.6
53.03947	2.7
55.01866	0.4
59.90113	0.1
61.02914	0.2
69.03440	1.8
71.56798	0.2
77.03922	1.1
79.05497	9.4
80.05830	0.1
81.03410	0.5
81.07036	0.3
83.23617	0.1
85.02903	0.3
91.05492	0.3
93.07033	0.4
95.04973	3.2
95.08591	0.2
97.02880	0.4
105.03398	15.8
105.04431	1.6
107.04959	100.0
108.05265	0.8
109.02888	0.2
109.10159	0.3
119.08649	0.2
123.04423	0.4
127.03922	1.2
131.04982	0.3
133.10152	0.2
135.11697	0.2
137.05992	1.5
145.04985	0.4
147.04428	0.2
151.03911	0.3
158.90100	0.2
167.07076	0.2
177.09113	0.2
189.05476	0.2
231.06595	0.3
249.07616	0.5
267.08691	1.8
390.24283	0.2
393.89993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02375	0.7
53.03949	3.0
55.01868	0.3
57.49736	0.1
69.03441	0.9
71.57277	0.2
77.03918	1.2
79.05497	9.0
81.03420	0.5
85.02922	0.2
95.04976	2.7
97.02892	0.3
105.03397	17.6
105.04422	1.3
106.03719	0.3
107.04958	100.0
108.05292	0.7
109.02879	0.2
121.02822	0.2
123.04454	0.1
127.03919	0.8
131.04872	0.4
137.06065	0.8
145.04959	0.2
151.07500	0.2
151.51964	0.1
189.05479	0.2
211.07555	0.2
231.06429	0.2
249.07475	0.4
267.08655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
51.02377	0.8
53.00304	0.5
53.03958	3.5
55.01859	0.6
55.05506	0.9
56.96562	1.0
57.03416	0.7
62.88573	0.5
65.03930	0.5
67.05495	1.8
69.03416	2.1
69.07063	1.4
71.04983	2.3
71.29721	1.0
77.03922	0.8
79.05491	11.9
81.00416	0.4
81.03404	2.0
81.07044	2.2
83.04959	0.6
85.02904	1.1
85.06558	1.1
91.05484	2.7
93.07059	2.8
95.04984	3.7
95.08590	1.8
97.02898	1.9
97.10142	0.7
105.03394	16.2
105.04511	1.1
105.07024	1.6
107.04955	100.0
107.08604	1.3
108.05370	0.6
109.02899	1.4
109.06512	0.9
109.10165	1.1
110.52072	0.4
111.04475	0.7
119.08614	1.8
121.06541	1.0
121.10147	1.4
123.04407	0.6
123.11771	0.6
125.09622	0.6
127.03935	1.6
129.07010	0.5
131.04938	1.2
131.08559	0.7
133.06494	0.6
133.10129	1.6
135.04413	1.1
135.08006	0.5
135.11673	0.6
137.05981	9.7
145.06496	0.6
145.74171	0.5
147.04422	0.7
147.11711	1.1
149.09692	0.7
149.13170	0.5
151.03951	1.1
151.07533	1.0
151.11180	0.9
161.09645	0.6
162.21275	0.5
167.07079	0.5
173.09612	0.6
175.11211	0.6
177.05495	0.7
177.09109	0.8
193.08588	1.3
193.12244	1.8
201.05478	0.7
211.13287	1.0
211.47635	0.5
267.08765	1.8
267.11313	0.9
305.11633	0.8
313.11880	1.6
325.11020	0.6
327.31375	0.5
355.11658	1.0
373.13727	2.8
373.18823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03953	3.3
55.05514	0.8
55.93148	0.6
56.96566	0.9
57.55696	0.5
61.14225	0.5
67.05502	1.2
67.84273	0.5
68.84546	0.6
69.03432	0.6
69.18051	1.4
69.18459	4.4
77.03941	1.3
79.05497	9.4
81.03403	0.8
81.07040	1.3
85.97794	0.5
91.05479	1.0
93.07056	1.0
95.04969	3.2
105.03397	22.2
105.04531	1.6
107.04961	100.0
127.03942	0.8
137.05981	10.5
151.07565	1.5
177.09056	0.9
192.87181	1.0
194.97409	0.6
228.89302	0.7
267.08664	2.2
305.11737	0.8
332.16351	1.3
333.11737	0.6
333.19122	0.8
337.14398	0.8
350.17242	1.8
371.03473	0.5
373.23584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.7
55.05508	1.4
56.96558	2.3
57.03435	0.6
61.02934	1.0
67.05508	2.3
69.03438	2.8
69.07066	1.6
69.18435	1.8
69.18861	3.6
71.04990	1.1
73.02921	0.6
77.03899	0.6
79.05067	1.0
79.05499	12.3
81.03427	2.5
81.07065	3.1
83.04990	1.1
83.07354	0.5
83.08622	0.7
85.02914	1.9
91.03947	0.7
91.05474	1.7
92.95493	0.5
93.07041	1.8
94.04199	0.5
95.04979	4.1
95.08602	2.1
97.02902	1.7
97.52763	0.5
98.97587	2.5
99.04486	0.7
105.03400	28.1
105.04527	2.1
105.07034	2.1
107.04961	100.0
107.08620	1.2
108.05333	1.0
109.02894	1.2
109.06545	0.7
109.10161	2.2
110.97606	0.5
116.98647	0.8
119.08588	0.8
121.06567	0.7
122.03624	0.6
122.58826	0.6
123.04494	0.8
127.03934	1.6
128.98625	0.6
131.08585	0.6
133.10130	0.8
135.11676	0.9
137.05986	12.5
143.00148	0.6
145.10107	0.7
147.07980	0.6
147.11687	0.8
151.07549	1.4
158.99664	0.9
169.01807	0.5
177.09088	1.5
185.01213	1.0
193.12267	0.7
204.06664	0.5
211.13292	0.5
229.07510	0.9
231.06494	0.6
243.09050	1.0
243.27359	0.5
247.08646	0.6
249.07724	0.6
251.08781	0.8
255.09067	0.8
259.08578	0.7
267.08838	3.0
269.10477	0.7
273.10199	0.6
274.09836	0.6
275.05930	1.1
285.10165	1.7
289.14606	0.6
292.12637	1.5
305.11804	1.0
348.15067	0.7
373.16553	0.6
373.20340	1.1
373.70703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
53.03948	3.6
56.96565	1.0
60.17027	0.4
64.86973	0.4
65.59975	0.4
67.05516	0.5
69.03418	0.8
69.07050	0.4
71.17205	0.5
71.17558	0.9
77.03934	0.7
79.05494	7.7
81.03436	0.5
81.07054	0.8
82.84697	0.4
85.02904	0.4
91.05532	0.8
95.04977	3.3
97.02917	0.5
98.97574	0.5
105.03398	23.3
105.04524	1.9
105.06978	0.6
107.04960	100.0
108.05293	0.9
137.05988	5.6
142.86067	0.4
151.07520	0.7
183.43173	0.4
214.66524	0.4
247.96216	0.5
249.07585	0.6
258.42154	0.4
267.08740	1.6
283.17917	0.6
285.10284	0.6
293.15894	0.5
313.22464	0.6
337.14291	0.5
373.20441	0.5
373.24588	1.8
374.20810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78767	0.4
56.96489	26.0
56.96804	4.2
69.07013	0.6
70.33997	0.6
70.34379	0.8
71.95178	4.7
72.95984	1.0
74.97556	0.9
79.05402	14.8
79.05901	1.3
81.06981	0.7
84.95947	1.5
87.04383	1.5
91.05463	2.2
97.96724	1.2
98.97588	2.0
103.00679	0.8
105.00069	1.6
105.06934	1.6
107.08590	2.7
108.29417	0.4
110.97565	6.2
110.98716	0.5
115.00590	1.5
116.98511	1.4
123.01125	1.2
127.00648	0.6
128.98615	5.8
129.02170	0.9
131.00136	0.5
133.01646	0.8
137.02670	1.0
137.05891	0.6
141.02170	0.8
143.00151	1.0
145.01639	0.6
146.99698	2.9
147.03215	0.7
151.00606	1.0
151.04260	0.6
152.00117	0.6
153.02145	2.0
155.00232	0.4
155.03802	2.2
157.01724	0.8
159.03214	1.0
165.02155	0.8
167.00143	0.5
167.03767	0.9
169.01685	1.2
169.05409	0.8
171.03308	4.2
173.04890	5.4
175.02783	1.0
177.05763	0.6
179.03714	0.7
181.01678	0.6
181.05275	1.4
183.03262	1.0
183.06845	0.7
184.04041	1.2
185.04843	4.0
187.02710	0.7
189.04443	2.3
189.07906	0.7
191.05867	2.2
195.06917	1.0
197.04814	0.8
197.08504	1.0
199.02673	1.3
199.06435	4.6
201.04306	0.8
201.07912	1.9
202.05093	1.0
203.05928	3.8
205.01781	0.5
205.05392	0.8
205.07306	0.9
207.03221	1.3
207.06931	0.8
209.04800	0.7
211.02718	0.7
211.06371	0.5
213.04240	1.3
213.07832	1.2
214.05045	0.6
215.05795	0.7
215.09485	0.8
215.28651	0.5
217.07513	3.3
217.11034	0.4
219.08998	1.3
221.04866	0.7
223.02673	1.1
223.06310	0.9
225.04401	5.2
225.07896	1.8
227.05823	1.9
229.07382	1.6
237.04320	0.7
237.08014	1.0
239.05803	0.8
241.07359	1.0
243.05293	0.8
243.09059	11.4
245.06923	1.3
247.08553	1.4
248.05826	0.5
253.07449	1.4
255.09052	3.3
261.10184	5.1
263.09723	0.4
265.11057	0.5
266.10623	1.8
267.08963	0.9
268.09952	2.4
269.10635	0.5
273.10071	1.5
281.10562	3.3
283.12112	0.9
286.10736	0.6
299.11581	0.5
301.11078	1.0
301.14639	0.6
307.15714	1.1
308.54742	0.6
313.14709	1.4
319.12170	1.3
329.14246	2.0
331.15811	100.0
332.16226	0.9
347.15265	1.6
349.16876	87.7
350.17218	1.5
351.17569	0.6
354.17401	0.6
367.17999	6.8
368.65704	0.5
372.18484	31.5
372.30731	0.8
372.34772	0.6
373.18860	0.9
390.19461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01870	4.7
55.05503	3.5
56.66802	1.4
56.96560	6.6
57.03439	2.8
57.07072	1.8
59.04991	2.6
61.02916	4.6
65.03925	1.8
67.05502	11.1
69.03439	12.9
69.07076	7.6
69.79665	8.0
70.06596	3.6
71.04993	5.8
73.02896	2.4
73.04760	2.4
79.05473	7.2
81.03422	6.6
81.07064	13.1
83.01370	1.6
83.04986	5.5
83.08620	8.4
84.08118	1.5
85.02908	38.5
85.06546	3.4
89.03904	2.4
91.05388	9.0
91.05930	2.0
93.07079	10.4
93.57824	1.6
95.04970	7.9
95.08615	6.0
97.02895	16.3
97.06538	34.8
98.20826	2.0
98.97584	9.7
99.04479	3.6
101.06031	2.2
105.03404	6.1
105.07039	17.5
106.64368	1.4
107.04980	6.3
107.08604	19.5
109.02853	4.2
109.06522	100.0
109.10159	48.1
111.04476	2.3
111.08103	2.1
116.98679	3.5
117.07024	3.4
119.04972	1.8
119.08601	6.1
119.38538	1.3
121.02921	1.7
121.06499	2.5
121.10150	16.8
122.06079	1.6
123.08044	7.4
123.11684	4.0
127.03920	9.8
128.98653	1.4
129.05519	2.5
131.08575	15.8
133.06450	2.0
133.10135	50.6
133.11093	3.1
135.08055	22.2
135.11700	2.4
137.02374	6.1
137.05994	4.7
145.02843	2.4
145.04947	7.5
145.10155	5.8
147.04454	1.8
147.06450	1.6
147.11678	2.7
149.09647	3.7
149.13235	3.4
151.03886	3.5
153.09097	9.1
158.10872	3.7
158.99702	2.9
163.03885	10.7
163.11272	1.6
163.14861	3.3
167.07152	2.6
173.13275	23.9
173.14664	2.2
191.03516	2.0
191.14310	96.3
193.05054	1.6
193.08650	1.9
203.05301	4.4
209.04451	12.9
209.07799	2.0
209.15358	17.5
213.07639	2.3
217.07025	1.9
219.01793	3.8
237.02922	2.2
238.43822	1.7
268.98007	2.5
285.01041	3.2
371.05774	5.1
371.12814	17.8
371.16891	97.0
387.48495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03946	1.5
55.01866	1.3
55.05505	4.7
57.03426	2.4
57.07067	3.1
59.04996	1.0
67.05499	3.3
69.03442	11.1
69.07076	6.0
69.76045	2.4
69.76463	2.1
71.04990	2.2
78.77658	0.7
79.05500	4.8
80.03190	0.7
81.03428	4.3
81.06592	1.1
81.07063	16.8
83.04987	7.2
83.08625	10.7
85.02908	16.5
85.06535	1.4
91.05462	2.6
93.07047	8.1
93.96234	0.7
95.04962	8.4
95.08601	5.2
97.02885	6.1
97.06514	2.6
98.21510	1.0
99.04475	4.7
99.08092	0.9
103.03959	1.7
105.07042	4.3
107.04934	1.2
107.08598	9.0
109.02895	10.5
109.06516	11.0
109.10158	7.7
111.04428	1.3
111.08094	3.4
113.05973	1.0
117.07074	0.7
119.08593	3.9
121.10156	11.2
123.08064	2.1
123.11725	4.5
125.05986	1.1
125.09673	2.1
125.13268	1.9
127.03933	10.5
129.05513	1.2
131.08582	1.2
133.10155	8.9
135.08087	2.2
135.11696	2.8
137.09561	1.1
139.03937	1.0
139.11191	1.5
145.04970	2.6
145.10092	1.5
147.04411	0.8
147.08054	1.1
147.11697	1.6
149.05925	0.9
149.09625	1.6
149.13281	8.5
151.11183	4.8
151.12308	0.9
153.09071	4.3
163.14822	4.1
167.07033	2.9
167.14319	10.2
169.12257	1.7
171.10144	2.5
173.13339	4.8
181.12184	1.6
185.25362	0.7
187.06015	2.1
187.11188	0.8
191.10576	4.6
191.14317	11.0
203.05235	5.1
205.07100	4.8
209.15356	17.1
233.15443	1.2
335.18643	0.9
353.15738	1.6
353.19666	1.8
371.16794	100.0
371.20380	5.0
372.17047	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03936	2.4
55.01870	3.3
55.05509	2.2
57.03414	1.4
57.07071	0.8
61.02921	2.0
67.05501	2.3
69.03436	6.2
69.07072	14.1
70.17159	3.9
71.04995	1.9
79.05476	3.4
80.52663	1.0
81.03410	3.0
81.07058	2.9
83.04989	2.1
85.02910	9.3
91.05483	7.7
93.07059	11.6
94.04182	1.3
95.04964	2.3
95.08607	3.0
97.02887	3.5
97.06538	2.1
98.20831	1.0
98.97579	1.2
99.04482	1.2
103.05463	1.2
105.00467	0.9
105.07027	4.3
107.04951	2.3
107.08604	12.3
109.02877	1.9
109.06509	2.7
109.10152	1.9
111.08047	1.4
117.06989	1.0
119.04920	0.9
119.08580	3.2
120.88486	0.7
121.06512	15.0
121.10146	11.0
122.03660	1.7
123.08058	2.6
125.09521	0.8
127.03918	2.5
128.06218	0.9
129.07013	2.4
131.04922	2.0
131.08574	6.4
133.10129	8.9
135.08063	6.5
135.11681	4.3
137.05988	14.9
137.09583	1.0
141.06969	1.4
143.08612	1.0
144.05719	1.1
145.10147	2.7
147.04407	3.0
147.11691	31.8
149.09634	5.6
149.13251	7.1
151.07600	1.5
151.11220	1.9
153.09161	0.9
156.05719	3.9
158.10875	1.0
159.08084	2.8
161.05986	0.9
161.09621	3.6
163.11163	1.2
163.14809	2.2
164.67494	1.0
165.09160	1.1
165.12793	1.2
166.97543	0.9
167.07101	6.5
172.05098	1.2
173.13307	7.5
174.06865	0.9
175.07536	2.2
176.11989	1.2
177.05525	1.1
184.05318	0.8
187.07545	2.9
189.09140	0.9
191.14314	100.0
191.77728	0.8
192.14661	1.4
202.06218	1.2
203.08618	1.3
205.08432	0.8
206.07317	0.9
209.15410	4.6
217.08600	14.3
218.07315	2.2
219.10089	2.3
221.09691	2.1
223.07372	0.9
229.08702	1.0
231.08250	1.2
233.09602	2.8
234.06767	1.7
235.07520	2.5
238.09813	1.4
239.07021	1.2
247.07449	1.7
247.09698	3.6
249.09161	4.3
251.07076	1.5
261.09052	2.9
263.06992	1.3
266.09238	1.0
269.08194	1.2
277.08582	3.1
278.09351	1.7
281.11609	1.0
285.07587	2.4
291.10190	1.2
293.08249	1.2
293.11691	2.7
300.09882	3.2
301.10535	1.4
306.08914	1.0
307.09415	1.4
309.11182	3.9
314.41135	0.8
321.11246	3.9
323.09152	1.7
326.11530	4.1
338.11591	1.2
339.12213	2.9
341.13928	4.3
353.13791	7.9
371.16251	3.6
371.20560	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	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03938	5.1
54.17967	1.2
55.01862	5.3
55.05509	2.4
56.96576	2.1
57.03428	6.2
57.07072	2.0
61.02929	8.0
64.92026	1.3
67.05511	5.6
69.03083	2.4
69.03435	28.7
69.07069	9.2
69.75602	5.5
69.76017	2.9
71.04984	5.9
73.02901	5.6
79.05489	6.6
81.03427	13.0
81.07071	8.6
83.04981	2.1
83.08642	1.4
85.02909	66.4
87.04470	3.7
91.03958	5.3
91.05475	8.0
92.71640	1.4
93.07028	7.8
95.04970	15.5
95.08610	7.9
96.74046	1.3
97.02889	21.4
97.06547	5.8
98.21432	1.7
98.97605	2.5
99.04469	5.1
105.07032	15.1
107.04983	2.5
107.08594	16.6
109.02882	7.7
109.06522	28.2
109.10155	8.8
111.04449	1.3
111.08073	2.1
111.69360	1.4
117.06989	2.3
119.08588	6.2
121.06505	5.2
121.10152	5.0
122.07310	3.7
123.04472	4.9
123.08088	17.0
123.11681	1.3
124.05227	8.4
127.03928	21.1
129.07024	1.6
131.08559	16.2
133.10133	48.5
135.07016	1.5
135.08057	30.0
135.11710	3.4
137.05984	7.1
137.09613	2.1
139.07541	9.2
139.11247	1.8
145.04967	29.7
145.06136	1.7
145.10191	6.4
146.05281	1.3
147.04410	2.7
147.11684	5.8
149.09650	3.4
149.13303	4.9
151.03949	4.1
151.07578	3.2
152.04680	1.6
153.09151	1.8
156.05692	2.6
158.10909	2.5
159.08041	2.2
159.11713	1.8
161.13332	1.5
163.06032	3.3
163.11208	3.5
163.14824	2.0
165.12761	43.2
167.07013	10.3
173.13264	20.3
175.07629	1.7
175.11218	1.9
175.14824	3.7
176.11626	3.6
177.12814	1.7
191.14311	100.0
192.14595	2.6
193.12294	4.8
193.15836	6.6
207.13782	1.7
209.04575	2.2
209.11781	23.6
209.15381	21.3
217.08690	6.6
219.10107	1.8
241.08325	1.4
249.09164	1.5
255.06479	1.7
279.10178	1.8
285.07449	3.4
293.11618	2.3
321.11304	3.7
326.11472	1.5
327.18039	2.1
339.12274	2.4
353.13800	3.3
371.15335	4.6
371.20703	49.7
372.21237	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30688	2.0
55.05503	5.6
57.03453	3.2
59.05006	2.5
67.05499	5.3
69.03420	9.2
69.07075	11.5
70.67005	7.0
70.67372	2.9
71.04989	5.7
72.85744	2.4
79.05514	5.1
81.07053	10.4
83.04994	12.3
83.08614	4.5
85.02915	12.0
86.59279	2.5
93.07053	7.9
95.04955	8.9
95.08605	21.4
97.06546	5.8
98.97579	3.2
99.08103	6.8
105.07029	7.9
107.08593	35.0
109.06522	10.8
109.10159	21.8
111.08103	3.1
111.59097	2.3
119.08597	5.4
121.06483	5.5
121.10147	38.1
123.08049	5.4
123.11749	4.4
125.09641	16.2
127.03922	3.3
131.08589	3.8
133.10146	12.1
135.08051	10.2
135.11653	7.1
137.09622	7.7
139.11165	5.2
145.10161	3.2
147.11711	12.4
149.09624	12.7
149.13269	25.5
151.11198	98.2
152.74852	2.3
153.09096	5.2
163.14845	14.1
165.12752	7.7
173.13278	16.0
191.14325	100.0
192.14688	2.9
209.15384	83.9
342.10001	2.8
371.14328	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05504	1.0
57.03428	0.4
57.44810	0.2
61.02920	0.5
67.05483	0.4
69.03432	1.6
69.89146	1.3
71.04983	0.6
73.02940	0.3
79.05499	1.0
81.03415	1.0
81.07058	0.6
83.04978	0.6
83.87730	0.3
85.02911	5.2
85.03403	0.2
85.06549	0.4
91.05477	1.1
93.07050	2.4
95.04987	0.3
95.08596	0.8
97.02903	1.3
97.06561	0.4
98.97576	0.5
99.04501	0.3
101.06039	0.3
101.25629	0.2
105.07041	1.8
107.04943	0.5
107.08594	0.6
108.25863	0.2
109.02902	0.5
109.06526	0.4
111.08089	0.6
116.98635	0.2
119.08596	0.4
121.10136	3.0
123.04419	0.3
123.08025	0.4
127.03916	0.9
131.08598	0.5
133.10083	0.6
135.08032	0.7
137.05974	0.5
137.09607	2.0
145.04944	0.6
145.10167	0.2
146.07219	0.4
147.04390	0.3
149.09625	100.0
150.09933	1.2
159.08090	0.3
161.05972	0.3
161.09653	0.7
163.11127	0.4
167.07120	0.5
173.13300	0.4
187.07603	0.8
191.10666	2.5
191.14310	7.2
209.15370	16.1
219.04672	0.3
225.81903	0.3
292.27832	0.3
326.52386	0.3
353.13245	0.4
371.16394	2.2
371.21252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63616	2.5
54.92910	2.8
62.32989	2.2
67.05492	3.2
69.03430	6.8
69.07079	3.1
71.11679	4.7
79.05500	5.8
81.07075	8.2
85.02899	6.6
85.44599	3.0
91.05470	4.9
93.07031	6.4
95.08620	3.7
97.02937	3.6
105.07036	7.7
107.08578	18.2
109.06523	20.1
109.10165	10.6
117.07038	4.5
121.10162	12.0
122.07295	4.0
123.08082	4.0
126.53108	2.7
128.72562	2.5
131.08583	4.0
133.10138	100.0
135.08057	17.6
135.51604	2.7
137.09615	46.0
149.09569	2.5
149.13266	13.4
156.02107	3.2
167.07111	3.4
167.10718	4.7
173.13232	6.7
191.14302	51.9
209.15370	19.3
224.72881	2.8
272.28220	2.5
358.22375	2.8
370.73654	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03932	1.4
55.01865	1.0
55.05502	1.3
57.03426	1.9
57.07073	0.6
59.04993	0.7
61.02932	2.7
61.33502	0.3
67.05509	1.9
69.03433	12.3
69.07051	1.4
69.38670	2.3
71.04988	2.0
72.35388	0.4
72.66775	0.3
73.02900	0.9
79.05498	2.2
81.03418	6.5
81.07053	3.7
83.01318	0.4
83.04996	2.4
83.08615	0.6
85.02907	24.9
87.04456	0.7
91.03935	1.3
91.05461	1.6
93.07041	1.9
95.04975	2.7
95.08610	3.9
97.02896	7.7
98.97604	0.9
99.04458	1.4
99.08075	0.7
103.05484	0.4
105.07035	3.4
107.04298	0.4
107.04932	2.2
107.08597	6.4
109.02879	2.9
109.06519	5.2
109.10157	2.2
111.08153	0.4
115.05424	0.7
119.08598	2.4
120.09376	0.4
121.06481	0.8
121.10144	8.6
121.52251	0.3
122.07271	1.4
123.04402	0.5
123.08092	4.3
123.11686	2.4
127.03920	5.2
129.07024	0.6
131.08586	1.3
133.10138	2.4
135.08066	2.2
135.11720	0.7
137.06018	0.7
137.09625	9.6
137.13255	1.0
137.16592	0.4
141.65239	0.3
145.04965	6.3
145.10091	0.5
147.04347	0.4
147.11668	2.0
149.09619	7.4
149.13258	4.4
151.03915	0.4
151.09966	0.8
151.11192	15.7
158.10901	0.6
159.08046	0.7
161.05948	0.8
163.05977	0.6
163.14838	0.6
165.12759	38.4
167.07037	8.7
173.13280	2.2
175.07509	1.9
187.07550	2.4
191.06932	0.4
191.14310	11.5
193.15906	1.8
199.07549	0.9
209.15370	100.0
210.15700	1.8
219.01781	0.5
221.09669	0.5
240.83014	0.4
249.09140	0.9
261.08899	0.4
277.08511	0.5
281.11694	0.9
309.11160	1.0
321.10962	0.6
341.13861	1.1
353.13992	0.5
371.16553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01874	1.9
55.05513	1.4
56.96562	2.0
57.03438	1.7
57.07074	1.0
59.05002	0.6
61.02932	1.4
67.05499	2.7
67.68939	0.6
69.03434	6.1
69.07063	1.5
70.06580	1.4
71.04990	5.1
71.53884	0.6
73.02915	1.5
73.04742	0.6
74.22431	0.5
79.05486	2.3
81.03429	3.0
81.07049	3.1
83.04974	2.3
83.08597	1.1
84.96043	0.6
85.02906	11.2
85.06544	1.6
89.06061	0.7
91.03943	0.8
91.05428	1.1
93.07058	4.0
95.04969	100.0
95.08609	1.6
96.05293	0.7
97.02888	4.4
97.06532	1.7
98.97595	3.9
99.04454	21.5
101.06033	0.7
105.03392	1.2
105.07055	2.1
107.04962	2.3
107.08594	2.3
107.17303	0.5
109.02883	2.1
109.06540	2.0
109.10148	2.0
111.04449	0.7
111.08097	1.2
114.28029	0.6
116.98632	1.2
119.08566	1.1
121.10159	5.7
123.04446	1.0
123.11682	0.7
127.03925	2.7
129.05496	1.1
131.04951	0.8
131.08563	1.5
133.10143	5.1
135.04413	0.9
135.08054	1.5
137.06000	2.0
137.09619	1.1
139.03940	1.0
139.11176	2.3
141.12741	0.9
145.02837	1.0
145.04976	2.0
147.04436	1.3
149.09679	0.7
149.13225	1.2
151.03880	0.8
151.11220	1.7
153.05591	1.3
153.09106	29.9
163.03934	3.1
163.14836	1.0
167.07039	1.4
167.14311	1.4
170.09688	0.8
173.13223	4.3
177.00697	1.1
177.05453	1.5
191.10539	1.3
191.14316	4.4
193.15846	0.8
198.09210	0.8
203.03572	0.7
203.05307	2.2
209.04529	2.1
209.08147	0.9
209.10039	0.9
209.15366	34.2
217.05118	0.8
219.01743	1.1
219.06718	0.8
227.05948	0.6
237.02878	1.6
237.68987	0.6
239.08205	1.9
285.01065	1.0
304.76294	0.5
329.05505	1.6
355.07071	1.0
371.13293	5.2
371.16818	86.3
372.17209	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.3
53.12873	1.0
55.01884	1.1
55.05505	1.6
55.46573	1.4
57.07082	3.0
59.04985	1.4
62.39672	0.9
65.03933	1.3
67.05517	3.5
67.51116	1.1
69.03438	39.5
69.03817	1.9
69.07059	4.4
69.54760	7.3
71.04993	2.8
73.02928	1.2
79.05486	7.9
81.03403	2.7
81.07064	13.2
83.04988	4.5
85.02906	7.6
85.06554	3.4
91.04747	0.9
91.04926	0.8
91.05466	6.7
93.07056	6.1
94.04170	1.2
95.05005	1.3
95.08617	8.4
97.02895	2.4
97.06524	3.5
98.97600	7.3
101.71967	1.1
102.67705	1.1
105.07023	3.9
107.04959	5.8
107.08597	18.8
109.02847	2.0
109.06514	5.2
109.10172	4.2
110.41909	1.0
111.08086	4.0
111.36832	1.0
119.08583	3.9
121.06518	3.9
121.10160	8.4
123.08070	4.6
123.11700	3.3
125.05993	6.8
125.09631	15.3
129.07037	2.6
131.04968	1.3
131.08569	9.0
133.10136	5.1
135.08080	13.0
135.11719	4.3
137.05984	20.1
137.09625	2.0
139.03888	2.0
141.04417	1.2
143.08537	1.5
144.05714	1.6
145.04959	1.7
145.10124	2.4
147.11685	4.3
149.09660	6.8
149.13263	4.2
151.11218	2.0
153.05533	1.4
153.09164	5.6
156.05730	5.3
158.07376	1.2
158.10834	2.7
158.99657	2.0
159.08098	3.7
161.05981	1.6
161.09578	2.0
163.11189	3.3
163.14900	2.2
165.12773	3.2
167.07085	5.4
173.13278	15.4
175.07576	2.0
177.05554	1.3
187.07571	2.8
189.07039	1.7
191.14319	57.2
192.14719	1.5
203.08566	2.5
205.08070	3.0
206.07246	1.3
209.15385	100.0
214.08582	4.4
215.08772	1.6
217.08615	17.4
219.08086	2.1
219.10156	2.3
221.09660	2.2
231.08028	1.9
233.06174	1.2
233.09676	3.5
234.06717	2.1
235.07503	1.8
247.09711	2.9
249.09172	5.0
260.08337	1.3
261.09192	4.4
263.06970	1.9
265.08618	1.6
266.09552	1.4
267.10287	1.6
277.08594	3.6
278.09375	1.6
279.06519	1.4
280.07321	1.5
281.11795	1.7
283.09695	1.4
290.14502	2.6
293.11667	2.6
300.09860	2.2
301.10870	1.8
306.08966	1.2
309.11273	5.9
321.11258	3.6
326.11322	6.3
338.11435	2.1
339.12381	1.4
341.13773	4.6
353.13895	10.3
371.14938	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.8
57.03423	1.7
57.07069	6.1
59.04986	1.7
65.38297	1.6
67.05511	2.3
69.03415	7.8
69.07072	7.2
70.31869	5.0
70.32220	2.1
71.04985	2.3
71.08659	1.6
79.05495	6.9
81.03423	2.9
81.07069	18.5
83.04976	5.1
83.08620	14.6
85.02925	10.1
85.06532	2.6
91.05484	5.6
91.59113	1.6
93.07040	9.6
95.04970	4.8
95.08629	6.2
97.02896	4.8
97.06503	2.5
98.97576	4.1
99.04441	1.9
103.98483	1.5
105.07029	7.6
106.02950	1.6
107.04957	2.7
107.08611	11.8
109.02898	2.3
109.06516	19.0
109.10160	17.7
111.08096	2.6
119.08569	4.9
121.06482	1.9
121.10171	9.6
123.08081	5.2
123.11715	5.7
125.13300	1.9
127.03910	6.2
127.07503	2.1
131.08598	6.8
133.10127	17.8
135.08101	8.1
137.09695	1.6
145.04889	1.6
147.11803	1.8
149.09676	6.7
149.13239	12.1
151.11221	4.2
153.09120	2.4
161.06007	2.0
163.14812	2.6
167.07060	7.0
167.14311	15.0
169.12299	1.6
171.10179	1.9
172.05135	2.1
173.13289	9.4
187.07597	6.0
191.14299	22.4
193.10371	1.6
203.05284	1.8
209.04472	2.3
209.11629	2.5
209.15378	19.8
217.08682	2.3
248.12135	2.3
309.10934	1.9
341.13852	2.1
347.41513	1.7
349.15976	1.4
350.49365	1.5
353.13779	2.2
371.16830	100.0
372.17096	2.7
386.57382	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1678
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
62.53697	0.3
66.64328	0.3
69.03412	0.7
69.64631	0.6
69.65057	1.4
85.02885	1.0
91.05479	0.5
97.02844	0.3
98.21499	0.4
107.08607	0.6
109.06513	0.3
123.31173	0.3
125.09690	0.3
127.03937	0.4
131.08583	0.3
133.10176	0.4
135.08078	0.5
147.04489	0.3
149.09601	0.5
153.06590	0.6
161.09708	0.3
173.13287	0.6
191.14360	2.5
209.11501	2.9
209.15379	2.1
313.12558	0.5
353.15805	0.4
353.19797	0.3
371.16785	100.0
372.17114	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
59.52390	0.3
60.83960	0.3
64.80190	0.2
65.57292	0.3
69.03410	0.6
70.34144	1.0
75.58440	0.2
81.07053	0.5
83.04985	0.4
83.08620	0.3
85.02874	0.6
93.07047	0.6
95.04967	0.8
97.06567	0.4
105.03356	0.3
105.07024	0.3
107.08615	0.6
121.10124	0.6
131.08659	0.3
133.10170	0.4
135.08072	0.5
149.09680	1.0
167.14372	0.3
170.65742	0.2
173.13280	0.4
185.42950	0.3
191.10419	4.8
191.14320	1.0
192.91443	0.3
203.05275	9.2
203.07126	0.5
209.15340	1.5
209.18092	0.3
219.10905	0.3
353.15775	0.6
371.16782	100.0
372.17126	1.9
378.31448	0.3
378.35892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01867	1.2
55.05503	2.7
55.93975	0.6
57.03434	1.0
57.07064	0.6
59.21599	0.6
61.02922	0.7
65.03909	0.6
67.05509	3.6
68.57264	0.7
69.03427	4.5
69.07079	2.9
69.57137	3.6
71.04981	1.5
79.05507	3.8
81.03410	1.9
81.07051	6.4
83.04980	2.8
85.02898	5.9
85.06577	1.4
91.05475	4.4
93.07047	9.2
95.04961	2.5
95.08603	7.0
95.58340	0.7
97.02891	2.8
97.06570	1.1
98.97580	1.4
99.08046	0.8
105.07053	4.4
107.01340	0.5
107.04971	1.3
107.08602	11.4
109.06536	4.5
109.10150	6.8
111.08096	1.7
117.06999	1.2
119.04919	1.6
119.08580	2.8
121.06512	2.4
121.10141	5.1
123.08074	9.2
123.11704	1.4
125.06049	0.6
125.09565	0.7
127.03937	1.7
127.07562	1.4
131.08566	3.0
131.67110	0.6
133.10141	4.7
135.08096	3.1
135.11679	1.4
137.05997	1.2
137.09618	2.9
139.07550	0.6
139.11192	1.2
141.09114	2.2
145.04970	1.2
145.10126	1.8
147.04379	6.4
147.08049	0.9
147.11662	1.4
149.09570	3.2
149.13260	4.7
151.11223	4.0
153.01839	7.0
153.09137	2.5
154.09892	1.8
155.01854	0.8
155.10681	2.0
161.05975	0.7
161.09689	0.8
161.13283	1.3
163.11162	0.9
163.14821	1.6
165.12787	2.0
167.07083	1.5
173.13255	3.1
191.10493	1.0
191.14301	7.5
193.08598	0.7
203.03523	0.7
203.05287	1.5
209.04639	0.7
209.08086	6.3
209.11469	2.1
209.15376	25.2
225.08649	0.8
249.03986	2.1
281.14993	0.9
321.28198	0.6
371.04211	1.8
371.16794	100.0
372.17145	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01872	3.1
56.96561	2.3
59.05010	1.2
61.02942	1.4
65.03928	1.6
67.05494	2.8
69.03426	3.9
69.07074	2.3
69.85479	2.2
69.85870	3.1
71.04987	3.3
71.65736	0.9
71.66142	1.0
73.02896	1.1
79.05507	10.5
81.03417	3.6
81.07040	6.7
83.04959	1.5
83.08594	1.3
85.02892	6.1
85.06537	1.2
91.05473	12.0
93.07048	4.8
94.04194	3.9
95.04955	4.1
95.08614	3.7
97.02913	2.2
97.06518	3.1
97.08554	1.1
97.10210	1.2
98.97582	3.3
103.05447	2.2
105.07040	4.4
107.04960	20.4
107.05627	1.7
107.08588	5.8
109.02881	1.6
109.06514	4.3
109.10136	1.8
111.04423	2.3
111.08097	1.2
115.05459	3.0
116.06212	2.7
116.99623	1.0
117.07036	2.1
119.04939	3.3
119.08581	2.5
121.06541	2.8
121.10149	3.6
122.03653	8.8
123.04421	5.5
123.08094	1.2
124.05165	1.2
125.06000	1.7
126.91246	1.0
127.03902	4.2
128.06203	5.6
129.05534	1.9
129.07021	11.9
130.07797	1.3
131.04948	4.4
131.08569	15.1
132.05693	1.4
133.02869	2.1
133.10141	4.3
135.04335	1.6
135.08099	1.5
135.11690	1.4
137.05981	100.0
141.06989	5.8
144.05690	8.2
145.04977	1.7
145.06482	3.8
145.10045	2.5
147.04420	3.6
149.05992	2.6
151.03914	6.4
151.07533	5.2
153.01837	1.3
153.05408	2.0
156.05699	25.1
157.06508	7.1
158.07246	2.3
159.04414	1.4
159.08072	19.5
160.05193	2.3
161.06004	4.2
163.03900	3.4
163.11243	2.5
165.05501	4.1
165.06865	1.7
165.12737	2.4
167.07040	40.5
169.06461	3.5
169.07719	2.4
172.05196	3.5
173.06046	3.6
173.13277	3.8
174.06781	6.8
175.07541	9.9
177.05511	4.3
178.07846	1.7
179.07085	2.1
179.08551	1.8
180.05724	1.5
181.05037	2.6
181.06528	1.8
181.08493	1.2
184.05217	3.0
185.06052	1.2
186.06776	3.4
187.07549	23.8
188.08087	1.3
189.07028	3.2
189.09126	9.1
189.12947	1.1
190.06273	1.4
190.07820	4.5
191.07042	3.4
191.08603	2.4
191.10686	3.3
191.14308	10.6
193.08588	1.5
193.10178	2.3
195.06508	2.8
195.08122	2.1
195.48102	1.2
196.05298	1.1
198.06764	2.6
201.09064	2.9
202.06102	6.6
202.07823	3.4
203.06961	2.2
203.08553	8.2
204.07700	1.8
204.09436	1.3
205.06645	1.7
205.08588	6.0
205.10268	1.8
206.07277	5.8
207.06380	1.6
207.08037	4.5
207.09850	1.2
209.04401	7.1
209.06181	1.2
209.15372	4.0
210.06824	1.4
211.07474	5.5
214.06294	1.7
215.06776	6.0
215.08632	4.5
217.06676	3.0
217.08597	75.0
218.07239	11.0
218.09029	1.8
219.08058	6.9
219.10223	7.3
220.08836	1.4
221.06114	1.2
221.09644	10.1
222.06805	1.3
223.07587	5.2
224.04729	3.5
224.08290	2.0
225.05487	1.3
226.06258	4.3
227.07010	2.5
229.06525	1.4
229.08594	3.4
231.08073	10.4
232.08951	4.4
233.06050	2.2
233.09616	15.9
234.06776	12.5
235.07527	10.9
235.09558	1.7
236.08121	1.9
237.05522	2.1
237.09142	1.7
238.09886	3.1
239.07047	26.2
239.09297	2.1
240.07823	1.5
241.08600	15.5
242.05725	5.7
243.08160	2.1
246.06732	6.3
247.07491	5.5
247.09692	26.5
248.08299	7.1
249.09123	21.8
249.11560	1.9
250.06429	1.4
250.09898	4.4
251.07101	7.2
251.09399	1.4
252.07802	8.8
253.05029	2.0
253.08784	1.2
255.06528	3.7
256.03732	3.0
256.07300	1.6
257.08115	6.1
259.07596	3.3
260.08304	4.8
261.09119	24.7
261.11658	1.9
262.06268	4.1
262.09769	4.5
263.07053	11.1
263.10681	3.2
264.07803	2.9
265.08615	4.2
266.09302	7.2
267.10306	1.2
269.08099	6.4
270.05292	2.1
271.06073	9.0
274.06360	1.5
275.07025	1.8
275.10611	1.5
276.07834	2.8
277.08640	21.2
278.06085	2.4
278.09387	12.7
279.06491	5.0
279.10107	3.6
280.07346	4.5
281.08643	2.0
281.11673	10.1
283.09637	2.9
285.07565	71.6
286.08353	3.2
289.08600	10.7
290.09335	2.3
291.06650	2.9
291.10175	5.9
292.07288	3.1
292.10971	3.6
293.08203	4.1
293.11722	21.5
294.08847	4.6
294.11969	1.7
295.09607	4.7
295.12762	1.2
296.13751	1.3
298.08286	2.8
299.09027	2.3
300.09921	75.5
301.10709	16.1
305.08157	1.9
306.08838	6.6
307.09631	8.3
308.06720	1.4
309.07700	2.5
309.11191	24.4
310.11975	1.1
311.09161	4.1
311.12659	2.5
313.10611	13.0
320.10361	1.8
321.11203	34.5
322.11984	5.3
323.09186	8.7
325.10663	1.6
326.11487	23.1
327.12332	3.4
338.11417	6.9
339.12265	4.9
341.13849	18.8
343.15268	1.6
353.13815	68.8
371.14893	27.0
371.20395	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.3
65.81069	1.5
67.05492	1.4
69.03403	1.9
71.56973	1.6
73.96703	1.7
79.05486	10.3
81.07043	3.2
91.05478	8.5
93.07048	3.4
94.04190	3.8
95.04962	2.2
105.03384	4.0
105.06998	3.1
107.04945	14.4
107.08589	1.9
109.06525	3.3
113.97060	1.5
115.05452	3.2
116.06231	2.5
117.06948	1.9
119.08546	2.5
121.06554	1.5
122.03667	7.4
124.05192	1.9
125.06003	2.0
128.06223	3.4
129.06999	10.5
131.04932	2.4
131.08582	11.0
133.06503	2.6
137.05980	100.0
141.06996	4.6
143.22621	1.6
144.05663	8.4
145.06525	4.7
145.10233	1.6
149.05946	2.9
151.03900	2.9
151.07497	5.8
152.04767	1.5
156.05707	24.5
157.06509	6.5
158.07291	3.7
159.08043	19.5
160.05170	2.4
161.05965	3.5
163.07573	1.9
165.05402	1.7
167.07040	39.3
168.07173	1.8
169.06429	3.6
169.07671	2.6
172.05217	3.5
173.05913	4.1
174.06750	7.8
175.07558	9.7
177.05486	4.0
178.07758	3.3
179.07050	1.7
181.05089	2.2
181.06573	1.7
181.08565	2.1
184.05157	2.8
186.06795	3.2
187.07556	24.2
189.05478	1.8
189.07053	4.4
189.09106	7.8
190.06255	2.8
190.07806	3.4
191.08655	2.5
193.10153	1.8
195.08055	3.3
196.05132	1.6
199.07536	2.1
201.09154	3.2
202.06145	8.1
202.07800	3.9
203.07005	1.9
203.08575	10.1
204.07802	3.2
205.06668	3.2
205.08585	6.1
205.10249	3.0
206.07208	5.9
207.08037	4.9
207.09915	1.8
209.04152	1.8
209.06024	2.4
211.07542	5.6
215.06982	5.6
215.08672	5.4
217.06694	2.9
217.08589	80.0
218.07278	15.2
219.08038	9.9
219.10201	8.5
221.09644	10.9
223.07579	3.8
224.04625	2.5
226.06219	4.2
227.07085	1.9
229.08626	2.7
231.08034	10.0
232.08971	4.0
233.06020	2.2
233.09602	17.7
234.06802	12.0
235.07593	13.4
236.08214	2.4
237.09138	2.5
238.09927	4.3
239.07039	26.6
241.08545	13.5
242.05835	3.8
243.08221	1.9
246.06754	5.3
247.07431	5.5
247.09633	28.8
248.08247	4.9
249.09103	22.1
250.09952	3.6
251.07014	7.6
251.10725	2.5
252.07814	9.3
253.04941	2.2
253.08601	1.7
255.06552	1.9
256.03778	2.3
257.08063	5.0
260.08273	4.0
261.09119	26.6
262.06354	4.4
262.09772	2.5
263.07007	11.5
263.10458	3.0
264.07907	2.6
265.08627	4.3
266.09335	8.8
267.10422	2.1
269.08081	6.7
271.05936	8.3
275.10571	2.1
276.07706	2.5
277.08618	20.2
278.09344	13.4
279.06531	6.3
279.09924	2.7
280.07336	5.6
281.08923	1.7
281.11652	9.9
283.09531	3.5
285.07587	66.9
286.08234	3.6
289.08478	10.0
290.09390	2.1
291.06635	4.0
291.10205	4.1
292.07205	2.0
293.08157	7.4
293.11719	25.8
294.08719	4.8
295.09625	4.9
298.08218	3.1
300.09946	70.4
301.10721	15.5
305.08188	2.1
306.08890	7.3
307.09720	8.6
309.11194	26.2
311.09171	5.5
311.12585	1.9
313.10666	10.5
321.11197	35.0
322.11938	4.0
323.09152	8.7
326.11511	21.3
327.12366	3.3
338.11456	7.3
339.12274	4.1
341.13867	18.8
353.13840	71.9
371.10599	2.1
371.14954	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.4
67.05499	3.7
67.37202	2.2
69.03442	22.2
69.07085	4.7
69.28560	19.5
69.78854	2.1
71.04993	7.0
79.05497	14.4
81.03418	4.1
81.07068	18.2
83.04984	2.9
85.02921	8.0
91.05486	9.9
93.07043	7.1
94.04176	3.5
95.04979	6.2
95.08583	5.0
97.02904	2.3
98.97567	3.2
103.05458	2.1
105.07008	4.2
107.04977	20.5
107.08585	14.8
109.02868	2.1
109.06509	6.5
109.10186	3.7
115.05468	4.6
116.06180	3.1
121.06513	7.5
121.10143	8.8
122.03642	9.3
123.04487	2.4
125.05992	9.0
125.09605	3.9
127.03942	3.0
128.06224	3.5
129.07066	10.5
131.04948	5.6
131.08577	14.9
135.08070	7.7
137.05991	100.0
137.09671	2.3
139.07619	2.5
141.07005	5.6
144.05733	11.0
145.06496	3.7
147.11694	4.3
149.06061	4.5
149.09613	4.1
149.13316	3.4
151.07562	4.3
153.08983	2.2
156.05705	34.5
157.06512	5.2
158.07317	4.2
159.08080	17.5
160.05249	3.7
161.05963	2.7
163.03894	3.9
163.11263	3.0
165.12801	3.0
167.07039	29.1
169.06439	4.0
169.07703	3.0
172.05153	4.9
173.13297	4.7
174.06821	6.0
175.07579	8.0
178.07800	3.7
182.93546	2.2
184.05270	3.0
185.06099	2.3
186.06741	3.3
187.07539	18.3
189.07040	4.5
189.09093	5.5
190.07834	5.3
191.07019	3.6
191.14258	15.1
192.07822	3.3
197.05983	2.5
202.06299	7.8
202.07909	3.3
203.08636	10.9
204.07774	3.3
205.06615	3.5
205.08560	5.1
206.07292	9.2
207.08022	4.1
209.04485	7.0
209.15376	93.7
215.07005	6.7
215.08734	4.5
217.06697	3.8
217.08604	84.6
218.07227	11.6
218.09140	2.4
219.08011	7.7
219.10214	8.5
220.08983	2.9
221.09639	10.1
223.07607	2.6
226.06270	3.0
231.08101	9.9
232.08849	6.2
233.05913	2.7
233.09700	11.4
234.06625	14.9
235.05560	2.8
235.07487	12.5
236.08360	2.3
238.09888	5.9
239.07001	9.4
240.07889	2.2
241.08684	6.6
242.05849	2.3
246.06699	3.9
247.07520	5.4
247.09727	24.6
248.08313	4.7
249.09100	30.5
250.09818	4.6
251.07082	8.7
252.07793	6.1
257.08252	2.4
260.08447	2.6
261.09073	21.9
262.06247	4.6
262.09726	2.3
263.07025	9.1
263.10648	3.4
264.08008	2.8
265.08661	6.7
266.09363	5.1
269.08038	4.4
275.07260	4.1
276.07996	2.5
277.08630	25.8
278.09271	10.4
279.06503	4.4
279.09998	2.7
280.07581	2.6
281.11765	12.4
285.07538	21.4
289.08572	10.6
291.06696	3.6
291.10062	4.3
292.10971	4.5
293.08228	5.0
293.11746	16.8
294.08777	2.5
295.09647	2.6
298.08105	2.3
300.09937	24.6
301.10733	10.0
306.08942	5.4
307.09756	8.8
309.11163	31.8
310.12015	2.4
311.09091	5.3
313.10947	4.4
321.11194	24.9
322.11914	3.4
323.09152	5.8
326.11502	31.6
327.12137	2.2
338.11533	3.7
341.13824	23.8
353.13821	54.3
371.14725	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05503	2.0
56.96563	3.5
57.03420	1.6
57.42386	1.0
61.02922	1.6
67.05508	2.0
68.99799	4.5
69.03419	5.6
69.85026	1.0
69.85628	5.7
70.06583	3.4
71.41932	0.9
73.04755	3.9
79.05478	2.2
79.50301	1.1
81.03411	2.9
81.07063	1.8
83.04964	2.4
85.02899	9.3
86.09731	1.1
87.04460	1.1
89.03919	1.3
91.05882	6.0
93.07029	1.7
95.01273	1.1
95.04972	2.4
96.09523	1.1
97.02891	6.3
97.06525	3.2
98.97608	6.1
99.04459	1.2
105.03394	1.7
105.07021	1.7
107.04947	6.4
107.08604	2.0
109.02860	2.8
109.06521	8.7
109.10152	2.9
111.04455	4.5
116.98656	1.2
117.03371	1.3
119.04916	1.5
121.10160	2.5
127.03917	3.5
129.06987	1.2
131.04945	2.0
133.10138	5.0
135.04416	6.1
135.08080	2.3
137.02342	100.0
137.05960	2.1
139.03917	3.3
145.02867	4.1
145.04921	2.5
147.04385	7.3
150.05428	1.4
153.05479	29.5
153.09109	1.2
158.99699	2.5
163.02585	1.9
163.03909	31.6
173.13275	2.4
179.03403	11.2
191.14288	7.9
195.06497	8.4
197.04459	20.9
203.03409	11.8
203.05295	3.3
205.04956	1.9
209.04401	3.4
209.15387	1.9
211.55247	1.0
215.03494	2.4
217.07054	3.4
221.04890	1.4
233.04468	2.0
237.02876	2.2
258.83963	1.0
261.04013	2.4
268.97855	1.9
275.05402	1.6
279.05042	2.4
285.01028	5.0
291.05090	1.7
311.07907	3.1
321.06091	1.3
339.07196	2.6
353.08524	3.3
353.13220	1.7
355.07126	2.9
371.12973	13.8
371.16772	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	371.1338
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
53.03943	4.8
55.66822	2.0
61.02913	2.2
69.03429	15.5
69.52380	6.4
69.52806	9.9
73.02894	2.5
74.91452	2.1
78.25662	2.2
79.05477	6.1
81.03403	9.9
81.07058	3.3
83.15323	2.2
85.02908	18.4
91.05473	8.6
93.07034	7.3
95.04958	3.6
95.08612	5.1
97.02890	11.8
98.97585	9.8
99.04450	3.9
102.19611	2.2
103.05460	13.8
104.06239	3.9
105.07030	37.5
107.04944	2.8
107.08609	4.5
107.62868	2.5
111.82324	2.0
115.05463	11.0
118.04159	4.2
121.06504	11.4
123.04401	3.8
123.08091	2.5
127.03906	8.7
131.04930	6.2
133.06502	35.1
133.10118	7.8
137.05960	7.1
145.04897	3.0
147.04465	2.9
149.05972	19.1
149.09578	5.3
151.03918	10.6
151.11131	3.2
157.31201	2.2
161.05998	28.0
167.07053	63.1
173.13161	3.0
177.05478	17.8
178.06210	3.9
179.07062	3.7
181.08621	11.7
191.14311	10.8
193.08607	100.0
207.06488	5.1
209.08070	18.0
209.15408	8.8
217.08604	3.6
229.71255	2.3
251.09409	2.6
301.12631	23.3
371.16983	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15614	4.0
55.05507	6.1
56.96562	13.0
57.03427	3.7
57.57185	3.8
61.02910	3.5
69.03426	9.0
70.06596	4.3
71.49609	3.4
71.53747	4.5
73.02924	6.4
73.04747	13.7
79.05514	3.6
81.03433	6.9
81.07051	4.8
83.04970	4.0
85.02910	20.9
88.08884	4.2
91.05845	20.9
97.02885	10.4
98.97594	22.9
101.06009	5.1
105.03349	4.2
105.06998	7.3
107.04962	7.4
107.08615	5.9
109.06500	8.3
110.97591	11.3
111.04425	6.5
116.98620	13.8
121.10121	20.1
122.06089	5.4
123.04461	4.0
125.51462	4.5
127.03909	9.6
128.98633	9.7
129.05458	6.2
133.10155	4.0
137.02335	15.4
137.05984	11.0
145.05026	4.7
146.99675	4.0
163.03947	10.1
167.06981	7.4
173.13252	6.3
177.00766	5.9
191.14354	10.6
197.01381	3.8
203.05296	14.5
219.01796	21.5
225.07086	11.4
230.01048	5.4
237.02841	23.6
285.01010	15.9
353.13168	6.0
355.06909	13.9
371.08908	38.7
371.13162	25.7
371.17017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	10.5
56.96570	31.3
57.03427	20.0
61.02935	43.1
62.03254	5.8
67.05501	6.3
67.61738	6.1
69.03432	48.7
70.98114	7.7
71.04979	14.4
71.21602	8.3
73.02911	22.7
81.03419	15.4
85.02431	8.8
85.02912	100.0
87.04487	9.8
91.03922	7.8
91.05811	13.5
92.33035	6.3
95.04957	7.5
97.02892	57.6
98.97586	54.8
99.04435	7.9
101.00832	11.7
105.03387	9.8
107.04952	10.3
109.02864	6.1
110.97589	13.8
112.99126	8.9
116.37943	5.0
116.98615	17.2
117.01853	5.6
117.05475	5.2
119.01851	12.9
127.03934	37.0
128.04237	6.2
128.98627	15.4
137.02370	32.3
137.03282	5.6
137.05968	9.1
141.40509	6.0
143.01874	9.2
145.04941	20.6
145.51848	5.1
146.99594	6.7
147.03151	6.1
147.06528	5.9
151.03912	11.4
156.03632	18.2
157.02573	9.9
158.99652	14.8
161.02960	12.6
169.04439	6.9
170.99629	6.8
174.98973	5.2
177.00697	9.9
177.04120	8.0
178.04887	15.7
182.03412	7.4
189.00760	9.1
191.03928	20.6
194.99544	5.4
200.04346	32.8
201.00714	13.6
203.03880	6.3
209.05763	9.8
213.03244	11.6
219.01848	18.7
219.55806	5.7
222.03624	7.3
237.02817	15.1
244.99513	6.0
249.53714	9.6
250.05296	11.6
259.07800	7.1
261.02744	10.3
268.97986	7.1
273.02704	12.3
279.03769	9.5
280.57968	7.0
281.07205	31.1
285.00897	7.1
291.03906	15.0
294.06100	5.8
309.05188	6.4
343.80927	5.2
355.06976	10.5
371.07541	16.3
371.12155	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29754	6.8
53.03933	12.9
55.05511	42.6
56.58776	7.0
56.96571	12.2
57.03439	16.5
57.07055	9.0
58.33379	6.8
65.03934	8.8
67.05509	100.0
69.03445	7.1
69.07079	49.7
71.04996	13.0
71.08624	42.9
71.56919	9.3
79.05488	64.7
81.03419	17.0
81.07054	92.2
83.04971	18.7
83.08617	24.0
85.06543	16.4
91.05510	40.1
93.07032	68.2
95.04968	21.6
95.08618	48.6
97.06525	12.9
97.10160	18.0
99.08098	38.4
105.07034	38.2
107.08603	43.3
109.10138	38.4
117.07066	12.6
119.08611	24.9
121.10125	31.2
123.04478	8.0
123.11742	7.7
125.09637	18.1
129.06963	8.3
130.93260	12.0
131.08536	15.3
133.10124	23.9
134.09651	64.0
135.08092	8.2
135.11690	23.5
137.09616	9.6
143.08545	10.9
145.10132	15.8
147.11630	19.3
149.13228	18.2
151.11194	42.4
153.09044	8.9
157.10155	9.3
161.13258	28.9
163.11165	21.0
165.12764	13.5
172.94330	39.7
173.11745	16.7
175.11162	9.5
179.14227	8.0
189.11212	14.7
190.95396	46.0
204.13875	12.0
208.96512	11.3
214.95471	10.1
227.12830	12.1
231.20955	6.5
232.13391	11.1
232.96526	54.1
245.13853	10.3
250.97592	27.3
253.18002	7.9
259.20605	10.9
262.93872	10.5
269.17612	16.5
277.21616	78.2
282.79446	9.5
295.22714	12.6
304.94586	7.7
322.85660	8.1
322.95731	11.1
351.25372	75.3
369.13388	14.5
369.26199	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31556	0.7
55.01886	0.7
56.52607	0.6
57.03437	0.7
57.07076	14.2
58.66924	0.7
59.05003	100.0
61.02937	1.4
65.28429	0.8
69.03439	2.6
70.68301	1.2
81.03426	1.8
82.47164	0.6
84.22714	0.7
85.02907	9.7
91.05485	1.5
97.02906	2.6
97.10172	0.8
109.02907	1.0
115.11211	27.9
115.73932	0.8
117.09167	1.1
121.10213	0.7
127.03957	1.2
137.81503	0.7
145.05046	1.0
154.20949	0.6
167.07095	1.9
172.71623	0.8
173.15440	5.1
191.16429	44.2
192.16772	0.9
213.72610	0.7
278.32382	0.8
370.19193	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.05521	2.8
57.07076	33.3
63.63942	2.1
65.59119	1.9
67.05534	2.1
67.72311	1.9
69.07059	3.3
71.08635	52.1
85.10191	25.8
89.06043	29.5
89.53796	2.2
91.05479	7.9
93.07056	17.9
95.04987	5.3
95.08603	6.3
103.05453	3.0
107.08548	2.7
107.45265	2.3
109.10120	2.8
119.08518	2.4
121.06509	64.9
127.14847	3.4
133.08603	11.3
139.07530	4.2
147.08098	2.5
165.09117	32.5
209.11827	2.9
227.12798	100.0
370.40414	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	15.9
55.01872	5.3
55.05523	24.6
57.03439	5.7
57.07077	5.7
57.27191	2.4
67.05507	55.4
69.03447	3.8
69.07075	35.3
70.92149	3.2
71.04996	3.1
71.08617	6.6
71.55041	3.3
79.05495	33.8
81.02986	4.6
81.03420	54.8
81.07063	44.1
83.04983	12.2
83.06114	10.1
83.08623	11.1
84.04510	28.8
85.06559	4.3
91.05473	19.4
93.07055	31.6
93.38830	2.7
95.04981	31.9
95.08620	23.7
97.06536	3.8
97.10165	8.5
99.08096	5.1
100.64524	3.0
101.07159	3.5
105.07039	22.8
107.08601	26.8
109.06512	6.6
109.10151	16.1
111.08083	5.4
117.07016	4.0
118.60406	3.1
119.08618	13.5
121.06422	2.9
121.10133	16.8
123.11721	10.2
125.09637	8.0
129.06644	12.9
130.05020	36.9
131.08585	3.8
133.10138	15.4
135.11703	11.5
145.10107	3.5
147.07683	14.5
147.11707	10.9
149.09627	4.0
149.13277	5.2
151.11192	35.0
153.09126	6.6
157.10112	3.8
159.07777	3.2
161.13260	13.4
165.12743	6.0
171.11673	3.5
172.94388	9.4
173.13150	3.6
175.14861	3.8
179.14354	5.1
190.95448	9.7
205.19485	3.4
231.21124	8.2
232.96431	10.7
241.19548	4.9
249.22186	3.8
250.97519	6.4
259.20609	6.9
277.21637	100.0
351.25339	71.8
369.27734	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	371.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34473	1.1
53.03926	1.1
55.01864	2.0
56.76862	1.2
56.96304	1.8
56.96571	30.0
57.03430	3.0
61.02916	4.5
69.03437	11.5
70.42774	3.1
70.43136	1.5
71.05003	1.5
71.95280	1.8
73.02905	4.6
73.04728	1.4
81.03406	2.9
84.96039	10.6
85.02436	1.5
85.02912	19.2
86.09730	1.8
87.04466	1.4
97.02899	9.8
98.97591	100.0
99.04443	1.9
101.00887	1.7
102.97036	1.1
105.03386	1.4
109.02881	1.9
110.97573	40.8
112.99147	5.2
116.97838	2.3
116.98633	28.2
119.01904	1.3
119.04939	2.2
124.99151	2.7
127.03940	8.4
128.98615	33.0
130.46523	1.3
131.00177	4.1
131.01828	2.5
133.01682	1.1
134.99677	6.3
135.00540	1.0
135.04364	1.5
136.06186	1.7
137.05960	8.3
140.00217	1.1
140.98589	4.4
141.39064	0.9
143.00180	8.9
143.01894	2.8
144.98129	2.0
145.03477	2.0
145.04935	4.3
146.99637	8.8
147.03339	1.0
147.04411	3.7
149.01176	2.1
150.05505	2.0
152.98618	10.6
158.99620	9.9
161.01237	7.6
161.02933	2.3
162.99132	1.8
170.99672	13.9
173.02953	2.1
177.00763	6.7
179.00084	1.7
179.07072	3.5
180.06363	1.3
185.03032	3.4
189.00737	7.5
191.02345	1.2
191.03943	2.5
193.00179	1.0
194.99738	1.4
197.01208	2.3
200.04376	2.2
200.06100	1.3
201.00702	8.9
203.03992	1.4
213.00687	2.0
215.02187	2.2
219.01779	70.7
219.05147	2.5
227.02234	3.4
227.04144	2.0
229.03767	1.6
235.06563	2.4
236.07132	1.2
237.02834	96.0
239.02303	3.7
242.03424	1.3
243.01642	1.7
244.04378	2.7
245.05055	2.1
248.95847	1.4
255.03970	4.2
259.04730	3.1
260.04327	1.6
261.02658	2.2
263.02185	3.1
272.08405	5.1
272.10855	1.2
272.58395	1.6
279.03888	5.2
279.06815	1.6
281.03247	1.8
285.00809	1.2
287.06290	1.0
291.03778	1.5
297.08197	1.5
311.01141	1.2
311.03986	1.9
311.06458	2.6
329.05316	27.2
329.08728	1.6
347.06506	12.8
348.07349	1.2
371.06494	65.9
381.10422	2.0
389.07443	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	370.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63544	3.7
52.94548	3.6
53.49871	3.0
55.01856	4.8
55.05505	11.4
56.96553	4.4
57.86636	3.2
58.39839	3.5
65.61878	3.2
67.05499	14.3
69.03414	4.1
69.07059	13.5
71.08630	12.2
71.54128	4.2
77.12886	3.2
79.05482	8.7
81.07050	20.2
83.04967	5.1
83.08611	6.4
91.05478	6.0
93.07051	11.2
95.04935	5.6
95.08610	16.6
97.06529	8.3
97.10183	3.5
99.08101	8.3
105.07036	10.3
106.60953	3.6
107.08590	10.1
109.06520	12.7
109.10175	9.3
119.08555	6.9
120.86678	3.7
121.06540	7.2
121.10143	5.7
123.08063	5.2
131.08586	3.3
133.10255	3.4
135.08055	4.8
139.11215	6.1
145.64572	3.6
147.11617	4.0
151.63110	3.5
153.80449	4.0
163.11182	4.4
165.12749	27.0
166.13097	4.5
177.12788	4.0
181.15926	7.1
198.96614	3.5
209.11783	5.6
261.22116	13.7
278.21881	9.2
279.23102	3.9
279.64621	5.9
280.15070	4.3
289.21649	41.9
290.21945	9.8
293.17493	8.6
298.67813	3.7
307.19052	4.8
307.22665	100.0
308.23065	6.4
311.13434	4.2
325.23947	3.7
352.25586	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32421	1.7
53.03940	2.7
54.26398	1.7
55.01860	3.8
55.05500	7.0
57.03429	2.6
57.07067	7.3
59.05651	1.8
61.02927	4.5
67.05495	5.5
69.03436	21.2
69.07056	5.3
71.04971	3.9
71.54508	2.8
73.02882	3.0
79.05475	8.6
81.03445	10.2
81.07061	8.0
83.04978	8.0
83.08632	2.1
85.02909	36.8
87.04469	2.9
91.05479	12.0
93.03397	1.9
93.07055	10.9
95.04955	6.2
95.08578	6.1
97.02900	11.2
97.06532	3.2
98.97581	7.1
99.04449	6.2
105.07024	16.1
107.04939	2.1
107.08614	14.9
109.02891	11.3
109.06548	5.1
109.10157	7.5
110.75013	1.8
111.04430	2.3
116.98625	1.9
117.03371	2.9
119.08580	16.4
121.06508	5.6
121.10137	13.5
123.08092	6.7
123.11687	6.4
123.52586	2.0
124.03935	3.5
127.03915	9.5
131.08549	4.6
133.06509	12.2
133.10117	17.8
135.08086	6.6
135.11685	7.5
136.12001	2.0
137.09604	13.7
143.08580	4.8
145.02838	3.4
145.04964	6.6
145.10101	7.3
147.08040	5.7
147.11707	9.5
149.09633	35.8
149.13216	2.1
151.11186	58.0
153.09111	2.1
153.12770	4.6
153.68594	1.9
154.13193	2.2
156.09314	6.4
158.99612	2.0
159.08058	7.2
160.08836	3.3
161.09578	6.9
161.13234	13.9
163.11169	17.1
165.12733	3.1
167.03397	2.2
167.07080	2.1
171.11684	8.1
173.13260	2.3
174.10403	29.2
177.05458	7.1
179.10768	3.3
189.12752	100.0
189.14464	4.8
191.10545	3.0
191.14299	27.7
207.09990	6.0
207.13811	64.7
247.11763	3.5
249.14854	2.9
259.07864	3.1
268.08209	2.5
351.18185	3.5
369.15201	93.3
369.19217	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	369.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.7
53.03942	2.6
53.44026	0.8
55.01866	7.6
55.05269	0.9
55.05514	7.5
56.96566	1.1
57.03439	4.8
57.07076	1.5
65.03957	0.8
67.05508	9.5
67.92442	0.7
69.03422	2.9
69.06727	1.3
69.07068	14.9
69.88136	1.1
69.88550	2.6
71.04976	1.0
71.08642	0.8
79.05494	17.6
80.03050	0.7
81.03423	1.4
81.07057	31.3
83.05009	3.4
83.08624	2.7
85.02900	1.1
85.06555	0.8
85.41135	0.6
91.05477	9.2
93.07051	9.1
95.04967	2.7
95.08608	9.7
97.02879	0.9
97.06533	50.1
98.20678	0.8
98.97589	1.9
105.03420	0.8
105.07039	7.0
107.04947	2.2
107.08593	6.8
109.06522	11.2
109.10184	4.0
111.00818	1.1
111.03706	1.3
111.04446	17.1
111.08076	1.6
113.06039	0.7
116.98669	0.9
117.07062	1.1
119.04965	1.0
119.08592	6.4
121.06488	1.4
121.10146	6.7
123.04429	49.8
123.08056	2.2
123.11725	2.5
125.06002	5.5
128.06215	1.3
129.07059	1.4
130.93306	0.8
131.04884	1.1
131.08571	2.6
133.06480	1.0
133.10144	7.9
135.04425	1.6
135.08076	4.8
135.11711	5.5
137.05984	100.0
137.09583	2.2
137.13261	2.6
139.03883	1.6
139.07509	1.1
140.35834	0.8
142.53113	0.7
143.08565	1.5
145.06538	0.9
145.10153	2.8
146.07323	0.9
147.04410	4.2
147.08052	3.1
147.11678	6.9
149.05986	0.8
149.09590	4.2
149.13219	2.0
151.07562	4.3
151.11172	1.2
157.10129	2.2
158.14932	0.7
159.08006	0.9
159.11751	1.0
161.09602	10.3
161.13284	3.4
163.03912	8.4
163.07584	1.0
163.11224	5.1
165.09134	2.3
167.10698	0.8
169.10220	0.9
171.11699	2.1
172.94345	2.5
173.13211	0.8
175.11195	5.7
175.14841	1.0
177.12790	0.9
179.10703	3.5
185.13252	1.1
189.05573	0.8
189.12801	1.4
190.95441	2.4
193.12285	1.0
197.13206	1.1
203.17952	5.7
205.19563	0.8
207.06509	2.0
207.10146	0.8
213.16507	2.4
219.10170	50.7
220.10651	1.0
221.19096	1.2
231.17426	9.5
232.96530	2.3
241.15907	1.8
243.10193	1.7
249.18517	12.7
250.97517	1.4
252.62215	0.9
255.06461	0.8
259.16849	0.8
269.08029	0.8
271.06192	2.0
272.06836	0.9
273.07520	1.6
277.17996	75.0
278.18326	1.3
280.94934	0.7
283.05997	1.6
295.19061	12.2
322.95853	0.9
323.14954	0.9
325.10852	3.4
327.77866	0.8
337.10757	1.5
338.84824	0.8
351.21625	14.2
369.08704	1.2
369.13281	23.4
369.22775	8.8
370.13641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05512	3.1
57.03444	2.3
61.02948	3.2
64.97199	1.8
67.05505	2.7
67.22442	2.0
69.03432	15.2
69.16994	2.2
70.79733	3.8
72.13827	1.9
72.48936	2.1
78.10678	1.8
79.05512	9.4
79.37022	1.8
81.03426	2.5
81.07051	3.9
83.04974	6.8
85.02923	16.1
91.05467	7.9
93.07021	4.2
95.04964	4.0
95.08558	3.5
97.02914	4.0
97.52398	1.8
99.04440	2.6
103.05454	3.4
105.07040	11.9
107.08582	7.5
109.02866	2.5
109.06509	3.6
119.08572	7.4
121.06530	13.0
121.10169	5.9
123.08072	5.6
127.03922	4.5
130.86571	1.9
131.08578	4.9
133.06505	100.0
133.10086	7.2
135.08046	8.1
145.04968	3.5
145.10118	2.9
147.11598	2.8
149.09653	4.4
151.07536	5.0
159.08011	2.4
161.09644	4.2
161.13260	2.7
163.11159	13.7
173.13268	7.6
174.10420	2.8
189.12778	33.6
191.14328	54.1
207.13795	42.3
243.13725	2.2
321.40356	1.9
369.15042	8.2
369.19238	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.5
51.50497	0.5
53.03953	3.0
55.01831	1.9
55.05469	1.7
56.96548	0.9
57.03392	3.5
57.07061	1.2
59.04960	2.1
59.89899	0.4
61.02926	3.5
67.05460	1.5
69.03432	12.8
69.07018	2.3
69.07350	0.6
71.01315	1.7
71.05004	3.3
71.54142	0.4
71.54486	0.8
73.02891	2.0
73.06535	1.2
77.03919	0.7
79.05498	3.5
81.03426	4.5
81.07009	1.9
83.04999	3.5
85.02910	32.0
86.03198	0.7
87.04460	2.5
89.03868	0.9
89.06010	0.6
91.03923	1.4
91.05488	4.3
93.07044	3.8
95.04997	2.5
95.05460	0.6
95.08584	2.6
97.02899	10.5
97.06512	1.1
98.97551	1.5
99.04469	3.9
101.02381	0.6
101.05952	0.8
103.05450	0.6
105.03398	41.2
105.04440	1.4
105.07032	14.3
106.55283	0.5
107.04908	2.1
107.08574	3.9
109.02904	2.9
109.06487	1.0
109.10126	1.4
111.04373	0.8
111.08047	0.6
116.98608	0.6
117.03339	0.9
117.06958	2.0
119.04928	3.1
119.07818	0.7
119.08588	9.7
121.06492	1.8
121.10149	3.8
123.04398	2.2
123.08059	1.4
123.11722	2.6
125.05975	1.3
127.03927	6.9
128.06223	1.1
129.06956	2.1
131.08597	3.0
133.06514	4.0
133.10135	4.9
135.08032	2.1
135.11685	1.7
136.31216	0.5
137.05922	1.2
137.09567	1.2
141.06975	0.7
143.08588	3.8
145.02785	2.3
145.04918	5.2
145.06345	0.9
145.10133	8.6
147.04279	0.7
147.08043	5.2
147.11700	6.7
149.05934	0.9
149.09599	2.3
149.13252	0.8
151.07532	0.9
151.11154	1.0
151.78119	0.5
156.09344	4.5
159.08012	1.4
159.11703	1.4
160.08885	2.8
161.05962	0.7
161.09636	4.8
161.13264	7.0
162.10368	0.6
163.11188	39.2
171.11687	8.0
172.14188	0.8
173.13225	1.3
174.10406	1.7
177.05479	6.0
179.07051	14.8
189.12749	34.3
191.14317	28.9
191.16087	1.0
192.14592	0.6
197.08142	1.2
199.80176	0.5
207.06416	3.7
207.13814	100.0
208.14174	1.4
225.14839	1.0
237.02777	0.6
243.04735	1.4
247.11646	0.7
260.09161	0.5
277.07083	0.9
323.11377	0.6
325.16074	0.6
326.11633	0.9
333.17032	0.9
351.18100	1.1
369.15277	31.8
369.19211	3.9
382.74927	0.6
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
51.02358	0.5
51.50497	0.5
53.03953	3.0
55.01831	1.9
55.05469	1.7
56.96548	0.9
57.03392	3.5
57.07061	1.2
59.04960	2.1
59.89899	0.4
61.02926	3.5
67.05460	1.5
69.03432	12.8
69.07018	2.3
69.07350	0.6
71.01315	1.7
71.05004	3.3
71.54142	0.4
71.54486	0.8
73.02891	2.0
73.06535	1.2
77.03919	0.7
79.05498	3.5
81.03426	4.5
81.07009	1.9
83.04999	3.5
85.02910	32.0
86.03198	0.7
87.04460	2.5
89.03868	0.9
89.06010	0.6
91.03923	1.4
91.05488	4.3
93.07044	3.8
95.04997	2.5
95.05460	0.6
95.08584	2.6
97.02899	10.5
97.06512	1.1
98.97551	1.5
99.04469	3.9
101.02381	0.6
101.05952	0.8
103.05450	0.6
105.03398	41.2
105.04440	1.4
105.07032	14.3
106.55283	0.5
107.04908	2.1
107.08574	3.9
109.02904	2.9
109.06487	1.0
109.10126	1.4
111.04373	0.8
111.08047	0.6
116.98608	0.6
117.03339	0.9
117.06958	2.0
119.04928	3.1
119.07818	0.7
119.08588	9.7
121.06492	1.8
121.10149	3.8
123.04398	2.2
123.08059	1.4
123.11722	2.6
125.05975	1.3
127.03927	6.9
128.06223	1.1
129.06956	2.1
131.08597	3.0
133.06514	4.0
133.10135	4.9
135.08032	2.1
135.11685	1.7
136.31216	0.5
137.05922	1.2
137.09567	1.2
141.06975	0.7
143.08588	3.8
145.02785	2.3
145.04918	5.2
145.06345	0.9
145.10133	8.6
147.04279	0.7
147.08043	5.2
147.11700	6.7
149.05934	0.9
149.09599	2.3
149.13252	0.8
151.07532	0.9
151.11154	1.0
151.78119	0.5
156.09344	4.5
159.08012	1.4
159.11703	1.4
160.08885	2.8
161.05962	0.7
161.09636	4.8
161.13264	7.0
162.10368	0.6
163.11188	39.2
171.11687	8.0
172.14188	0.8
173.13225	1.3
174.10406	1.7
177.05479	6.0
179.07051	14.8
189.12749	34.3
191.14317	28.9
191.16087	1.0
192.14592	0.6
197.08142	1.2
199.80176	0.5
207.06416	3.7
207.13814	100.0
208.14174	1.4
225.14839	1.0
237.02777	0.6
243.04735	1.4
247.11646	0.7
260.09161	0.5
277.07083	0.9
323.11377	0.6
325.16074	0.6
326.11633	0.9
333.17032	0.9
351.18100	1.1
369.15277	31.8
369.19211	3.9
382.74927	0.6
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
53.03930	0.9
54.46093	0.6
55.05518	1.3
56.96557	0.8
57.03429	1.3
57.07069	0.7
58.87793	0.6
59.04990	1.4
61.02927	0.9
61.75528	0.6
62.17377	0.7
67.05489	2.2
69.03445	3.8
69.07063	1.6
69.08575	0.7
71.04992	2.0
71.05849	1.7
73.02900	0.7
79.05464	2.3
81.03410	1.9
81.07055	4.0
83.04964	2.2
85.02903	6.4
85.06551	1.1
89.25542	0.7
91.05488	5.2
93.07044	3.5
95.04979	1.6
95.08598	3.9
95.16662	0.6
97.02886	2.7
97.06535	1.6
98.97560	1.1
105.07041	14.4
107.04954	1.3
107.08585	5.6
109.02879	2.0
109.06516	2.1
109.10169	1.4
115.47296	0.7
116.98602	0.9
117.07011	1.0
119.04930	3.2
119.08578	7.7
121.06495	2.1
121.10119	3.4
123.04735	1.4
123.08080	4.2
127.03926	1.6
129.07062	0.9
131.08568	2.5
133.06479	5.5
133.10158	4.8
135.04413	1.2
135.08046	1.3
135.11705	1.6
136.12044	1.1
137.05968	1.7
137.09616	2.0
139.03923	2.2
139.07457	0.7
143.08569	3.2
145.04977	1.4
145.10086	2.8
147.04492	0.8
147.08080	3.9
147.11700	5.8
149.09622	29.4
151.07585	2.2
151.11119	0.7
154.13020	1.0
155.08582	1.0
156.09358	3.0
157.06509	0.7
159.11821	0.7
161.05913	1.0
161.09546	1.9
161.13251	5.4
162.05540	0.9
163.03906	0.8
163.11089	0.8
165.12755	1.9
171.11726	6.9
174.10434	1.0
175.07471	1.1
189.12747	23.5
191.14287	2.6
205.08621	0.9
207.13811	100.0
208.06102	0.9
208.14201	1.1
219.10146	1.0
303.19379	0.7
310.16504	0.7
337.10513	0.7
369.15582	4.9
369.19110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1524
Annotation	Drosopterin
Peak:m/z	Relative Intensity
51.45417	0.4
52.51859	0.3
63.86109	0.3
68.55901	0.3
69.03434	0.5
71.54472	0.5
71.55495	0.3
75.22758	0.3
79.05486	0.3
79.17522	0.3
81.03404	0.4
81.07047	0.7
83.04976	0.4
83.35783	0.3
85.02893	1.0
89.03925	0.4
89.06041	0.7
91.05483	0.7
97.02857	0.7
97.06519	0.4
98.97597	1.9
107.08591	0.8
109.02883	0.3
117.03375	0.4
123.11671	0.4
127.03887	0.4
135.11623	0.4
136.07533	0.6
137.06067	0.3
145.02805	1.5
158.99658	0.8
161.06036	0.4
164.07063	1.4
177.05482	2.1
182.08121	0.8
189.08904	1.2
194.06990	1.2
203.05290	1.8
207.09926	0.5
219.01787	0.7
269.10864	0.4
284.10187	0.4
351.14261	1.2
369.15219	100.0
370.15585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59195	0.9
53.03949	1.3
55.01874	1.2
56.96572	3.0
57.03435	1.4
59.05014	1.0
61.02930	1.3
67.05476	1.0
69.03431	4.6
69.07045	1.1
70.06589	1.5
71.04996	9.9
71.54490	1.4
73.02930	1.3
73.06585	2.0
79.05522	1.0
81.03419	3.2
81.07064	2.8
83.04987	1.8
85.02901	12.0
87.04441	1.3
89.03918	2.1
89.06034	42.0
91.05486	1.7
93.07071	2.3
95.08608	1.4
97.02900	5.2
97.06554	1.0
98.09789	1.0
98.47174	1.0
98.97575	5.0
99.04465	2.8
101.06004	1.5
105.03394	1.4
105.07032	1.6
107.04960	1.4
107.08608	2.2
109.02895	2.0
109.10206	1.5
110.97565	1.4
115.53283	1.0
116.98600	1.9
117.03396	2.4
119.07130	1.0
119.08600	1.3
123.11692	1.8
127.03944	4.2
128.98543	1.1
133.10175	1.9
134.99673	1.2
135.04434	2.1
135.06543	8.4
137.05971	1.3
137.08153	1.5
139.03883	1.0
139.07510	1.5
145.02863	1.9
145.04984	3.6
147.04410	1.8
158.99648	2.2
161.06104	1.1
163.03906	9.5
164.04298	1.2
167.07080	3.9
177.00792	2.6
177.05634	1.5
185.06303	1.2
190.05034	1.8
203.38519	0.9
207.07703	2.0
207.13867	1.0
208.06033	2.5
215.09233	1.4
219.01863	2.9
231.09309	0.9
237.02753	1.6
252.83650	1.0
358.86526	1.0
369.11493	10.1
369.15329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.7
69.03428	0.9
70.92081	0.9
70.92426	0.6
71.05006	0.6
75.14584	0.5
79.05457	0.5
81.03423	0.5
82.29708	0.4
85.02899	1.7
89.06047	1.2
97.02895	1.3
98.97556	1.4
101.06073	0.5
103.82281	0.4
105.03416	0.8
127.03930	0.5
136.81554	0.5
145.04942	0.5
158.99666	0.6
161.05891	0.4
167.07060	0.6
169.31856	0.4
185.04211	2.9
191.03255	0.7
206.05528	4.7
207.06297	7.2
219.01852	0.7
234.99142	0.5
369.11569	100.0
370.11859	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1523
Annotation	Drosopterin
Peak:m/z	Relative Intensity
55.05507	0.4
57.03435	0.6
59.04992	0.7
61.02929	0.6
62.66712	0.4
67.05479	0.6
67.69146	0.3
69.03425	2.3
69.60214	1.9
69.86256	0.3
70.06586	0.6
71.04998	3.5
73.02905	0.4
73.06539	1.3
81.03414	1.2
81.07055	0.6
83.05001	0.5
85.02914	4.6
86.03220	0.3
86.09724	0.4
89.06036	24.2
91.05474	0.9
91.08604	0.3
93.07039	1.0
95.08584	0.7
97.02889	3.3
98.97596	2.7
99.04463	1.2
99.30148	0.4
101.06039	0.8
105.03399	0.4
105.07066	0.5
107.04984	0.5
107.08591	1.1
108.01566	0.3
109.02879	1.1
111.04401	0.4
116.98621	0.7
119.07056	0.4
122.15147	0.3
123.04475	0.5
123.11737	0.5
127.03962	2.1
127.70802	0.3
128.98633	0.6
133.10136	0.9
135.04379	0.8
135.06552	4.8
135.11705	0.9
145.04988	2.0
158.97270	0.4
158.99678	1.4
161.05948	0.4
163.03903	1.7
167.07082	1.4
171.13908	0.4
177.00722	0.7
177.05472	0.6
194.06924	0.9
203.07352	0.4
207.10023	0.7
207.13974	0.6
215.09149	0.5
219.01807	0.8
237.02780	0.7
261.09555	0.5
279.10654	0.8
289.12909	0.6
369.11804	6.3
369.15286	100.0
370.15649	1.2
389.14789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12981	0.5
53.03941	1.8
55.01872	1.6
55.05268	1.0
55.05512	13.6
56.96564	1.6
57.03427	2.7
58.06610	4.3
59.05006	1.0
60.04529	22.3
62.19396	0.6
65.03951	0.7
66.99624	0.7
67.05505	12.0
68.05016	1.0
69.03425	3.7
69.07072	11.5
69.20793	5.2
70.06600	1.6
71.01361	0.7
71.04990	6.7
72.04516	1.4
72.08137	0.8
79.05498	12.4
80.04982	0.7
81.03443	3.0
81.07056	11.8
83.04967	1.5
83.08618	8.0
84.08140	5.2
84.96033	1.0
85.02914	1.4
85.06540	2.7
86.09709	26.0
88.07659	3.0
91.05492	6.3
93.05795	0.7
93.07042	11.5
94.06538	1.5
95.04967	5.5
95.08617	5.5
96.08128	2.6
97.06529	11.8
97.10170	12.8
98.20745	1.6
98.97586	1.4
100.07610	2.2
105.07034	6.5
106.06570	0.8
107.04940	3.6
107.08604	8.3
108.08141	0.7
109.02898	0.8
109.06534	4.9
109.10159	2.7
110.06066	1.2
110.09687	1.0
111.08076	1.8
112.07610	18.3
113.06009	2.5
114.09187	1.5
117.07007	3.4
119.08569	4.2
120.08112	1.3
121.06499	2.6
121.10149	5.8
122.09674	4.9
123.04443	2.3
123.08060	2.8
124.07623	1.2
125.09631	9.8
128.10722	25.7
129.07030	1.9
130.08636	3.0
131.08540	3.6
133.10161	2.6
134.09636	1.2
135.08046	4.1
135.10776	0.9
135.11679	3.1
136.11324	1.0
137.09608	1.1
138.12755	2.7
143.08565	1.4
145.06450	1.0
145.10146	2.6
146.09532	0.8
147.04352	0.8
147.08049	1.5
147.11615	0.9
148.11206	2.3
149.09599	0.8
154.08647	4.7
154.12234	1.1
156.10243	4.4
157.10158	1.0
159.11682	3.3
161.09618	1.9
161.13240	0.8
163.11230	1.7
164.57367	0.6
169.10222	1.0
171.10162	1.0
171.11552	0.7
172.09683	8.1
172.94432	0.7
177.12770	2.1
180.13853	8.2
187.11115	1.6
189.11266	8.5
193.77139	0.6
196.13354	0.7
198.14958	0.6
205.12120	0.8
217.15849	1.2
219.10143	1.5
221.15433	1.3
222.15134	0.8
223.13367	3.3
223.15157	0.7
232.96460	1.0
241.14169	1.0
272.20096	1.5
273.18546	4.7
288.19388	0.7
290.21185	9.0
291.19531	9.8
308.22195	10.9
309.17374	1.4
309.20575	0.7
327.18246	1.2
332.22263	2.0
337.10843	0.7
350.23288	16.5
368.24332	100.0
369.24509	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.95266	0.2
61.02925	0.5
69.03431	2.1
69.21268	2.7
73.02929	0.4
81.03441	0.8
81.75126	0.3
83.01369	0.3
85.02910	6.8
87.04504	0.5
91.03951	0.4
97.02892	2.2
98.97615	0.5
109.02891	0.8
127.03944	1.5
132.04459	6.1
132.05411	0.4
140.49846	0.3
145.04974	1.5
160.03960	1.2
163.03967	0.4
178.05006	58.8
179.05368	0.5
206.04497	100.0
207.04880	1.1
301.27084	0.3
368.09647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.3
55.05493	9.6
56.05051	5.7
56.96556	3.0
57.07055	3.4
60.04505	10.5
65.03939	3.5
67.05504	29.6
68.05000	4.2
69.07059	23.9
69.49197	5.8
69.49603	11.4
70.06580	3.4
70.84515	2.6
71.05000	2.7
72.04499	7.5
79.05497	21.7
80.05025	20.2
81.03413	17.1
81.07047	21.2
82.06586	4.0
83.04965	4.2
83.08601	7.1
84.04497	11.7
86.16103	2.2
86.83847	2.7
91.05484	20.8
93.07044	25.9
94.06562	12.1
95.04964	12.5
95.08604	18.9
96.04462	3.3
96.08115	4.0
97.02872	3.5
97.06535	3.8
98.06034	5.2
105.07041	14.0
106.06534	7.5
107.04942	6.5
107.08570	13.3
107.34879	3.0
108.04470	2.6
108.08116	5.6
109.06511	3.7
109.10133	11.1
110.06031	3.5
117.07001	10.3
117.07774	2.3
119.08549	11.2
121.06502	5.1
121.10123	7.1
123.08006	5.7
129.07008	3.8
131.08530	10.1
133.10104	12.8
135.08054	3.7
135.11635	4.3
137.09592	3.1
139.17249	2.7
145.10085	10.2
147.11681	5.6
149.09589	4.8
154.12262	20.7
159.11670	10.0
161.09586	3.4
161.13263	3.2
168.13817	4.6
169.10118	3.1
172.13286	10.2
172.94299	4.9
176.14333	8.3
177.12656	5.2
187.11189	5.4
190.95372	4.0
194.15494	3.8
196.13309	5.4
198.14816	3.1
202.17972	3.4
204.13837	31.4
205.12253	5.4
208.13234	4.2
222.14886	39.6
232.96303	8.8
240.15953	9.5
250.97514	4.9
257.19077	7.0
274.21710	5.3
275.19995	33.9
282.16974	100.0
290.20963	3.4
291.19479	6.8
292.22723	28.6
308.22253	4.1
326.23273	7.6
350.23514	3.9
368.24316	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	367.2845
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.05516	12.4
55.75358	2.1
57.07057	5.7
67.05505	15.6
69.03420	2.1
69.07069	28.5
71.08635	14.9
71.54316	2.2
78.59852	1.8
79.05509	9.1
81.07060	25.6
83.04967	3.3
83.08616	11.6
91.05515	10.4
93.07044	14.3
95.04982	2.1
95.08608	22.1
97.02877	2.3
97.06503	4.7
97.10149	3.6
97.46021	1.8
99.08107	14.7
105.07034	7.5
105.83575	1.9
107.08580	12.7
109.06513	7.5
109.10160	13.5
111.04409	2.7
111.08046	3.0
119.08548	8.6
121.06474	3.4
121.10160	8.9
123.08064	27.2
123.11696	6.3
125.05932	2.6
127.03905	4.4
131.08601	4.3
133.10139	10.3
135.08043	6.2
135.11673	8.7
137.13217	3.6
145.10164	4.6
147.11681	4.7
149.09630	3.2
149.13235	5.4
153.01805	4.5
153.12747	7.7
159.11755	3.0
161.13232	2.5
163.14827	2.3
179.14313	32.6
189.16403	2.4
191.14325	3.1
197.13185	2.2
205.15800	2.2
214.70309	1.9
251.20081	12.7
275.20102	2.0
293.21057	10.1
293.28415	5.4
303.26831	13.4
321.27853	7.7
331.26309	47.4
347.17084	6.6
349.27386	100.0
350.27484	2.2
367.28442	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	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.05513	20.8
57.03447	2.1
57.07072	13.1
59.04981	2.7
65.03954	4.7
67.05505	43.7
69.03422	8.5
69.07074	24.4
70.66376	4.5
71.04989	7.1
76.91675	1.7
79.05499	40.4
79.87294	2.2
81.07066	57.1
83.04979	6.8
83.08609	9.4
85.06547	6.7
91.05489	56.3
91.06078	2.1
93.06478	3.9
93.07052	80.5
95.04973	30.6
95.08611	65.1
96.02931	1.7
97.06529	14.9
97.10147	2.2
103.05463	4.6
105.04547	2.4
105.07036	96.8
107.04978	2.4
107.08603	64.9
109.06522	16.2
109.09464	3.6
109.10169	46.4
111.08080	6.4
115.05447	5.7
116.06221	3.5
117.07011	21.8
118.07832	2.1
119.08586	100.0
121.06519	12.4
121.10149	44.5
123.08103	6.8
123.11730	16.3
125.09612	2.5
128.06213	14.1
129.07016	19.5
130.07762	8.9
131.08574	64.4
131.09537	3.9
133.06500	3.3
133.10139	59.6
135.08070	21.5
135.11700	26.2
137.09624	5.7
141.07002	5.5
142.07817	20.2
143.08560	40.5
144.09331	10.1
145.06476	2.6
145.10136	72.8
146.07297	6.9
146.10944	2.6
147.08072	13.0
147.11702	26.2
149.09633	17.6
149.13327	5.4
155.08536	13.0
156.09346	14.3
157.10139	57.3
158.10938	8.7
159.08078	7.3
159.11703	41.2
160.12465	4.5
161.09633	47.0
161.13293	9.0
163.11189	6.8
163.14900	2.8
165.06996	4.0
166.07828	2.4
167.08601	6.5
168.09404	4.3
169.10149	20.8
170.10918	8.6
171.08316	1.9
171.11703	32.7
172.12474	5.4
173.09589	9.0
173.13292	26.9
175.11209	8.5
175.14844	22.9
177.12758	2.8
179.08537	10.9
180.09399	3.2
181.10146	8.2
182.10924	7.8
183.11697	21.2
184.12419	4.3
185.09587	3.4
185.13263	15.9
187.11235	3.4
187.14818	13.5
189.12758	3.6
189.16423	2.8
192.09271	2.8
193.10143	3.6
194.10956	7.0
195.11691	12.3
196.12512	4.4
197.13232	16.8
198.14038	4.1
199.11226	2.6
199.14842	15.4
201.11060	2.0
201.12808	7.5
201.16429	8.0
203.14401	3.6
207.11816	4.3
208.12555	2.8
209.13287	24.9
211.14830	12.9
213.12758	7.2
213.16394	8.2
215.14305	4.5
220.09286	2.1
221.13292	6.2
223.14825	7.1
225.16383	4.0
227.14313	20.9
229.15800	2.7
235.14786	3.5
237.16301	3.4
238.88632	1.9
239.17874	8.8
245.55038	2.4
247.14902	2.4
249.16457	3.1
251.17960	4.7
255.17467	6.1
257.19064	7.0
265.19522	7.1
266.20392	2.9
269.19070	5.2
275.17914	2.7
283.20667	2.2
291.21399	2.7
293.19025	4.5
349.25137	12.7
367.26392	15.1
378.01230	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	367.2457
Annotation	15-epi-Sibiricinone E
Peak:m/z	Relative Intensity
53.03952	0.7
55.01869	2.2
55.05516	3.4
56.96560	1.5
57.03432	1.2
59.72453	0.5
67.05505	5.8
69.03435	0.7
69.07064	3.2
71.04990	1.2
71.36638	0.9
72.15458	0.5
77.00898	0.6
79.05495	6.0
81.03419	1.4
81.07050	5.1
83.04965	1.5
83.08618	1.5
85.02951	0.7
85.06535	0.7
91.05479	4.6
93.07050	4.7
95.04967	1.5
95.08598	3.9
96.33502	0.5
97.02898	2.7
97.06515	2.7
97.10179	1.1
98.97569	1.1
99.04462	0.7
105.03414	0.5
105.07019	4.3
107.04948	1.5
107.08598	4.2
109.06529	1.1
109.10149	3.6
111.04485	0.6
111.08079	1.3
117.06987	1.3
119.08582	3.4
121.06512	0.5
121.10159	2.2
122.65861	0.5
123.08088	1.0
123.11715	0.6
125.09642	1.3
131.08580	2.2
133.10112	3.0
137.09602	0.9
143.08572	0.6
145.10146	1.9
147.11754	1.1
149.09613	2.7
149.13408	0.6
151.11142	0.9
159.11714	1.6
161.09627	0.6
161.13310	1.0
163.11208	1.1
173.11778	0.6
173.13260	0.8
177.12788	0.5
181.12280	0.5
189.11206	0.8
195.09993	0.9
201.09648	0.5
202.05589	0.6
229.07574	0.8
231.10806	1.7
238.25148	0.6
257.19119	1.1
267.14447	0.8
269.10556	0.7
275.20053	5.1
279.92422	0.6
285.15622	0.8
293.21097	1.5
335.20840	1.7
337.22775	0.7
349.23929	4.3
358.16620	0.7
367.24579	100.0
368.24811	2.6
385.24182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2117
Annotation	Coetsanoic acid
Peak:m/z	Relative Intensity
55.01860	1.9
55.05503	3.9
56.96566	1.7
57.07086	3.2
67.05510	12.0
69.03436	4.6
69.07065	5.1
71.04976	2.5
71.54162	2.3
79.05498	11.9
81.03416	3.9
81.07050	26.4
83.04990	2.1
85.02899	2.7
85.06545	2.4
89.31341	1.5
91.05486	14.3
93.07050	19.6
95.04993	2.4
95.08606	21.1
97.06517	2.0
98.97607	3.4
105.07022	14.9
107.04924	3.6
107.08601	19.9
109.02883	3.7
109.06506	4.8
109.10161	17.5
111.08101	1.6
117.07006	3.9
118.33093	1.7
119.04974	2.9
119.08579	14.3
120.08131	1.5
121.06497	3.3
121.10144	13.6
123.11669	2.0
125.09592	1.9
127.03924	2.1
129.07079	3.2
131.04962	1.7
131.08545	8.3
133.02859	6.0
133.06502	1.8
133.10127	21.3
135.08035	3.3
135.11668	7.1
137.05995	14.1
137.09621	4.0
137.13245	2.0
138.01482	1.6
138.09154	1.8
139.07475	2.7
141.07002	3.1
142.07770	2.3
143.08572	6.0
145.10100	9.7
147.08044	2.8
147.11682	5.5
149.06001	3.4
149.09601	4.6
149.13272	2.2
151.07524	1.9
151.11238	2.2
153.09131	4.4
155.07144	2.8
155.08527	5.3
157.06467	1.6
157.10129	7.9
157.26456	1.7
158.99788	1.5
159.08061	3.4
159.11708	9.7
161.06012	2.6
161.09615	2.3
161.13295	2.3
163.11142	2.0
165.09120	14.4
167.07043	14.7
169.10101	4.9
171.11670	3.9
173.09691	2.2
173.13257	3.4
177.09132	2.2
177.12816	2.4
182.07498	1.4
183.11740	4.4
185.13306	3.9
187.07542	2.2
187.11256	3.9
197.13258	5.9
199.07542	2.2
199.14835	5.3
211.14859	3.2
213.09128	4.4
227.17960	2.8
229.19572	1.8
239.17976	17.7
241.19508	10.3
247.07899	2.6
255.17401	2.7
257.06784	1.7
257.09497	1.5
257.18985	29.8
267.17578	9.5
275.20038	18.3
283.16949	1.8
285.18460	17.5
301.17944	9.0
303.19479	16.1
313.18033	13.7
321.20560	13.3
331.19016	12.7
349.20084	100.0
350.20538	2.8
367.13474	4.3
367.16843	17.9
367.21500	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.3
53.03938	6.2
53.87493	1.9
55.01876	11.5
55.05273	3.9
55.05515	52.8
55.70370	2.2
57.03422	7.0
62.78728	2.2
67.05511	65.1
69.03423	3.2
69.07076	17.0
71.04983	5.8
71.56847	3.0
79.05498	100.0
81.03441	2.5
81.07060	50.4
83.04990	33.2
83.08617	12.8
85.06538	4.0
91.04971	3.5
91.05483	43.6
93.06484	4.1
93.07048	67.4
95.04968	11.4
95.08607	23.1
97.06537	4.6
97.10175	21.3
105.04540	2.8
105.07034	42.4
106.43239	2.3
107.04292	3.4
107.04960	35.2
107.08602	71.0
107.62396	2.2
109.06499	3.7
109.10174	30.0
111.08113	5.1
117.07034	15.7
119.08587	32.7
121.06509	4.6
121.10149	28.2
123.08089	2.8
123.11714	10.0
125.09638	24.3
129.06984	3.8
131.08592	18.8
133.10144	29.4
135.08037	9.9
135.11671	7.4
137.09601	2.5
145.10139	13.8
147.11673	19.7
149.09628	72.5
153.09084	3.1
157.10002	3.3
159.11717	14.0
161.13240	6.8
163.11168	3.8
163.14777	5.8
169.12268	10.5
173.11740	5.6
173.13222	6.6
183.11684	3.0
185.13274	2.3
187.11067	2.7
187.13280	5.5
189.11226	18.9
191.14262	2.9
197.13219	3.3
209.15399	9.4
215.17953	3.0
227.12778	9.2
229.19670	5.2
239.17924	5.7
245.13754	7.3
247.20607	3.1
257.19110	13.9
275.20074	78.8
276.20578	2.5
290.19077	2.3
330.64600	2.3
349.23727	75.0
367.24551	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05523	1.2
57.03425	2.9
59.05008	1.7
61.02929	2.4
67.05516	3.6
69.03430	4.4
69.07072	57.1
70.77173	1.0
70.77490	1.8
71.04977	2.7
79.05491	1.2
81.03417	1.9
81.07064	22.2
83.04981	5.3
83.08608	1.1
85.02910	20.6
85.06551	1.9
86.09724	1.1
87.04465	1.2
91.05509	1.0
92.77155	0.9
92.77750	1.2
93.07045	1.5
95.05003	1.9
95.08625	4.0
97.02906	4.6
97.06528	1.9
98.43610	1.1
98.97591	1.2
99.04462	1.7
101.06023	51.3
105.07044	1.7
107.08588	12.3
109.02900	1.9
109.06528	14.7
109.10165	7.1
111.08066	1.1
123.08110	1.3
123.11720	39.7
125.09625	5.6
127.03918	3.6
127.07555	7.7
130.06587	1.2
130.48729	1.0
133.10158	3.1
145.04974	4.5
151.11185	15.3
169.12253	100.0
170.12613	1.2
187.13307	33.4
198.05453	1.1
251.93983	1.0
307.00046	1.0
366.11304	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95687	0.9
53.03944	1.6
53.77155	0.7
55.05499	2.5
57.03435	1.5
60.04534	1.6
61.02908	2.6
65.03898	0.8
65.93005	0.8
67.05496	2.8
69.03416	4.0
69.07066	1.3
71.04993	9.8
71.33092	1.6
79.05491	14.5
81.03425	2.0
81.07056	100.0
83.04980	7.1
83.08598	3.2
85.02901	13.6
86.09686	0.9
87.04470	3.4
91.05471	3.9
93.07043	14.1
95.04948	2.4
95.08567	2.1
97.02885	3.2
97.06518	0.9
98.97552	1.1
99.04453	1.5
99.08083	4.2
101.06048	1.2
105.07011	4.4
107.04946	0.9
107.08572	3.5
109.02850	1.2
109.06569	1.3
109.10155	2.5
111.08073	1.8
111.64616	0.8
119.08534	0.8
120.08105	1.1
123.08050	1.6
123.11708	6.5
127.03919	4.3
133.10133	8.6
145.04933	6.1
150.43893	0.9
151.11192	7.1
163.05992	2.5
169.12193	6.9
207.10042	1.1
225.11118	1.5
231.08968	0.9
233.10114	1.1
243.12318	10.2
313.98175	1.0
329.30615	0.9
346.07578	1.0
348.26678	1.4
375.28226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01860	1.1
55.05514	3.5
57.07070	3.2
58.27790	0.5
65.03952	0.5
67.05495	3.8
67.76341	0.6
69.07069	4.8
69.50411	0.5
71.08643	1.1
71.36526	1.1
79.05489	2.4
81.07064	5.3
83.08610	1.3
85.06548	2.0
91.05464	1.6
93.07040	4.1
93.78897	0.6
95.04940	1.1
95.08614	4.9
97.06531	1.8
97.10172	0.8
105.07029	1.7
107.08617	4.0
109.06506	2.1
109.10164	2.0
111.04453	2.7
115.78316	0.6
117.07056	0.6
119.08579	2.0
121.10199	1.4
123.08103	4.2
123.11726	0.6
124.08855	0.9
125.05981	1.6
133.10103	1.8
135.08046	1.8
135.11678	2.4
137.06033	1.5
145.10104	1.7
147.11691	1.6
149.09637	1.7
151.07533	2.9
152.08330	2.8
163.11276	0.7
165.09122	12.1
165.12721	1.2
166.09779	1.1
177.09045	1.0
179.10655	1.8
179.14262	0.8
181.12332	0.9
193.12274	1.7
195.13911	0.7
208.14532	1.8
221.15421	2.5
221.19049	1.0
235.20486	0.9
249.18445	1.0
263.20129	1.2
291.19397	0.7
298.18924	0.7
305.24728	12.1
319.26367	6.6
347.25818	50.7
365.26889	100.0
366.27274	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	366.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.8
70.35378	2.5
98.97591	4.0
101.00891	1.5
104.45176	0.7
116.98616	2.4
119.01913	2.1
154.68620	0.7
161.24271	0.8
177.00970	6.8
198.97884	0.9
201.01013	1.3
214.69550	0.8
216.98929	4.0
217.04079	1.2
219.02042	13.6
222.97902	1.2
225.00995	1.1
235.00014	8.0
240.98952	8.1
243.02060	2.8
253.01004	1.7
259.00009	32.7
259.99951	2.1
261.03082	32.3
262.03152	1.2
263.03018	1.3
264.98941	3.5
274.97559	1.3
277.01065	21.6
278.01187	1.3
283.00009	73.4
284.00107	3.6
284.04858	0.9
291.99609	1.0
292.98785	0.8
301.01065	100.0
302.01154	5.3
303.01102	1.0
319.02271	5.1
324.02643	2.3
325.01047	13.1
326.01535	1.0
343.02130	61.2
344.02338	2.7
361.03168	14.3
366.03708	2.0
385.03244	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03942	0.3
55.01863	0.3
55.05505	0.8
55.48760	0.3
57.07074	2.8
61.27734	0.3
67.05517	1.8
69.07058	1.1
71.05001	0.2
71.08641	0.3
79.05492	0.9
81.07063	2.0
83.08624	0.4
85.06548	1.2
91.05481	1.1
93.07040	1.5
95.04970	0.8
95.08603	2.0
97.10149	0.3
105.07016	1.0
107.08588	1.0
109.06503	1.2
109.10190	0.7
111.04447	0.3
111.08083	0.3
113.77040	0.3
119.08549	1.1
121.10146	0.6
123.08091	2.8
124.08855	1.4
124.09603	0.2
125.06030	0.3
129.07077	0.3
131.08580	0.6
133.10143	0.7
135.08044	0.7
135.11703	0.5
137.05972	1.0
137.09569	0.5
143.08582	0.3
145.10109	0.9
147.11659	0.7
149.09636	0.3
151.07549	2.9
151.11169	0.4
152.08328	5.8
157.10173	0.8
159.11681	0.5
161.09654	0.5
165.09120	7.8
166.09889	0.7
171.11713	0.4
177.12680	0.4
179.10646	1.4
179.14374	0.4
181.12230	0.5
183.11742	0.4
185.13240	0.5
187.14716	0.3
191.10643	0.2
194.13029	3.8
195.13715	0.3
203.14417	0.3
207.11913	0.4
207.13850	1.6
209.13327	0.3
229.22765	0.3
235.16954	0.8
249.18520	0.9
263.20041	2.1
274.33536	0.3
277.21674	0.4
291.19467	0.6
304.98315	0.3
319.26404	1.1
337.27319	0.3
347.21475	0.5
347.25836	15.9
365.26889	100.0
366.27435	2.0
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	Galbonolide C
Peak:m/z	Relative Intensity
52.11529	1.1
53.03936	4.0
55.01878	7.6
55.05235	1.8
55.05509	31.7
56.96555	4.6
57.03440	10.7
61.02909	1.7
62.17986	1.0
67.05509	32.8
69.03430	16.5
69.07071	38.7
71.04993	3.1
71.38463	2.3
72.93776	1.5
79.05499	29.2
81.03432	8.7
81.07061	26.5
83.04979	6.2
83.08625	12.2
85.02894	1.8
85.06518	1.8
90.04837	1.3
91.05489	15.4
93.07049	21.8
95.04965	10.2
95.08614	12.7
97.02901	17.1
97.06531	4.6
97.10184	18.4
98.97533	1.3
99.08114	1.8
105.07033	10.7
107.04967	8.4
107.08605	13.3
109.06522	2.6
109.10180	10.8
111.04419	1.6
111.08070	1.9
117.07011	8.0
119.08586	10.9
121.06495	3.0
121.10147	5.8
123.08062	3.3
123.11724	1.3
125.09634	14.0
128.06200	1.3
128.78673	1.0
128.98633	1.1
129.06993	4.0
131.08548	6.0
132.10896	1.1
133.06479	2.1
133.10129	6.0
135.08058	4.2
135.11679	2.1
137.05917	2.8
137.09616	3.5
143.08597	2.3
145.10112	7.2
147.08067	5.3
147.11676	4.3
149.09633	1.7
149.13318	1.8
157.10155	3.1
158.99617	1.3
159.08162	1.3
159.11690	3.9
161.09666	2.6
161.13217	1.4
163.11197	2.6
165.09178	1.2
171.10172	1.9
171.11520	1.5
175.11209	2.4
177.12794	1.9
185.47929	1.6
189.11255	8.9
189.12738	1.6
192.39001	1.1
195.13857	1.4
203.14233	1.5
205.12318	1.9
223.13287	35.0
227.12886	1.7
245.19032	1.4
259.60254	1.3
263.20212	2.0
267.09067	3.6
268.09372	2.4
268.16687	1.1
269.10562	1.3
271.06226	1.3
273.18457	13.2
285.10165	3.9
291.19550	100.0
292.20044	2.0
339.64993	1.9
347.22202	2.0
365.23233	58.1
372.49918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01863	10.0
55.05516	35.2
56.96555	9.4
57.03427	12.0
57.07059	3.2
61.02921	6.0
61.33046	2.5
67.05509	64.6
69.03440	18.1
69.07075	36.2
69.77658	14.8
71.04989	5.3
74.72707	2.5
79.05493	43.7
81.03454	13.0
81.07057	53.0
83.04992	7.6
83.08617	13.3
85.02881	3.7
85.06549	6.2
91.05488	38.5
91.06037	4.6
92.67168	2.5
93.07048	40.6
95.04964	13.1
95.08614	29.4
97.02877	16.6
97.06540	5.7
97.10158	15.8
102.79526	2.9
105.07031	27.5
107.04929	13.0
107.08595	25.5
109.06509	7.2
109.10168	22.7
111.08078	6.2
113.06013	5.6
117.07020	11.5
119.08590	22.2
121.06523	5.9
121.10139	7.6
123.08051	5.0
123.11720	6.2
125.09631	14.0
129.07047	4.9
131.08566	11.7
133.06442	4.7
133.10126	28.8
135.08057	9.1
135.11659	6.7
137.09625	6.1
139.11119	3.0
145.10117	9.7
147.08054	7.8
147.11717	3.6
149.09589	9.2
151.11179	16.2
157.10110	5.3
159.08110	4.0
159.11716	4.7
161.09613	7.7
161.13260	3.3
165.79218	3.4
171.11745	3.4
175.11255	3.1
189.11186	7.8
193.12389	2.9
223.13316	27.6
227.12640	3.5
245.04718	3.0
245.18948	5.5
253.14436	8.2
267.09048	10.4
269.10754	3.5
273.18460	27.5
279.12173	3.4
285.10098	7.4
286.10294	3.4
291.19571	100.0
336.15814	3.5
339.64810	7.6
347.22260	5.7
347.27588	2.9
365.23221	86.8
365.27045	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03941	6.7
55.01873	10.6
55.05518	17.8
56.96560	6.6
57.03440	9.3
57.07067	7.7
59.05005	7.5
61.02926	7.8
65.03953	4.9
67.05507	24.2
69.03133	2.9
69.03441	29.4
69.07083	28.2
71.01362	3.9
71.04999	26.1
71.31062	2.9
71.46383	6.2
73.02911	11.8
79.05499	23.0
80.59976	4.0
81.03419	23.0
81.07057	46.7
83.04971	11.6
83.08607	5.4
85.02914	29.9
85.06535	10.8
87.04480	4.0
90.25322	2.9
91.05492	31.5
93.07046	38.7
93.07578	5.2
95.04963	10.8
95.08620	53.2
97.02906	17.4
97.06535	14.7
97.10182	4.3
98.97587	3.6
99.04431	5.4
99.08091	3.2
101.02371	3.0
103.03951	7.8
103.08346	2.9
105.06388	5.6
105.07030	56.1
107.04923	10.1
107.08589	49.3
109.02877	4.1
109.06538	11.4
109.10142	25.3
111.04443	6.5
111.08054	3.7
115.03936	3.5
117.06985	16.3
119.04940	11.5
119.08585	63.9
121.02866	3.6
121.06503	7.3
121.10149	33.4
123.04366	3.8
123.08054	7.5
123.11719	15.3
125.06005	4.2
125.09641	12.0
127.03906	9.3
127.11161	15.5
128.06200	7.4
129.06990	10.8
131.08577	31.1
133.06528	4.2
133.10139	44.0
135.08063	9.6
135.11693	18.1
137.05977	7.8
137.09619	14.3
141.07066	4.6
142.07747	6.2
143.08574	27.3
143.10681	5.6
144.09360	4.7
145.04955	4.2
145.06488	4.3
145.10130	46.8
147.04385	3.6
147.08031	15.6
147.11687	34.1
149.09625	10.6
149.13271	14.7
150.13615	10.6
151.11156	5.7
155.08562	6.5
156.09395	4.6
157.10135	26.8
158.10884	5.4
159.06708	3.8
159.08086	12.8
159.11711	51.9
160.88707	3.0
161.09599	9.4
161.13249	16.4
163.11203	7.4
165.09189	3.4
165.12646	3.8
167.10638	3.9
169.10146	13.2
171.08067	12.2
171.11668	27.1
173.09612	10.5
173.13278	29.8
175.07597	7.0
175.11253	8.0
175.14847	12.4
177.12657	4.9
177.16389	4.6
179.08722	5.7
180.09402	4.2
181.10146	4.4
183.11772	17.8
185.09616	4.2
185.13295	15.1
187.11192	4.8
187.14825	17.1
189.09091	7.8
189.12759	7.2
189.16432	18.9
193.10152	4.1
195.11748	6.6
197.13235	13.0
199.11313	5.0
199.14813	8.0
201.12785	7.3
201.16389	26.4
203.14554	4.6
203.17958	9.0
207.10176	11.7
207.11896	4.6
209.11600	6.2
209.13350	7.7
210.13785	3.9
213.12761	5.8
213.16351	14.1
215.14342	3.3
215.17972	14.2
217.15961	3.4
217.19571	3.4
219.17429	6.4
223.14893	4.8
225.12888	9.0
225.16389	7.7
227.14378	5.2
227.17963	8.4
229.15878	4.8
229.19586	4.8
231.17412	14.0
233.18999	6.1
241.15883	5.5
243.13823	8.8
243.17427	7.6
245.15221	3.3
245.19012	11.7
257.19070	5.5
261.14908	7.3
263.16464	4.8
269.19104	6.8
275.20032	5.3
279.15936	6.0
287.20023	5.6
299.20010	7.5
311.20068	17.9
329.21182	33.8
347.18384	5.6
347.22153	48.2
365.15472	7.2
365.19669	8.7
365.23291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1574
Annotation	Arg Cys Ser
Peak:m/z	Relative Intensity
55.93934	0.2
61.13985	0.2
63.55824	0.2
67.05470	0.3
69.03438	0.2
69.79227	0.9
79.63614	0.2
84.45977	0.2
86.82245	0.2
121.10159	0.3
124.97067	0.2
147.02673	0.2
186.12073	0.3
187.11002	0.6
201.03793	0.3
203.10368	1.9
251.39752	0.2
365.15753	100.0
366.16077	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99429	3.7
53.03935	10.1
53.55816	4.0
55.01868	15.7
55.05522	35.0
56.31731	4.0
56.96556	8.6
57.03440	23.7
57.07079	10.5
57.88923	3.2
59.05006	33.4
59.27532	3.4
65.03925	4.2
67.05508	92.0
69.03426	12.1
69.07073	38.3
70.96070	8.5
71.04979	8.5
79.05505	58.5
81.03417	13.1
81.07063	100.0
81.84368	3.5
83.01310	4.5
83.04990	21.2
83.08612	15.6
84.96021	3.9
85.06552	8.9
91.05488	98.4
93.07048	63.0
95.04961	23.8
95.08601	34.7
97.02892	4.3
97.06526	13.8
97.10162	5.0
105.07037	66.6
107.04950	23.0
107.08598	55.1
109.06506	15.2
109.10161	51.2
111.08113	6.5
115.11204	6.3
116.41253	3.6
117.07008	17.2
119.08586	20.0
121.06496	12.6
121.10146	21.4
123.08037	8.3
123.11694	11.9
125.05991	6.0
125.45193	4.2
128.06192	6.1
129.06973	7.5
131.08597	27.4
133.06497	9.4
133.10139	85.0
135.08076	19.0
135.11707	9.1
143.08585	8.1
145.10173	5.4
147.08031	6.4
147.11667	10.8
149.08463	3.6
149.09567	19.0
151.11188	45.4
153.09148	4.0
157.10146	7.7
159.08047	6.0
159.11670	5.1
161.09610	12.7
161.13237	5.4
169.12189	5.9
171.11627	6.8
173.15334	5.7
177.09090	7.5
180.50893	4.0
215.12769	5.8
223.13301	3.9
227.17989	5.4
245.19031	14.1
253.14406	56.5
263.20090	6.9
269.13834	5.9
273.18478	31.8
291.19525	38.7
347.22107	7.8
365.10458	5.0
365.16046	4.9
365.23233	81.9
365.27155	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01872	9.6
55.05510	11.2
56.96558	4.5
57.03445	4.9
67.05508	18.3
69.03419	9.9
69.07073	23.5
70.95871	7.4
71.55221	5.3
71.89831	3.1
72.93783	9.7
79.05505	22.0
81.03401	5.5
81.07063	25.4
83.04997	5.4
83.08629	3.5
88.08540	3.3
88.96891	3.4
90.94826	4.0
91.05493	14.5
93.07053	17.8
95.04977	22.7
95.08611	8.3
97.02909	2.8
97.06557	3.7
99.64481	2.7
105.03403	15.5
105.07035	12.9
107.08613	13.5
109.06512	17.4
109.10135	10.2
117.07031	6.7
119.08585	9.9
121.10155	7.8
123.04432	11.9
123.08025	4.1
125.09677	5.3
131.08537	4.3
133.06528	6.7
133.10144	7.4
135.04495	3.7
135.08073	6.2
137.05995	33.5
141.05450	7.8
145.10117	7.7
147.08131	3.7
147.11673	3.8
149.09627	3.3
149.13326	8.8
151.07567	23.5
155.03461	3.9
157.10118	4.4
169.05060	3.6
177.09123	14.6
179.07036	37.4
183.56381	3.7
197.08102	100.0
215.09192	11.3
223.09692	9.7
259.06384	16.1
271.06348	9.5
285.10175	5.2
291.19568	8.6
294.07910	3.6
341.19864	11.0
341.64969	3.4
347.13074	36.7
365.14236	10.7
365.23691	15.6
365.71478	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05529	0.7
55.99537	0.7
56.96579	0.8
57.07088	1.2
67.05499	2.7
69.03433	1.4
69.07061	1.4
71.04997	2.6
71.54382	0.9
72.08140	0.9
72.23270	0.7
78.68833	0.7
79.05499	2.3
81.03413	1.2
81.07049	3.6
83.04957	0.9
85.02904	1.7
85.06548	1.2
87.04489	1.2
91.05481	2.3
93.07055	2.9
95.04955	1.5
95.08627	2.1
97.02902	0.7
97.06538	1.2
97.10210	0.8
98.97567	1.5
105.07016	2.3
107.04976	1.4
107.08576	1.7
109.06512	1.1
109.10133	0.9
119.08572	1.1
121.10172	2.2
122.06049	1.9
123.04444	0.9
123.08128	0.8
127.03928	0.7
131.08575	0.8
133.10136	1.6
135.11720	1.1
137.09651	0.9
138.05548	1.5
140.07072	1.5
142.96484	0.7
143.04887	1.1
145.04935	0.7
145.10129	1.3
147.09242	0.8
148.03922	1.5
148.07600	3.6
149.13268	1.0
158.06023	0.9
160.07689	0.7
163.11177	1.8
166.05028	3.2
168.06601	1.6
170.09659	0.7
171.09192	1.2
172.07596	2.7
174.09123	2.4
175.08717	4.9
176.07109	7.1
176.09511	1.1
185.07121	1.1
185.09431	2.0
185.15340	1.4
186.05524	0.9
186.09149	1.2
187.10944	1.5
189.10226	2.8
190.08653	1.4
191.08142	0.9
196.07619	0.9
198.07712	1.4
199.08684	5.9
200.07085	4.5
201.03743	1.4
202.08725	2.1
203.05272	2.7
203.08205	14.3
203.10435	2.6
204.06596	1.4
204.10356	0.9
213.06447	0.8
213.10136	3.7
214.08688	2.7
217.09779	14.0
218.08110	1.6
222.07846	0.8
223.08629	0.9
224.07088	1.7
227.08177	13.0
228.06613	2.6
229.09631	1.6
231.07803	1.2
231.11336	1.5
234.10150	1.0
235.10933	3.5
241.09668	8.4
242.08078	4.1
244.09773	1.2
245.09230	39.6
246.07700	1.6
247.10860	2.0
250.07104	1.8
259.10825	9.7
260.09174	1.0
263.10272	23.3
264.10913	0.9
269.09274	3.2
270.07693	1.2
273.08691	2.7
277.11685	1.2
287.10281	19.8
287.13489	1.2
289.11935	1.5
291.09750	6.3
294.77383	0.8
305.11322	69.4
306.11777	1.4
311.22067	1.2
315.09729	4.1
323.12360	19.2
330.80048	0.9
333.10788	16.9
347.12509	0.8
365.15631	100.0
366.16425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
53.20554	0.5
55.01872	1.5
55.05496	2.8
55.76016	0.6
57.03423	0.9
57.07078	17.9
59.04993	0.8
60.04523	1.1
67.05486	1.8
69.03413	2.1
69.07046	1.6
71.05019	3.7
71.56624	1.0
79.05445	0.8
81.03411	1.0
81.07047	1.8
83.04989	5.7
85.02884	2.8
85.06548	4.9
87.04462	0.6
91.05483	1.6
93.07035	1.8
94.06574	0.7
95.04980	0.6
95.08611	0.9
96.04488	0.6
97.02894	1.2
97.06494	0.7
98.97581	1.1
99.04449	1.1
101.06022	5.7
105.06971	1.2
107.08605	1.0
109.02834	1.1
109.10186	0.9
115.07583	1.5
116.98542	0.7
120.04445	1.3
121.10154	1.1
122.06033	1.5
123.04426	0.6
123.08056	0.9
124.03922	0.8
127.03947	3.1
129.05418	1.3
131.08549	0.6
133.10095	0.6
135.11710	0.7
138.05476	2.4
140.07045	1.6
141.01814	0.6
144.08084	0.8
147.04399	0.8
147.08090	0.6
148.03925	1.0
148.07538	3.6
160.07553	1.4
161.10765	0.7
164.07053	0.6
166.05008	4.7
167.10657	0.9
168.06575	1.9
169.12242	1.5
171.09207	1.3
172.07559	1.8
174.09177	2.9
175.08667	5.0
176.07104	6.7
178.08641	0.7
184.07675	0.7
185.07153	1.1
186.05496	0.8
186.09195	1.0
189.06573	1.3
189.10284	3.1
190.08640	1.7
194.08087	0.8
198.07635	1.1
198.09207	1.7
199.08696	5.7
200.07095	4.6
201.10213	0.9
202.07077	0.9
202.08640	2.1
203.03175	12.8
203.05154	1.3
203.08189	13.8
204.06575	1.8
207.11218	0.9
213.10258	3.4
214.08601	2.3
217.09779	13.8
218.08195	1.3
224.07031	1.3
226.08815	0.7
227.08173	13.6
228.06541	2.1
228.08698	1.2
229.09511	1.1
229.10216	1.5
229.10733	1.6
231.11278	0.7
235.10785	3.7
241.09764	6.6
242.08185	4.5
245.09241	39.5
246.07629	1.5
247.10791	2.3
250.06924	1.0
259.10834	8.7
260.09000	1.2
263.10291	25.6
269.09259	4.1
270.07578	1.0
271.10693	1.0
272.09219	0.7
273.08716	4.1
277.11700	1.6
287.10257	17.2
287.13422	1.0
289.11758	2.0
291.09799	7.0
297.08752	0.9
305.11331	67.0
306.11746	0.8
315.09674	1.6
323.12384	23.8
333.10779	15.2
347.16840	2.1
365.08691	5.8
365.13351	100.0
366.13571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42686	0.4
53.03927	0.5
57.03405	0.6
59.05002	6.6
60.04484	1.2
61.02906	0.8
67.05466	1.5
69.03432	2.9
69.07034	0.8
71.04951	1.3
71.29554	0.7
71.29890	0.7
79.05452	1.4
81.03389	1.0
81.07059	2.9
85.02908	6.4
85.06501	0.9
87.04472	9.0
91.05451	1.1
93.07011	1.3
95.08566	0.9
97.02888	3.3
97.06502	0.9
98.97586	0.9
99.04421	0.6
99.08064	0.8
105.04854	0.6
105.05507	6.1
107.08579	0.9
108.08897	0.6
109.02859	1.5
109.10115	0.8
112.79344	0.5
119.08556	0.8
121.10146	0.8
127.03929	3.9
133.10085	0.5
137.05931	0.5
145.04939	3.1
163.05977	0.7
166.05066	0.5
167.14307	0.8
168.10989	0.6
171.00529	1.6
185.04237	6.4
185.15382	0.8
203.03160	100.0
203.16393	0.5
204.03511	0.7
213.07462	0.6
217.09798	0.7
227.08173	0.7
231.08672	1.6
244.05859	0.6
245.09167	2.4
249.09705	1.9
259.10870	0.5
263.10324	1.9
287.10294	1.2
305.11295	3.7
311.22000	0.6
323.12558	1.4
333.10812	1.1
362.24222	0.5
364.27069	0.5
365.08521	42.1
365.13354	5.4
365.27289	0.8
366.08835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.0
56.96566	15.4
57.03443	13.1
69.03436	10.3
69.07109	7.2
69.50097	27.7
69.50520	19.8
71.04984	19.5
71.99268	6.9
74.55403	7.7
79.05484	17.3
81.07066	28.9
84.96073	8.4
85.02920	12.7
85.06525	10.5
91.05480	14.8
93.07046	27.1
95.08638	25.3
97.06551	7.0
98.97591	52.3
105.07038	11.6
107.04987	10.8
107.08588	23.2
109.02862	8.7
110.97581	27.5
116.98630	20.0
119.08587	8.5
128.98596	33.9
129.07016	8.1
137.06068	8.6
146.99666	16.4
149.13243	20.8
150.13564	13.0
168.14735	10.3
185.04355	6.8
185.15419	19.2
186.15697	10.2
189.12813	6.8
203.05252	7.0
219.01848	48.7
224.03534	11.1
237.02791	100.0
255.03926	8.4
347.22107	9.3
365.10120	41.9
365.15665	93.7
365.19556	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15745	0.5
61.15599	0.5
70.03913	1.9
80.08006	0.7
82.99820	0.5
101.00868	1.3
103.61143	0.5
118.97244	0.5
119.01964	1.7
128.38554	0.6
139.02423	0.6
143.01904	2.1
155.01907	1.7
161.02954	1.6
167.01967	1.2
167.72179	0.5
173.02948	1.1
185.02930	1.8
185.04259	16.6
196.23306	0.6
197.02974	1.3
203.05275	43.2
238.11830	0.5
245.05078	7.2
263.06131	0.6
365.10602	100.0
366.10904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.8
59.39584	0.7
64.74864	0.6
70.83283	1.8
75.84988	0.6
93.72308	0.6
98.97611	1.9
101.00872	1.0
117.69984	0.6
119.01924	1.1
143.01904	1.8
145.03477	0.8
146.80403	0.6
155.01932	0.8
161.02991	0.9
167.01907	0.6
170.96101	1.0
173.02994	1.2
179.48567	0.8
185.03023	1.5
185.04271	16.0
197.02968	1.2
203.05281	41.8
215.04018	1.0
230.98210	1.1
245.05066	5.0
263.06097	1.2
365.10553	100.0
366.10709	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64649	0.4
59.41493	0.4
69.03423	0.6
69.62286	2.6
71.04993	0.6
74.62600	0.4
81.03391	0.6
85.02892	0.6
91.05455	0.6
93.07042	0.8
95.08620	0.8
106.55219	0.4
107.04979	1.2
107.08601	1.0
109.10147	0.5
119.08569	0.6
123.25616	0.5
130.22903	0.5
133.10130	0.5
181.35216	0.5
182.79306	0.6
182.81293	0.4
185.04272	2.5
195.19852	0.5
203.06827	1.7
226.12819	0.5
299.48526	0.5
365.12085	100.0
366.12396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01869	1.3
55.05511	2.3
56.96553	2.7
57.03432	2.0
57.07088	1.2
61.02919	3.4
61.03193	0.7
62.06612	0.6
67.05492	3.4
69.03426	4.5
69.07068	8.5
69.81877	3.4
71.04980	2.8
73.02934	1.1
78.04702	0.8
79.05498	4.4
81.03425	2.3
81.07059	12.2
83.08617	1.2
85.02911	20.4
85.06532	4.6
87.10825	0.9
91.03971	1.9
91.05467	4.4
93.06485	1.7
93.07049	22.7
95.04932	1.2
95.08614	8.3
97.02899	5.6
97.06525	1.1
98.97581	1.6
99.04426	1.8
105.07014	1.4
107.04935	1.0
107.08598	21.4
109.02882	2.3
109.10158	3.9
110.97611	0.8
111.08077	2.5
117.06983	1.0
119.08582	1.5
121.10151	17.0
123.04424	1.3
123.11706	28.7
127.03928	3.3
135.11684	1.1
145.04935	5.6
149.13264	100.0
150.13554	1.0
151.14795	1.2
158.99701	1.2
163.03995	1.1
165.09084	1.5
167.07043	10.5
167.14326	33.4
177.05518	1.0
179.07091	0.8
185.15427	6.5
229.69463	0.7
240.02963	0.8
287.13297	1.1
304.09637	1.0
310.09763	5.5
310.59799	2.1
313.10318	1.6
319.10220	2.3
328.10663	2.3
337.11322	0.9
337.61285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01858	3.2
55.05502	9.4
56.96558	10.5
57.03417	9.8
57.07066	11.4
58.32586	3.3
61.02919	11.4
67.05498	10.1
69.03430	22.4
69.07072	26.7
70.04877	3.7
70.30182	11.6
71.04978	7.5
73.02912	7.9
77.41721	4.0
79.05491	9.2
81.03402	11.0
81.07053	40.1
83.04971	11.8
83.08630	7.2
85.02439	5.4
85.02911	77.3
85.06541	16.6
88.86666	3.6
91.03936	6.3
91.05471	14.2
93.07050	61.5
95.04987	5.9
95.08606	37.6
97.02893	24.6
98.97579	10.3
99.04451	5.9
105.07032	7.7
107.04975	5.4
107.08594	63.3
109.02853	8.5
109.10139	13.7
110.97552	3.8
111.08086	6.3
119.08568	4.2
121.02861	10.9
121.10142	40.4
123.11722	46.3
127.03889	17.9
135.11653	5.8
145.04959	22.3
147.04445	8.0
149.13271	100.0
159.06314	4.0
167.07057	3.5
167.14288	29.9
212.33995	3.6
230.14264	3.5
245.05008	7.0
308.01932	4.0
337.10580	7.1
345.04108	4.4
365.19305	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	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01865	0.5
55.05514	0.4
56.96558	0.9
57.03425	0.8
60.04505	0.5
61.02905	0.7
64.23925	0.3
67.01357	0.3
67.05511	0.7
69.03428	1.8
69.07053	0.4
70.03761	0.3
70.06562	0.7
71.04974	0.5
71.54343	0.4
73.02906	0.5
78.04707	1.4
79.05510	1.9
81.03426	1.1
81.07051	1.1
82.70618	0.3
83.04971	0.7
84.08144	0.4
85.02909	3.4
86.09721	0.3
87.04499	0.4
90.05556	0.4
91.05469	2.0
93.07039	4.1
95.04962	1.1
96.08076	0.4
97.02890	1.5
98.97578	1.8
99.04435	0.6
105.03399	1.9
105.07027	0.7
106.04169	0.9
107.04940	1.3
107.08596	3.8
109.02876	1.0
109.06546	1.0
111.04408	0.4
114.95326	0.5
116.98611	0.9
119.04988	0.4
121.06507	1.8
121.10155	3.6
122.03668	0.4
123.04436	5.8
123.08006	0.3
124.05210	1.3
124.07629	0.4
127.03923	1.3
128.98604	0.4
131.08577	2.3
134.03642	0.3
135.04369	0.7
137.05922	0.7
139.07487	0.4
145.04971	0.6
147.04398	0.7
149.08421	0.6
149.09618	11.8
151.03862	0.6
152.04716	1.6
162.05525	1.5
163.03938	2.3
165.09227	0.4
167.07045	100.0
167.10681	13.7
168.07420	2.3
180.28122	0.3
185.11754	5.4
185.13260	0.2
190.05042	2.1
202.10741	0.7
208.99043	0.4
220.11806	0.4
223.02647	0.4
224.06549	0.4
237.02779	0.8
283.08691	0.4
346.25870	0.7
364.10342	0.8
364.16959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
53.03957	0.5
55.01871	1.0
55.05517	6.3
57.03423	0.5
57.07087	2.5
61.11659	0.6
61.25590	0.5
67.05520	5.8
69.07073	10.2
69.17731	5.3
71.04996	1.6
71.08627	2.1
79.05493	3.5
81.07055	11.9
83.04979	1.2
83.08626	4.1
85.06550	1.0
89.06017	1.2
91.05484	2.2
93.07049	5.5
95.04985	0.9
95.08614	9.7
95.74517	0.5
97.06556	2.0
97.10152	1.1
99.08110	0.8
103.36198	0.5
105.07027	3.6
107.08601	5.5
109.06525	7.6
109.10158	4.0
110.04906	0.5
111.08110	1.9
119.08595	3.4
121.10162	3.7
123.08073	54.2
123.11696	2.7
128.69249	0.5
131.08580	0.9
133.10138	3.3
135.08014	4.0
135.11700	1.9
137.09613	3.3
137.13228	0.6
145.10124	1.3
147.11688	2.2
149.09663	1.5
149.13243	2.1
159.11710	1.5
161.13261	1.1
163.11166	0.8
165.12798	0.7
173.49113	0.5
177.12703	0.8
179.14323	15.3
186.15919	0.5
193.15906	0.9
200.16394	0.6
275.20093	1.7
289.25342	0.9
295.22717	1.0
307.22632	6.9
331.26291	4.4
345.28058	0.7
363.28937	100.0
364.29242	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.61409	0.3
55.55807	0.3
56.96560	0.6
61.02920	0.7
68.42127	0.3
69.03425	1.3
70.12333	1.3
71.05000	0.4
73.02926	0.6
78.04697	1.3
79.05486	0.9
81.03413	0.6
83.08625	0.3
85.02908	4.8
91.03981	0.4
93.06988	0.4
95.04990	0.8
95.40059	0.3
97.02907	1.6
98.97569	1.4
99.04449	0.4
100.27850	0.4
105.03402	1.4
105.07009	0.4
106.04165	1.2
107.04957	0.8
109.02885	0.6
109.06533	0.4
116.07095	1.5
123.04429	4.6
124.05218	1.4
127.03940	1.2
137.05930	0.5
140.04678	1.2
145.04959	1.0
151.03894	1.0
152.04698	1.3
155.07037	1.4
158.99702	0.4
163.34946	0.3
167.07048	100.0
168.07327	0.9
170.05721	0.5
180.08664	1.2
184.09682	0.8
185.08081	0.8
203.05241	0.4
203.07185	0.3
219.01808	0.5
241.58037	0.3
355.45010	0.4
364.09842	0.6
365.11441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01865	1.6
55.05503	2.9
56.05027	2.3
56.96556	1.5
57.03423	2.5
57.07086	1.3
59.04979	1.2
60.04530	72.1
61.02925	1.8
63.40236	0.9
65.03931	1.9
67.05513	9.1
69.03429	7.8
69.07065	3.7
70.06591	2.3
71.04420	1.0
71.05025	5.8
72.04511	3.4
73.02922	1.9
79.05086	0.9
79.05505	16.8
81.03412	3.4
81.07059	10.9
83.04974	3.0
83.08602	1.5
84.04498	1.3
85.02911	13.4
85.06531	3.4
91.03951	1.4
91.05486	17.5
93.06484	1.8
93.07053	29.8
95.04965	5.4
95.08627	6.9
97.02941	5.1
97.06539	1.9
98.97588	2.2
99.04437	2.0
99.08082	1.8
105.07046	13.1
107.04949	6.0
107.08600	29.3
109.02892	1.7
109.06517	4.3
109.10135	2.1
111.04448	2.1
111.08096	1.3
112.07639	1.6
116.06231	1.0
116.07075	1.3
117.07009	3.2
119.08562	4.2
121.02852	1.6
121.06517	9.2
121.09340	1.5
121.10155	23.7
123.08082	1.4
124.12056	0.9
125.05981	2.7
125.09612	2.2
127.03922	4.8
129.07010	1.7
131.08585	13.2
133.10124	2.7
135.08102	1.7
135.11655	2.2
137.09647	2.5
139.07526	2.1
139.11142	3.1
144.04449	6.1
145.04930	3.6
145.10146	2.3
147.04416	2.5
147.11661	1.7
149.09631	100.0
150.10001	1.3
151.07602	1.0
158.65709	1.1
159.11702	1.6
162.04146	2.1
162.05511	43.0
167.10689	47.9
169.04965	3.2
171.11703	1.0
172.29071	0.9
185.11743	64.0
190.05005	42.9
190.06776	1.2
219.01616	1.3
253.03894	2.7
255.20709	1.0
269.60522	1.0
271.04926	2.3
274.21771	1.5
292.22720	2.0
310.23749	4.5
328.24860	14.1
346.25912	74.0
364.10254	16.0
364.26941	2.7
365.10925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63015	0.3
56.96556	0.9
57.03441	0.3
58.96710	0.3
61.64491	0.3
66.37421	0.3
66.45579	0.3
69.03403	1.0
71.04965	0.4
71.38676	0.5
76.99088	0.3
79.05482	0.4
81.03426	0.4
81.09969	0.3
82.22853	0.3
85.02893	2.1
85.19459	0.3
95.60116	0.3
97.02900	1.0
97.64496	0.3
98.97595	8.7
107.04981	0.4
110.97553	0.5
116.98585	2.4
128.98643	0.4
135.04463	0.4
158.99678	2.6
163.03912	1.3
167.06946	0.4
177.00722	2.0
183.03326	1.1
190.04901	0.4
201.00716	0.4
201.04320	1.2
212.06166	0.6
219.01860	1.3
237.02773	1.3
243.05417	1.5
247.07903	3.1
251.51543	0.4
265.23987	0.4
279.03888	0.5
281.05301	0.5
303.07895	0.3
345.11252	0.4
347.35385	0.3
363.12622	100.0
364.13043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1628
Annotation	1-O-beta-D-Glucopyranosyl-4-epiamplexine
Peak:m/z	Relative Intensity
55.01860	0.9
55.05513	0.8
56.96570	1.0
57.03451	0.8
67.05496	1.3
67.85128	0.4
69.03438	2.0
70.06590	0.6
71.04990	1.7
71.53673	0.7
76.02229	0.7
79.05467	0.7
81.03416	1.0
81.07053	1.3
83.04974	1.9
85.02917	3.9
85.06553	1.4
86.09730	0.5
87.04462	0.6
89.06017	0.9
91.05488	1.0
93.07032	0.9
94.07933	0.4
95.04967	1.2
95.08622	0.7
97.02905	2.4
97.06522	0.6
98.97559	1.5
99.04446	1.3
101.06034	0.9
103.16592	0.4
105.03394	0.7
105.07034	0.9
107.04980	0.6
107.08617	1.3
109.02881	1.3
109.06505	0.9
109.10155	0.5
111.08015	0.6
113.06008	0.6
119.08571	1.1
121.02942	0.6
121.06506	0.7
121.10155	0.4
123.04433	1.6
123.08051	1.5
124.04745	0.5
125.06023	0.8
125.09659	2.5
127.03905	1.3
137.06009	1.0
137.09686	0.6
139.03894	0.5
145.04932	0.8
147.04396	0.8
158.99690	0.6
165.09167	0.8
167.07068	5.6
167.10739	0.7
179.04852	0.7
183.06593	0.6
183.10185	1.2
183.13812	1.0
196.06567	0.5
201.11082	9.2
201.14896	0.4
237.02893	0.8
317.11682	0.6
318.11124	0.6
345.10696	0.6
363.16245	100.0
364.16602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21086	1.0
54.47588	1.3
55.01876	2.6
55.37716	1.3
57.03435	3.5
61.02925	1.8
65.95953	1.3
67.05493	1.9
69.03433	4.8
70.07906	1.2
70.65900	3.9
71.04995	9.3
71.92671	1.1
74.37347	1.2
79.05486	5.2
81.03452	1.5
81.07067	7.0
83.04983	1.5
85.02910	8.1
85.06561	1.5
91.05461	2.3
92.46435	1.5
93.07045	20.0
95.04972	1.3
95.08617	1.6
95.44267	1.1
97.02890	2.4
97.06508	2.6
105.07037	4.8
106.39702	1.3
107.08607	5.4
109.06517	5.6
109.10150	1.6
117.07002	1.6
119.08585	7.3
121.10155	34.4
123.08050	7.4
127.03886	1.4
127.07603	1.6
135.11696	5.1
137.09554	1.5
139.07518	2.7
139.11162	7.7
145.10136	18.9
147.60098	1.3
152.62003	1.5
163.11189	59.9
181.12239	100.0
199.13307	92.4
218.03581	1.2
237.95493	1.2
361.14807	9.4
368.76892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
53.39860	1.3
55.01871	2.3
55.05517	2.2
57.03422	4.8
60.04523	4.6
61.02935	6.5
67.05493	2.8
69.03431	12.7
69.07063	1.4
71.04967	2.0
71.56091	1.4
73.02906	3.4
79.05495	2.7
81.03423	8.2
83.04986	1.5
85.02907	62.9
86.09695	3.6
87.04470	2.7
91.03944	2.7
91.05460	2.4
93.07071	2.8
95.08617	2.6
97.02894	19.1
98.20834	1.7
98.97594	5.5
99.04458	3.6
105.03383	2.0
105.07028	2.7
107.04948	6.1
107.08578	2.2
107.51390	1.6
109.02872	5.3
109.10194	3.3
118.33095	1.3
119.08566	3.1
121.10241	1.5
123.04433	100.0
123.08041	1.7
127.03931	14.9
131.04922	3.4
137.05962	7.7
137.09581	2.8
145.04959	24.0
147.04440	2.7
147.08017	4.2
158.99644	3.0
163.03935	3.0
163.06096	2.4
165.05482	79.2
165.09119	73.8
166.05745	2.2
167.07016	3.1
180.08673	9.5
181.57504	1.4
183.06544	22.1
183.10184	5.1
187.14415	1.6
188.06863	1.6
189.09172	2.0
200.09131	2.0
200.10861	1.5
228.07486	2.4
230.10100	1.6
237.02702	2.4
281.08261	1.8
282.54666	1.3
316.11993	2.3
320.19293	1.3
322.98236	1.4
344.24286	1.5
362.14822	14.7
362.18677	22.0
362.23209	1.9
362.25308	3.7
363.16254	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	362.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
54.70758	0.8
55.01857	1.8
55.05515	5.1
57.03425	2.1
57.07074	3.1
61.02927	2.5
65.03962	1.1
65.99013	1.1
67.05505	9.6
67.49590	0.9
68.05851	2.2
69.03425	4.3
69.07068	5.1
69.39739	8.5
70.07426	1.3
71.04991	6.0
72.30769	1.0
79.05497	31.0
80.05803	1.3
81.03431	2.4
81.07059	32.6
82.07381	3.4
83.04984	2.0
83.08606	4.0
85.02908	13.4
85.06548	6.4
91.05476	12.1
93.07042	9.8
94.07391	1.5
94.70371	0.9
95.04978	3.2
95.08609	37.9
96.08945	3.2
97.02899	2.3
97.06541	1.8
105.07030	17.9
107.08599	100.0
108.08949	3.2
109.06532	5.1
109.10139	7.2
110.10503	2.7
111.08064	1.8
119.06052	1.2
119.08582	13.1
121.10151	9.0
122.10400	1.2
123.08077	2.6
123.11716	14.9
124.12073	5.8
125.09634	29.7
127.03901	1.5
135.11694	3.3
136.12082	1.3
137.09642	2.3
137.13246	10.6
138.13657	1.1
145.04944	2.4
145.10114	2.1
147.11688	34.1
148.12088	1.3
149.13266	1.1
150.13629	3.2
153.12773	2.2
155.55046	1.0
165.12752	19.3
183.13815	26.6
189.14931	1.2
232.11900	1.0
277.97720	1.0
308.26611	1.7
326.27863	1.9
343.72113	1.3
361.73090	9.7
362.23260	3.4
365.49252	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21566	0.4
52.93715	0.4
52.98908	0.4
54.91920	0.4
55.05503	2.5
56.96563	0.6
57.07079	5.1
58.06596	1.7
60.91509	0.5
67.05173	0.7
67.05510	8.8
68.05026	0.6
69.07065	1.2
69.90977	2.2
70.06595	16.0
71.04997	13.3
71.08637	3.1
72.08150	1.4
79.05495	1.4
81.04674	0.5
81.07061	6.9
83.08617	2.0
84.08134	1.5
85.10179	0.7
86.09708	2.0
88.07633	7.5
89.06039	0.5
91.05520	0.9
93.07045	1.7
95.08604	0.9
97.10191	3.1
98.62281	0.5
99.08102	1.2
101.08735	0.4
102.09179	4.7
105.07005	0.4
107.08603	0.9
108.33069	0.5
109.10159	5.8
114.09181	0.9
119.08605	1.0
121.10190	0.5
123.11736	2.4
125.09634	1.9
132.10211	6.8
146.11760	7.1
151.11240	0.7
155.10666	3.0
155.14307	11.9
161.13335	1.0
173.11743	10.0
179.14365	0.7
181.10454	0.5
189.11273	3.3
190.14258	0.5
212.23814	2.2
220.99295	0.4
238.25288	0.9
249.65492	0.5
253.84131	0.5
256.26364	18.9
259.20633	0.5
277.21634	3.5
300.28983	30.3
344.31705	1.1
362.32654	100.0
363.33087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21566	0.4
52.93715	0.4
52.98908	0.4
54.91920	0.4
55.05503	2.5
56.96563	0.6
57.07079	5.1
58.06596	1.7
60.91509	0.5
67.05173	0.7
67.05510	8.8
68.05026	0.6
69.07065	1.2
69.90977	2.2
70.06595	16.0
71.04997	13.3
71.08637	3.1
72.08150	1.4
79.05495	1.4
81.04674	0.5
81.07061	6.9
83.08617	2.0
84.08134	1.5
85.10179	0.7
86.09708	2.0
88.07633	7.5
89.06039	0.5
91.05520	0.9
93.07045	1.7
95.08604	0.9
97.10191	3.1
98.62281	0.5
99.08102	1.2
101.08735	0.4
102.09179	4.7
105.07005	0.4
107.08603	0.9
108.33069	0.5
109.10159	5.8
114.09181	0.9
119.08605	1.0
121.10190	0.5
123.11736	2.4
125.09634	1.9
132.10211	6.8
146.11760	7.1
151.11240	0.7
155.10666	3.0
155.14307	11.9
161.13335	1.0
173.11743	10.0
179.14365	0.7
181.10454	0.5
189.11273	3.3
190.14258	0.5
212.23814	2.2
220.99295	0.4
238.25288	0.9
249.65492	0.5
253.84131	0.5
256.26364	18.9
259.20633	0.5
277.21634	3.5
300.28983	30.3
344.31705	1.1
362.32654	100.0
363.33087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
55.05508	3.5
56.96532	1.4
57.03423	0.4
57.07079	7.9
58.06572	1.7
59.04962	0.4
67.05507	6.8
68.77033	0.4
69.03405	0.5
69.07027	1.7
69.94403	0.4
69.99850	0.4
70.06594	19.0
71.04996	9.6
71.08629	4.6
71.56685	0.4
72.08120	0.7
74.06062	0.8
75.91344	0.4
79.05493	2.0
81.03374	0.5
81.07057	5.7
83.08582	1.4
84.08105	0.9
85.06520	0.6
85.10170	0.6
86.06012	0.5
88.07635	23.9
89.06000	0.7
91.05453	1.4
93.07022	1.5
95.04968	0.4
95.08558	1.4
97.02822	0.4
97.10181	2.5
98.97600	0.8
99.08057	1.6
102.09184	15.5
105.03359	0.5
105.07007	1.2
107.08552	1.7
109.10153	4.4
110.73347	0.4
111.08061	0.5
114.09152	0.9
119.08573	0.8
121.10088	0.7
121.72987	0.4
123.11668	1.5
125.09637	2.8
129.50073	0.4
132.10220	1.9
133.10126	0.8
135.11655	0.8
135.58516	0.5
137.09558	0.4
151.11237	0.7
155.10631	1.8
155.14311	9.1
161.13248	0.5
163.11176	0.6
168.95111	0.4
172.94797	0.5
173.11742	9.1
176.12877	0.8
179.14323	0.6
189.11162	2.3
190.14427	0.5
194.13940	0.7
212.23804	0.8
227.16222	0.5
256.26355	56.6
257.26669	0.7
274.27371	0.4
277.21777	2.8
286.27151	0.4
295.22504	0.4
318.30109	0.5
344.31650	4.6
362.32651	100.0
363.21472	0.6
363.33032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.6
55.01898	4.8
55.05315	4.8
55.05518	48.1
58.24215	3.9
61.94863	4.3
62.12772	4.7
63.78218	4.2
67.05174	7.6
67.05507	98.8
69.07077	39.8
70.82865	9.7
70.83199	9.1
71.04994	84.6
73.06548	12.1
79.05493	94.1
81.07053	45.2
83.08636	25.8
87.08095	7.2
91.05508	22.7
93.07044	99.8
95.04968	6.9
95.08614	32.2
97.06544	11.2
97.10173	33.9
105.07028	29.4
107.08601	71.7
109.10153	73.4
111.08053	6.5
117.07040	6.3
119.08576	18.9
121.10143	92.0
121.97718	4.6
123.11707	7.6
125.09644	30.2
131.08575	7.8
133.10124	14.2
137.09583	6.2
145.10100	10.1
147.11638	6.7
149.09602	11.0
153.12740	66.9
155.10677	42.1
171.10164	8.3
173.11768	100.0
189.11243	35.8
239.18007	5.8
245.99934	5.0
257.19022	9.0
275.20096	65.8
370.17056	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1494
Annotation	Semperoside
Peak:m/z	Relative Intensity
53.03936	1.5
55.01875	1.0
67.05497	0.9
69.03423	1.3
69.22061	5.0
79.05497	7.7
81.03394	0.8
81.07053	2.0
85.02906	4.4
85.90913	0.6
91.05479	5.3
93.07052	13.6
95.04980	1.8
97.02904	1.2
97.06545	1.0
98.97562	0.8
103.05470	0.9
105.04511	0.9
107.04949	1.1
111.08062	1.1
121.06512	18.0
123.08086	7.1
131.04858	0.6
139.07539	14.9
149.06000	9.8
152.36464	0.5
163.03871	1.1
167.07050	100.0
168.07399	0.9
181.08438	0.5
185.08104	1.7
199.09660	32.3
361.14615	1.8
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
52.87844	1.4
57.03420	2.6
61.02916	1.5
67.05489	2.8
68.26698	1.2
69.03428	4.1
69.67551	4.4
69.67945	2.5
71.05002	10.8
79.05489	6.5
81.07073	8.7
85.02927	6.8
85.06514	1.4
91.05476	3.7
93.07046	23.0
95.04940	2.0
95.08582	2.0
97.02868	2.1
97.06550	1.9
98.97527	1.8
105.07018	4.4
107.08585	5.6
109.06544	6.1
119.08590	9.2
121.06493	3.1
121.10152	30.9
123.08124	8.7
127.03860	2.0
127.07502	1.8
130.69760	1.4
133.10115	1.5
135.08066	1.5
135.11732	6.4
137.05984	2.1
137.09599	1.5
139.07520	3.7
145.10133	15.9
150.16837	1.4
163.11195	51.6
177.51884	1.3
181.12245	100.0
199.13312	75.9
230.37114	1.4
281.15564	1.2
361.14807	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.05511	33.7
55.52124	3.5
59.04990	5.5
67.05182	5.8
67.05508	69.3
69.03423	4.8
69.07073	43.3
69.24629	4.7
71.04993	94.4
71.24380	8.7
73.06567	6.1
79.05496	81.5
81.07054	45.6
83.08613	23.5
87.08087	6.7
91.05492	22.3
93.07045	90.0
95.04956	4.0
95.08610	40.9
97.06529	11.0
97.10177	27.6
105.07037	21.2
107.08600	59.1
108.39555	3.9
109.06544	3.4
109.10159	53.2
111.08080	6.4
117.07029	7.8
119.08596	15.4
121.10150	75.7
123.08053	5.4
123.11716	8.0
125.09675	22.2
131.08600	6.8
133.10118	11.3
133.47043	3.9
135.08052	6.4
135.11673	8.7
145.10085	7.6
147.11684	10.3
149.09639	11.4
149.13260	4.8
153.12727	46.2
155.10667	36.5
159.11682	7.8
161.13234	6.1
163.11150	4.7
171.10156	7.1
173.11746	100.0
173.13100	3.9
173.89526	3.7
179.14339	4.8
189.11278	24.1
190.77592	3.8
195.13844	7.8
209.15495	4.9
227.16441	27.5
239.18152	4.9
257.19122	11.2
275.20050	68.8
307.22635	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	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
54.59379	0.5
55.01862	2.6
57.03425	1.7
61.02929	3.3
63.59999	0.6
67.05542	0.6
69.03429	7.0
69.74358	3.2
71.04971	0.9
71.32380	0.5
73.02917	1.0
78.62400	0.6
81.03433	2.8
81.07045	0.8
85.02910	21.7
85.63278	0.6
87.04431	0.6
89.38274	0.6
91.03963	2.1
91.05477	2.3
93.07049	3.1
95.08630	0.7
96.61584	0.6
97.02893	6.1
99.04448	1.4
103.05489	5.1
105.07018	0.7
107.04965	3.1
109.02888	1.8
109.10171	0.6
116.10668	0.6
121.05652	1.2
121.06511	16.6
125.02344	1.7
127.03963	4.7
131.04947	1.6
135.08075	2.5
140.04689	23.0
145.04962	7.0
149.05992	16.9
149.50435	0.7
153.05487	10.5
153.09091	0.6
163.07574	1.4
166.06200	0.7
167.03809	0.6
173.60553	0.6
180.08702	2.7
181.08606	100.0
182.08954	0.9
338.68686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05500	0.8
57.03413	1.1
60.79969	0.7
61.02941	1.3
69.03428	3.9
69.07086	0.7
69.59811	3.0
69.60221	1.2
78.07118	0.7
79.05490	1.1
81.03423	1.5
81.07063	1.3
82.77757	0.6
85.02436	1.2
85.02910	15.1
91.03923	0.8
91.05476	1.7
93.07016	1.1
95.08601	0.7
97.02901	4.6
98.21494	1.1
98.97583	1.2
105.07018	5.8
107.08609	1.2
109.02899	1.7
119.92043	0.7
121.06487	2.5
122.07310	3.5
123.08089	5.0
127.03912	3.5
131.08542	1.4
131.76144	0.8
135.08061	62.9
145.04973	3.4
148.08803	1.2
149.09662	1.0
161.09668	0.8
163.11188	100.0
167.07028	1.4
172.08846	1.3
172.65413	0.7
175.11188	1.5
177.12756	0.9
181.12244	39.0
187.11237	2.7
193.12068	0.9
199.11148	0.8
203.10718	1.0
205.12221	1.4
225.12830	0.8
277.11340	0.7
289.14359	2.8
307.15619	1.5
336.82697	0.8
355.65643	0.8
360.19519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92436	1.9
53.03936	2.9
55.01866	2.8
55.05490	2.1
60.04546	9.9
61.02904	2.1
67.05486	5.3
69.03408	2.0
69.07049	2.5
69.87700	10.5
71.05002	3.4
73.20828	2.3
79.05486	9.3
81.07053	12.9
81.93945	1.9
83.05009	2.2
85.02883	6.5
86.09697	6.2
91.05477	7.2
93.07050	24.2
95.04965	3.5
95.08590	3.6
97.02925	2.2
97.06532	2.3
98.97589	5.5
105.07037	4.3
107.04946	2.7
107.08604	10.8
109.06511	6.9
109.10148	3.2
119.08575	6.9
121.10134	18.5
127.07546	4.2
135.08058	6.1
135.11699	11.1
145.09070	2.5
145.10132	25.7
151.11166	9.4
158.99583	2.2
163.09863	3.7
163.11197	58.9
177.00696	2.1
181.12239	100.0
182.12508	2.3
198.14940	5.3
201.12346	3.9
219.01755	4.2
223.99506	1.9
237.02768	3.8
255.14139	5.3
287.07074	1.9
317.08853	3.1
324.21701	2.3
335.09918	2.5
342.22757	4.5
360.24011	8.9
361.16653	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	360.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
53.95647	2.8
55.01861	11.1
55.05268	4.7
55.05513	65.1
56.96578	3.7
57.03427	5.6
57.07068	3.2
59.04999	30.8
65.03940	3.7
67.05508	97.0
69.03422	12.2
69.07075	100.0
70.16766	12.4
71.04999	90.6
73.06540	6.2
73.46233	2.5
79.05070	4.9
79.05497	82.1
81.03402	12.6
81.07065	69.6
82.53528	3.2
83.04970	12.4
83.08624	33.4
85.06538	11.3
87.08110	4.8
91.05477	45.3
93.07047	77.5
95.04955	14.5
95.08614	47.9
97.06539	49.7
97.10184	50.7
98.97636	4.7
99.08107	3.4
105.07041	35.2
107.04951	11.1
107.08597	59.7
109.06532	15.3
109.10168	57.1
111.08083	10.3
113.05999	3.2
115.07550	9.6
117.07017	10.1
119.08575	22.9
121.06472	8.3
121.09308	5.3
121.10145	65.9
123.04460	2.8
123.08067	5.5
123.11711	8.2
125.09628	42.8
127.59307	3.1
129.07001	5.7
131.08577	15.0
133.10126	18.8
135.08075	10.7
135.11685	5.5
137.09541	6.5
143.08549	5.3
145.10139	12.1
147.11720	11.7
149.09621	11.4
149.13254	5.2
153.09148	3.5
153.12756	54.5
155.10669	25.0
157.10164	4.4
159.11681	9.9
161.09425	3.0
161.13266	5.9
163.11169	7.0
171.10197	3.2
173.11752	82.4
173.13153	3.8
175.11270	3.3
177.12747	5.1
189.11224	38.1
195.13858	4.1
222.02066	2.7
223.13300	8.4
227.16415	10.2
237.14761	3.4
239.17865	4.0
257.19000	6.7
273.18442	6.0
275.20096	49.8
284.00507	3.0
293.21149	4.9
307.22708	5.0
325.20175	3.3
362.17133	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	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
56.96581	0.4
58.55498	0.4
60.04534	1.7
61.82999	0.4
65.03959	0.7
67.05505	0.4
69.03446	1.5
69.07054	0.4
70.06609	0.5
71.54375	0.4
76.19575	0.4
79.05509	0.7
79.67061	0.3
81.03440	0.5
81.07075	1.1
83.04991	0.8
85.02906	4.6
86.09728	0.7
91.05489	2.8
93.07046	1.0
97.02914	1.7
98.06089	1.0
98.97594	0.8
103.05503	0.9
104.05808	0.7
105.07045	0.5
107.08630	0.7
109.02876	0.5
109.03625	0.4
116.07113	0.9
116.79456	0.4
117.07032	0.4
121.02879	2.1
127.03939	1.0
131.04955	2.0
132.05318	2.1
133.02844	2.2
135.04471	2.2
135.11665	0.5
137.05966	1.3
138.06287	0.4
145.04968	1.2
145.10130	0.7
149.02353	100.0
150.02666	0.6
158.99698	0.5
163.03917	68.0
163.07600	1.8
164.04233	0.5
167.03477	0.5
176.07913	0.4
180.08658	1.0
181.04970	33.7
182.05353	0.5
185.72371	0.4
198.12114	0.5
268.10083	0.4
342.14078	0.8
342.22821	0.7
360.16061	0.7
360.23785	0.7
361.08844	1.0
382.30756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93111	1.5
55.01860	4.4
56.04977	1.2
56.96555	10.6
57.03445	7.5
61.02919	5.0
69.03439	22.4
69.36356	11.4
71.04994	3.4
73.02914	5.1
81.03408	5.8
84.08151	2.8
84.96030	3.0
85.02913	67.4
86.03242	1.4
86.09719	2.2
87.04443	2.6
91.03959	1.8
97.02901	27.5
98.97606	23.6
99.04449	5.6
101.02389	3.2
105.03392	1.5
109.02885	6.2
110.97564	5.2
112.07605	3.9
112.99139	2.4
115.03934	2.5
116.98649	6.8
124.07629	1.6
127.03931	40.6
128.98584	3.8
130.08565	2.7
131.00107	2.0
134.99680	2.6
137.05978	3.1
138.02393	2.2
145.04971	35.3
151.31941	1.5
156.03345	41.8
158.99638	4.3
161.01184	1.5
161.04646	1.5
163.03905	3.6
163.06023	7.5
168.03326	27.2
170.99594	2.0
174.04417	30.0
177.00754	3.3
180.06569	4.4
180.08714	2.5
186.04401	100.0
187.02762	1.6
189.00667	1.4
189.06046	2.5
190.05070	2.4
192.05457	3.7
198.07593	4.0
198.09506	1.8
201.00742	2.7
204.05455	62.2
209.05919	3.9
219.01794	9.5
220.02101	2.4
227.06857	3.2
227.56989	2.7
228.05504	3.2
231.02898	24.4
237.02811	9.9
238.03181	3.9
249.03969	52.6
267.05341	2.8
268.02606	1.3
270.07489	1.5
272.05432	2.9
279.10321	12.9
297.11255	32.3
331.07224	1.5
332.07492	3.2
344.11594	1.7
360.06799	3.2
360.10980	11.3
360.16544	4.6
368.08093	1.8
378.07828	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.05509	0.9
57.03421	0.7
61.02921	0.9
64.28814	0.5
67.05491	1.2
69.03415	2.1
69.57175	1.1
69.57577	1.8
69.67258	0.4
70.38455	0.4
73.02906	1.1
73.18565	0.4
76.32634	0.5
79.05481	2.1
81.03406	1.1
81.07050	1.8
83.04973	0.6
85.02913	9.3
85.06518	0.5
87.04446	0.7
91.05463	2.8
93.06555	0.6
93.07054	5.4
95.04945	0.6
95.08595	1.7
97.02911	2.3
97.06559	0.5
98.97579	0.6
100.32676	0.5
105.07027	7.0
106.86757	0.4
107.08600	28.6
109.02882	0.6
109.06506	0.9
109.10161	1.5
111.02616	0.6
119.08586	5.0
121.10148	5.3
123.08060	0.9
123.11687	0.8
127.03913	1.3
131.08577	0.9
133.10135	17.0
135.04428	1.7
135.11732	0.7
137.05983	2.8
137.09615	1.0
137.59177	0.6
139.07542	1.0
141.23285	0.5
143.08559	1.3
145.04974	1.2
146.31157	0.5
147.07976	0.6
149.09592	3.0
151.07585	1.1
151.11194	6.2
152.87466	0.4
161.09642	5.2
163.11165	1.3
163.60065	0.5
167.10681	11.1
179.10674	15.0
197.11740	100.0
198.12083	1.1
202.33276	0.5
203.14296	0.5
241.19432	0.5
252.58168	0.5
344.17740	0.5
359.12726	0.8
359.16721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3154
Annotation	AKD 2A
Peak:m/z	Relative Intensity
55.05517	12.9
57.03445	9.7
57.07078	100.0
66.19061	1.2
67.05508	30.6
67.46752	1.1
69.07071	21.0
71.08635	69.4
75.04465	5.2
79.05499	2.6
81.06586	2.5
81.07059	44.8
83.05012	1.4
83.08627	21.8
84.75353	1.2
85.06526	1.4
85.10187	42.6
88.07601	1.6
89.06016	2.1
93.07016	2.5
95.08608	59.5
97.10164	26.9
99.11734	4.2
103.78275	1.1
105.03705	5.0
109.09473	2.0
109.10165	29.4
111.11720	12.4
113.13254	1.9
118.10680	1.3
121.10116	2.1
122.06346	2.0
123.11697	13.5
125.13274	2.3
127.14779	1.5
135.11659	1.3
137.05997	2.4
137.13228	8.3
149.13333	1.6
151.14816	3.0
165.16330	1.5
179.18073	1.6
249.25732	4.3
267.26837	21.5
285.27798	7.1
296.29474	8.4
341.30511	91.0
342.30600	2.3
359.37173	11.9
384.78339	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03207	0.8
53.03947	1.5
55.01863	1.1
55.05495	0.8
57.03427	1.8
61.02915	3.1
64.99758	0.8
67.05475	2.3
69.03430	6.4
69.07070	1.0
71.04981	1.4
71.29467	1.6
73.02877	1.2
79.05483	2.8
80.34529	0.8
81.03403	2.5
81.07052	2.6
83.04982	1.8
85.02906	21.3
86.09708	2.2
87.95809	0.8
90.76037	0.7
91.03969	1.1
91.05469	4.5
93.07042	6.4
95.08619	1.9
97.02905	6.5
97.06547	1.2
98.97608	1.1
99.04453	1.8
99.14110	0.8
103.05464	4.6
105.07027	9.2
107.08598	31.5
109.02875	2.5
109.06505	1.3
109.10147	2.4
117.07011	0.9
119.08569	4.9
121.06482	1.2
121.10153	5.4
123.11735	1.6
127.03904	3.8
131.04926	6.2
133.10141	19.0
135.11729	0.9
136.15872	0.9
137.05974	6.8
137.09636	1.0
139.07532	1.4
142.62373	0.9
145.04941	4.1
147.04411	1.2
149.02367	7.3
149.09596	2.9
151.07516	1.3
151.11206	7.5
161.06053	1.0
161.09624	5.8
163.03928	3.9
163.07555	2.2
167.10695	14.4
179.10684	17.7
181.04964	2.6
187.07487	0.8
194.07172	0.8
197.11745	100.0
200.13829	0.9
279.10120	1.7
291.10208	1.1
297.11224	1.2
311.12772	1.5
341.13815	2.4
359.16516	1.6
360.61063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
54.71901	1.8
55.01878	5.8
55.05507	14.6
57.03438	2.4
57.07058	2.9
61.02909	2.7
63.55596	1.9
65.03931	3.0
67.05238	2.1
67.05512	23.2
69.03426	14.0
69.07085	9.3
69.60066	10.8
71.04993	2.0
79.05493	19.1
81.03430	3.1
81.07066	21.2
83.04983	79.1
83.08625	3.7
83.32690	1.8
85.02901	8.5
85.06544	2.9
86.09731	2.0
91.05489	27.9
93.07048	35.6
95.04984	3.1
95.08620	13.4
97.02884	4.5
97.06575	2.1
103.05453	2.3
105.07034	50.5
107.04970	5.8
107.08598	46.4
109.06526	8.7
109.10155	15.6
111.08083	4.7
117.07040	5.9
119.04934	2.0
119.08582	58.9
119.33498	2.0
120.99612	2.8
121.06505	8.4
121.10163	20.3
122.07255	2.8
123.08077	7.5
125.09605	3.7
129.06975	2.8
131.08563	7.0
133.06516	4.1
133.10135	40.0
135.08073	3.6
135.11676	4.0
137.05972	7.0
137.09625	27.3
139.11182	6.8
143.08554	5.3
145.10110	5.6
147.08066	15.3
147.11690	4.4
149.09625	15.4
151.07549	2.8
151.11198	8.8
157.10133	3.9
159.11717	5.3
161.09642	14.0
161.13281	19.9
163.11177	2.5
165.09218	3.8
167.10669	11.9
170.10966	2.2
175.14825	7.9
177.12746	3.0
179.10666	14.2
185.13260	5.0
188.11967	4.0
189.12756	3.7
191.14340	4.7
197.11736	100.0
203.14325	36.6
204.14989	3.5
205.15846	5.4
221.04823	5.2
221.15367	31.7
223.06369	28.1
253.12621	20.8
271.13666	4.6
312.96722	2.0
313.14749	3.4
341.14175	26.4
359.15302	43.7
380.01062	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03424	5.1
61.02925	3.9
62.66665	1.5
67.05511	3.7
69.03436	11.3
69.71456	2.4
69.71852	8.0
79.05486	4.0
81.03400	6.2
81.07053	4.8
85.02905	36.7
86.09705	1.7
91.05473	11.0
93.07022	7.4
95.08617	2.7
97.02886	11.7
98.21438	1.9
99.04435	2.8
103.05464	1.6
105.07018	9.4
107.08592	51.5
107.83936	1.6
109.02894	3.8
109.06494	4.5
109.10152	8.5
119.08570	5.8
121.06506	1.5
123.08066	4.2
127.03922	5.7
127.07597	2.3
131.04951	4.0
131.08478	1.9
133.10129	33.9
135.08014	8.6
135.11742	9.4
137.06009	2.4
137.09613	7.5
145.04965	8.6
151.11172	4.9
161.09630	23.9
179.10674	41.1
197.11732	100.0
303.82098	1.3
319.11456	1.4
359.16766	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	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03939	1.4
55.05507	2.2
57.03429	3.2
61.02930	1.6
67.05518	3.2
69.03433	7.0
69.07069	1.3
71.05195	1.7
79.05484	4.1
81.03410	4.7
81.07066	2.9
83.04979	5.0
85.02913	30.5
86.09698	3.4
91.05491	6.8
93.07053	10.7
95.04965	2.9
97.02895	7.4
99.04434	1.6
102.50911	1.3
103.05470	28.9
105.07018	9.6
105.34519	1.1
106.02949	2.7
107.03258	1.6
107.08602	20.7
109.02887	3.9
109.06515	2.4
109.10126	2.4
111.04488	1.2
119.04930	2.3
119.08619	6.1
121.02858	4.8
121.06491	2.5
121.10168	1.7
124.03944	3.0
125.04361	1.6
127.03940	7.0
131.04933	54.6
131.08571	1.7
133.10135	22.8
135.11697	20.0
137.05988	10.8
137.09604	2.6
145.04964	2.7
147.04424	2.8
147.08035	1.6
149.09642	1.7
151.11186	1.9
161.05960	1.6
161.09633	10.4
163.07553	14.7
179.10686	38.1
197.11740	100.0
203.14287	1.3
221.15131	1.4
223.06302	1.2
269.08420	2.2
299.12585	1.4
311.12775	2.0
341.14148	1.7
359.12485	1.7
359.16452	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01863	3.0
55.05513	24.5
57.07076	3.4
65.03920	3.9
67.05519	27.7
69.03448	14.3
69.07069	13.5
69.66751	14.6
71.05010	3.7
75.58398	2.4
79.05504	16.1
81.03384	3.5
81.07069	23.5
81.81165	3.2
83.04987	100.0
83.08626	4.3
83.81644	2.7
85.02899	7.8
85.06538	5.8
86.09715	3.2
91.05482	34.6
93.07051	42.2
95.04964	7.2
95.08611	16.1
97.06554	2.9
98.67104	2.6
98.97569	4.1
99.04456	3.2
103.05489	4.4
105.07032	52.6
107.04945	6.5
107.08599	48.2
109.06509	11.0
109.10174	24.0
111.08105	7.1
117.07027	6.5
119.04926	2.8
119.08587	76.9
120.99495	5.3
121.06499	11.2
121.10143	22.5
123.08092	11.7
125.09617	4.2
129.06998	3.3
131.08569	7.1
133.06450	6.6
133.10130	52.7
135.07997	3.8
135.11649	4.0
137.05989	8.2
137.09639	32.8
139.11165	11.8
141.79636	2.4
142.07736	3.0
143.08536	3.7
145.10100	7.6
147.08060	20.2
147.11703	6.0
149.09633	17.5
151.11206	7.3
157.10133	8.0
159.11699	10.8
161.09665	14.6
161.13260	19.6
167.10686	7.9
173.09692	3.1
174.10376	2.8
175.11197	4.2
175.14870	14.1
177.12808	5.9
179.10634	13.4
185.13290	7.7
188.11960	5.1
191.14272	7.3
197.11734	78.2
203.14346	44.0
205.15912	10.4
221.04820	4.9
221.15373	39.4
223.06349	30.8
240.24704	2.6
253.12613	23.5
313.14722	4.1
341.14120	34.4
359.15314	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	359.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25688	4.1
56.96565	16.0
57.03440	5.5
61.02911	8.9
65.06197	4.3
69.03421	16.4
71.05001	5.5
71.21377	11.6
73.02901	6.9
73.85447	4.6
81.03430	7.3
82.33509	4.9
84.87338	4.7
85.02905	45.3
86.09680	5.4
87.04504	5.2
91.53690	5.0
97.02892	25.2
98.97583	45.3
101.00872	7.2
108.08159	5.1
110.97573	9.9
111.07478	4.1
116.98595	8.7
127.03901	14.3
128.98665	6.6
143.01869	7.6
145.03543	5.4
145.04968	12.8
152.07022	7.6
158.99628	5.6
163.87201	5.2
185.02934	5.8
191.03889	5.1
200.04437	5.5
201.00778	7.9
203.04010	5.6
207.18127	5.2
219.01790	20.1
229.64479	5.1
237.02788	16.2
247.08513	5.8
261.02441	6.1
268.56915	9.5
278.06989	5.6
310.00021	4.9
331.07086	8.5
341.06641	8.3
341.10855	5.3
359.07263	100.0
359.14490	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	359.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01879	0.7
55.05517	3.7
57.07077	5.3
59.04980	1.0
65.03931	3.6
67.05507	35.5
69.03445	0.9
69.07058	2.2
70.90701	1.5
71.04998	1.1
74.90008	0.6
79.05482	6.7
81.07056	61.0
83.04980	4.9
87.00811	1.3
91.05485	7.2
93.07046	11.8
94.04200	0.9
95.04971	30.2
95.08605	10.0
98.87085	0.7
105.07026	12.7
107.04956	1.4
107.08591	13.5
109.06522	66.7
109.10156	42.0
109.10926	1.0
121.10165	2.2
123.08047	1.3
123.11712	54.3
131.04855	0.7
131.08572	1.7
133.10133	43.0
137.05971	0.9
151.11186	100.0
173.87598	0.7
183.08374	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	359.1335
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03942	1.9
54.64469	1.4
55.01868	2.6
69.03432	3.7
69.16410	16.3
71.04990	1.5
72.08150	5.3
73.02924	25.6
81.03436	2.2
81.07075	3.3
83.06086	3.3
85.02908	8.7
86.09711	6.9
91.05463	4.1
91.12305	1.6
93.03426	1.8
97.02891	3.1
101.06004	2.1
103.05459	2.3
105.07011	3.3
107.08556	1.8
108.02095	1.4
110.03683	3.0
111.04416	2.5
113.06019	4.4
125.05994	30.9
127.03954	1.9
131.04919	4.4
132.10205	3.3
137.05991	17.6
138.09160	1.7
147.08061	2.5
149.06010	4.5
151.03917	100.0
151.04977	4.9
151.07549	4.8
157.13315	2.0
160.05252	1.9
161.06027	3.6
163.07550	4.0
167.07018	2.1
175.07567	5.7
179.07054	27.7
179.08553	2.7
182.12926	3.2
183.11276	2.1
191.07010	4.3
196.25316	1.7
197.08095	99.9
205.08441	1.8
208.09656	3.1
219.08116	3.3
235.07600	1.9
265.08575	2.4
279.10098	2.7
297.10840	2.0
299.12772	3.4
311.12552	2.8
319.81329	1.6
359.13123	14.4
359.16757	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	358.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
56.96567	4.7
57.03438	2.5
57.62246	1.2
58.66685	1.1
61.02919	3.9
69.03435	11.7
70.06609	1.3
71.04999	17.0
71.53365	1.1
73.02907	3.4
75.20654	1.1
81.03407	6.8
83.04996	1.2
84.08155	1.6
84.96019	1.0
85.02908	23.9
86.06007	1.0
86.09737	2.0
87.04471	1.5
88.61250	1.0
89.06040	100.0
90.05545	1.1
97.02290	2.1
97.02901	31.3
98.97598	11.3
99.04456	6.4
105.03393	2.2
107.04947	3.7
108.08083	1.4
109.02897	12.1
110.97565	2.5
111.04433	1.8
116.98626	2.6
123.04429	5.2
127.03918	13.3
128.98615	2.7
131.04863	1.2
134.06065	1.4
135.06546	30.9
136.07573	4.2
137.05968	4.3
138.74133	1.2
143.00157	1.7
145.04968	12.5
146.99687	1.3
147.04472	3.0
158.99641	4.2
161.08020	1.1
163.03918	4.1
165.05473	1.6
170.99651	1.5
177.00748	1.9
177.05574	1.4
178.08525	1.4
178.12389	1.1
189.00757	1.8
196.06010	3.2
196.09706	11.4
196.13405	1.3
197.08089	1.6
199.06198	1.4
212.06197	1.2
215.09061	2.9
217.05493	1.7
219.01817	5.7
226.06039	2.8
237.02802	6.0
241.86662	1.1
243.08751	2.9
244.02721	1.1
261.09763	8.7
265.06396	2.0
279.10724	8.0
281.05371	1.2
323.13318	3.8
341.14383	1.4
358.11526	1.4
358.15372	7.6
359.13205	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	30.8
56.96556	41.6
67.05501	57.6
69.07043	28.4
70.04688	100.0
70.05047	34.3
79.05477	37.6
81.03444	30.5
81.07070	76.9
83.04927	23.7
85.02924	24.8
91.04000	29.3
91.05491	35.7
93.07048	38.9
95.08632	33.8
98.21440	27.7
98.97604	45.7
105.07037	42.0
107.08568	48.0
109.10166	28.9
130.93369	27.3
163.46582	22.0
163.74045	28.2
267.09241	26.2
288.92209	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00420	17.2
56.96563	21.8
60.21226	17.0
67.05494	36.9
69.07063	44.1
69.79082	34.4
69.79491	75.0
71.05000	23.1
79.05489	20.3
81.07053	46.2
82.31068	19.4
91.05463	46.7
93.07037	33.9
95.04960	22.9
95.08585	34.1
95.15107	17.8
97.06534	17.6
98.21468	18.9
98.64145	17.9
98.97560	26.3
109.10177	20.9
113.27885	20.0
119.08591	27.5
130.83418	19.6
131.08505	21.7
139.98851	19.6
151.07510	20.9
184.26817	19.3
258.78406	19.7
285.10358	27.2
335.20782	100.0
353.21356	31.8
355.40576	19.1
357.65674	32.8
358.20367	69.0
358.23785	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	357.2637
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03940	3.2
55.01870	4.4
55.05512	51.0
56.96563	4.1
57.03439	5.1
57.07069	5.8
59.05014	2.0
67.05510	17.8
68.47769	1.8
69.03430	9.1
69.07073	36.8
69.34467	15.1
69.64629	1.8
71.04993	4.4
73.06599	2.2
79.05497	13.4
81.03413	4.3
81.06587	2.8
81.07063	55.9
83.04991	3.2
83.08616	11.3
85.02914	6.5
85.06559	14.2
91.05477	18.1
93.07049	27.1
95.04976	6.0
95.08613	48.2
97.02888	2.8
97.06547	6.4
97.10177	100.0
98.97590	3.1
99.08070	7.4
101.06011	5.0
103.05486	2.7
105.07028	16.7
107.04950	7.9
107.08591	22.1
109.02869	2.0
109.06528	5.6
109.10171	25.2
111.08086	4.0
111.11716	4.4
113.09669	2.4
116.98561	2.0
117.03374	5.3
117.06991	3.7
119.08588	11.6
121.06496	5.0
121.10166	21.7
123.04418	4.4
123.08069	5.6
123.11710	24.5
125.09635	19.7
131.04941	2.2
131.08580	4.9
133.10136	9.4
135.08109	3.7
135.11737	9.5
137.05981	23.6
137.09602	5.2
137.13257	5.5
139.11174	17.6
141.09103	2.2
143.04929	3.3
143.10683	38.6
145.02834	14.5
145.10124	3.5
147.04453	3.9
147.11690	8.1
149.05972	3.6
149.09589	2.2
149.13260	8.5
149.85440	1.9
151.03891	5.9
151.07539	5.1
151.14799	2.6
153.12723	3.3
157.12244	9.8
159.11687	7.0
161.05977	3.1
161.13246	7.1
163.03914	1.9
163.07481	2.3
165.01868	2.0
165.05507	2.5
165.12737	5.6
167.07051	4.5
167.14299	2.2
171.10159	6.2
171.11630	2.9
173.13333	3.1
175.07497	2.9
175.14787	3.2
177.05478	24.6
177.09138	2.9
177.12772	5.6
177.16353	2.4
179.14316	3.6
183.13808	3.5
187.14886	3.4
189.11272	8.7
191.03372	2.4
193.12254	3.7
195.13835	4.4
203.07037	5.0
205.06630	2.7
205.08585	7.2
205.15894	3.1
233.15584	1.9
235.07684	2.2
251.16399	3.0
260.29816	2.0
264.07840	2.3
265.08563	2.7
267.09247	3.1
269.08044	1.8
269.12311	4.3
270.12531	2.0
275.23621	2.9
278.12729	4.5
279.10370	2.7
285.10019	3.4
291.23184	5.4
303.23236	9.5
307.09552	5.3
309.24228	6.8
321.24216	36.7
327.12146	4.4
339.12143	4.9
339.25516	8.9
357.13309	22.1
357.17093	3.2
357.24445	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78894	0.3
55.56406	0.4
56.79486	0.3
69.07066	0.7
70.84768	0.9
72.05369	0.3
79.05479	0.8
81.07044	1.3
83.04982	0.3
91.05452	0.5
93.07015	1.1
95.04986	0.4
95.08588	1.0
99.16197	0.3
105.07008	0.8
106.04115	0.5
107.08614	0.8
109.10147	0.6
117.03401	0.4
121.10096	0.5
133.06458	0.6
133.10074	0.5
137.05975	2.0
147.04439	0.6
149.05992	1.1
161.05869	0.4
173.15421	0.3
177.05449	1.3
177.12732	0.7
195.13849	0.7
203.05270	6.7
357.18826	100.0
358.19211	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.2
53.88971	2.1
55.01880	15.5
55.05508	14.9
56.96556	3.3
57.03438	5.7
57.07063	5.8
65.03942	4.4
65.72756	2.2
67.05512	18.9
67.31638	1.7
68.85572	2.2
69.03432	15.7
69.07069	48.1
69.23734	1.9
69.57529	15.8
71.05002	4.8
73.02923	3.6
75.03373	2.1
79.05510	17.2
81.03415	9.6
81.07059	36.3
83.04978	9.5
83.08618	9.5
85.02905	22.9
85.06544	10.7
91.05467	22.5
93.07039	34.4
94.04203	3.6
95.04971	9.6
95.08607	100.0
97.02896	9.5
97.06597	3.0
97.10171	8.0
98.20777	4.6
99.04454	6.1
99.08094	42.0
103.03933	4.1
103.05486	3.4
105.07035	21.4
107.04977	6.5
107.08592	45.9
109.02878	5.1
109.06538	7.5
109.10160	26.8
111.04425	4.8
111.08089	15.8
111.11730	47.9
113.09636	2.8
115.05466	6.5
117.03377	5.1
117.07021	5.0
117.52715	1.9
119.04929	2.3
119.08586	15.3
120.84980	2.0
121.06503	5.5
121.10152	65.9
122.03671	8.1
123.04414	3.9
123.08073	5.2
123.11708	37.9
125.05978	4.5
125.09619	3.4
127.03924	7.4
129.06995	6.5
131.04913	7.0
131.08592	10.2
133.04944	2.3
133.06456	3.1
133.10162	16.2
135.08032	6.4
135.11688	17.4
137.05978	52.4
137.09642	3.8
137.13268	4.8
139.11191	6.0
143.08624	3.3
144.05675	2.0
145.02843	7.3
145.04941	3.6
145.06493	2.9
145.10147	7.7
146.03632	2.2
147.04396	4.8
147.08080	3.3
147.11717	9.0
149.06010	3.8
149.09668	3.0
149.13312	13.1
151.07526	2.5
151.11287	3.6
153.05434	3.1
155.08551	2.8
157.10127	6.2
159.11723	10.0
161.05971	16.5
161.09645	2.4
161.13307	9.9
162.06763	2.4
163.07446	3.3
163.11229	3.9
163.14810	13.0
165.05519	21.4
165.06903	3.4
165.09145	4.5
171.11694	3.1
172.05310	2.5
173.13264	6.1
175.07573	4.2
175.14777	13.2
177.05460	18.3
177.16406	74.3
179.08517	4.0
179.14261	2.2
181.08566	3.0
183.10207	4.1
185.13223	4.3
187.07542	6.5
187.14822	3.4
189.06981	4.7
189.16367	4.6
190.07779	5.6
191.08545	9.6
194.15231	2.7
195.15883	3.3
195.17349	10.1
199.14784	3.1
199.73877	2.8
201.16435	7.9
203.07097	5.1
205.06683	3.6
205.08633	5.8
205.15897	3.8
207.08189	5.1
207.17427	3.4
208.08798	4.6
213.16431	3.8
215.07065	6.2
217.15855	2.6
218.07281	15.5
219.08047	16.7
219.17522	5.8
227.14417	2.9
229.06432	6.1
234.06729	7.2
235.07529	12.8
236.08328	7.8
237.09106	3.2
237.18495	2.7
243.17538	3.0
246.06770	13.2
247.07541	19.1
248.08328	3.3
249.09048	6.9
250.06377	4.2
251.06985	4.0
257.06021	5.1
259.17068	2.4
261.09167	19.4
261.18546	3.4
262.06265	3.2
263.07043	9.5
264.07843	9.4
265.08615	4.4
267.09778	3.1
269.08011	2.8
274.06247	9.4
275.07028	7.9
276.07837	2.5
277.08636	14.5
278.09439	6.2
279.10162	13.0
279.19556	3.7
284.10513	2.9
285.10120	5.5
285.18375	6.9
289.08649	27.4
290.09256	3.8
294.08801	5.1
295.09802	3.5
296.10364	3.7
303.19559	10.3
306.08966	6.2
307.09668	60.4
308.10260	3.9
309.11047	11.5
311.13007	3.0
321.11282	42.0
321.20551	17.2
327.12283	14.4
339.12302	28.1
339.21686	12.9
357.13260	12.7
357.22751	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05492	0.4
59.05015	0.4
67.05499	0.8
68.84290	0.4
69.07076	0.4
69.12339	0.4
71.04998	0.4
78.11664	0.3
78.83115	0.3
79.05492	1.1
79.55264	0.3
81.03397	0.5
81.07063	1.8
83.08620	0.4
85.02892	0.7
89.96932	0.3
91.05483	1.6
93.07052	1.7
95.04975	0.4
95.08623	0.7
95.28585	0.3
97.06544	0.6
98.97598	0.5
103.05438	0.5
105.07044	1.1
106.04192	0.5
107.04970	0.7
107.08616	1.0
108.89486	0.3
109.06502	0.4
109.10155	1.2
115.05452	0.5
117.03388	0.4
117.07077	0.4
118.04183	0.4
119.04947	0.5
119.08587	1.0
121.06499	0.5
121.10156	1.1
123.04407	0.4
131.08546	0.4
133.06496	1.0
133.10106	0.7
135.08052	0.6
135.11655	0.8
136.82069	0.3
137.06001	3.6
137.09621	0.5
145.02792	0.4
146.03638	1.2
147.04388	0.7
149.06017	0.9
149.08377	0.6
149.09569	0.7
151.03889	0.6
153.05470	1.0
154.18570	0.3
159.11653	0.6
160.36313	0.4
161.05974	2.5
162.06749	0.7
167.06953	0.5
175.07599	0.8
177.05463	1.3
179.03403	1.1
181.06779	0.5
187.07584	0.7
191.06987	0.7
195.13774	0.6
196.13271	0.4
203.07040	1.4
235.07515	0.7
243.06554	0.8
250.06195	0.4
251.06856	0.6
253.08577	0.5
264.08017	0.4
266.05884	0.5
269.08218	0.4
271.06030	0.6
277.08405	0.5
281.08200	0.4
282.08182	0.4
286.08313	2.3
293.08069	0.4
296.10431	0.8
297.11295	0.8
307.09769	0.7
311.05624	0.4
311.08994	0.9
321.11169	0.5
325.10703	1.6
327.12277	0.6
339.08606	1.4
339.12311	1.4
342.10904	0.4
357.14243	6.5
357.18839	100.0
358.19144	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1543
Annotation	2,6-Dimethoxy-4-(2-propenyl)phenyl beta-D-glucoside
Peak:m/z	Relative Intensity
53.03940	1.2
55.01865	1.5
55.05502	2.8
56.96554	2.3
57.64401	0.7
60.25182	0.7
65.03944	0.8
65.30843	0.7
67.05495	2.9
68.82726	0.7
69.03420	3.6
69.07059	2.5
71.04978	3.0
71.08284	1.3
75.80636	0.7
79.05499	4.6
81.03428	3.9
81.07058	5.8
83.04962	1.0
83.08612	1.6
85.02911	4.9
85.06538	2.1
91.05492	5.3
93.07058	5.1
95.04964	2.1
95.08607	3.2
97.02906	2.0
97.06511	1.9
98.97579	1.8
99.04428	1.3
103.05465	1.6
105.03371	1.1
105.07055	4.1
107.04958	2.7
107.08587	2.7
109.02888	1.9
109.06517	4.8
109.10127	2.2
111.04443	1.6
115.05469	0.8
116.98661	0.8
117.03308	0.9
117.07001	1.3
119.04881	0.8
119.08569	1.3
121.06480	1.7
121.10107	3.9
122.03658	1.2
123.04399	2.8
123.08166	0.9
124.05244	1.0
125.05991	11.7
127.03915	2.5
129.06982	1.3
131.08575	2.0
133.06583	0.9
133.10094	1.2
135.04338	1.1
135.08049	4.9
135.11707	2.0
137.05986	7.9
137.09656	1.0
139.07544	3.7
145.10077	1.3
147.04402	2.3
149.09642	1.2
149.13264	1.2
151.03917	1.1
151.11180	1.0
153.05458	3.5
153.12823	1.0
154.06259	24.8
155.06993	2.4
159.11667	1.2
161.05968	1.5
163.03885	1.1
163.07545	3.0
165.05469	2.6
167.07051	33.7
167.10657	1.2
177.05469	3.5
177.08968	0.8
180.07813	1.4
191.08667	1.0
195.10175	100.0
196.10486	0.8
203.07025	1.0
205.08626	7.3
207.10017	1.4
213.14888	0.9
219.08069	1.1
236.08371	1.0
253.08546	0.9
265.08499	1.0
267.09131	1.2
269.12286	0.8
285.10040	1.4
295.09729	1.4
307.09647	1.7
311.12656	2.4
325.10614	1.4
327.07938	0.8
327.12158	1.0
339.12085	2.4
356.69693	1.3
357.09653	0.7
357.13394	5.5
357.17389	0.8
357.19385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.96565	0.4
57.03404	0.4
67.05504	0.8
69.03441	0.6
69.07069	0.7
71.49823	0.3
79.05476	0.5
81.03413	0.5
81.07059	1.4
85.02892	0.4
91.05482	1.0
93.07050	0.6
95.04973	0.5
95.08602	1.2
96.08992	0.2
97.10158	1.0
98.97585	0.4
99.83392	0.3
105.07065	0.8
107.04927	0.5
107.08593	0.7
109.02898	0.3
109.10131	0.6
111.08078	0.3
115.11948	0.3
117.03396	0.4
119.04919	0.4
119.08598	0.4
121.10134	0.5
123.04471	0.6
125.05991	0.3
127.03954	0.5
129.07014	0.5
131.08537	0.3
135.11708	0.4
137.05981	2.9
145.02841	1.0
147.04495	0.6
149.05998	0.4
151.03905	0.5
151.07571	0.7
167.07060	0.6
177.05472	3.0
187.07542	0.5
189.09091	0.6
195.13698	0.5
196.67085	0.3
219.08115	0.5
236.08173	0.3
247.07516	0.5
249.09097	0.5
257.02271	0.3
261.09348	0.3
265.08704	0.5
267.10187	0.6
279.10172	0.4
303.23380	0.4
307.09479	0.5
321.11255	0.3
321.24265	0.5
325.10580	0.8
327.12314	0.3
329.13840	3.0
339.12421	0.8
357.18835	100.0
358.19080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.3
56.25487	1.1
58.99858	3.4
67.05478	1.9
69.07067	8.1
70.06597	10.7
71.54813	1.5
77.00920	5.8
79.05495	21.4
81.07037	6.3
83.08611	4.1
88.07632	15.7
91.05476	3.2
93.07072	1.5
94.97072	1.1
95.01940	3.9
95.08598	1.5
97.10143	1.4
102.09188	2.6
105.07020	4.5
106.08661	7.0
107.08588	7.6
109.10178	1.5
115.02426	1.4
117.04009	1.9
117.06994	2.2
121.10154	2.5
129.04042	2.6
133.10204	1.7
141.03990	1.3
145.10103	2.3
153.03978	1.9
155.05544	2.9
173.06627	4.1
183.08698	2.5
187.08139	2.5
201.09628	7.4
205.10831	2.1
207.05077	2.5
209.06631	5.1
209.10176	1.6
213.09740	3.1
216.96609	1.5
219.10742	1.7
221.06705	1.4
223.11755	2.4
225.09596	1.9
227.11259	7.6
231.10756	3.0
239.11311	2.3
245.12260	8.1
249.13324	1.9
250.13123	1.9
257.12314	2.6
265.12811	2.9
267.14447	2.9
283.13730	1.6
289.12997	1.4
291.70752	1.2
297.16925	3.0
313.16425	1.6
315.18143	30.5
333.19110	95.4
334.19461	2.6
338.19803	2.3
338.34210	4.9
351.20172	55.3
352.20334	1.8
356.16379	1.7
356.20752	27.7
356.35233	100.0
374.22055	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	30.3
56.18214	13.2
56.19017	16.1
56.96556	27.8
61.02917	15.4
62.06086	87.0
67.05511	62.6
69.03425	20.5
69.07056	30.1
69.65511	100.0
79.05479	46.9
79.49640	13.2
81.07053	58.3
83.04968	19.3
85.02888	21.9
85.07781	13.4
91.05474	23.3
93.07043	63.8
95.04919	15.3
95.08588	34.3
97.10178	17.3
98.97578	40.5
102.97088	15.6
105.06998	19.6
107.08602	42.5
109.10108	15.5
121.10104	18.3
123.04472	15.9
131.08604	23.8
135.11708	15.3
142.25737	14.7
174.95677	13.9
267.08972	31.5
298.81619	17.8
333.19022	66.9
338.26736	29.3
354.36572	16.7
356.14999	22.6
356.18893	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.3
56.96581	9.6
67.05489	14.2
69.07085	7.4
69.18040	31.1
69.18465	49.4
69.49590	6.6
69.52103	6.9
77.00888	8.2
79.05473	6.6
81.03434	8.3
81.07058	17.2
87.93068	6.4
93.07030	8.8
95.04921	9.0
95.08601	21.6
103.19212	7.8
106.48837	7.0
107.08543	8.3
116.98600	9.6
121.06513	7.7
267.09177	6.9
315.18018	18.3
333.19150	40.1
351.20056	9.8
356.18839	100.0
356.25934	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55856	13.6
53.03946	16.6
55.05528	14.8
56.96563	41.2
57.03445	16.8
61.02921	18.7
66.72176	11.9
67.05491	31.6
69.07062	27.2
69.78672	52.9
69.79086	21.4
79.05492	25.0
81.03397	15.6
81.07053	55.4
81.39973	14.8
83.08606	19.8
85.02921	19.3
91.03974	12.9
91.05480	59.5
93.07050	100.0
95.08614	40.0
97.02922	13.1
97.06530	14.3
98.97577	47.0
105.03419	21.3
105.07035	35.2
107.08607	75.9
109.10158	29.6
116.98637	22.8
117.07089	13.3
121.10165	17.6
135.11694	27.3
139.51971	13.9
165.70839	16.5
280.14288	57.1
325.64490	13.7
333.19147	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	Melianoninol
Peak:m/z	Relative Intensity
53.03924	4.4
55.01871	19.8
55.05493	10.8
56.96569	5.1
57.03422	7.7
57.07065	6.2
65.03931	5.9
66.78439	2.3
67.05516	16.4
69.03416	12.7
69.07076	33.3
69.24400	15.4
69.24837	11.6
69.43623	2.8
71.05011	6.1
79.05506	18.2
81.03411	10.8
81.07056	30.9
83.04987	7.0
83.08609	13.1
85.02943	15.6
85.06554	18.5
89.03947	2.7
91.05481	24.5
93.03362	4.5
93.07045	27.6
94.04196	6.5
95.04955	9.3
95.08616	68.2
97.02875	11.3
97.06525	4.4
97.10139	5.8
98.20789	7.0
98.97559	6.5
99.04441	3.9
99.08099	21.5
103.05483	19.0
105.03372	5.8
105.07037	21.1
107.04967	30.5
107.08600	31.9
109.02839	3.1
109.06535	14.8
109.10125	16.0
111.04430	3.9
111.08050	9.4
111.11731	26.7
115.05434	7.2
117.03374	6.5
117.07034	5.0
119.04942	3.8
119.08583	16.2
120.74607	2.7
121.02900	2.8
121.06490	7.1
121.09323	3.9
121.10149	46.0
122.03641	12.3
123.04428	10.2
123.08082	5.0
123.11700	19.5
125.05994	3.0
127.03951	3.6
129.06996	4.8
130.70282	3.4
131.04926	24.5
131.08559	6.6
133.06502	4.7
133.10120	11.4
135.08003	7.0
135.11685	12.3
137.05989	100.0
137.13203	4.2
138.23387	3.0
139.11142	5.2
141.07042	3.0
145.02814	14.6
145.10106	6.2
147.04414	13.1
147.08034	6.6
147.11656	6.7
149.05951	7.1
149.09641	4.8
149.13228	7.1
151.03889	5.3
151.07527	5.4
153.05522	4.9
155.04919	3.5
157.10075	4.6
159.11719	6.6
160.05093	3.3
161.05992	25.9
161.09651	3.5
161.13304	7.6
162.06670	5.4
163.03918	2.9
163.07594	19.8
163.14796	5.7
165.05530	39.6
165.06918	6.3
165.12636	3.3
167.07100	6.6
171.04324	3.9
172.05142	3.5
173.81436	3.0
175.07544	10.1
175.14835	6.7
177.05498	32.2
177.09149	3.2
177.16397	46.3
179.08556	5.7
181.04933	3.4
187.07539	11.2
187.14821	2.8
189.07018	7.9
190.07750	11.8
191.08568	11.1
193.08513	4.2
195.17409	4.2
201.16422	4.4
203.07140	6.7
205.06732	4.0
205.08630	8.6
207.07997	10.0
207.09961	5.2
213.16315	3.0
215.06999	6.5
217.06534	4.7
218.07336	19.7
219.08069	31.0
219.17371	3.5
221.06012	6.9
223.07677	3.1
225.05505	3.2
227.14384	3.6
229.06474	6.9
231.08067	3.4
234.06703	8.4
235.07675	15.6
236.08308	4.5
237.09091	4.5
246.06808	17.8
247.07587	27.0
248.08192	3.9
249.09024	10.6
251.10745	4.9
253.08569	4.5
257.05978	3.6
261.09189	24.6
262.06177	5.7
263.07077	9.5
264.07913	13.7
265.08569	8.7
267.09619	4.6
274.06232	14.2
275.06949	16.8
277.08612	23.8
278.09360	7.0
279.06927	2.5
279.10147	18.8
285.10107	11.5
289.08594	41.7
290.09256	5.4
291.06619	4.3
292.07236	6.3
294.08762	7.9
295.09506	9.7
303.19452	6.3
306.08868	5.2
307.09647	85.9
309.07590	5.8
309.11221	16.6
321.07620	4.9
321.11261	68.3
321.20523	9.1
327.12332	29.4
339.12292	46.1
339.21423	7.1
357.09665	5.9
357.13287	22.9
357.18274	6.5
357.22910	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
54.71962	2.4
55.01863	2.8
55.05491	2.3
57.03426	8.5
59.04718	4.0
59.05005	71.0
61.02914	4.7
69.03432	41.9
69.07065	22.6
70.06591	3.1
70.86903	2.3
71.04977	6.9
71.53689	3.3
73.02930	3.4
73.06547	7.4
79.05482	3.8
81.03416	26.4
81.07035	5.5
84.08094	2.3
85.02909	100.0
85.06547	3.0
85.13049	1.9
87.04470	88.0
87.08107	50.3
91.03931	5.2
91.05468	17.1
92.05805	2.3
93.07027	2.8
97.02900	85.3
98.97552	5.8
99.04444	8.9
99.42477	2.4
101.18143	2.4
103.03910	2.7
105.05505	77.7
105.09126	9.8
107.04933	2.3
109.02885	24.1
109.10131	3.8
127.03918	86.5
127.11196	3.2
133.08607	22.0
133.10156	3.6
135.07974	2.0
143.00153	2.1
145.04964	68.5
145.12186	4.4
151.03857	3.0
157.72313	2.5
163.06023	11.2
177.05434	3.5
194.08078	4.1
213.07707	2.5
213.11159	4.0
231.08661	20.1
231.12164	10.3
239.53394	2.3
249.09708	55.5
259.11725	12.1
277.12842	10.7
291.03757	2.3
303.14249	4.3
356.08109	4.4
356.13275	6.7
356.17429	4.4
356.24411	5.2
357.15283	20.2
379.63205	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	355.2846
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.16390	1.4
53.03941	2.4
55.01886	1.6
55.05517	26.5
55.83365	1.5
57.03448	7.5
57.07077	13.4
61.84791	1.4
61.99300	1.4
67.05508	79.7
69.07070	37.7
71.04974	3.4
71.08628	7.7
71.81016	1.9
79.05067	2.3
79.05499	28.3
81.07062	100.0
83.04967	1.9
83.08618	27.1
85.06548	3.6
85.10197	1.7
88.07658	2.3
91.05482	21.3
93.07050	30.0
95.04957	2.4
95.08614	92.6
97.06554	12.4
97.10184	18.4
98.20766	2.6
99.08090	5.7
105.07047	15.4
107.08605	20.9
109.06509	2.1
109.10168	45.9
111.08101	4.2
111.11691	7.3
117.06993	1.6
119.08588	17.1
121.10152	31.3
123.11706	25.6
125.09660	3.5
125.13274	1.9
129.05489	2.1
133.10135	18.0
135.11697	16.2
137.09604	3.2
137.13293	7.9
141.12759	2.3
147.11670	12.2
149.13225	14.2
151.11078	2.3
151.14841	7.0
153.12708	2.9
161.13214	12.1
163.14809	14.5
165.12802	2.9
165.16382	8.9
167.14363	1.9
175.14862	12.7
177.09172	2.4
177.16415	3.5
179.17972	5.6
180.99593	1.8
181.15952	1.9
189.16357	5.8
193.15901	2.3
212.65370	1.4
217.19579	1.5
231.07390	1.7
244.90114	1.4
245.22672	56.5
246.23154	1.9
263.23715	64.8
265.25156	1.7
305.11908	2.2
337.27368	40.0
341.70377	1.7
355.16672	2.6
355.28452	9.5
355.33936	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	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03939	2.6
55.01859	2.2
55.05514	30.1
57.03445	9.8
57.07079	14.5
57.82965	1.1
64.66102	1.2
65.03934	1.4
67.05508	85.9
69.07072	41.0
70.06626	1.3
70.58224	1.4
71.04987	3.3
71.08635	8.3
75.04475	1.2
75.16199	1.1
79.05495	29.8
81.07061	100.0
81.61120	1.2
83.04997	3.3
83.08622	26.8
85.06528	3.4
85.10181	3.1
88.07600	1.9
91.05478	18.0
93.06482	2.3
93.07047	31.9
95.04955	1.9
95.08611	98.9
97.06538	8.5
97.10181	21.4
98.20729	2.7
99.08073	5.2
103.03954	1.7
105.07034	13.5
107.08597	20.7
109.06554	2.0
109.10161	44.4
111.08088	3.8
111.11700	6.9
113.09615	3.4
119.08584	16.3
121.10152	29.7
123.08110	2.3
123.11716	26.2
125.09612	2.8
125.13269	3.5
129.05447	2.0
133.10135	17.5
135.11693	15.5
137.09628	2.7
137.13278	12.5
139.11151	1.4
141.12750	2.7
145.10057	1.5
145.75345	1.2
147.11702	12.2
149.06044	1.4
149.13258	14.0
151.11227	3.0
151.14821	8.8
153.12744	1.5
155.14326	3.3
161.13275	16.0
163.14857	14.6
165.12729	2.2
165.16414	6.7
167.14261	2.1
175.14836	13.3
177.09019	1.4
177.16292	2.9
179.14255	2.1
179.18028	7.0
180.25423	1.3
181.15857	2.1
189.16402	4.6
193.15833	1.9
201.80544	1.3
203.17950	2.6
211.16870	1.3
213.86995	1.2
229.07463	2.3
245.22668	50.8
247.24100	1.4
251.19980	1.7
263.23706	57.3
281.24753	1.9
337.27383	42.5
355.17480	2.5
355.28592	8.1
356.35074	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05269	1.7
55.05515	24.6
56.96577	2.1
57.03424	5.7
57.04336	1.5
57.06832	1.2
57.07078	11.1
65.03942	1.8
67.05506	79.4
69.03403	1.4
69.06731	2.3
69.07069	30.8
69.30074	3.7
69.30476	9.8
70.26850	1.6
71.04995	2.9
71.08623	5.4
76.81126	1.5
79.05492	22.2
81.07058	100.0
83.04985	3.0
83.08620	23.3
85.06551	3.3
85.10153	4.5
91.05464	17.7
92.79810	1.4
93.06481	2.5
93.07040	31.3
95.08607	83.3
97.06517	7.3
97.10164	17.5
99.08072	4.5
99.82734	1.6
105.07041	11.9
107.08598	22.3
109.10164	45.3
111.08079	3.8
111.11735	7.2
113.09652	3.0
119.08573	9.7
121.10144	28.8
123.08044	2.8
123.11707	21.3
125.13242	3.1
125.85115	1.6
127.11199	1.8
133.10130	21.4
135.11693	17.6
137.05894	1.6
137.09564	2.9
137.13239	9.0
141.12784	1.6
147.11679	10.7
149.13260	13.5
151.07529	1.6
151.11172	2.3
151.14819	6.1
155.14291	1.5
161.13263	16.2
163.14848	16.2
165.12752	2.7
165.16412	7.5
175.14824	11.1
177.16374	4.7
179.17931	4.3
181.15782	1.7
189.16367	4.0
203.18010	3.3
217.19559	1.8
229.07497	3.2
245.22655	50.9
263.23712	57.3
305.11844	1.8
312.86627	1.5
337.27377	32.3
355.17316	3.0
355.28683	7.6
356.35046	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	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.01884	0.3
65.34261	0.3
66.02441	0.2
67.05495	0.5
69.03419	0.6
69.07055	0.4
71.45896	0.6
79.05495	0.5
81.07039	0.9
83.04951	0.3
84.36370	0.3
91.05471	0.8
93.07054	0.7
95.04984	0.4
95.08586	1.0
97.06550	0.4
98.97559	0.3
105.07024	0.7
107.04981	0.4
107.08612	0.7
109.02754	0.3
111.08080	0.4
119.08550	0.6
121.06525	0.3
121.10136	0.4
123.08080	0.3
127.03914	0.4
133.10153	0.5
135.11610	0.3
137.05975	0.6
143.05647	0.7
149.09654	0.4
190.04605	0.3
193.15895	0.4
201.05534	0.4
249.39915	0.3
355.17273	100.0
356.17679	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	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05513	13.5
57.07066	7.5
59.37358	1.6
67.05510	37.0
69.07071	19.0
69.46288	10.6
71.04979	2.7
71.08630	5.5
79.05487	12.2
81.06590	3.2
81.07056	48.0
83.04987	3.0
83.08618	14.7
91.05479	7.6
93.07051	14.6
95.08610	39.7
97.06539	5.0
97.10181	9.8
98.43816	1.5
99.08109	2.3
105.07033	6.5
107.08611	12.3
109.10156	22.9
111.08051	2.0
111.11741	3.9
117.11971	1.7
119.08581	7.6
120.76751	1.8
121.10170	16.8
123.11683	9.9
125.13248	1.8
127.74565	1.6
131.03282	1.7
131.08534	2.2
133.10121	8.4
135.11678	9.6
137.13213	3.9
141.12691	1.9
145.10173	3.7
147.11702	6.3
149.13261	7.6
151.14865	4.1
154.63748	1.8
157.10075	2.6
161.13261	7.1
163.14864	8.0
165.16426	5.3
175.14832	6.4
177.09181	1.7
177.16380	2.0
179.17909	2.3
189.16373	2.8
202.35973	1.8
211.14833	1.7
239.44899	1.9
245.22678	29.8
257.98459	2.2
263.23712	33.7
337.27493	16.1
355.28223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
54.07146	2.2
55.01856	3.3
55.05509	28.7
57.03431	8.7
57.07072	9.7
63.22710	2.4
64.72803	2.2
65.03960	2.3
67.05505	83.8
69.07071	38.6
69.07426	4.3
69.21296	2.4
69.85966	12.9
71.08640	6.5
79.05495	20.0
81.07056	100.0
83.08625	26.9
85.06538	5.0
85.10165	2.5
91.05469	17.8
93.07053	30.6
95.08611	90.2
97.06548	7.9
97.10175	16.5
98.21462	3.6
105.07048	17.5
107.08617	22.4
109.10168	45.9
111.08099	4.8
111.11754	6.3
113.04572	2.4
119.08566	12.4
121.10136	30.8
123.11700	22.6
127.11198	2.7
129.05449	3.6
133.10143	19.4
135.11670	15.1
137.13274	8.4
141.12753	2.9
147.11693	13.0
149.13239	15.5
151.11296	4.2
151.14917	5.3
161.13268	17.7
163.14844	13.2
165.12743	2.4
165.16425	8.9
175.14821	13.7
179.17967	7.9
189.16426	8.1
207.17529	2.4
235.68867	2.4
245.22650	55.0
245.24991	4.4
263.23700	60.4
329.70142	2.4
336.07797	2.7
337.27371	47.3
355.17383	2.6
355.28278	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1727
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
64.35326	0.4
66.77673	0.4
69.32204	0.4
70.81760	1.1
73.54586	0.4
81.07027	0.5
91.05484	0.4
93.07030	0.5
96.10845	0.4
121.10194	0.5
203.05252	4.8
239.29124	0.5
355.17276	100.0
356.17554	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48257	0.2
55.05511	0.4
56.96556	0.6
67.05508	0.7
69.03423	0.5
69.07059	1.0
69.80322	1.0
71.04996	0.3
74.39239	0.2
74.67731	0.2
79.05500	0.8
81.03428	0.3
81.07036	1.0
85.02885	0.4
85.06541	0.3
89.59826	0.2
91.05481	0.5
93.07033	1.2
95.04945	0.5
95.08597	0.9
97.10165	0.3
98.21456	0.3
98.97567	0.6
99.04430	0.3
103.29704	0.2
105.07027	0.8
107.04945	0.6
107.08571	0.8
109.06503	0.5
109.10170	0.6
111.08057	0.5
115.05437	0.4
119.08597	0.5
121.06515	0.3
121.10161	0.4
123.08097	0.3
123.11658	0.4
127.03916	0.4
127.69340	0.3
131.08559	0.4
131.22374	0.2
133.10138	0.5
135.08038	0.3
135.11674	0.3
137.06003	0.7
139.07506	0.3
145.10194	0.3
145.59317	0.3
147.11699	0.4
149.13155	0.3
151.03917	0.6
151.07486	0.3
153.05539	0.2
163.03857	0.6
167.07068	0.4
175.07484	0.5
177.05396	0.4
193.12076	0.3
201.05458	0.7
245.06131	0.3
256.72821	0.3
312.14087	0.4
319.22836	0.6
323.08984	0.4
327.11960	0.3
337.10846	0.3
337.14673	0.4
355.17285	100.0
355.66977	0.3
356.17694	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1727
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.57877	0.4
53.63468	0.3
70.81846	0.7
70.82183	0.6
80.44301	0.4
86.83311	0.4
108.07746	0.4
111.51891	0.3
147.04338	0.6
167.18697	0.4
173.27536	0.4
203.05223	2.4
260.49799	0.4
355.17279	100.0
356.17703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.6
57.03440	0.6
59.05002	3.5
64.46051	0.4
67.05508	0.7
69.03419	1.4
69.07050	0.6
70.06585	0.8
71.30920	1.0
71.77881	0.4
73.04765	0.6
81.03435	0.6
81.07034	0.6
85.02907	2.9
89.03929	0.6
89.06020	0.5
89.35503	0.4
91.05452	0.8
97.02893	1.8
98.97591	1.1
99.04440	0.6
105.03390	1.9
107.04951	1.0
107.08635	0.9
109.02881	0.7
117.03346	0.8
117.07040	0.5
117.09140	1.2
121.02876	1.1
121.10153	0.5
122.06020	1.3
127.03925	1.0
131.08569	0.5
133.06549	0.9
135.04439	1.5
137.05984	1.0
145.02873	1.0
147.04417	1.0
147.08061	0.7
149.06036	0.9
150.05464	0.8
151.03893	2.0
155.08476	0.5
161.05998	0.9
163.03915	6.6
170.08112	1.0
175.07483	0.6
177.05449	0.6
178.02585	0.6
189.05487	4.3
191.14334	0.9
192.04286	0.6
193.04976	6.0
193.08427	1.3
193.12112	0.5
193.14696	0.5
203.07068	1.9
205.04990	22.2
206.05699	1.6
217.05000	2.3
217.08557	0.5
229.04919	0.6
231.06523	4.6
235.06020	17.8
243.06500	0.6
245.08089	2.4
255.06459	1.0
259.06067	8.3
271.05923	2.5
273.07501	0.6
277.08310	0.6
281.10046	0.6
283.06052	2.3
284.10452	0.5
289.07068	5.3
301.07104	3.2
311.14697	0.6
319.08200	2.2
337.09039	1.4
337.13748	0.8
338.12390	0.7
355.10205	3.7
355.13660	100.0
356.13898	1.5
369.85300	0.5
377.16235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55673	0.5
52.90611	0.5
53.03942	1.1
53.32806	0.5
55.05513	1.1
56.34333	0.5
56.96558	0.9
61.02906	0.5
65.03941	0.8
67.05507	3.4
67.50528	0.5
69.03423	1.2
69.86030	2.7
71.05003	0.9
73.04764	1.3
79.05492	1.4
81.07056	0.9
82.06591	5.4
84.96020	0.5
85.02895	2.3
86.64777	0.5
89.03909	4.2
89.06032	2.8
91.05855	0.9
93.07035	0.9
95.04959	0.9
97.02889	1.3
98.06046	1.0
98.97572	2.0
105.03389	1.4
107.04940	1.7
108.08139	0.7
109.02904	0.6
110.06050	15.7
110.97575	0.8
116.98604	0.6
117.03382	5.9
117.55521	0.6
122.06012	1.2
126.05526	6.8
127.03838	0.8
128.07079	2.4
128.98595	0.6
130.06462	0.6
131.04941	0.7
135.04425	9.5
136.07584	60.0
137.05977	1.4
138.05492	1.8
139.03906	0.7
140.07056	1.3
145.02844	7.1
152.07025	2.9
163.03911	65.1
164.07072	100.0
165.07504	1.0
167.07094	0.6
170.99605	0.7
177.05579	0.6
177.09143	0.9
182.08134	84.5
183.08499	1.0
193.04959	1.6
197.05334	0.7
198.09167	1.0
203.05220	2.6
204.07625	0.9
206.05780	0.9
216.10167	0.6
219.01746	1.4
230.08156	1.0
237.02846	1.4
256.09659	1.4
259.10715	0.7
268.97726	0.5
301.11798	1.1
302.10245	1.9
305.11584	0.7
308.00610	0.5
319.12906	5.1
320.11270	1.5
337.13889	1.9
338.13303	1.6
355.00964	1.4
355.06866	1.2
355.16904	3.0
355.99374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.06912	0.3
51.37724	0.3
63.02362	0.4
67.05466	0.3
70.58060	0.3
70.83792	0.3
70.84142	0.6
72.73922	0.3
79.05487	1.2
83.04972	0.7
88.09595	0.2
89.03919	6.1
95.04974	0.3
107.04967	2.0
109.33483	0.3
117.03381	8.7
128.56770	0.3
135.04419	15.1
145.02840	12.7
163.03903	100.0
164.04269	0.9
181.04953	0.4
199.86150	0.3
337.09061	0.3
355.13513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.03922	0.2
57.03416	0.3
64.95885	0.2
67.01846	0.7
68.99785	0.3
69.03412	0.5
69.07056	0.2
70.06042	0.8
70.28078	0.2
76.21363	0.2
81.03399	0.2
85.02905	1.6
91.05452	0.4
93.07016	0.4
95.04943	0.4
97.02898	0.2
98.06048	0.2
98.20775	0.2
105.03397	5.3
105.06973	0.3
107.08598	0.3
109.02869	0.4
115.21101	0.2
123.04420	0.4
125.05943	0.4
127.03903	0.4
133.10107	0.4
137.06023	1.0
147.04437	1.1
147.11652	0.2
151.03912	0.6
152.24651	0.2
153.01819	0.7
161.65605	0.2
163.03864	0.3
165.05379	0.3
169.04951	0.6
179.07050	1.6
190.05228	0.3
193.04974	100.0
194.05293	0.8
197.08003	0.5
201.05411	0.3
205.33011	0.2
229.36426	0.2
232.95290	0.2
325.10699	0.2
355.10309	0.4
355.13913	0.5
355.17334	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27262	0.5
55.01881	0.5
55.05499	0.8
55.12251	0.4
56.96557	0.8
57.03429	0.8
58.67115	0.4
59.04999	3.9
59.77353	0.5
61.02917	0.7
67.05501	1.2
69.03422	1.5
69.07059	0.9
73.02905	0.7
79.05488	0.8
81.03412	0.8
81.07046	1.1
83.04949	0.8
85.02908	3.2
86.50869	0.4
87.04492	0.6
91.05432	0.7
93.03404	0.4
93.07028	0.6
97.02879	1.5
98.97585	1.1
103.03933	0.6
103.48642	0.5
105.07032	0.6
107.04949	1.0
109.02855	0.9
109.06487	0.6
110.20271	0.4
117.03375	0.7
117.09119	1.4
120.07355	0.5
121.02821	1.0
121.06470	0.6
122.06044	2.4
127.03882	1.1
133.02911	0.7
135.04411	1.4
137.05972	1.7
145.02870	1.2
145.04941	0.8
145.06491	0.7
147.04413	0.6
147.08037	0.6
150.05573	1.0
151.03914	1.4
163.03925	5.8
177.05490	0.5
188.09306	1.0
189.05495	3.8
193.05034	5.6
193.08424	1.3
193.14354	0.9
203.07079	2.0
205.04961	23.7
206.05630	1.3
210.54144	0.5
217.04942	3.8
217.08571	0.6
227.07074	0.7
231.06538	3.8
235.06027	16.6
243.06581	0.6
245.08043	2.8
255.06622	0.7
259.06024	7.6
271.06027	3.0
283.06021	2.4
289.07062	5.1
301.07135	3.7
305.11728	0.9
311.14621	1.2
319.08124	3.2
319.12625	0.6
337.09451	2.6
337.13089	0.4
355.13641	100.0
356.14072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.8
57.02129	6.0
66.06271	6.2
67.05494	22.1
69.07072	13.9
70.06587	7.6
70.59105	15.5
79.05474	11.3
81.07041	11.1
83.24594	5.7
86.04886	6.4
88.07622	21.5
91.05469	11.1
93.07031	12.3
95.08610	7.9
105.07030	8.7
107.08627	8.9
109.10159	7.6
116.80331	6.2
133.10115	8.3
135.11714	8.7
229.07523	10.2
240.97314	6.1
266.48825	6.8
291.19684	6.5
308.12973	6.2
314.38803	7.0
341.57614	6.8
354.26398	6.2
354.33673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	28.8
55.05747	6.4
56.96550	19.3
57.03438	8.8
57.07063	7.5
58.03082	8.1
62.06094	100.0
63.57646	5.9
64.96852	5.9
67.05499	23.2
69.03438	8.2
69.07056	23.4
70.06562	7.9
71.55204	8.6
72.08807	7.2
79.05486	23.5
81.07059	43.1
83.04977	6.9
83.08627	9.3
85.02883	6.9
85.06540	9.5
90.60595	7.3
91.05467	18.7
93.07044	26.3
95.04971	17.1
95.08583	34.9
97.06504	8.1
98.06824	5.9
98.97581	16.9
105.07021	23.7
107.05036	6.2
107.08581	20.3
109.06507	15.3
109.10175	8.6
111.63953	5.9
117.07018	15.2
119.08580	25.5
121.06613	6.2
121.10129	12.3
123.08073	12.0
125.09555	5.8
129.06979	5.8
131.04936	10.3
131.08585	10.5
132.52763	5.7
133.10135	8.3
135.11644	8.8
137.84209	6.6
145.10088	15.3
147.04361	11.5
147.08122	10.3
147.11688	6.5
150.06337	6.3
159.11594	11.5
163.11171	10.1
171.11754	9.0
250.17979	21.7
268.19138	20.3
273.18436	19.9
276.23145	7.2
286.20117	15.0
291.19620	43.2
294.24292	18.0
318.24237	18.5
331.17511	9.2
336.25192	21.8
339.57516	6.6
354.17416	11.2
354.26688	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01861	1.3
55.05511	14.0
55.70320	1.1
56.96521	1.2
57.03425	3.2
57.07063	3.3
65.03925	3.4
67.05506	76.0
69.07076	11.9
71.04975	3.5
79.05495	36.5
81.07058	81.1
83.08630	9.1
85.06540	3.3
91.05483	19.7
92.00134	1.2
93.07047	47.9
95.04954	2.1
95.08608	62.4
97.06499	2.9
97.10155	4.2
98.20794	2.8
99.08097	3.4
105.07026	16.4
107.08598	34.7
109.06526	2.0
109.10155	33.0
110.97240	1.0
111.11684	1.6
111.43382	1.1
113.09637	2.3
116.27579	1.0
117.07028	6.9
119.08575	12.3
119.17781	1.0
121.06477	1.8
121.09328	2.0
121.10144	30.0
123.08076	1.4
123.11707	19.0
125.09558	1.4
131.08565	18.7
133.10118	13.2
135.10695	1.8
135.11696	23.1
137.09550	2.1
137.13289	7.0
145.10126	14.2
147.11691	10.7
149.13263	20.5
151.14798	2.1
159.11693	13.0
161.13274	10.9
163.13593	1.6
163.14830	14.8
165.12688	1.7
173.13257	14.6
175.14838	3.2
177.12822	1.7
177.16385	4.4
179.14362	1.8
187.14821	9.6
191.14209	1.6
201.16386	2.5
205.16006	1.3
215.18010	1.4
233.22604	4.0
243.18835	1.0
243.21077	27.3
261.22147	100.0
263.23767	2.3
271.23987	1.1
273.01294	1.1
279.23053	3.6
279.44214	1.1
317.24725	1.3
335.25833	9.9
345.19604	1.1
353.26852	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.38190	4.9
54.21099	5.0
55.05521	25.3
56.96573	5.4
57.03424	7.7
57.07064	5.3
58.06585	11.7
60.01179	5.4
64.23914	4.8
67.05506	98.0
69.07058	22.7
69.82341	5.1
71.05002	7.2
71.20969	9.7
71.21329	5.8
79.05498	43.4
81.03430	6.9
81.07059	100.0
83.08608	6.1
85.00040	5.4
91.05505	34.6
93.07047	58.7
95.08609	77.9
98.97556	7.8
99.08102	6.2
105.07015	24.0
107.08603	35.6
109.10157	39.3
117.07018	10.6
119.08571	18.5
121.10152	36.8
123.11680	19.8
131.08549	14.8
133.10129	20.8
135.11688	23.2
137.13286	8.6
145.10092	19.4
147.11707	13.9
148.40369	5.3
149.13252	24.3
151.56392	5.6
159.11678	9.8
161.13223	11.8
163.14789	10.9
173.13277	15.0
180.72824	5.9
187.14912	10.3
197.11790	5.8
211.14743	7.2
243.21089	29.9
261.22144	77.5
279.22879	5.4
305.58868	5.8
335.26050	13.6
353.19037	5.5
353.26169	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1182
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03939	0.4
55.05518	0.5
57.03436	0.9
61.02907	0.5
67.05501	0.7
69.03428	2.1
69.07059	1.3
69.41734	1.9
69.42168	0.8
71.04998	3.0
73.02901	1.0
79.05460	0.4
81.03403	1.1
81.07050	0.6
83.04987	0.5
85.02901	4.1
87.04463	0.6
91.05478	2.7
94.06569	4.0
95.04968	0.7
97.02895	2.7
97.06547	0.5
98.97563	1.0
99.04443	0.6
101.05991	0.5
105.03388	1.0
107.04905	0.6
109.02900	1.0
110.97450	0.4
113.06001	1.2
115.07569	2.5
115.19546	0.4
115.72118	0.3
117.05756	0.7
118.06541	5.1
119.04914	0.6
122.06012	4.6
126.77132	0.4
127.03953	1.6
131.04857	0.3
131.07021	1.3
133.02937	0.4
134.06046	0.8
135.04408	0.8
136.07545	0.4
145.02841	0.4
145.04990	1.2
146.06013	16.5
147.04396	1.5
147.06708	0.5
148.07529	0.4
150.05522	1.2
151.03772	0.3
157.08621	1.9
157.12263	0.7
161.04703	0.4
162.05511	0.9
163.03923	3.3
164.07069	5.2
174.05508	100.0
175.06062	1.0
175.09698	0.7
176.07100	0.9
178.82295	0.3
192.06555	52.1
193.07018	0.4
200.68866	0.4
234.07588	0.5
235.06035	0.4
237.02858	0.4
245.10193	0.5
336.10828	1.1
354.11853	58.0
355.12518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05509	8.3
56.05035	14.4
56.96585	2.3
57.07051	3.5
60.04511	5.2
67.05508	19.6
69.03408	1.7
69.07072	11.9
69.64434	2.5
69.64851	6.8
70.06582	1.5
71.08633	2.9
79.05503	8.6
81.07072	12.7
83.04990	3.4
83.08607	3.8
87.65359	1.7
91.05499	6.4
93.07044	14.7
95.08609	12.4
97.10195	2.7
105.07023	3.0
107.08591	6.6
109.10158	26.8
111.11722	2.6
117.88449	1.7
119.08585	9.7
121.10178	3.8
125.09663	4.4
133.10162	2.3
135.11676	2.3
137.09645	12.9
145.10052	1.7
147.11754	2.0
151.11169	2.4
154.12276	100.0
155.10651	1.6
167.10686	6.1
172.13335	48.8
173.11761	5.6
182.15474	2.1
196.13339	40.0
214.14368	12.7
235.13353	2.2
259.20563	3.2
276.23145	5.7
277.14426	2.2
277.21661	11.8
277.50150	1.8
277.77011	1.4
294.24344	20.1
295.22455	1.7
308.25726	4.4
318.24115	2.3
336.25348	9.1
354.26450	42.0
354.33417	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01896	3.1
55.05511	16.5
57.03437	3.5
57.07066	7.8
58.36033	2.6
65.03925	3.6
65.72266	2.3
67.05508	93.9
69.07071	19.1
69.77600	12.5
71.05004	3.0
71.08619	9.7
74.12777	2.1
79.05070	4.1
79.05496	54.4
81.07063	100.0
82.07400	3.9
83.05016	3.4
83.08616	9.8
84.12508	2.4
85.06540	3.8
90.03006	2.5
91.05484	29.9
93.07047	82.8
94.07367	4.5
95.05006	3.6
95.08612	76.9
97.06521	4.2
97.10152	4.0
99.08099	9.3
105.07039	27.1
106.07387	2.7
107.08598	48.6
108.08922	2.2
109.10150	34.1
111.08068	3.3
113.09658	5.1
117.07012	15.8
118.07339	2.6
119.08595	17.8
120.49908	2.2
121.10157	35.5
123.08002	4.5
123.11722	14.8
127.03953	2.7
129.07048	2.9
131.08580	27.0
133.10153	14.5
135.11707	30.3
137.09583	4.7
137.13251	5.8
145.10126	18.5
147.11694	14.7
149.13266	25.0
151.11229	4.1
152.11534	4.0
159.11713	17.5
161.13283	15.6
163.11191	3.1
163.14841	22.5
173.13278	16.8
175.14790	5.0
177.16376	10.6
179.14355	4.6
187.14819	9.4
191.14447	3.8
201.16426	2.9
233.22667	8.6
243.21115	44.7
261.22165	99.4
279.22849	2.8
293.23157	4.4
294.21548	5.3
311.24176	5.2
335.26111	11.2
353.25247	32.7
354.33704	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.14992	0.9
53.03936	3.1
55.05515	15.3
57.03440	5.3
57.07083	5.3
65.03938	3.2
67.05508	100.0
69.07073	13.9
70.68923	3.0
71.04990	2.3
71.08636	2.4
71.92988	1.0
75.04496	2.0
76.63622	1.1
79.05496	41.7
81.07061	97.6
83.04975	1.6
83.08627	10.3
85.06544	3.2
91.05481	21.6
93.07045	56.2
95.04977	3.0
95.08611	77.2
97.06528	4.0
97.10185	3.8
99.08089	1.3
105.04575	1.4
105.07036	17.1
107.08598	33.9
109.06522	2.1
109.10164	38.4
111.08096	1.6
111.11691	1.4
113.09639	2.2
117.07030	7.8
119.08585	15.1
121.10144	30.3
123.08088	2.4
123.11704	22.4
125.09686	1.9
131.08568	18.2
133.10127	12.4
135.11699	25.1
137.13277	8.0
145.10129	14.0
147.11691	9.4
149.13260	17.4
151.11334	1.1
151.14882	1.9
159.11711	12.2
161.13286	8.7
163.11229	1.4
163.14827	10.9
165.12723	1.9
173.13251	13.7
175.14841	3.2
177.16441	4.6
179.14325	1.4
187.14798	9.4
191.14281	1.6
196.25957	1.0
201.16371	1.5
205.15887	1.1
215.18056	1.6
219.17601	1.1
233.22653	4.4
243.21071	24.7
261.22147	85.3
262.22311	1.2
263.23685	1.4
279.23199	6.1
317.24863	1.7
335.25824	14.7
337.84177	1.0
353.26889	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05275	1.4
55.05513	17.6
57.03429	5.1
57.07058	4.1
61.91529	1.6
67.05504	88.8
69.07072	12.3
70.80061	3.6
70.80418	1.8
71.04980	3.8
71.08630	1.5
75.06624	1.4
79.05494	52.7
79.31636	1.7
81.07054	98.5
83.08611	5.2
85.06548	2.1
87.96139	1.6
91.05476	20.8
93.07040	57.1
95.04980	2.7
95.08605	73.1
97.06539	3.3
97.10143	2.3
99.08075	2.4
99.54992	1.7
105.07028	21.3
107.08591	37.8
109.10159	42.4
111.08102	2.1
113.09631	2.0
117.06995	10.6
119.08564	17.0
121.10139	37.2
123.08025	2.5
123.11699	22.7
131.08560	20.6
133.10115	16.5
135.11693	28.9
137.13199	7.6
145.10106	13.7
147.11664	13.0
149.13254	22.7
151.14815	3.2
153.12718	1.7
159.11662	19.6
161.13268	10.1
163.14807	14.1
165.12741	2.2
173.13280	16.6
175.14828	5.0
176.07045	1.6
177.16399	5.1
179.14285	3.0
187.14836	10.0
191.14317	2.2
201.16429	2.2
215.17825	2.3
233.22595	3.0
243.21109	25.7
261.22141	100.0
262.22577	2.0
279.23209	4.1
335.25760	9.4
353.22485	1.9
353.26859	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03922	2.4
55.01857	3.1
55.05512	37.1
56.14612	2.0
57.03439	17.0
57.07044	7.0
59.53519	2.1
59.65761	1.8
67.05509	85.3
69.03408	3.1
69.07072	35.1
69.44021	6.0
69.44440	10.6
71.04971	3.8
71.08635	64.6
77.58643	1.9
79.05070	2.5
79.05489	36.0
81.07063	100.0
83.04951	5.9
83.08614	22.7
85.06503	5.9
91.05481	24.2
91.45293	1.8
93.07050	51.8
94.30503	2.6
95.04976	2.8
95.08611	65.2
95.64034	1.9
97.06495	7.0
97.10172	16.1
97.34151	2.1
99.08102	54.0
105.07037	24.1
107.08601	37.2
109.06467	3.0
109.09502	2.0
109.10161	30.6
111.08047	5.4
111.11647	2.2
113.09627	3.0
117.06985	7.1
119.08581	14.4
121.10145	22.9
123.08020	4.5
123.11740	10.4
124.03783	2.0
125.09582	8.8
127.11129	2.6
131.08575	17.2
133.10080	8.9
135.10864	2.0
135.11702	23.5
137.13217	8.4
145.10115	11.9
147.11693	26.3
149.02354	3.3
149.13249	14.9
151.11137	3.2
151.14780	3.7
153.12657	9.1
159.11620	9.2
161.13258	10.4
163.11142	4.4
163.14819	18.2
165.12747	12.6
167.14325	2.8
173.13251	10.1
175.14746	3.6
177.16359	5.2
181.15811	6.2
187.14725	6.7
189.11163	5.3
193.04904	5.8
229.07385	2.2
233.22610	4.4
243.21088	20.1
261.22147	48.9
279.23215	32.9
335.25729	5.3
353.26669	95.7
353.79343	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	2.4
55.05513	10.8
57.03422	6.7
57.07057	4.2
60.04968	1.4
65.03925	2.6
65.42846	1.4
67.05507	88.1
69.07067	14.8
70.82313	2.3
70.82668	3.1
75.04471	1.4
79.05067	2.5
79.05494	38.0
81.07060	98.0
83.05000	1.7
83.08607	5.0
85.06551	4.0
91.05483	19.6
93.06483	3.0
93.07047	53.9
95.08614	76.1
97.06516	3.4
97.10185	2.8
99.08087	3.6
104.05189	1.5
105.04508	1.8
105.07030	15.1
107.08603	37.1
109.06555	2.0
109.10160	36.5
111.08124	3.0
113.09612	2.5
116.14931	1.5
117.07052	10.2
119.08582	11.2
121.10149	32.1
123.08089	1.7
123.11726	21.7
125.09641	1.9
125.54625	1.5
131.08571	17.6
133.10143	12.3
135.11705	28.1
137.09607	2.0
137.13269	10.3
145.10161	13.7
147.11682	11.0
149.13281	19.7
151.14803	3.3
159.11716	13.9
161.13252	10.0
163.14850	14.2
171.43144	1.4
173.13269	14.7
175.14798	3.7
177.12720	1.5
177.16357	4.9
187.14824	10.8
189.16338	2.1
201.16443	1.9
205.15942	2.1
215.17923	2.7
233.22685	3.6
243.21078	28.9
243.23384	2.6
261.22156	100.0
262.94742	1.4
279.23260	7.8
282.91565	1.6
304.32404	1.4
335.25809	14.8
350.45682	1.4
353.26935	34.4
355.08099	1.7
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
53.03947	3.2
55.05509	10.8
57.03435	2.4
57.07066	3.5
65.03918	1.9
67.05508	72.0
69.07072	9.0
71.05000	2.2
71.08652	1.7
79.05496	38.5
81.07063	79.9
83.08614	6.1
85.06527	2.1
91.05489	20.3
93.07047	53.9
93.07640	2.9
95.04957	1.7
95.08609	58.5
97.06550	3.3
97.10181	2.1
98.21618	2.4
99.08087	2.7
105.07042	16.2
107.08601	33.2
108.95398	1.6
109.06497	2.6
109.09471	2.5
109.10162	31.4
111.08122	2.2
117.07014	8.2
119.08571	13.1
121.09318	2.5
121.10145	28.0
123.08067	1.9
123.11720	15.7
131.08578	17.5
133.10138	13.1
135.11700	27.8
137.09547	1.7
137.13248	5.5
145.10112	13.0
147.11700	9.2
149.13271	18.2
151.14871	2.0
159.11717	13.1
161.13254	8.8
163.14845	12.4
173.13298	15.3
175.14859	4.6
177.12753	1.5
177.16368	4.3
179.14253	1.8
187.14877	7.2
201.16374	4.2
223.32896	1.5
233.22701	4.4
243.18797	1.3
243.21109	27.3
261.22147	100.0
262.22183	1.9
279.23148	2.7
293.08765	1.5
335.25809	9.3
353.26868	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.49405	2.4
55.05517	15.4
57.03439	6.6
57.07081	7.9
59.36308	2.3
61.93520	2.0
65.03938	3.6
67.05508	90.6
67.11989	2.0
67.29924	2.2
69.07072	15.0
71.08618	5.4
79.05067	4.2
79.05500	59.0
81.07061	92.5
83.08627	7.6
85.06548	3.3
85.10162	2.4
91.05491	26.3
93.07047	68.2
93.07632	4.0
95.04986	6.5
95.08613	80.4
97.06521	5.2
97.10188	6.0
98.97572	4.1
99.08100	7.6
105.07038	26.7
107.08598	47.0
108.21694	2.7
109.06535	3.7
109.10153	27.0
111.08044	3.5
116.98537	2.3
117.07026	9.8
119.08591	15.8
121.10148	35.0
123.08051	3.5
123.11720	12.9
131.08580	29.5
133.10130	15.2
135.04570	2.3
135.11687	25.1
137.09554	2.5
137.13255	7.1
143.08594	2.4
145.10133	19.5
147.11690	14.5
149.13263	23.5
151.14838	5.2
153.12708	3.1
157.10135	3.4
159.11676	17.7
161.13290	13.6
163.14819	15.8
173.13304	15.0
175.14885	3.3
177.12775	3.8
177.16377	9.7
187.06548	2.2
187.14822	14.9
201.16335	3.1
229.07629	3.1
233.22656	5.7
243.21106	32.0
261.22153	100.0
263.23795	3.0
279.23019	3.3
332.15717	25.4
332.65771	9.8
335.25693	10.5
353.26508	14.7
354.33829	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.98826	2.0
53.03942	4.0
55.05527	12.3
57.03426	7.2
57.07059	4.6
65.03926	2.5
67.05509	100.0
67.27079	2.5
69.07074	17.0
71.07748	4.3
75.04494	2.5
79.05491	43.3
81.07062	95.2
83.08616	7.9
85.06554	2.7
88.99409	2.0
91.05479	21.5
93.07047	52.2
95.08617	71.5
97.06532	3.5
97.10128	3.8
105.07027	15.9
107.08591	34.3
109.10161	37.8
114.79758	2.1
117.06997	6.1
119.08590	13.0
121.10159	27.7
123.11722	18.9
127.38612	1.9
131.08562	16.5
133.10138	16.3
135.10805	3.0
135.11708	25.1
137.13229	8.7
145.10114	14.2
147.11633	9.6
149.13268	19.3
159.11713	13.2
161.13280	10.2
163.14827	14.6
173.13286	15.6
175.14807	2.5
177.16440	4.3
187.14822	11.1
201.16418	3.1
233.22618	6.2
243.21094	28.1
261.22165	98.8
279.23221	7.3
317.24521	2.7
335.25784	14.9
337.60803	2.1
353.26910	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.0
53.07469	0.7
55.01426	0.8
55.05500	3.2
57.03426	2.7
59.04990	3.4
61.02932	1.8
67.05513	1.6
69.03089	1.3
69.03436	19.2
69.07069	15.9
69.77824	4.5
71.01358	0.9
71.05000	2.0
73.02901	1.3
79.05495	2.9
81.03425	3.2
81.07052	6.9
83.04971	4.2
85.02441	1.2
85.02911	15.4
85.06529	2.4
87.04498	1.5
91.05488	4.6
93.07043	4.0
95.04960	1.3
95.08614	8.0
97.02893	6.1
97.06508	1.0
98.21529	1.0
98.97561	1.1
99.04459	1.6
101.06010	1.7
103.03907	1.0
105.07030	4.9
107.04962	1.2
107.08604	11.0
109.02867	2.4
109.06509	2.8
109.10144	1.8
111.08083	4.5
118.36409	1.0
119.08571	4.0
121.06470	1.9
121.10159	6.9
121.82010	0.8
123.08063	3.7
127.03934	6.6
131.08559	7.8
133.10159	7.2
135.08063	14.7
135.11658	2.8
137.09651	1.6
137.13268	1.0
145.04922	1.5
145.10127	2.8
147.11667	4.3
149.09631	8.5
149.13286	2.4
155.14317	2.8
158.10875	2.4
162.05524	1.5
163.14812	3.7
173.07109	1.4
173.13275	17.2
173.15364	2.0
175.14824	1.4
178.29620	1.0
191.03593	1.0
191.05388	1.9
191.08203	2.5
191.14317	100.0
214.63719	1.0
335.12711	2.1
353.13477	4.2
353.19675	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	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75251	2.0
53.03930	2.3
55.01870	4.7
55.05521	9.7
56.87053	1.7
56.96575	1.7
57.03436	5.1
57.07082	3.4
59.05004	3.7
61.02934	3.2
61.81926	1.6
65.03934	2.4
67.05177	2.8
67.05509	36.1
68.05858	2.3
69.03442	11.2
69.07071	18.0
70.06580	3.5
70.51687	5.4
71.04998	35.3
71.08631	3.5
72.08147	2.6
73.02901	3.1
73.06567	2.6
79.05472	9.3
81.03413	6.6
81.07062	100.0
83.04963	5.8
83.08597	4.4
85.02911	28.7
85.06545	24.6
87.04485	2.6
91.05482	13.3
93.07043	6.4
95.04946	3.3
95.08611	97.9
96.08939	4.6
97.02920	9.6
97.06542	2.4
98.97579	3.1
99.04448	2.7
99.08109	5.9
101.06025	7.9
105.03371	3.9
105.07032	4.7
107.04943	3.4
107.08601	5.9
109.02878	6.1
109.06480	2.7
109.10169	11.5
110.10519	4.7
111.04457	2.0
111.08057	3.6
115.05380	1.7
116.07834	1.9
116.15573	1.9
117.07025	2.2
119.08582	6.2
120.08928	3.6
121.06469	4.7
121.10178	3.2
123.08072	1.8
127.03919	8.0
131.08569	6.6
133.10162	3.0
135.04378	2.3
135.08041	3.9
137.06010	2.0
137.09601	5.1
137.13248	17.0
138.09976	8.2
145.05026	4.3
145.06432	2.6
145.10158	4.7
147.04433	3.2
147.08083	3.2
149.09607	7.2
150.05460	2.0
155.10672	14.9
155.14314	51.7
156.11029	24.1
157.15392	1.9
162.05489	7.4
163.05873	6.8
173.06015	3.7
173.09634	2.9
173.11922	8.8
173.13136	4.3
173.15379	93.5
174.12070	13.8
190.05051	4.6
191.03406	27.8
191.05276	7.0
191.06850	2.7
191.10646	2.8
191.14337	9.3
191.16440	15.6
209.11880	2.6
221.43384	2.3
289.11877	3.2
307.12689	1.9
335.12344	6.9
353.11978	6.5
353.16003	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	353.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59269	0.4
55.05496	1.6
56.96556	1.3
59.78575	0.4
67.05494	1.2
69.03426	0.8
69.07063	1.2
69.51214	2.7
69.69293	0.4
74.44929	0.4
77.70158	0.4
79.05479	1.3
80.05002	0.4
81.03429	1.2
81.07034	1.2
91.05483	1.2
93.07022	1.6
95.08624	0.8
97.02889	0.5
97.06510	0.5
98.97588	1.0
105.03389	0.8
105.06999	1.0
107.04995	0.4
107.08584	1.4
109.10104	1.0
117.06997	0.5
119.04919	0.6
119.08548	0.7
121.06536	0.4
121.10160	1.5
131.04987	0.6
135.08060	0.5
135.11626	0.6
147.04428	2.1
147.11734	0.5
149.09547	0.4
158.99664	0.7
163.11241	0.5
167.07059	0.5
171.11565	0.4
191.10741	0.7
194.60826	0.4
199.07526	0.4
226.19177	0.4
243.14392	0.5
271.14102	0.7
289.08511	0.6
293.23117	1.0
301.10394	0.5
321.10641	0.6
335.21222	0.6
353.22974	100.0
354.23254	1.4
358.22122	0.5
371.22769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.94260	1.8
55.01866	2.4
55.05514	17.8
56.05037	3.1
57.03415	2.0
60.04522	16.4
67.05511	27.6
68.05015	2.1
69.06727	2.5
69.07076	26.0
70.06584	3.8
70.96197	4.2
71.04993	2.2
77.34573	1.7
79.05505	26.3
80.05019	31.4
81.03366	2.8
81.05805	1.9
81.06664	1.9
81.07068	23.9
82.06578	4.4
82.07388	1.8
83.04985	3.8
83.08611	7.8
84.08154	3.1
91.05481	22.6
93.05801	2.0
93.07050	23.7
94.06574	16.0
94.07407	2.3
95.04960	8.0
95.07335	4.0
95.08604	20.2
96.08127	3.3
97.06528	2.6
97.10175	9.8
98.09726	2.7
98.97540	2.2
99.08083	3.0
105.07034	25.0
106.06576	4.1
107.08594	24.5
108.08128	8.3
109.06524	5.1
109.10180	8.3
110.10413	1.9
114.90220	2.0
117.07030	6.9
119.08589	19.1
120.08076	3.9
121.06496	2.0
121.10139	7.9
125.09623	3.4
129.06970	2.7
131.08548	8.7
133.10144	19.6
134.09650	2.5
135.08093	2.8
135.11732	6.1
136.11203	2.7
137.09595	2.6
138.93739	1.5
143.08604	3.1
145.10153	9.7
147.11690	10.3
148.11206	3.9
149.09645	5.4
154.12256	4.6
157.10118	2.4
159.11745	6.8
161.13245	4.2
163.11136	4.3
163.87762	2.0
171.11685	2.8
173.13263	4.6
176.14395	4.1
177.12782	2.1
179.14313	2.4
183.11652	2.2
189.11241	1.9
204.13853	17.5
206.15460	4.4
210.14799	4.1
222.14903	26.4
224.16423	4.5
256.20435	2.5
257.18979	10.9
270.47766	1.9
272.19986	2.1
274.21704	19.6
275.20074	42.6
290.21127	5.4
292.22723	81.6
293.21008	2.7
310.23984	2.0
316.22797	4.6
322.32938	2.0
334.23853	16.1
352.24918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.44246	0.5
55.01879	0.6
55.05501	2.0
56.96556	0.6
57.03443	2.3
57.07069	1.2
61.02906	0.4
64.09887	0.5
67.05509	2.3
69.03432	16.7
69.07071	11.9
71.01347	0.8
71.04982	2.0
79.05504	2.3
79.97385	0.5
81.03413	2.5
81.07053	4.3
83.04986	3.2
83.08607	1.3
85.02906	11.4
85.06537	2.0
87.04434	0.8
91.05489	2.9
93.07045	4.2
95.04951	1.3
95.08614	6.2
97.02873	3.2
97.06507	1.3
98.97582	0.8
99.04465	0.9
102.08532	0.5
105.03431	1.1
105.07048	4.7
107.04959	1.8
107.08603	9.4
109.02885	1.5
109.06509	2.5
109.10170	1.3
111.08087	5.0
117.07012	1.1
119.08588	5.2
121.06495	1.4
121.10139	6.2
123.08078	3.9
127.03935	3.8
128.98523	0.5
129.07036	0.7
131.08583	7.9
133.06514	0.5
133.10135	7.6
135.08058	14.3
135.11723	2.3
137.09633	1.0
143.08559	1.6
145.04959	1.2
145.10126	3.1
147.11722	4.4
149.09630	5.7
149.13319	2.5
158.10890	2.5
161.09637	0.9
163.11153	0.7
163.14862	3.5
173.13274	15.3
175.07607	0.5
175.14751	1.0
191.03412	4.3
191.14314	100.0
192.14639	1.2
203.05278	0.8
224.33585	0.4
247.11690	0.6
321.05811	0.8
325.07101	0.9
353.06558	1.6
353.15634	11.7
353.19647	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	352.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01871	2.3
55.05516	4.4
57.03432	1.6
60.04531	1.4
61.02920	1.6
65.03958	1.1
67.05509	13.0
69.03436	5.0
69.07076	4.6
70.68147	2.2
71.04993	12.9
71.98540	0.9
72.08156	7.8
73.02917	2.0
77.67834	0.8
79.05492	2.5
81.03431	1.4
81.07064	10.8
82.55128	0.9
83.08612	1.4
85.02905	9.7
85.06551	2.9
86.09690	1.2
87.04465	1.8
91.03973	1.0
91.05476	6.3
93.07040	6.3
95.04966	2.6
95.08610	30.5
97.02900	3.4
97.06531	1.4
98.97581	1.2
99.04434	2.7
99.08123	1.0
101.85997	0.8
105.03415	1.2
107.04977	1.6
107.08585	1.1
109.02896	3.0
109.06504	1.3
109.10163	27.3
111.08083	19.7
113.06010	1.5
119.08578	12.4
120.08118	4.1
125.09634	3.1
127.03936	3.1
127.11188	1.4
128.07076	4.1
128.16333	1.0
129.09152	1.9
131.04935	1.6
136.06195	4.2
136.07603	1.3
137.09621	38.9
140.66957	0.8
141.32176	0.9
144.04424	5.0
145.04948	1.0
147.04408	2.6
155.10670	100.0
155.14291	2.2
162.05505	31.6
166.08601	1.7
173.11742	63.1
173.15407	4.0
177.39316	1.0
187.10782	2.0
190.05000	27.1
190.08702	1.2
201.22025	1.0
220.11948	4.3
237.17343	1.0
253.11899	2.6
300.47604	0.9
316.08163	3.4
319.87839	1.0
334.09317	2.8
334.17078	1.2
352.06949	4.1
352.10678	10.9
352.14206	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
57.03437	0.8
57.07069	2.2
59.05003	0.8
61.02927	1.1
67.05507	3.9
69.03425	2.4
69.07078	3.9
69.35860	0.9
69.36272	4.3
76.89871	0.6
79.05502	2.8
80.29673	0.6
81.03424	0.9
81.07063	60.3
82.47990	0.6
85.02911	16.3
87.04453	0.9
91.05504	0.8
93.07045	2.2
95.08612	28.1
97.02921	3.2
98.97646	1.4
99.04423	0.8
107.08601	1.5
109.02892	2.2
109.10163	2.5
122.08126	0.6
127.03905	6.0
128.71161	0.6
131.08685	0.6
135.11685	2.4
137.13263	100.0
138.13582	1.0
145.04976	9.1
148.56711	0.6
155.14325	10.4
159.33688	0.5
163.06035	11.6
189.84206	0.7
198.09692	1.0
317.19662	0.8
353.15750	1.2
354.95291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.1
55.05507	1.9
56.96554	1.8
69.03427	3.2
69.07069	5.8
69.61856	6.4
71.08636	53.2
73.32548	1.2
81.07052	1.4
85.02899	6.5
91.05435	1.9
93.07054	1.7
96.36581	1.2
97.02917	1.3
98.97570	2.1
99.08099	100.0
99.69997	1.4
105.07033	3.8
106.07346	1.5
109.02910	1.6
110.97627	1.2
116.41502	1.1
119.08564	1.3
121.10176	2.2
127.03937	2.1
129.12749	12.1
133.10135	1.3
134.10472	2.5
135.08110	1.2
137.32088	1.1
155.14323	2.7
161.09596	1.3
161.81210	1.1
162.05528	5.6
162.09996	1.6
166.07933	1.1
173.15388	53.9
174.15816	1.7
190.04961	5.2
208.13454	1.3
273.51056	1.2
319.25571	1.2
352.17801	2.6
375.47403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39886	0.2
53.03935	0.5
55.01837	0.5
55.05487	0.3
56.96547	0.5
57.03407	1.1
59.04981	0.4
61.02925	1.9
61.30121	0.2
67.05469	0.6
69.03430	5.3
69.53521	1.9
71.04952	0.9
72.04494	0.4
73.02868	1.0
74.48873	0.3
79.05434	0.3
81.03420	1.9
81.07049	0.5
84.04461	0.3
84.08108	0.4
85.02905	10.3
85.06505	0.4
86.09684	0.7
87.04432	1.2
89.03863	0.3
91.03912	0.6
95.04955	0.4
95.08568	0.8
97.02899	4.3
97.06509	1.0
98.97577	0.8
99.04424	1.1
105.03355	0.5
107.04942	0.6
107.08589	0.3
109.02872	1.4
109.06499	0.4
109.10137	0.8
111.04469	0.2
117.03404	0.3
120.08080	0.6
127.03882	2.1
128.98593	0.4
135.04401	0.3
136.07516	0.3
137.09639	0.7
143.07294	0.3
144.04381	1.4
144.08058	0.5
145.04968	1.5
146.96362	0.3
147.04344	0.3
155.07056	0.6
155.10667	2.8
158.06021	1.1
162.05493	1.8
163.03941	1.6
172.07573	100.0
173.08043	1.4
173.11751	0.4
187.07233	0.3
190.08632	47.8
237.02844	0.3
281.83115	0.3
352.07068	0.5
352.10745	1.3
352.14066	14.1
353.12231	0.4
354.80612	0.3
359.00299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05499	2.5
56.11974	0.8
56.96561	3.0
57.03430	0.7
57.07072	1.0
62.33672	0.7
65.03915	0.7
67.05499	6.1
69.07070	4.3
69.29551	6.1
71.05000	0.7
79.05502	5.2
81.07056	8.0
83.04983	0.8
83.08629	1.3
91.05474	5.2
93.07052	7.6
94.04177	0.9
95.04990	0.8
95.08619	4.5
97.06503	1.1
99.04464	0.8
105.07018	4.5
107.08602	5.2
109.10165	2.5
114.09180	0.7
119.08579	5.4
121.10153	4.0
122.03667	4.0
124.88981	0.6
129.07077	1.1
131.08565	1.1
133.10129	4.5
135.11676	5.1
137.05983	100.0
138.06358	1.0
145.10124	1.0
147.11684	3.0
149.13257	2.5
151.11208	0.9
153.12746	0.8
157.10088	0.9
159.11703	1.7
161.13271	2.0
170.15392	1.7
171.11829	1.4
182.15382	5.2
185.13219	0.8
185.73169	0.8
241.19547	2.4
243.08937	0.8
255.09183	1.0
259.20538	6.4
277.21628	1.8
306.20602	8.1
333.17184	4.3
333.24228	0.7
351.18082	6.4
351.25229	8.0
369.19522	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.9
57.07089	8.3
61.55928	4.9
67.05501	32.6
69.03426	8.0
69.07073	58.3
71.04992	7.4
71.08604	6.0
71.31438	10.9
79.05504	34.7
81.07064	57.7
83.08621	20.6
91.05476	42.2
93.07050	72.9
95.04954	20.5
95.08607	74.7
97.06517	16.2
102.50619	5.4
105.07030	97.2
107.08605	54.5
109.06544	10.3
109.10165	41.0
111.08073	10.6
111.11703	6.2
117.07031	16.3
119.07781	10.2
119.08584	100.0
121.10143	56.1
123.11715	24.2
127.70496	5.8
129.07016	14.4
131.08585	37.4
133.10167	47.3
135.08037	16.9
135.11685	13.8
137.13272	7.8
141.07004	6.1
142.07834	12.3
143.08553	31.2
145.10135	48.0
146.07318	9.5
147.08151	6.9
147.11694	33.0
149.09593	21.4
156.09300	9.0
157.10117	50.4
159.11703	24.3
161.09616	33.8
161.13278	13.8
169.10136	7.7
170.10847	5.7
171.11685	24.1
173.13257	14.8
175.14853	12.8
177.16409	23.1
183.11612	9.3
185.13234	19.6
187.14830	6.6
188.26756	5.4
189.16345	13.3
194.10928	7.3
197.13222	8.1
199.14873	9.5
201.12427	6.3
201.16324	9.9
203.17979	6.8
209.13286	17.8
211.14925	6.6
213.16347	5.5
227.14294	5.8
227.17912	6.0
241.19568	12.2
253.19437	7.8
351.26837	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37553	1.2
51.65912	1.2
52.25415	1.3
53.03934	3.1
55.05276	1.7
55.05516	20.6
56.96565	2.8
57.03440	11.8
57.07063	5.0
65.03953	3.4
67.05509	54.6
69.03442	2.5
69.07078	19.0
71.04987	4.9
71.08614	2.4
71.24499	2.2
75.04476	2.9
75.04845	1.5
77.03939	2.4
79.05498	68.4
81.03430	2.6
81.07063	64.6
83.04965	3.8
83.08620	13.2
85.02871	1.5
85.06542	4.5
91.05489	59.2
93.07050	100.0
95.04966	6.1
95.08617	43.5
95.09244	2.0
97.06526	4.3
97.10179	3.3
98.97602	1.6
99.04444	1.5
99.08110	7.7
105.04539	1.4
105.07040	61.3
107.04980	2.0
107.08602	59.3
109.06516	4.5
109.10160	16.2
111.08067	4.4
113.09649	1.6
117.07013	16.0
119.08591	57.3
121.10149	45.0
123.08067	2.3
123.11720	3.9
125.09624	2.4
128.06166	2.7
129.06990	11.5
131.08578	20.0
133.10139	53.8
135.08098	3.3
135.11700	39.2
137.09627	2.5
137.13217	1.3
142.07800	1.8
143.08563	11.2
145.10133	24.9
147.07976	1.5
147.11696	52.9
149.09654	4.0
149.13255	25.3
151.11226	4.4
157.10141	13.3
159.11700	20.4
161.09613	3.7
161.13271	40.4
161.14621	2.0
163.11182	3.7
163.14844	7.8
165.12717	2.4
171.11687	12.8
173.13237	11.8
175.11156	3.3
175.14850	18.6
177.12750	2.5
177.16385	1.8
179.14314	4.1
185.13301	14.2
187.14929	3.5
189.12804	3.6
193.12346	1.7
199.14912	6.4
203.14310	1.4
213.16415	4.2
215.17973	3.1
217.15968	2.0
217.19525	4.8
231.17484	3.2
231.21069	11.7
241.19534	40.2
243.09258	1.5
259.20596	98.5
260.20999	1.9
261.22293	1.6
271.08380	1.5
277.21640	22.4
297.49570	1.9
315.22958	2.4
333.24222	10.7
351.21729	4.3
351.25317	99.1
352.25409	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.4
53.75778	3.1
55.01864	5.4
55.05511	27.4
56.96560	15.6
57.03427	13.7
57.07067	5.1
61.02928	4.1
65.03925	5.7
67.05507	52.9
69.03403	8.1
69.07079	19.1
69.98150	15.2
71.04964	5.9
71.08630	11.5
73.02905	2.8
79.05496	79.3
81.03400	11.1
81.07056	82.3
82.07417	4.0
83.04980	7.8
83.08615	9.4
85.02897	10.0
85.06548	7.1
85.75387	3.1
86.09762	3.4
91.05479	61.5
93.07050	100.0
95.04958	14.4
95.08613	49.2
97.02878	8.4
97.06547	8.5
97.10169	5.7
98.97601	6.9
99.04465	4.3
99.08094	15.9
105.03394	11.0
105.07031	78.7
107.04957	7.7
107.08593	54.3
109.02867	5.0
109.06488	8.2
109.10162	16.8
111.04434	5.4
111.08092	6.3
116.98669	3.6
117.07024	15.7
119.08589	52.5
121.10153	50.7
123.08080	3.1
123.11679	8.2
124.46112	3.4
124.77089	3.0
125.09637	4.1
127.03908	7.9
128.06213	5.0
129.06993	8.7
131.04935	3.6
131.08574	24.7
133.10127	68.2
135.08057	5.6
135.11697	42.2
137.05983	38.4
137.09637	4.5
139.07483	4.0
143.08542	10.4
144.33482	3.5
145.10126	25.3
147.11696	46.3
149.13286	17.1
151.11186	6.3
157.10133	17.5
159.11723	17.2
161.09613	24.6
161.13284	34.7
163.11192	5.7
163.14775	5.5
163.90305	3.5
171.07869	3.6
171.11697	10.8
173.13251	11.6
175.11113	6.5
175.14861	23.8
177.12743	3.6
179.10759	4.3
179.14372	3.9
183.11591	3.6
185.11768	3.7
185.13286	11.2
187.14824	3.8
189.09100	4.9
189.12776	5.9
199.14787	8.2
213.16324	4.8
217.19473	4.9
231.21022	7.1
241.19556	35.1
244.59688	3.6
249.18361	3.7
259.20584	84.1
267.09024	6.0
277.18402	16.0
277.21277	18.1
333.24283	10.5
341.75504	3.4
351.17880	3.9
351.21310	46.9
351.25293	92.6
352.25452	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20050	1.9
51.44947	1.7
53.03942	4.7
55.01863	4.7
55.05276	1.8
55.05517	29.9
56.96561	2.2
57.03441	28.0
57.07065	4.6
58.65263	1.8
65.03918	3.2
67.05505	74.1
69.03442	2.4
69.07066	23.3
71.04977	4.0
71.08633	53.1
71.42425	3.1
79.05496	62.8
81.03413	8.4
81.06588	4.0
81.07059	73.6
83.01325	1.6
83.04994	9.0
83.08622	13.6
85.06536	4.4
91.04910	2.5
91.05483	38.7
93.07044	79.9
95.04980	12.8
95.08611	51.7
97.06561	9.9
97.10156	6.0
99.08096	35.5
100.26894	1.9
103.20570	1.6
104.53736	2.3
105.07027	37.3
106.87500	1.8
107.04941	9.4
107.08595	48.9
109.06526	5.0
109.10165	22.6
111.08077	2.2
113.09650	2.4
117.07053	9.6
119.08582	33.9
121.09322	2.9
121.10149	36.1
123.08039	5.6
123.11682	3.2
125.09637	4.9
127.11219	2.1
129.07016	5.0
131.08542	10.0
133.10130	26.2
135.11697	45.0
137.09642	4.3
137.13205	3.1
141.09100	2.9
143.08554	4.6
145.10129	8.3
147.11697	17.4
149.09621	3.0
149.13284	19.7
151.11185	21.2
154.15637	2.0
157.10144	3.0
159.11714	9.4
161.13272	17.5
163.11165	8.6
163.14795	5.2
165.12791	3.7
171.11726	5.6
173.13284	4.9
175.14824	6.9
177.12743	6.8
179.14314	100.0
185.13290	6.8
187.14908	3.0
189.12759	3.8
199.14847	3.6
217.15955	2.0
221.15404	4.6
230.92352	1.8
231.21080	2.5
235.16928	7.3
241.19577	7.7
259.20605	24.0
277.21622	50.4
292.22720	2.3
293.21207	2.4
333.24408	2.8
351.25305	93.4
352.24954	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44475	2.8
53.03939	6.1
55.01866	8.7
55.05516	41.1
55.92372	3.9
56.96568	18.1
57.03432	14.9
57.07088	5.2
67.05507	69.2
69.03415	5.6
69.07071	45.8
69.75076	19.2
71.08633	14.1
79.05501	45.2
81.03429	7.4
81.07056	73.7
83.04985	8.5
83.08617	27.2
85.06557	6.5
91.05481	51.9
93.07053	73.2
95.04983	14.6
95.08608	55.3
97.06543	15.4
97.10175	9.3
99.08084	12.6
105.07034	48.6
107.08590	54.2
109.06518	7.0
109.10168	28.5
111.08076	8.7
117.07024	11.3
119.08587	41.6
121.10143	40.8
123.08028	7.1
123.11699	9.4
125.09638	7.6
129.07039	8.3
131.08592	14.7
133.10139	40.3
135.11707	35.7
137.05984	85.2
137.09624	4.0
137.13307	3.7
139.11179	4.7
143.08566	5.9
145.10130	17.6
147.11719	39.7
149.09607	4.1
149.13246	16.5
151.11192	8.5
154.12230	8.4
157.10133	5.0
159.11707	16.8
161.13284	20.6
163.11145	5.4
163.14796	4.9
165.12743	6.9
169.10008	3.7
171.11719	11.2
172.13373	6.3
173.13269	9.6
175.14845	11.2
179.14307	10.3
185.13286	8.0
187.14796	5.8
189.12787	5.0
193.53412	3.3
196.13341	4.7
199.14780	4.4
206.06004	3.4
207.13826	3.3
231.21201	7.8
241.19411	21.7
254.68803	3.9
259.20572	46.8
269.10538	3.8
273.09964	3.9
277.18607	6.1
277.21561	38.5
333.17307	25.2
333.24252	5.9
351.18207	50.3
351.21854	7.1
351.25272	100.0
352.24933	8.1
369.19330	20.0
374.20157	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01869	2.1
55.05516	16.4
56.96560	2.9
57.03424	6.6
57.07056	1.8
61.04641	1.7
67.05508	41.8
69.07075	13.8
70.97675	4.3
71.04990	4.7
79.05497	59.1
81.07061	52.8
83.08623	9.3
85.06530	1.8
91.05483	57.1
93.07050	82.3
95.04981	3.3
95.08614	32.2
97.06517	4.1
97.10157	2.3
99.08103	5.1
105.07036	56.7
107.08598	43.8
109.06520	4.6
109.10155	13.4
109.82226	1.6
111.08083	3.2
113.09649	1.9
117.07007	13.3
119.08589	60.1
121.10147	33.7
123.07987	1.6
123.11716	2.4
125.09627	1.8
128.06183	2.2
129.07021	9.0
131.08568	23.4
133.10133	54.6
135.11690	36.7
137.09560	2.3
143.08574	11.7
145.10139	24.2
147.11700	51.6
149.09598	4.5
149.13243	18.2
150.31400	1.8
157.10168	8.7
159.11716	20.4
161.13254	38.9
163.11115	2.9
163.14816	5.1
165.12804	2.5
171.11732	15.9
173.13271	12.7
175.14825	19.1
177.12776	2.8
179.14331	2.3
185.13304	14.2
187.14857	4.7
189.12753	2.2
199.14816	9.1
203.14314	2.9
213.16356	5.2
217.15958	2.4
226.81915	1.6
231.17542	2.5
231.20979	9.8
241.17201	3.3
241.19518	32.6
259.20596	100.0
277.21750	3.1
323.81558	1.6
333.24228	4.1
347.43500	1.9
351.25299	80.4
352.25156	2.5
369.19406	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
53.26922	1.0
55.01873	2.0
55.05515	20.4
55.26588	1.0
57.03440	28.0
57.07072	3.3
65.03936	2.8
67.05506	46.3
68.05817	1.3
69.07072	19.3
69.83865	2.3
69.84235	5.4
71.04980	3.0
74.81210	1.0
79.05496	44.5
81.03430	1.4
81.07062	58.6
81.20430	1.1
83.04973	2.8
83.08620	15.4
85.06556	5.4
91.04905	1.5
91.05483	39.4
93.07047	68.5
95.04959	4.2
95.08610	39.9
97.06527	4.6
97.10168	3.9
99.08081	4.5
105.07032	41.2
105.07578	0.7
107.08601	38.7
108.98537	1.1
109.06495	5.5
109.10151	13.0
111.08067	3.7
113.09646	1.3
115.24850	1.1
115.99240	1.1
117.07029	9.8
119.08584	33.1
121.10149	33.4
121.11021	1.8
123.08051	2.3
123.11707	5.2
125.09643	2.6
129.06972	4.9
131.08578	17.4
133.10127	34.4
135.08076	2.0
135.10701	1.9
135.11699	32.0
137.09569	2.4
137.13235	1.4
139.11195	1.6
143.08557	4.9
145.10129	15.4
147.11685	31.0
147.12810	2.3
149.09607	2.0
149.13260	20.6
151.11221	2.4
157.10121	5.9
159.11685	17.0
159.67119	1.1
161.13266	21.5
161.99207	1.2
163.11180	3.7
163.14825	4.2
165.12769	4.1
166.06476	1.1
171.11729	8.3
172.12413	1.2
173.13258	8.6
175.11275	1.4
175.14769	9.7
177.12782	1.9
177.16341	1.8
185.13242	8.4
187.14841	8.8
189.12775	1.3
189.16428	1.9
195.09894	1.4
199.14850	3.4
203.14410	1.5
203.17940	2.1
205.15921	4.1
213.16348	2.3
215.17963	1.8
217.19478	1.3
221.15350	1.3
221.19034	3.2
231.21062	4.7
239.20628	1.2
241.19514	21.0
251.28128	1.1
259.20596	51.1
272.47818	1.2
277.21597	19.4
293.21066	1.2
333.24277	9.0
351.21631	4.5
351.25308	100.0
352.25446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49089	0.8
53.03941	4.5
55.01870	2.6
55.05270	1.4
55.05516	15.8
55.99371	0.9
56.96558	1.3
57.03444	6.5
57.07062	4.7
59.50920	1.0
65.03936	1.9
67.05509	37.6
69.03422	1.6
69.07069	14.7
71.04987	3.7
71.08619	4.9
71.53851	1.4
75.04472	2.2
79.05498	59.5
81.03420	2.3
81.07062	45.9
83.04975	3.0
83.08627	8.6
85.06541	2.7
91.04904	1.7
91.05484	54.7
93.07047	79.2
95.04960	4.5
95.08608	36.3
95.09082	0.7
97.06528	3.7
97.10172	3.9
99.08094	6.6
105.07036	61.2
107.04945	2.0
107.08603	44.2
109.06498	2.4
109.10170	13.1
111.08038	1.5
113.09626	2.3
117.07027	13.8
119.08588	54.7
121.06506	1.7
121.10151	32.1
123.08092	1.7
123.11721	4.4
125.09617	2.1
127.32875	1.0
128.06215	2.2
129.06998	9.5
131.08575	19.7
133.10138	49.6
135.08084	2.5
135.10709	1.7
135.11705	32.0
137.09550	2.1
142.07745	1.0
143.08591	10.2
145.10139	23.8
147.08092	1.3
147.11691	44.8
149.09621	3.0
149.13266	21.6
151.11198	3.7
157.10132	10.1
158.66550	1.0
159.11705	16.8
161.09648	3.7
161.12001	2.3
161.13269	36.7
163.11200	4.9
163.14841	7.7
170.10989	1.1
171.11714	14.9
173.13255	10.3
175.11255	1.2
175.14832	17.2
177.12746	2.9
179.14301	2.7
185.13263	15.4
187.14836	3.5
189.12717	2.6
189.16359	2.5
191.14296	1.3
199.14856	7.6
203.14272	2.2
204.80423	1.1
213.16406	5.4
217.15927	1.5
217.19521	4.5
231.17455	3.2
231.21077	9.5
241.19518	32.2
242.19775	1.0
259.20584	100.0
260.20953	2.5
277.21652	8.8
333.24384	3.8
351.17816	3.1
351.21521	5.8
351.25293	82.2
352.25385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01857	1.8
55.05509	12.9
56.96542	2.5
57.03438	8.2
57.07077	2.1
67.05505	45.4
69.07063	14.3
71.04987	3.1
71.05590	4.5
75.04461	2.2
76.89545	1.6
77.03941	2.1
79.05493	62.4
81.07059	49.0
83.08608	10.8
85.06551	2.6
91.05481	53.3
93.07044	86.2
95.04955	5.1
95.08607	33.2
97.06513	2.9
97.10146	3.4
97.96739	1.8
99.08094	5.1
105.04485	2.9
105.07037	55.3
107.08600	56.4
109.06498	2.5
109.10161	15.1
111.08050	2.4
117.07012	11.6
119.08585	46.9
121.10139	40.8
123.08121	3.4
123.11700	3.7
129.07010	7.4
131.08556	19.9
133.10139	45.0
135.11691	37.2
137.09628	2.8
143.08562	9.6
145.10121	20.3
147.11690	41.4
149.09615	4.2
149.13266	23.7
157.10172	8.7
159.11694	19.5
161.13254	36.2
163.11243	2.5
163.14833	9.8
171.11708	15.3
173.13252	12.3
175.11255	2.4
175.14824	14.6
177.12714	1.7
185.13245	14.4
187.14751	2.4
198.38470	1.7
199.14885	9.0
203.14368	2.3
213.16434	4.2
217.16060	2.0
217.19594	2.3
231.17464	4.1
231.21103	9.5
241.19522	32.9
254.70445	1.6
259.20578	100.0
277.21637	16.4
280.22290	1.6
333.17343	4.6
333.24194	10.9
343.53775	1.7
351.18869	9.7
351.25266	79.3
369.19366	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.4
55.01870	7.4
55.05307	4.3
55.05521	42.1
56.96562	8.5
57.03442	26.5
57.07062	5.9
67.05511	90.1
69.03415	5.5
69.07068	28.0
71.04980	6.7
71.08643	35.5
71.36481	5.2
79.05495	57.1
81.03436	11.0
81.07066	87.1
83.04987	7.3
83.08631	19.5
85.06524	9.0
89.69415	3.8
91.05492	48.5
93.07046	69.6
95.04974	17.3
95.08613	64.1
97.02911	4.4
97.06527	14.7
97.10167	11.0
98.97580	6.2
99.08099	29.0
105.07031	49.3
107.04984	7.0
107.08606	47.3
109.06546	5.1
109.10154	22.4
111.08070	7.7
117.07012	12.5
119.08611	31.4
121.10140	28.9
123.11726	7.8
125.09649	9.1
129.07025	5.1
131.08571	13.8
133.10161	34.6
135.08107	4.7
135.11707	34.2
137.09712	5.2
143.08623	8.2
145.10136	20.4
147.11693	28.0
149.02367	15.4
149.13240	20.4
150.52547	4.0
151.11221	23.3
157.10181	5.7
159.11720	11.2
161.09613	4.2
161.13283	25.2
161.45728	3.7
162.74599	3.9
163.11198	13.8
165.12804	3.9
171.11763	13.8
173.13327	6.3
175.11263	3.8
175.14850	13.5
177.12903	4.4
179.14342	14.4
179.37407	4.6
181.12236	4.5
185.13295	11.3
187.14787	4.1
193.05034	16.4
199.14777	4.9
220.97675	4.5
231.21184	5.4
241.19502	13.5
243.03400	3.9
259.20612	40.1
275.19925	5.5
277.21704	49.4
298.60226	4.0
333.24106	5.9
351.17560	9.2
351.21414	46.3
351.25284	100.0
352.24936	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07374	1.6
52.16453	1.4
53.03938	6.7
55.01858	3.4
55.05512	20.5
56.96563	3.3
57.03444	9.4
57.07077	3.6
58.39870	1.4
65.03386	1.7
67.05507	57.0
69.03438	1.8
69.07069	19.2
70.54333	2.0
70.54662	3.0
71.04980	4.4
71.08606	3.3
79.05498	70.3
81.03407	2.1
81.07060	63.2
83.04993	3.4
83.08626	10.9
85.02911	1.8
85.06535	4.7
91.04910	2.1
91.05486	52.7
93.07050	89.5
95.04965	5.7
95.08615	40.1
97.02872	1.8
97.06525	5.4
97.10183	4.1
99.08098	4.0
105.04505	3.8
105.07036	59.0
106.61278	1.6
107.08598	52.9
109.06506	2.9
109.10154	15.7
113.09654	2.8
115.05460	1.9
117.07005	13.0
119.08590	51.4
121.06468	2.9
121.09337	2.2
121.10152	40.2
123.08107	2.6
123.11678	4.1
123.83523	1.6
125.09633	2.9
129.06987	9.2
131.08565	19.7
133.10136	47.5
135.08105	2.8
135.11694	45.5
137.09647	1.8
139.11240	2.1
143.08554	10.7
145.10138	23.4
147.11691	48.5
149.09645	4.3
149.13277	31.1
151.11145	2.7
157.10141	10.6
159.11703	20.6
161.09595	3.9
161.13264	35.8
163.11212	4.7
163.14821	9.5
171.11691	13.8
173.13280	12.6
175.11218	4.3
175.14839	15.8
177.12784	2.4
177.16441	1.9
179.14354	3.2
185.13271	13.1
187.14856	3.1
189.12759	3.6
189.16418	2.1
199.14822	7.8
201.16364	2.1
203.14380	1.7
213.16389	6.5
215.17955	3.2
217.15884	1.6
217.19511	6.2
231.17493	3.0
231.21066	10.4
235.17012	2.1
241.19545	39.8
259.20599	100.0
273.09937	2.7
277.21603	20.0
333.24265	13.0
351.21628	5.4
351.25308	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
55.05515	21.7
56.96567	36.6
57.03443	10.5
57.07067	4.3
65.03935	6.0
67.05505	55.9
69.07070	24.1
69.20010	51.6
71.08614	8.5
71.95254	5.6
75.89957	3.9
79.05139	6.0
79.05502	60.7
81.07063	74.0
83.04984	4.9
83.08616	7.8
89.06047	5.2
91.05486	54.6
93.07055	86.8
95.04950	14.9
95.08622	47.4
97.06523	5.3
97.10138	6.7
99.08083	13.6
105.07023	59.8
107.08592	45.4
109.06510	14.2
109.10140	17.0
117.07037	12.4
119.08598	48.8
121.10140	39.0
122.07330	4.2
123.08065	4.2
123.11691	8.2
129.07019	8.7
131.07701	4.6
131.08574	21.6
133.10133	46.8
135.08086	7.2
135.11728	31.1
140.63042	4.0
143.08534	10.7
145.10144	27.3
147.11696	42.9
149.13258	14.7
157.10168	12.8
159.11687	20.9
161.13306	29.4
162.13660	5.1
163.14830	5.0
165.12733	6.7
166.91847	4.3
171.03273	6.8
171.11737	16.8
173.13242	14.4
175.14789	12.0
179.14258	9.2
185.13223	10.1
189.04413	11.0
199.06458	10.1
211.06425	6.6
213.08022	23.2
213.16338	8.9
217.07478	9.3
229.07507	47.6
231.08971	22.9
241.19475	31.4
243.09070	7.3
247.08615	24.3
252.09033	4.9
259.20615	87.4
261.22101	4.5
277.21588	13.0
289.21515	12.5
307.35611	4.6
310.14130	7.7
333.17413	7.2
333.24173	13.7
333.92459	5.1
351.18155	38.3
351.21872	9.7
351.25342	100.0
369.19617	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2016
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.37445	2.5
55.01880	2.7
55.05505	5.1
67.05491	11.2
69.03423	4.4
69.07073	20.7
71.04980	9.9
71.16335	4.3
71.16668	4.6
79.05495	10.1
79.25798	2.9
81.07065	43.5
85.02895	10.5
85.06520	4.5
91.05471	7.0
93.07041	27.0
95.04937	3.1
95.08598	17.7
97.06506	6.8
98.20762	2.8
98.97569	3.7
105.07014	4.7
107.08604	31.5
109.02852	3.0
109.06528	2.6
109.10168	36.6
111.08113	2.9
119.08598	3.8
121.10155	6.5
133.10124	4.7
135.11702	100.0
137.13167	4.0
147.04359	3.6
153.12762	97.6
171.13808	59.0
189.14825	6.2
231.24759	3.3
297.20370	6.2
351.14310	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	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.95339	0.3
55.05502	0.4
56.96548	0.5
57.07062	0.3
57.16246	0.3
59.23776	0.3
67.05495	0.6
69.03436	0.6
69.07043	0.4
70.61346	0.3
70.61678	0.8
72.34676	0.3
77.00880	0.5
79.05518	0.7
81.03403	1.4
81.07043	1.2
83.04977	0.3
85.02895	0.4
91.05466	1.4
93.07032	1.3
95.04970	0.3
95.08603	0.8
97.02868	0.4
105.03330	0.3
105.07035	4.6
106.11602	0.3
107.08579	1.0
109.02892	0.9
109.06508	0.4
109.10137	0.4
111.08029	0.4
116.48917	0.3
119.04913	0.4
119.08595	0.9
121.10126	0.6
123.08102	0.4
127.03925	1.1
133.06531	0.4
133.10127	3.4
143.08589	0.4
145.10147	0.3
147.04436	0.7
147.11676	0.4
159.11780	0.3
161.09628	2.7
161.13255	0.5
163.11192	0.7
173.09698	0.3
180.80751	0.3
189.09169	1.1
195.09909	0.3
201.68147	0.3
207.10208	0.4
213.09724	0.4
231.10625	0.4
253.12968	0.6
271.13861	0.5
284.90747	0.3
333.19498	1.1
351.21417	100.0
352.21518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08485	2.1
53.03935	5.0
54.79137	1.9
55.01870	4.5
55.05513	27.2
56.96555	8.7
57.03437	5.5
59.04996	3.2
65.49600	1.8
67.05499	6.6
67.39170	2.0
69.03079	3.7
69.03430	38.4
69.07058	3.9
70.06594	3.1
71.01324	2.9
71.04990	32.8
71.54361	2.4
73.02892	3.9
73.06556	61.3
77.57847	2.0
78.63947	2.0
79.05474	6.4
79.94798	2.0
81.03413	17.4
81.07043	8.7
82.94571	2.2
83.04991	5.5
84.08120	2.3
84.96021	3.0
85.02910	55.0
85.06543	5.0
86.09699	3.5
87.04440	3.8
89.03933	2.1
89.06036	100.0
91.05456	7.8
93.07042	4.6
95.04973	2.9
95.08620	4.8
96.35567	2.1
97.02296	3.3
97.02898	56.1
97.06516	6.0
98.97586	17.9
99.04463	18.5
101.02388	2.5
101.06016	49.2
103.03931	5.0
103.05430	6.2
105.07038	16.1
107.04929	6.3
107.08568	5.8
109.02882	9.9
109.06541	3.2
109.10199	3.3
110.55569	2.0
110.97575	11.4
111.04431	7.7
115.05434	5.2
116.98611	6.0
119.08554	2.6
121.06522	2.7
123.04454	11.0
127.03920	28.1
127.07546	2.0
128.07040	2.5
128.98576	8.0
129.06993	2.6
133.06534	12.9
135.11670	4.7
137.05956	3.4
139.03897	98.9
139.11232	2.8
140.04239	3.4
141.09111	3.3
145.04948	9.5
145.06230	2.2
146.99670	3.9
147.04396	8.4
147.08049	3.3
153.05446	4.3
153.09099	4.7
153.12726	6.1
155.10657	4.0
157.08575	13.1
158.99693	3.4
161.05988	20.3
162.05493	3.8
164.07036	2.8
171.10156	4.4
175.11174	2.8
177.05406	2.9
179.00174	4.7
181.08594	4.6
182.08148	2.7
189.09065	3.3
190.04977	3.9
193.08569	6.7
195.06496	2.2
197.01227	4.2
199.09758	12.4
200.09499	4.2
201.00768	3.3
201.10117	4.4
213.10252	6.2
214.11041	5.2
215.11884	10.9
217.07257	2.9
217.10652	6.8
219.01805	9.9
219.11267	5.3
226.10817	3.4
226.40533	1.9
235.11710	2.8
237.02789	14.3
237.04811	2.2
241.09660	3.3
241.13429	2.7
242.10458	9.2
245.09242	3.4
252.03000	5.7
260.11719	2.4
261.14893	2.4
270.04193	2.1
275.06830	16.9
277.11835	3.0
289.12817	18.9
297.12186	6.7
315.10065	3.9
315.13385	15.5
333.10596	5.4
333.14597	21.5
347.04398	3.8
348.05127	3.3
351.09290	2.8
351.11438	6.1
351.15619	65.7
359.66812	2.1
365.05093	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	351.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.05500	18.6
56.96566	48.6
57.03439	6.9
57.07078	4.3
59.56798	3.7
67.05501	33.8
69.07056	22.8
69.23441	27.3
69.23845	8.6
71.08631	14.4
75.91206	4.2
79.05489	36.4
81.07054	51.9
83.08604	11.3
85.06532	5.8
91.05467	29.3
93.07056	38.8
95.04966	6.7
95.08610	30.1
97.06548	8.0
98.21571	8.4
99.08077	13.4
105.03393	17.3
105.07028	34.1
107.08586	28.1
109.06558	4.2
109.10151	13.5
110.97536	5.9
116.32705	3.9
117.06991	7.7
119.08594	23.4
121.10145	18.6
123.08018	4.7
123.11712	3.7
131.08566	7.4
133.10136	26.3
135.11668	27.5
137.02744	6.5
137.05968	8.2
143.08524	5.1
145.10124	12.9
147.11707	23.5
149.13255	11.5
151.11205	5.3
157.10161	6.2
159.11693	11.1
161.13245	13.6
171.11768	8.6
173.13187	6.6
175.14948	4.9
199.06432	11.1
211.06554	5.1
213.08003	15.1
217.07498	5.9
229.07532	19.4
231.09044	15.7
231.21043	4.4
241.19495	12.2
243.09117	10.8
247.08575	11.6
255.08989	25.2
259.20602	29.2
273.10184	7.5
277.21637	11.5
310.14142	5.0
333.17191	32.8
333.23999	5.9
351.18573	100.0
351.25204	52.1
352.25037	6.5
369.19534	42.1
374.19901	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	351.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01864	0.8
55.05528	0.7
56.96565	0.9
67.05515	0.6
69.03419	1.2
69.69720	2.3
70.06603	0.8
71.04987	1.7
73.02909	0.5
81.03399	0.7
81.07054	1.0
85.02905	2.8
89.06024	1.0
91.05499	0.8
93.07030	0.7
95.08584	0.5
97.02883	1.0
97.06480	0.6
98.20821	0.6
98.97581	2.8
99.04455	0.9
102.80235	0.4
105.03400	0.7
105.07027	0.6
107.04999	0.8
107.08587	0.4
109.02876	0.6
109.10168	0.5
116.98582	1.0
119.08624	0.7
120.08139	0.6
123.04382	0.5
127.03918	1.4
135.11697	0.8
139.03938	0.9
147.04356	0.8
153.05501	0.5
158.38451	0.5
158.99649	0.6
162.05525	0.6
169.05174	0.4
172.07582	1.8
190.08601	1.1
201.03720	0.6
202.03191	0.5
207.07663	0.7
208.06079	1.0
213.10175	0.4
219.01752	0.6
223.09079	2.2
237.02820	0.5
249.06207	0.6
287.10388	0.7
289.50336	0.5
315.09766	0.9
319.12933	0.7
333.05954	0.8
333.10693	2.0
351.06815	10.3
351.10535	100.0
352.10886	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67857	1.0
52.30415	1.1
55.01856	1.2
56.96301	2.0
56.96565	25.7
59.52705	0.9
61.02917	2.6
61.30886	1.1
62.69415	1.0
69.03435	6.5
70.83612	3.0
70.98113	7.3
71.95227	1.4
72.02003	1.1
72.74296	1.0
73.02907	2.2
74.97610	1.4
81.03410	1.5
84.96037	8.9
85.02909	11.9
88.99149	3.4
96.14508	1.0
97.02889	5.2
97.96815	1.2
98.97589	96.3
99.04472	1.0
100.97182	1.3
100.99142	3.4
101.00854	2.0
103.00620	1.4
105.04110	1.0
107.04924	2.0
109.02873	2.0
110.96843	2.4
110.97577	41.8
112.99132	9.0
115.02437	1.1
116.97826	2.0
116.98619	20.9
119.00179	1.1
119.01881	2.6
120.99435	1.0
121.01688	1.1
123.05562	2.0
124.99146	5.1
125.75185	1.0
126.97081	1.4
127.00667	4.0
127.03932	2.6
128.98615	29.8
129.02290	2.4
131.00169	5.3
131.01845	1.9
133.01678	2.3
134.99683	2.6
137.05931	1.6
140.98611	4.9
143.00163	10.4
143.01918	1.5
144.98071	3.6
145.01657	3.9
145.03406	2.1
145.04993	1.3
146.99657	16.4
147.03308	10.4
147.05037	3.5
149.01149	2.1
152.98589	5.9
154.03893	1.2
155.01913	2.6
157.03503	1.1
158.99675	21.3
161.01242	6.9
161.02934	1.4
162.99202	2.0
163.02747	2.8
165.00722	2.8
165.04305	4.8
169.01642	1.4
170.99673	14.2
173.01259	1.4
173.02863	2.6
174.99171	1.8
175.02757	1.9
177.00705	12.1
182.99716	1.7
185.01234	5.5
185.02670	1.3
186.99052	1.1
187.02744	1.9
189.00690	8.7
189.04323	6.8
189.06073	3.3
193.00294	1.5
197.02991	1.1
201.00731	16.0
201.04314	1.6
201.06018	2.1
203.07626	1.6
207.01830	2.5
207.05289	1.5
213.00713	2.0
217.00165	2.4
219.01781	100.0
221.05096	2.5
223.04800	1.2
225.00743	2.8
231.01735	2.6
231.05362	4.3
233.03368	2.7
237.02826	83.8
238.03291	1.7
242.03435	2.1
243.01736	2.1
244.04385	3.4
249.02849	2.5
249.06154	1.4
251.04271	2.3
255.03876	2.9
260.57703	1.0
261.02835	1.9
261.06219	2.7
270.06644	1.6
277.02237	1.5
279.04001	1.2
291.00626	1.9
291.03857	35.5
291.07520	44.8
309.04877	61.6
309.08557	54.0
332.06699	1.6
351.05814	13.7
351.09637	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01878	0.7
56.96565	11.2
57.03437	1.2
61.02941	0.9
65.11228	0.6
65.97413	0.4
69.03433	3.1
69.70811	2.9
71.95271	0.8
73.02927	1.1
81.03422	1.2
84.96045	3.6
85.02910	6.5
93.81201	0.6
97.02895	2.7
98.97589	100.0
103.00653	0.5
106.25623	0.5
107.04962	1.4
109.02906	0.7
110.97581	9.8
112.99139	2.1
116.98626	22.3
119.01869	0.9
121.14269	0.5
122.01220	0.5
123.05482	0.7
124.99137	1.3
126.97015	0.7
127.00694	1.1
127.03927	2.1
128.32750	0.6
128.98618	5.9
129.02243	1.3
131.00157	1.5
134.99663	2.4
140.00253	0.8
140.98563	1.3
143.00169	3.7
144.98088	1.3
145.01712	1.9
145.04964	1.1
146.99672	1.8
147.03304	3.1
152.98633	2.0
158.99664	35.6
161.01260	1.7
161.02945	0.8
162.05560	1.2
162.99141	0.8
163.02742	1.2
165.04332	1.4
170.99686	3.4
171.03282	5.4
175.02748	1.1
177.00722	18.0
182.99605	0.9
187.02864	0.9
188.54810	0.9
189.00784	2.8
189.02612	1.0
189.04309	7.2
190.04968	1.0
191.03830	1.0
193.03830	1.0
195.01826	0.8
200.02576	0.6
200.04462	1.3
201.00749	4.0
201.04463	0.8
205.05466	0.8
207.05374	1.3
219.01782	13.6
231.01677	0.9
231.05412	1.9
237.02849	12.3
249.06349	0.6
261.02805	1.5
291.07501	20.2
309.08560	55.4
332.10220	1.7
351.09650	37.2
352.09720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01867	2.2
55.05509	9.3
56.96564	2.0
57.03438	5.8
57.07077	9.9
59.54099	1.9
61.02919	7.8
61.88807	2.0
67.05492	7.8
69.03431	15.4
69.07072	50.2
69.25718	7.3
69.26139	12.3
71.04996	3.8
79.05492	23.7
81.03423	7.9
81.07059	8.6
83.08640	13.5
85.02908	76.0
91.03954	3.0
91.05500	14.5
93.07045	57.5
95.08623	16.3
97.02882	17.9
97.06515	10.0
98.20720	3.7
99.04450	5.0
99.19096	2.3
105.07033	6.1
107.08599	55.7
109.02889	6.7
109.10137	10.0
125.13261	6.9
127.03920	16.6
127.54818	1.9
133.10158	6.1
135.11702	100.0
145.04982	17.3
147.04410	4.2
153.12740	16.4
153.88361	2.1
163.06084	4.0
198.10953	2.2
254.52235	2.1
355.35153	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49951	2.0
55.67804	1.5
59.07109	1.6
68.67065	1.8
71.22520	2.8
78.09229	1.6
98.68591	1.8
98.97576	4.5
121.71859	1.8
135.06084	1.8
193.98262	1.7
201.00665	2.5
201.79227	2.1
213.42418	1.7
213.44405	2.0
330.25223	2.3
333.63678	1.8
351.06918	100.0
351.11954	13.0
371.97964	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92040	1.9
56.96562	7.7
57.03425	2.9
61.02925	3.9
69.03427	3.7
70.89713	3.9
72.80994	1.7
81.03422	3.1
82.99834	2.4
84.99593	2.4
85.02916	10.6
97.02912	5.8
98.97593	17.2
100.01091	1.7
101.00909	9.0
103.00648	15.2
108.45567	1.6
109.02938	1.9
110.97555	2.2
115.00614	7.5
115.02412	3.8
116.98590	3.2
119.01945	15.2
119.68594	1.8
120.02013	2.9
121.01675	25.7
121.02464	2.6
127.03880	5.8
128.98599	4.3
131.01891	6.3
132.02017	1.5
133.01639	17.1
133.03526	3.8
134.99657	2.3
135.03235	3.7
139.02609	5.1
143.00200	2.9
143.01912	4.6
145.01640	7.9
145.03462	5.5
146.99626	3.2
147.03159	2.2
147.51457	1.8
155.01907	3.5
157.01662	4.7
157.03474	5.4
158.99611	1.9
161.01204	3.2
161.02963	3.2
163.02739	6.6
170.99525	14.4
171.05083	2.8
173.02939	4.5
174.99133	4.2
175.02748	5.5
175.04440	2.5
177.00781	2.2
177.02403	2.3
179.02170	2.1
182.99562	4.0
187.00938	3.8
187.02579	3.8
189.00659	14.5
189.05971	2.3
190.71104	1.9
196.99214	1.9
198.99101	7.6
201.00673	9.1
204.80670	1.8
214.50981	1.6
215.00410	3.7
217.00157	28.4
219.01770	3.9
221.05092	3.8
223.06685	4.4
229.00012	2.1
230.03709	1.9
231.01701	16.2
231.03583	1.7
233.03343	4.2
237.02736	1.8
241.05980	3.3
243.01770	6.3
247.03026	4.1
249.02763	33.4
249.08330	3.1
261.02744	11.5
279.04053	2.0
281.37872	1.8
291.03983	7.8
291.09357	2.3
319.05038	2.9
351.06854	100.0
351.12418	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
58.02766	1.1
59.04997	2.9
61.02925	2.0
67.05495	2.6
69.03433	3.8
69.07063	2.2
69.66616	5.9
77.19699	1.0
79.05492	5.5
81.03442	1.2
81.07046	2.3
85.02442	1.3
85.02917	16.9
91.05478	5.0
93.07052	54.3
95.04953	1.2
95.08612	31.9
97.02894	3.7
97.06534	4.2
98.20790	2.1
100.78453	1.2
105.07020	1.5
107.08605	49.0
109.02986	1.2
109.10155	2.7
113.89916	1.2
123.99610	1.1
127.03925	4.1
133.10149	1.6
135.11705	100.0
145.04950	6.8
153.12769	31.5
163.06064	3.2
169.47525	1.0
171.13814	9.1
318.15936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56913	1.6
53.03938	2.3
55.05510	2.3
60.87203	1.6
61.02938	2.1
67.05505	3.8
69.03445	4.2
69.07066	3.6
70.07756	4.4
70.08150	4.1
79.05494	18.9
81.07058	5.5
85.02903	33.0
86.09715	2.0
91.05475	6.7
93.07043	41.7
95.08588	3.5
97.02893	6.6
97.06557	3.9
101.97581	1.9
105.06973	1.8
107.08589	28.6
109.02903	2.2
109.10144	2.9
116.62127	1.7
118.97360	2.0
127.03869	9.2
131.87755	1.7
135.11699	100.0
145.04955	13.0
151.12320	2.6
153.12758	11.0
163.06032	3.9
193.29713	1.7
216.81337	1.9
293.43478	1.7
306.45993	2.1
351.14108	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75949	1.2
55.05511	1.6
68.79888	1.6
69.07045	1.8
70.70564	3.9
71.04993	11.0
73.06554	4.0
75.69296	1.4
79.91705	1.5
81.07073	12.6
85.02900	1.8
90.01128	1.5
93.07054	9.8
94.40030	1.4
95.08590	1.8
107.08597	5.6
135.11696	18.8
153.12755	100.0
164.42853	1.4
188.44165	1.4
357.13315	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05505	5.8
59.04989	5.6
61.02934	4.6
63.55433	2.2
67.05495	10.1
67.26101	2.2
69.03417	6.8
69.07074	21.4
69.41011	2.5
70.84160	5.6
70.84499	4.9
71.04986	5.0
73.02893	2.6
79.05489	8.1
81.03420	5.6
81.07056	16.0
83.04974	8.1
83.08596	3.3
85.02911	39.0
85.06541	5.4
90.59240	2.3
91.03957	3.6
91.05477	11.9
93.07049	100.0
95.08633	17.0
97.02869	10.0
97.06526	10.5
105.07025	8.6
106.25537	2.5
107.08597	62.0
109.02900	3.1
109.10171	27.7
110.02623	2.5
119.08559	4.6
127.03895	9.1
133.10181	3.2
135.11696	98.1
137.13232	6.7
145.04955	5.9
147.04448	3.7
153.12758	38.8
237.74922	2.6
244.22775	4.6
350.29083	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01884	1.7
55.05518	11.5
57.03437	2.6
57.07076	1.6
58.48199	0.8
59.05002	3.7
61.02934	5.4
65.03935	1.0
67.05515	7.3
69.03434	10.7
69.07078	36.7
70.85373	1.1
70.85688	1.1
71.04995	4.6
73.02917	1.7
75.51591	0.9
79.05499	9.2
81.03432	5.0
81.07069	17.4
83.04986	2.7
83.08629	1.9
85.02914	47.8
85.06544	3.6
87.04465	1.7
91.03953	3.5
91.05488	13.3
93.07056	100.0
95.04984	1.9
95.08058	1.7
95.08620	19.1
95.89719	0.8
97.02902	13.3
97.06542	10.2
99.04456	3.0
105.07052	5.6
107.08607	64.5
108.08946	1.0
109.02895	4.5
109.06569	1.5
109.10162	17.6
118.28414	0.9
119.06074	1.1
119.08592	3.8
123.11726	2.2
127.03947	9.6
127.40366	0.8
130.66966	0.7
132.20142	0.8
133.10123	1.3
135.11708	98.8
137.13266	6.8
137.82108	0.8
145.04968	14.0
153.12767	35.2
163.06082	3.1
241.08644	5.5
258.46140	0.8
269.08026	1.0
287.09177	1.3
316.15466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05517	5.1
57.03436	1.2
67.05503	10.7
69.03432	2.5
70.06573	1.4
70.78558	1.5
70.97968	0.8
71.04992	3.9
79.05504	17.0
81.03444	1.5
81.07063	4.4
83.04981	2.7
85.02918	4.3
85.06563	7.6
87.04481	1.4
91.05479	3.2
93.07039	9.2
95.05013	1.6
95.08687	1.0
97.02905	3.7
97.10184	1.2
99.04468	8.9
105.07047	1.2
107.04953	6.3
107.08601	30.8
107.41872	0.9
109.02877	1.1
109.06551	0.9
109.10172	3.2
111.04439	5.6
111.08102	1.2
117.07014	7.1
125.09637	7.8
135.07019	1.0
135.08057	27.9
135.11694	16.5
143.10727	2.8
153.05492	2.7
153.09111	46.4
153.10365	2.3
171.10168	100.0
172.10522	1.5
205.51874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01871	2.3
55.05507	8.0
57.03438	3.8
57.78712	1.2
59.04988	2.0
60.42102	1.2
61.02918	5.5
67.05497	6.1
69.03445	7.1
69.07068	32.0
71.04974	3.3
71.52399	1.6
73.02946	1.4
79.05489	7.0
81.03413	4.3
81.07056	14.1
83.04964	3.8
85.02913	41.3
85.06544	2.1
91.03950	1.8
91.05483	13.1
93.07047	93.9
94.19684	1.6
95.08614	20.5
97.02901	12.5
97.06538	10.9
99.04452	2.3
105.07017	3.9
107.08601	61.5
108.41451	1.4
109.02866	4.2
109.10163	18.3
119.08585	2.6
123.11709	2.7
127.03880	7.5
135.11699	100.0
137.13246	5.2
139.67284	1.4
145.04968	12.1
147.04404	1.5
153.12759	34.9
163.06062	3.4
232.02209	1.2
273.95990	1.3
366.78091	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
53.19086	1.1
55.01860	3.1
55.05516	5.9
57.03427	2.1
61.02906	1.4
65.03934	1.5
67.05505	11.1
67.17894	0.9
68.93898	1.0
69.03432	3.1
69.07061	2.3
70.06584	4.3
70.60909	3.0
71.05002	5.2
79.05495	17.1
81.03432	1.8
81.07053	6.5
82.07400	1.2
83.04970	4.0
85.02915	8.2
85.06524	7.6
86.09704	3.8
87.04476	2.6
91.05481	2.7
93.07041	9.6
95.04958	3.5
95.08577	1.2
97.02887	4.5
97.06511	1.1
98.97599	2.7
99.04469	11.2
107.04954	10.8
107.08598	26.2
109.02866	1.3
109.06515	2.3
109.10155	4.6
111.04442	4.0
111.08076	2.8
112.05086	1.2
113.06019	1.7
117.07011	8.0
121.02829	1.3
125.09618	6.1
135.08063	26.9
135.11731	1.0
137.05954	1.8
143.10588	1.1
147.04401	1.1
153.05521	9.0
153.09111	48.0
158.50075	1.0
170.12639	1.5
171.10168	100.0
185.04256	1.8
186.04579	1.0
298.76221	1.0
333.10880	2.4
350.09311	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	350.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.09720	0.6
53.83373	0.6
55.01852	1.1
56.33963	0.8
56.96557	1.6
57.03436	1.1
58.76191	0.6
61.02914	2.0
65.03942	4.9
67.05511	1.2
68.86305	0.6
68.99805	1.0
69.03445	4.1
70.08929	0.8
71.05010	0.7
71.38766	0.9
81.03413	2.1
83.04968	3.1
85.02905	13.1
91.04041	0.8
93.03400	4.5
97.02919	3.7
99.04465	1.1
109.02883	2.0
111.04447	27.1
121.02952	0.8
121.03997	2.0
127.03941	2.4
139.03909	69.9
145.04953	3.2
156.04175	2.1
163.03992	0.9
170.11748	1.3
171.06538	100.0
180.08679	2.8
188.12880	1.3
350.15195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05515	5.1
57.07068	1.5
67.05500	5.1
69.06728	0.8
69.07072	9.9
70.83189	1.5
71.05009	1.1
71.08619	0.7
79.05504	3.7
81.07065	8.6
83.04964	1.3
83.08617	3.8
91.05487	2.1
93.07046	3.8
95.08617	6.6
97.06528	1.8
97.10150	1.4
101.06068	0.6
105.07020	3.2
107.08595	5.9
109.05789	0.9
109.06525	9.4
109.10168	3.4
111.08073	1.6
117.07034	0.8
119.08601	3.2
121.10139	3.3
123.08073	61.1
123.11689	1.2
133.10133	2.4
135.08054	4.6
135.11694	1.7
137.09619	3.8
145.10141	1.2
147.11697	2.2
149.09637	1.2
149.13261	1.8
151.11195	0.6
153.12738	0.6
159.11687	1.2
161.13258	1.2
163.11176	1.0
165.12761	1.1
167.14282	1.0
173.13249	0.8
177.12837	0.7
179.14313	6.0
215.17862	0.5
221.74805	0.6
233.18941	0.8
275.20087	2.3
284.67377	0.6
289.25201	0.8
293.21109	15.8
307.22711	0.8
331.26425	3.1
349.27386	100.0
350.27563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.22350	0.3
51.81136	0.5
52.13664	0.4
53.03936	0.8
53.24350	0.5
55.01859	0.5
55.05513	4.7
57.07084	1.3
57.40118	0.5
61.20180	0.4
63.83353	0.4
67.05516	4.4
69.03434	0.6
69.07071	8.8
70.79644	0.7
71.04988	1.3
71.08612	0.4
79.05497	2.4
80.90557	0.4
81.07056	6.9
83.04967	0.8
83.08623	2.8
85.06538	0.6
85.30973	0.4
91.05466	1.2
93.07054	4.0
95.04982	0.7
95.08610	6.7
97.06542	1.6
97.10174	0.8
97.57944	0.4
100.48282	0.4
105.07011	2.1
107.08595	5.2
109.06517	10.4
109.10168	3.3
111.08078	2.2
119.08601	3.4
121.06487	0.6
121.10146	3.3
122.07283	0.6
123.08073	56.1
123.11719	1.9
125.09691	0.5
131.08577	0.7
133.10153	2.7
135.08058	4.7
135.11710	1.7
137.09630	3.6
145.10159	1.2
147.11736	1.6
149.09660	1.4
149.13261	1.4
159.11758	1.1
161.13322	0.9
163.11179	0.7
165.12730	0.8
167.14305	0.6
179.14319	13.8
219.41455	0.5
233.19034	0.9
247.20401	0.4
275.20016	2.0
289.24854	0.5
293.21133	14.7
303.26868	0.5
331.26245	3.0
349.27386	100.0
350.27802	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.79827	0.7
55.05506	1.6
57.07085	5.7
59.76605	0.7
61.67537	0.7
67.05498	3.0
69.07067	4.1
71.08624	2.0
79.05480	3.1
81.07062	6.0
85.06541	1.8
91.05466	2.3
93.07048	3.5
95.08603	5.3
97.06511	0.8
99.08098	1.8
105.07021	2.3
107.08578	2.1
109.06526	17.2
109.10143	2.3
119.08572	2.1
121.10161	2.0
122.07317	1.7
123.08081	22.4
123.08961	1.5
131.08667	0.9
133.10141	1.8
135.08041	2.9
135.11700	0.8
137.13243	1.1
161.13188	0.8
165.12778	1.4
179.14323	100.0
186.59550	0.7
191.70755	0.9
193.15909	2.3
275.20068	1.6
331.26254	1.8
349.27408	89.4
350.27817	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01876	10.8
55.05512	46.7
56.96555	2.0
57.03439	14.4
57.07060	1.8
65.03921	2.4
67.05504	51.7
69.03414	3.8
69.07068	18.6
71.04984	4.7
73.02934	1.5
79.05493	100.0
79.97557	1.2
81.03397	4.3
81.07057	45.3
83.04986	25.5
83.08624	11.5
85.06528	3.6
85.33366	1.1
91.04911	1.6
91.05482	41.1
93.07044	59.3
95.01316	2.8
95.04980	11.7
95.08606	24.2
97.06532	7.3
97.10173	12.3
98.21683	1.2
105.03364	3.4
105.04500	1.7
105.07030	41.3
107.04955	30.7
107.08596	61.8
109.06512	4.9
109.10155	22.9
111.08064	4.1
115.05484	1.9
117.07022	15.8
119.08583	29.6
121.06491	3.6
121.10141	20.6
123.08063	5.5
123.11710	5.6
125.09624	15.4
129.06999	2.6
131.08572	17.3
133.10132	25.3
135.08066	9.1
135.11693	4.4
137.09573	1.7
143.08551	3.2
145.10115	14.0
147.11710	14.3
149.08411	2.6
149.09622	48.2
149.13213	4.0
151.11189	1.5
155.08524	2.1
155.10620	2.6
157.10110	3.2
159.11700	8.6
161.09587	1.4
161.13354	6.3
163.11206	3.1
163.14818	3.5
169.10120	3.0
169.12225	4.3
171.10165	1.9
171.11703	3.1
173.11748	4.2
173.13252	7.2
177.12654	3.1
179.14351	4.4
181.12218	2.2
183.11682	1.5
187.11124	3.1
187.14876	2.2
189.11212	9.4
189.12674	1.9
191.14305	3.8
197.13329	2.5
205.12192	2.2
209.15411	8.1
215.17891	2.0
229.15710	2.0
229.19504	5.1
233.15579	2.3
239.17894	2.5
247.20593	3.1
257.18991	13.5
273.18655	1.6
275.20071	52.9
285.10092	1.9
322.86792	1.3
349.19879	5.3
349.23691	62.0
350.23239	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.02353	1.2
52.47489	1.2
53.03952	8.5
55.01872	11.4
55.05513	54.1
56.96557	2.9
57.03437	18.0
57.07069	1.5
59.04995	2.3
65.03944	2.9
67.05508	61.7
68.98664	1.1
69.03419	4.4
69.07066	21.5
69.76181	4.0
69.76591	2.6
71.04980	4.8
79.05495	100.0
81.03403	6.0
81.07056	49.8
83.04978	23.6
83.08621	13.0
85.06532	3.7
91.05485	49.3
93.07047	65.4
95.01309	2.2
95.04978	12.7
95.08607	28.9
97.06522	8.2
97.10167	15.3
98.97581	1.6
105.03364	3.3
105.04512	1.9
105.07038	44.5
107.04963	34.1
107.05702	1.7
107.08601	60.2
109.06500	6.7
109.10160	26.0
111.08053	6.0
115.05445	2.3
117.07029	16.2
119.06060	2.4
119.08591	33.9
121.06483	5.3
121.09315	2.4
121.10144	26.3
123.08064	5.6
123.11681	5.3
125.09624	17.7
125.28246	1.3
129.06993	5.1
131.08574	19.5
133.10133	30.7
135.08081	8.6
135.11696	11.6
137.09706	3.2
139.07513	2.0
143.08577	2.7
145.06477	2.2
145.10123	16.7
147.08028	2.0
147.11705	19.1
149.09630	54.6
149.13240	2.4
151.11247	2.1
153.09105	4.9
153.12692	1.3
155.10625	1.7
157.10129	3.3
158.90463	1.2
159.11682	11.5
161.13280	6.2
163.11154	5.1
163.14841	4.8
165.12755	1.5
169.10083	4.0
169.12251	6.1
171.10210	1.6
171.11681	3.7
173.11710	5.0
173.13266	7.6
177.12781	2.8
179.14307	5.4
181.12122	1.6
183.11696	3.3
185.13310	2.0
187.11142	2.4
187.13248	1.6
189.11247	9.4
191.14275	3.9
197.13225	2.0
208.13611	1.4
209.15334	5.9
215.18027	1.8
223.13339	1.9
229.19470	5.3
239.17853	4.3
247.20526	3.9
257.19022	14.4
267.09070	1.9
273.18518	2.3
275.20084	51.0
291.19464	4.7
299.89752	1.4
347.15302	1.8
349.19791	10.9
349.23703	64.5
350.23349	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50913	0.4
53.03938	0.5
55.01859	0.7
55.05499	1.4
56.96558	1.3
57.03435	0.9
57.07080	0.5
61.02922	0.5
65.34849	0.5
67.05509	2.9
69.03423	0.6
69.07065	1.7
69.81167	0.4
70.07796	1.1
70.08192	0.9
71.05003	0.5
79.05485	2.7
81.03423	1.0
81.07059	3.7
83.04996	0.7
83.08623	1.0
85.02886	0.7
90.79166	0.5
91.05479	3.5
93.07043	2.3
95.04960	1.0
95.08596	2.1
97.02885	0.5
97.06538	1.1
98.21449	0.5
98.97574	1.4
100.44871	0.4
102.38435	0.5
105.07037	3.7
107.04952	0.7
107.08591	1.8
109.06508	0.8
109.10159	1.4
116.98638	0.6
117.07005	1.1
119.08570	1.8
121.10134	1.6
127.03892	0.5
131.08572	1.6
133.10136	2.1
135.08051	0.6
135.11757	0.9
145.10149	2.1
147.11685	1.6
157.10161	0.6
159.11679	0.9
163.11205	0.8
171.11792	0.5
173.13264	0.5
197.13083	0.7
237.02858	0.5
257.18973	1.1
269.12552	0.8
275.20071	2.8
280.14151	0.7
331.18484	0.8
349.19876	100.0
349.23438	4.9
350.20200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
55.01858	9.3
55.02094	2.2
55.05277	2.1
55.05515	27.3
55.25260	1.7
56.96305	3.3
56.96565	54.7
57.03435	11.6
60.04464	2.2
65.03937	2.6
67.05178	3.4
67.05504	46.2
69.03403	2.7
69.07066	20.4
69.44234	5.6
69.44651	12.6
71.04970	5.0
71.95255	6.5
72.96022	5.7
79.05077	3.2
79.05499	55.4
81.03397	8.5
81.06585	3.3
81.07053	45.5
83.04984	12.3
83.08613	11.4
84.96035	2.6
85.02903	2.6
91.05485	37.9
93.06489	3.0
93.07046	45.2
95.01328	3.7
95.04961	8.0
95.08610	22.3
97.06502	7.0
97.10144	6.7
98.10954	2.1
98.20781	5.0
98.97559	6.1
105.00151	2.7
105.07033	39.4
105.87746	2.0
107.04952	17.9
107.08598	32.9
109.06473	6.1
109.10160	11.5
110.97598	7.0
111.08067	3.5
115.05452	2.2
117.07030	12.1
119.08589	26.4
121.06494	3.6
121.10151	12.9
122.29958	2.3
123.01160	3.0
123.08075	4.6
123.11652	4.1
123.86483	2.1
125.09602	4.5
128.98595	5.8
131.08591	13.8
133.10141	25.8
135.08008	6.9
135.11681	7.4
137.02739	4.3
143.08540	2.8
145.10153	15.3
146.99643	2.6
147.11742	11.2
149.09608	19.5
149.13303	3.4
153.02194	2.5
155.03836	3.7
157.10222	2.9
159.11708	11.8
161.09612	2.6
161.13225	5.1
163.11209	3.5
165.37936	2.2
167.16928	2.1
169.05345	2.5
171.03326	5.9
171.10225	2.1
173.11719	3.0
173.13216	3.7
179.14296	9.0
181.05325	4.5
183.06789	2.5
185.04781	6.1
187.06352	2.5
187.11012	2.7
195.06926	5.0
199.06412	15.3
201.07986	5.6
209.04874	2.1
211.06424	8.6
213.07983	36.8
215.05954	3.1
215.14279	2.2
217.07449	10.0
225.07903	4.0
229.07474	47.1
229.19507	3.8
231.09070	33.2
236.09514	3.1
239.17867	2.7
243.09099	25.0
247.08536	22.4
252.09081	5.6
257.18954	6.6
261.10098	12.6
267.08929	6.1
269.10495	3.0
275.20044	35.9
285.10123	6.3
290.79089	2.3
296.50876	2.0
297.13626	5.0
331.15717	26.4
349.16898	100.0
349.23557	38.3
349.27557	2.9
367.17984	23.0
372.18384	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01861	4.7
55.05269	0.9
55.05516	12.6
55.23265	0.8
56.96566	63.6
57.00566	0.6
57.03188	1.1
57.03437	14.1
57.07067	2.5
60.88739	0.7
61.02919	1.3
63.33440	0.7
65.03925	1.2
67.05505	28.7
67.09865	0.7
68.05830	0.8
69.03420	2.4
69.06729	1.3
69.07071	18.1
70.10786	3.7
70.98093	1.1
71.04984	2.6
71.94946	0.8
71.95271	9.7
72.96043	4.1
73.02919	0.9
74.97594	1.1
79.05494	24.8
81.03423	3.8
81.07059	36.0
83.04981	9.0
83.08613	5.8
84.96025	2.7
85.02870	1.9
85.06538	1.5
90.32985	0.9
91.03947	0.9
91.04901	1.0
91.05483	24.0
93.07045	30.6
95.04967	9.2
95.08610	22.1
97.02902	2.1
97.06535	4.6
97.10146	3.2
97.96829	2.1
98.97575	3.3
99.04485	0.8
103.05498	0.9
105.00151	2.8
105.07030	25.4
107.04286	1.3
107.04958	11.2
107.08593	17.0
109.06528	13.3
109.10171	8.6
110.97577	6.4
111.08083	2.9
115.00668	1.7
116.98631	1.8
117.07024	8.2
119.01727	1.2
119.07806	1.1
119.08589	15.0
121.06509	14.7
121.10123	9.4
123.01211	1.0
123.08061	6.3
123.11712	3.0
125.09650	1.6
127.00699	1.3
128.98608	5.9
129.07018	4.1
131.08575	17.5
133.01810	1.4
133.06462	3.3
133.10132	18.8
135.08044	4.9
135.11722	5.6
137.02739	3.0
137.09618	2.1
139.00630	1.5
139.11201	0.8
141.06982	1.8
143.00140	1.5
143.08546	3.0
145.06474	2.5
145.10124	13.6
146.99667	2.1
147.03229	0.9
147.08026	4.4
147.11697	11.8
149.02704	0.9
149.09656	6.3
149.13268	3.6
151.11223	4.6
152.00146	0.8
153.02113	1.3
155.03818	3.1
155.08563	1.8
157.01694	1.4
157.10164	3.8
159.08028	1.5
159.11670	8.5
161.01236	0.9
161.09589	3.4
161.13284	4.0
163.11177	6.0
165.02191	1.0
165.05962	0.9
165.12750	1.5
166.25763	0.9
167.03763	1.9
169.01726	2.0
169.05325	2.1
169.10101	2.2
171.03296	3.1
171.11668	2.7
173.04861	3.2
173.09608	3.8
173.13229	6.6
175.02850	1.0
175.11177	2.7
177.12737	2.9
179.14380	1.4
181.05379	3.4
183.03252	1.3
183.06970	4.0
183.11716	3.5
184.00479	0.9
185.04898	4.5
185.08533	1.4
187.02805	1.0
187.06374	2.4
187.11127	2.5
187.14862	1.2
189.04340	2.9
189.12639	1.1
191.14296	2.9
193.05348	2.1
194.02567	0.9
194.04807	0.9
195.06918	4.4
197.04990	1.1
197.13300	1.7
199.06422	19.9
201.08008	7.9
201.12740	3.4
203.05905	5.1
205.07471	1.2
207.13783	3.4
211.06390	10.8
213.07977	45.0
215.06018	1.4
215.09764	1.0
215.14346	1.4
215.17973	2.2
217.07503	13.9
219.08986	2.4
219.13809	3.8
223.02849	1.2
223.06421	1.4
224.09631	1.0
225.07938	5.5
227.09499	2.6
229.07489	79.1
229.19530	2.7
231.09045	37.0
231.17407	1.7
233.15370	1.3
236.09557	7.5
239.05882	0.8
239.18004	4.3
241.07475	1.7
241.11205	1.1
243.09015	24.6
245.10724	1.0
247.08551	38.5
247.20592	4.2
252.09097	11.5
254.10637	3.2
255.08960	2.0
257.19006	14.0
261.10092	10.3
266.08047	0.8
266.10632	3.6
267.09076	6.9
268.09363	2.1
269.10617	3.6
269.17316	0.9
270.10199	3.3
275.20071	100.0
276.20456	1.8
279.12546	0.9
280.09909	1.1
285.10043	6.9
286.10431	3.5
287.11597	1.4
293.14316	0.9
293.21146	9.0
307.15747	0.9
308.12082	1.3
313.14551	1.6
321.17184	1.1
331.15808	14.6
331.19101	0.5
331.22620	1.0
349.16861	96.9
349.23566	48.7
350.17456	1.6
350.23709	1.4
367.17950	18.2
372.18411	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05503	0.8
55.51110	0.5
56.96564	2.2
57.03428	0.8
61.02909	0.6
63.89190	0.3
67.05508	2.8
69.03420	0.6
69.07062	1.1
71.25360	0.5
73.02908	0.5
75.97889	0.4
79.05492	2.2
80.45991	0.3
81.03413	0.8
81.07062	2.7
83.08614	1.1
83.55723	0.3
85.02889	0.6
91.05473	2.0
93.07046	3.4
95.04964	0.7
95.08607	2.3
97.02898	0.7
97.06505	0.7
98.97577	1.3
99.04443	0.5
102.71719	0.3
105.07047	2.4
107.04945	0.6
107.08575	1.9
109.02895	0.4
109.06513	0.7
109.10152	1.0
111.08066	0.5
117.07029	0.6
119.08584	1.6
121.10136	0.6
123.04417	0.4
127.03914	0.7
131.08565	1.4
133.10141	1.1
135.11722	1.0
137.05733	2.6
143.08577	0.5
145.10121	1.4
147.11717	0.9
149.09534	0.4
149.13266	0.5
157.10109	0.5
159.11722	1.1
173.13263	0.5
179.14240	0.4
185.04918	0.4
197.13350	0.4
198.56516	0.4
199.06500	0.4
221.11484	0.9
235.13055	1.6
253.13010	0.5
257.18942	0.9
267.09006	1.7
269.12378	0.5
275.20123	0.9
285.09952	1.7
286.10452	0.4
331.15445	0.6
331.18988	0.6
340.15643	0.5
349.19888	100.0
349.23355	4.4
350.20288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.8
56.40575	1.0
56.46566	1.2
56.48897	1.0
56.96552	4.6
57.03422	1.7
57.10887	1.1
59.04985	1.7
61.02901	1.0
61.04089	1.0
61.54316	1.0
62.80033	1.1
67.05493	3.1
69.03423	5.3
69.07062	1.8
69.75102	5.5
70.06577	2.9
70.45397	1.1
70.98112	3.3
71.04996	3.1
72.08150	1.8
79.05473	3.2
81.03399	1.6
81.07050	4.9
85.02907	9.0
85.24573	1.2
86.03211	1.3
86.09683	1.9
91.05486	5.9
93.07021	2.8
95.04953	1.9
95.08592	1.9
97.02911	5.9
97.06522	1.9
98.97609	5.9
99.04451	2.3
105.07048	1.8
107.04962	1.3
107.08575	4.6
109.02811	2.3
109.06510	1.9
109.10161	1.6
110.07137	1.4
113.05960	1.9
116.98596	1.8
119.04970	1.1
119.08581	1.4
123.11723	2.0
127.03908	3.3
133.06464	1.6
133.10136	2.7
139.03905	4.5
147.04388	2.6
151.03929	2.5
151.07556	7.0
151.11215	2.7
152.07893	9.3
156.07690	1.2
161.05927	1.9
164.07068	1.4
169.08586	1.7
169.12253	4.5
170.99503	1.2
175.06075	2.3
184.06868	1.1
187.13268	1.6
193.08624	1.7
205.07460	4.3
219.01802	1.4
223.08463	2.0
234.98962	4.0
237.02814	1.6
247.04506	1.2
303.05246	2.6
331.13156	2.0
349.08810	45.8
349.12582	100.0
363.37540	1.3
368.36743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07015	0.4
59.43920	0.3
61.02922	0.3
62.33508	0.3
63.80577	0.3
67.63178	0.3
69.03420	1.0
69.04764	0.3
70.20052	0.3
70.84492	0.5
70.84813	0.5
75.13244	0.3
79.80092	0.3
81.03412	0.7
81.07046	0.4
83.83424	0.3
85.02902	0.9
98.97587	0.7
107.21004	0.3
123.11727	0.4
127.03925	0.4
139.03809	0.4
143.01941	0.4
144.19421	0.3
145.05000	0.5
151.11143	0.5
156.05496	0.3
157.50481	0.3
169.09810	0.3
169.12274	0.4
178.14859	0.3
187.07832	0.4
187.09450	7.0
349.14688	100.0
350.15106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32572	1.2
53.03939	2.4
55.01859	3.7
55.05513	7.9
55.05742	1.6
56.96303	2.0
56.96566	29.5
57.03449	7.5
61.02940	2.4
67.05194	1.6
67.05508	21.0
69.03415	3.2
69.07074	14.9
71.04962	2.1
71.36674	1.2
71.95256	2.4
73.02903	1.5
79.05077	2.3
79.05493	26.4
81.03412	5.3
81.06598	2.0
81.07058	36.7
83.04957	2.4
83.08590	4.2
85.02879	3.6
85.06527	1.9
91.04965	1.9
91.05485	20.9
93.07050	19.1
95.04945	2.9
95.08043	1.7
95.08609	14.8
97.02832	2.8
97.06513	4.5
97.96819	1.7
98.97597	2.9
103.00699	1.7
105.03400	2.0
105.07031	18.7
107.04931	3.9
107.08589	14.0
109.06557	7.5
109.10120	5.6
110.97561	3.4
111.08054	1.8
112.99134	1.6
116.98604	2.2
117.06970	5.0
119.08592	12.9
121.06472	1.8
121.10110	4.7
123.01172	1.4
123.08047	2.1
123.11697	1.6
128.98564	4.2
129.07056	1.6
131.08551	9.5
133.10144	13.4
135.08003	2.7
135.11659	3.9
137.02730	1.4
137.09598	2.9
143.08536	2.5
145.10095	9.5
146.99612	2.0
147.11697	6.8
149.09590	3.1
149.13277	3.2
151.11122	1.4
153.02243	2.0
155.03781	2.3
157.10158	2.6
159.11697	7.6
161.09494	1.3
161.13223	3.9
163.11227	2.4
163.14771	1.1
167.03830	1.6
168.95309	1.2
169.00359	1.3
169.01736	1.6
169.10107	2.0
171.03299	4.3
171.11674	2.5
173.04834	2.9
173.13268	3.3
175.11221	1.4
177.12785	2.3
179.14272	1.5
183.03143	2.0
183.11650	1.3
185.04826	3.6
189.04227	3.7
193.12181	1.6
197.04919	1.8
197.08617	1.8
199.06424	6.0
203.05750	2.6
215.09424	1.7
215.11247	2.8
217.07382	2.8
225.04250	2.1
225.07925	3.2
227.05847	3.7
229.07384	2.8
239.17889	2.5
243.09076	18.3
247.20584	1.6
251.09462	2.1
253.10837	2.2
253.13075	1.6
255.09103	8.9
257.19110	6.1
261.10086	5.5
266.10654	1.9
267.09039	6.7
268.09711	2.4
269.10593	4.7
269.17435	2.8
271.14035	1.5
273.10071	5.5
275.20062	16.3
279.08911	3.7
280.09760	1.3
284.11853	1.8
285.10080	7.4
286.10489	1.7
287.11682	1.5
331.15802	63.8
349.16821	100.0
349.23288	23.2
350.17105	2.2
367.13782	1.6
367.17963	20.4
372.18512	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	349.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53344	0.2
55.05482	0.2
59.78835	0.2
60.76140	0.2
69.03426	0.3
69.07067	0.4
70.67934	0.2
70.68274	0.5
85.02901	0.5
97.02888	0.3
98.97592	0.9
104.47185	0.2
107.08607	0.2
108.63361	0.2
110.85406	0.2
116.98528	0.2
185.04233	2.0
187.07294	0.4
204.98566	0.3
222.77838	0.2
308.08743	0.9
334.08847	0.4
349.12579	100.0
350.12885	1.7
352.49390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
55.05514	26.3
56.96560	6.4
57.03431	6.0
67.05510	71.1
69.07066	12.6
69.76601	12.6
71.05009	5.4
71.08635	9.0
74.38847	2.3
79.05497	16.5
81.03414	3.4
81.07063	34.3
83.04994	4.5
83.08627	19.4
85.02929	2.8
85.06562	3.0
91.05493	13.9
91.68731	2.3
93.07047	24.9
95.04974	3.8
95.08598	18.5
97.06565	5.6
97.10159	13.9
98.97598	3.3
99.08090	10.2
105.07033	7.7
107.05012	2.0
107.08589	19.9
107.27924	2.1
109.10165	51.4
111.08086	5.1
119.08595	10.9
121.10151	7.9
123.11742	5.0
125.09649	14.7
131.08595	5.2
133.10120	7.6
135.08087	2.6
135.11708	9.1
137.09601	6.4
139.11159	2.6
147.04402	4.6
147.11728	3.5
149.13278	13.2
151.11185	8.6
155.10670	32.0
159.11728	3.4
159.31367	2.5
161.13264	5.1
163.11238	3.6
165.12750	2.8
171.10081	3.7
172.83948	2.2
173.11746	100.0
177.12761	4.3
179.14342	4.1
189.11185	15.3
190.14403	4.4
194.29782	2.2
195.13820	40.8
195.46965	2.6
213.14809	15.3
259.20514	2.7
277.21649	47.4
295.22693	25.6
348.18521	9.8
349.19824	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	349.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
56.96564	3.3
59.04995	1.0
61.02919	1.3
65.03925	2.4
67.05505	6.6
67.75916	0.9
69.03423	3.9
69.07066	3.6
70.06599	7.7
70.88946	1.9
71.04992	4.5
76.03993	1.8
79.05488	4.8
81.03409	1.8
81.07059	9.3
83.04993	2.1
84.04511	1.8
85.02909	7.1
85.06532	1.9
86.09702	8.9
87.04456	1.3
91.05481	100.0
92.05809	4.1
93.07042	4.8
95.04959	1.4
95.08614	3.8
97.02885	3.3
97.06516	2.0
98.97587	28.5
99.04430	2.0
101.00854	1.6
105.07039	6.7
107.04946	3.0
107.08598	10.8
107.40401	0.9
109.02888	1.7
109.06491	2.3
109.10175	6.2
110.97595	2.3
111.04359	1.0
111.08060	1.5
116.07082	3.4
116.07948	1.0
116.98644	7.2
119.01884	1.8
119.08607	3.0
121.06496	2.0
121.10172	3.2
123.08070	1.0
123.11732	7.1
127.03883	1.6
128.98611	2.8
130.05057	1.7
131.07008	1.0
131.08543	8.3
133.10136	5.9
134.99634	1.9
135.11662	1.7
143.01897	2.7
145.05013	1.2
145.10129	2.8
147.11705	2.1
149.05959	1.6
149.09595	5.7
151.03911	6.5
151.07494	1.4
151.11174	10.1
158.99641	20.3
161.02968	2.4
165.12770	1.3
167.10638	1.6
169.12250	7.8
173.02943	1.1
177.00723	8.7
177.05518	1.8
179.07033	2.5
181.05025	1.4
183.14885	1.8
184.05704	2.4
187.13304	1.5
191.10652	2.1
196.08434	4.6
199.02946	1.2
205.06148	1.3
205.08900	3.5
205.59081	1.2
207.06500	6.8
207.13686	1.4
209.11731	4.3
214.06766	9.4
214.09454	7.8
214.59570	2.2
219.01762	13.8
223.07004	0.8
237.02821	1.5
245.06738	15.2
247.06303	1.0
249.10077	1.0
265.07538	5.0
265.10001	1.0
279.03912	8.0
283.08484	6.3
289.12900	1.7
306.29053	1.1
307.08548	4.1
309.06442	2.3
327.07315	5.4
349.08945	9.8
349.13498	4.5
367.10703	1.5
369.08484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23032	2.3
53.03954	3.0
55.01872	6.8
55.93173	2.4
56.96567	10.1
57.03438	16.8
61.02932	33.0
69.03086	3.4
69.03434	45.8
69.07079	3.4
69.36769	7.7
69.37183	11.6
71.05006	5.2
73.02925	13.5
81.03401	11.0
82.99847	3.2
84.96013	3.7
85.02914	75.6
85.04095	2.5
86.09722	3.7
87.04490	6.4
91.03946	3.3
95.00771	2.4
97.02891	37.2
98.97593	61.4
98.98212	4.9
99.04449	10.3
101.00858	14.6
102.01513	2.6
102.04143	2.7
105.02069	4.1
107.04942	4.1
109.02891	7.8
110.01263	3.7
110.97574	8.7
112.99140	8.3
113.00879	6.5
114.02598	3.5
115.02369	7.0
115.03928	5.0
116.98621	9.5
119.01883	20.3
120.30699	2.5
124.95381	2.5
124.99128	6.5
127.03930	31.5
128.02319	4.1
128.98630	13.5
129.02061	3.2
131.00159	7.7
131.01888	13.3
133.03448	4.8
135.03101	4.5
136.79492	2.4
140.02347	7.0
140.07086	4.5
141.01292	2.9
141.03055	4.6
143.00215	13.2
143.01892	14.7
145.04964	17.2
146.02341	5.6
146.99690	8.0
147.03049	4.7
149.01225	4.0
150.01816	7.4
151.03862	3.4
153.03065	3.3
155.00061	2.9
155.01851	3.9
155.02901	6.2
155.04639	6.8
158.99658	16.6
161.01248	7.8
161.02901	6.8
165.00710	3.4
168.03596	11.4
168.06606	6.7
168.99843	4.6
170.99667	5.3
173.01266	2.6
173.02895	5.8
175.00729	3.2
176.53610	4.2
176.56241	4.8
177.00760	6.9
177.02551	5.3
177.04160	100.0
177.05734	4.6
177.54329	8.1
182.99593	2.8
186.04709	81.7
186.06210	2.7
186.54849	11.1
187.00894	7.0
189.00658	5.7
191.02249	10.0
191.03917	3.9
196.01395	3.6
196.99429	5.2
197.02919	5.2
197.55469	6.9
199.00958	5.5
200.04626	2.4
201.00734	7.4
203.03932	6.1
205.00095	3.0
209.03340	10.5
213.03357	2.9
215.00432	17.5
218.03496	5.0
219.01741	13.8
220.02151	2.8
220.04155	5.9
221.05113	4.8
226.02419	3.7
227.03946	11.9
227.06033	3.8
228.00560	3.1
229.01973	6.7
235.52977	2.6
237.02786	6.6
242.03694	7.2
245.05177	5.6
246.05440	3.3
247.02887	13.5
251.04468	4.5
257.56415	3.7
258.06833	62.6
258.35468	2.5
258.57028	8.3
266.56619	4.2
267.07315	87.2
267.57401	6.9
269.05222	3.8
288.09564	3.5
289.04221	3.4
317.03799	4.5
320.32870	2.6
348.10623	4.7
348.12857	4.1
352.11600	4.9
353.07428	25.3
353.10730	2.6
371.08737	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	348.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01864	0.8
57.03414	0.7
57.77171	0.5
60.04519	0.5
61.02922	1.2
67.05494	1.3
69.03435	3.8
69.07072	39.9
69.94311	0.9
69.94722	1.7
70.06590	2.8
73.02914	0.6
75.39485	0.5
81.03410	2.2
85.02908	13.9
86.09711	0.6
87.11699	0.4
95.04990	2.3
96.87087	0.4
97.02911	5.6
97.06548	4.6
98.97604	1.0
99.04443	1.1
100.52398	0.5
103.03900	0.6
105.03444	0.5
105.07014	0.4
109.02915	2.4
111.24464	0.4
112.07619	3.3
123.04425	2.3
125.05939	0.5
127.03926	2.9
136.06245	0.6
140.07069	40.2
141.27895	0.4
145.04993	1.1
151.03851	0.6
151.25645	0.4
164.07079	0.8
168.06570	100.0
169.04933	0.7
169.06813	0.7
177.00581	0.5
182.08142	8.4
186.07623	18.3
206.08107	1.2
210.07626	17.2
219.01756	0.7
228.08755	2.7
234.07672	3.0
252.08536	0.8
264.08698	1.3
276.08713	2.0
281.12344	0.4
294.09915	0.6
330.11847	0.7
348.13339	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	347.1701
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
51.34087	1.6
51.99133	1.6
53.03942	4.5
55.01874	29.5
55.05509	5.9
55.93534	1.9
56.96562	4.3
57.03442	3.7
57.61869	1.7
59.04992	2.5
61.02922	4.9
67.05496	4.0
69.03435	15.4
69.07079	9.8
69.71282	3.7
69.71691	6.7
70.06589	2.5
71.01340	3.7
71.04992	4.4
73.02895	2.8
79.05502	20.3
79.89043	1.6
81.03406	8.1
81.07071	17.6
83.04986	5.9
83.08634	2.8
85.02909	44.4
85.06550	2.9
86.09709	6.1
87.04468	3.4
91.03983	2.6
91.05521	9.4
93.07045	19.2
95.04972	6.7
95.08605	6.9
97.02883	9.8
97.06516	2.4
98.97576	7.8
99.04470	4.9
103.05474	4.0
105.03448	2.1
105.07041	10.1
107.04974	9.9
107.08599	100.0
109.02867	4.8
109.06535	11.0
112.21347	1.7
116.07072	3.2
121.06526	7.7
121.10148	23.0
123.04421	3.3
123.08099	8.5
124.78563	1.8
125.05970	4.3
125.09672	4.6
127.03922	11.0
127.07570	11.5
131.04964	2.8
131.08540	4.4
137.05983	4.3
137.09613	2.5
139.03889	2.3
139.11201	4.2
145.04947	7.3
147.04439	2.9
148.07536	1.9
149.06004	11.5
149.07881	4.2
149.09607	23.8
151.07555	4.9
153.06967	3.0
161.06024	2.3
163.03882	3.4
167.07024	3.1
167.10684	89.4
173.13033	1.8
177.05450	19.1
178.05031	4.7
181.06483	5.1
185.04686	4.5
185.08139	4.5
185.11739	25.9
193.04994	2.1
194.34100	1.7
197.05981	3.3
198.06509	1.9
203.05898	13.6
209.06189	2.5
209.08096	34.2
213.09085	2.9
219.01689	2.3
221.07083	3.2
234.98856	2.2
237.02843	2.2
241.08592	4.2
245.07042	4.0
258.08856	10.9
271.09698	2.2
272.10501	16.3
273.11142	8.5
291.01770	3.8
329.10333	3.8
347.10074	13.2
347.13086	11.9
347.16800	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12939	0.4
52.67005	0.3
55.05500	1.1
56.96570	1.9
57.02460	0.4
57.03421	0.4
67.05489	1.4
69.03410	0.6
69.07063	1.6
71.17245	0.8
79.05478	1.5
81.03402	0.6
81.07063	2.9
83.04962	0.4
85.02905	0.8
85.61670	0.4
91.05482	1.8
93.07043	1.6
95.04942	0.9
95.08607	1.7
98.97574	1.6
105.03416	0.4
105.07026	1.1
107.08595	1.3
109.10167	1.2
116.98592	0.7
117.06986	0.5
119.08569	0.9
121.02856	0.5
121.06485	0.4
121.10131	0.6
123.11700	0.7
125.06025	0.5
127.03963	0.5
131.08611	0.6
135.04434	0.5
135.08084	0.4
135.11665	0.4
141.53708	0.4
145.10088	0.7
147.04399	0.9
157.10075	0.5
163.03920	0.6
195.09813	0.4
214.74290	0.4
267.91260	0.4
329.17706	0.7
329.21219	0.6
330.21286	0.4
332.65433	0.7
347.18314	100.0
348.18713	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.07055	0.6
65.13077	0.5
67.05512	1.2
69.07045	0.7
69.83363	2.2
79.05498	0.8
81.07066	1.3
88.07597	0.7
91.05497	0.6
95.08601	1.5
101.19351	0.5
105.07044	0.7
107.04956	0.6
107.08579	1.4
109.06538	0.6
119.08560	0.6
137.05965	0.9
145.10059	0.5
193.04974	0.8
229.07512	1.2
285.29626	0.7
347.21954	100.0
347.25513	3.6
347.33170	2.5
348.22238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.17106	0.6
56.96555	1.1
57.07068	1.7
69.17763	3.9
69.18195	1.6
71.08605	0.8
71.53802	0.5
73.02918	1.0
79.26503	0.5
81.07053	1.2
84.08131	0.8
85.02911	0.7
85.10173	0.7
89.21801	0.6
95.08598	1.3
97.02889	1.0
98.20680	1.1
98.97588	1.4
105.07059	0.6
107.97291	0.5
109.10131	0.7
110.97553	0.6
112.99108	0.7
115.43408	0.5
119.01776	0.6
119.08554	0.7
131.00162	1.7
133.10152	0.5
135.08006	0.5
139.69829	0.4
147.03049	0.9
149.01181	1.7
156.03621	2.4
167.54443	1.1
184.03156	0.5
189.16411	0.9
228.05676	1.4
233.45250	0.6
235.12959	0.7
249.14514	1.2
265.14258	0.8
266.14566	1.7
288.00552	0.5
293.05463	0.5
347.17261	11.5
347.21896	100.0
347.33417	1.6
347.67316	2.1
348.22302	1.8
367.68448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07147	0.6
53.03956	0.7
55.05508	1.8
57.03429	1.0
60.04508	1.1
67.05505	4.4
69.03409	2.1
69.07042	1.9
71.04974	1.9
71.54562	1.0
79.05494	5.6
80.76739	0.6
81.03397	1.5
81.07072	5.8
83.04962	2.2
83.08598	0.8
85.02882	2.7
85.06555	3.1
91.05498	6.4
93.07045	8.2
95.04945	1.8
95.08616	5.1
97.06541	0.8
99.04436	1.3
105.03452	0.7
105.07030	5.9
107.04947	1.4
107.08601	7.6
109.06505	2.7
109.10161	8.5
111.04434	1.3
111.08062	1.3
113.05997	1.5
114.09065	0.6
117.07004	1.8
119.04955	1.5
119.08600	6.2
121.02859	2.0
121.06483	2.6
121.10151	3.2
122.03642	0.9
123.08089	1.1
123.11668	1.1
125.05951	1.5
125.09636	1.6
126.06018	0.5
127.03899	2.1
127.07623	0.8
129.06949	1.1
131.08553	3.5
133.06500	1.3
133.10083	2.6
135.04362	1.1
135.08044	2.7
137.05974	6.3
137.09653	1.8
138.06293	2.4
139.06448	1.8
139.07527	1.1
139.11188	0.8
143.08533	2.0
145.10069	2.8
147.04337	0.9
147.08047	1.1
147.11678	2.6
149.05945	1.9
149.09618	3.6
150.06642	0.8
151.07460	1.1
153.05412	0.7
153.09120	3.6
155.07054	0.7
155.08495	1.1
157.10112	2.8
159.11687	2.4
161.09676	1.1
161.13530	0.6
165.09142	5.1
167.10698	4.6
169.10063	2.6
171.11691	1.4
173.13290	1.0
175.07597	0.9
178.05029	5.7
181.10144	1.4
183.11664	1.9
185.11653	7.4
185.13254	1.2
187.11189	1.6
187.66370	0.6
191.10686	0.9
193.04936	1.0
195.11676	1.4
197.13203	1.7
199.14760	0.6
201.18633	0.6
209.08051	0.7
209.13307	0.8
211.14757	0.7
213.12862	0.9
215.14261	3.0
223.14746	0.9
227.17851	1.1
237.16394	3.3
239.17947	4.1
243.13724	1.1
247.14769	1.0
255.17433	6.1
257.19052	1.4
261.14835	3.5
265.15936	3.1
273.18439	2.1
283.16901	10.3
286.17969	0.6
291.10437	1.2
293.09464	0.7
299.09082	1.3
301.17975	8.6
311.16260	5.4
319.19171	4.1
329.10907	2.1
329.17584	5.2
347.16711	100.0
347.25961	2.7
348.17105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.1
60.40124	0.6
69.03418	1.4
69.99844	2.2
70.06604	0.6
71.04977	0.7
74.29568	0.5
79.05482	1.0
81.03410	0.7
81.07069	0.6
83.04961	0.9
85.02909	3.9
85.19621	0.5
89.03881	0.6
91.05466	1.0
93.07031	0.7
95.04964	0.7
95.08588	0.6
97.02905	1.0
98.21467	0.7
98.97565	1.7
99.04415	0.5
105.03400	0.8
107.04952	1.7
107.08587	0.9
109.02811	0.6
109.06509	0.7
110.97540	0.7
117.03378	0.7
119.04931	0.8
123.04360	1.0
123.08169	0.5
127.03940	1.0
135.04433	1.2
137.02525	0.6
137.05975	2.6
139.08429	1.1
143.00145	0.6
145.04974	0.7
147.04442	0.7
149.05994	0.7
151.07480	1.1
158.99648	0.9
160.19234	0.5
163.03886	3.9
167.08899	0.5
167.10657	0.9
185.10069	0.8
185.11694	0.9
189.00674	0.6
203.07457	0.5
207.10103	1.0
237.02872	0.9
329.11127	0.9
339.03781	0.6
347.13062	100.0
347.16681	12.2
348.13324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
55.01862	4.9
55.05515	16.5
56.96541	1.7
57.03439	7.2
57.07066	3.1
59.04977	1.8
61.52685	1.3
65.03936	2.0
67.05516	11.4
69.03421	5.6
69.07072	15.8
69.99026	3.3
70.70888	1.3
71.04990	4.9
72.73999	1.2
79.05492	15.2
81.03403	1.9
81.07052	16.9
82.04184	2.9
83.04993	16.6
83.08614	6.3
85.02911	2.5
85.06532	3.6
91.05487	16.9
93.03471	1.5
93.07047	26.9
95.04962	6.6
95.08058	1.8
95.08613	18.9
97.02896	1.5
97.06528	7.2
97.10165	3.9
98.97581	3.0
99.04472	1.7
99.08046	3.2
103.05473	1.4
105.07042	16.5
107.04937	6.6
107.08598	42.4
109.06550	8.0
109.10160	12.4
111.08097	8.9
113.09682	1.4
117.07027	3.6
119.08586	45.5
121.06511	13.2
121.10141	15.2
122.07273	4.2
123.08067	8.9
123.11759	6.0
125.09644	8.3
127.07590	1.4
131.08594	15.3
132.99561	1.7
133.10149	20.2
135.08061	19.4
135.11699	8.0
136.08873	1.6
137.05997	7.4
137.09613	4.5
137.13235	1.3
139.11197	2.2
143.08578	2.2
145.10118	5.5
147.11673	5.8
149.05989	1.9
149.09630	21.1
149.13268	12.3
151.03897	2.0
151.11211	3.4
153.09164	1.6
153.12578	1.2
158.10968	2.0
159.11688	1.8
161.05978	1.8
163.11218	2.4
163.14828	8.5
165.07188	1.4
167.14334	5.3
173.13252	15.1
174.14018	1.8
175.07558	1.3
177.12749	4.3
181.15941	1.7
183.15811	1.3
185.02710	2.3
189.12863	1.5
191.14317	100.0
192.15100	16.9
209.15364	6.2
221.05965	1.5
279.10089	1.8
285.11105	4.3
299.12839	1.5
329.14255	7.1
347.11658	2.5
347.15353	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1239
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01865	2.9
69.07050	0.8
69.40449	5.6
71.04991	0.9
79.05497	1.0
81.07063	1.1
93.07047	0.9
95.08585	0.8
97.06522	1.1
98.21578	1.3
100.90085	0.7
103.05518	1.0
105.03388	0.7
107.08543	1.0
114.77827	0.6
121.02872	3.2
121.10098	0.7
138.05505	0.9
149.05975	0.7
152.03464	1.0
160.03969	1.1
168.06577	0.9
170.08420	0.7
176.07056	0.8
178.05043	1.8
182.09688	0.7
183.09167	1.3
185.07101	2.2
185.11745	0.7
187.05086	2.3
196.07541	1.0
197.06982	1.0
198.09204	1.2
199.08653	4.1
201.06543	3.4
201.10190	1.3
209.07033	0.7
210.09286	0.6
211.08638	1.6
212.10753	0.7
213.06552	6.7
213.10217	3.0
215.08324	0.7
224.06989	0.7
225.06552	0.7
227.08163	7.4
227.11815	2.6
229.09735	3.1
231.07730	2.9
237.06511	1.0
237.10252	2.1
238.08650	1.6
239.08168	1.4
239.11826	1.4
241.09686	4.2
243.07870	0.8
243.11198	0.9
245.09448	1.1
255.07692	8.7
255.11279	5.3
257.09235	1.4
257.12827	1.1
259.07144	1.2
265.09668	3.4
267.07657	1.7
269.09253	7.5
273.08746	5.3
273.11261	0.9
275.10495	1.3
280.45526	0.7
283.10800	16.4
285.12231	1.0
287.10144	2.2
293.09183	5.6
301.11807	4.1
311.10266	35.3
319.12891	1.5
329.11331	52.5
346.83578	0.8
347.12357	100.0
347.16763	42.5
348.12955	1.7
348.17062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.01868	0.5
69.03410	1.3
69.32407	0.4
71.05008	0.4
71.54115	0.6
71.54487	0.4
75.42325	0.4
77.71824	0.5
79.05477	0.5
79.10397	0.5
81.03410	0.5
81.07044	0.6
83.04974	0.8
83.33328	0.4
85.02895	1.9
87.04445	0.5
91.05478	0.7
93.07022	0.8
98.97588	1.4
99.04462	0.5
107.04968	1.0
119.04945	0.7
123.96609	0.4
126.44619	0.4
127.03963	0.8
133.02820	0.4
137.05960	1.7
138.06581	0.4
143.10086	0.4
158.99634	0.6
163.03912	1.6
167.10632	0.5
184.09879	0.4
204.08260	0.6
247.07861	0.6
273.74896	0.4
347.13101	100.0
347.16638	7.2
348.13483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1236
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
51.64992	0.7
53.03945	1.0
55.01868	2.0
55.05499	1.7
57.03431	1.2
60.04536	7.1
60.21747	0.8
61.04866	0.9
65.03934	2.4
67.05511	6.2
69.03422	3.7
69.07047	1.8
69.97737	1.8
69.98135	1.9
71.04985	3.6
73.02917	0.8
79.05489	3.7
81.03423	2.6
81.07050	4.0
82.53143	0.9
83.04960	1.5
85.02892	5.6
85.06541	2.7
87.04454	2.0
91.05483	5.4
92.05013	10.3
93.07031	3.0
94.06575	1.2
95.04961	2.0
95.08591	2.5
96.04473	1.3
96.08158	0.8
97.02887	3.1
97.06533	2.0
98.21421	1.0
99.04435	1.2
99.08078	3.0
101.05986	1.5
105.07014	2.7
107.04919	0.9
107.08598	2.6
109.02883	1.9
109.06524	1.7
109.10149	1.1
110.05991	1.4
111.04437	3.7
111.08079	1.0
113.05965	1.3
116.07085	1.3
119.04929	0.8
119.08549	1.3
120.04488	4.0
120.08906	1.3
121.02836	2.2
121.06546	0.9
121.10105	3.2
122.06028	3.2
123.08051	1.4
125.05984	3.2
125.09615	1.2
125.49007	0.9
127.03918	1.5
127.07574	1.4
131.08563	1.6
136.07533	1.3
137.05991	5.5
138.05496	9.7
138.09128	3.6
139.07497	1.3
139.11220	2.1
145.10178	0.9
147.04349	1.1
148.03908	1.4
149.05960	1.4
149.09618	4.9
150.09984	1.4
151.07584	1.6
153.06999	1.6
161.05934	0.8
164.07086	8.9
166.05011	8.9
167.10675	5.7
168.08020	1.1
169.08769	0.9
170.09750	1.5
176.07095	1.2
178.04974	2.9
181.06482	0.9
182.08124	5.3
183.06737	1.2
185.10184	1.4
185.11736	17.6
186.09174	1.8
198.09253	7.2
199.08644	3.8
200.09401	1.1
212.10768	1.8
213.06566	1.5
213.10191	6.9
214.08832	1.3
215.08185	1.8
221.06126	1.0
226.08742	12.4
227.08130	4.6
227.11699	2.0
229.09616	1.0
231.11061	1.2
237.10332	0.9
238.08598	2.6
240.04355	0.9
240.10115	3.2
241.09714	21.8
242.10402	3.1
255.11342	5.2
256.09735	2.0
258.11160	1.9
259.10889	4.3
260.11505	1.1
265.09711	1.4
266.08167	0.9
267.11258	2.4
268.09729	5.2
268.26291	0.8
269.09186	6.5
273.12289	1.2
283.10791	4.7
284.09058	1.2
286.10706	4.6
287.10281	12.3
301.11847	12.8
311.10196	4.4
319.12845	4.0
329.11337	4.7
331.13647	0.9
347.12326	100.0
347.16724	26.5
347.25919	7.1
348.12708	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
55.05502	1.1
67.05498	1.3
69.03413	1.3
69.07058	1.8
70.84224	2.0
71.05000	2.5
77.19942	1.0
78.21857	1.0
79.05494	2.1
81.07051	2.1
85.02900	1.9
91.05489	1.2
93.07047	3.0
95.08619	1.7
98.97617	1.4
105.07017	1.5
107.08559	1.9
107.17338	0.9
109.10164	1.4
113.05984	0.9
120.95689	0.9
121.02888	2.9
121.10168	2.6
123.11761	1.2
137.05988	2.1
138.05513	1.6
139.11139	1.7
152.03395	1.7
160.04007	1.0
162.05502	1.2
167.07063	1.3
167.14301	1.3
178.05017	1.8
185.07062	1.2
185.11789	1.7
185.15376	1.6
187.05074	1.8
198.09288	1.3
199.08733	5.9
201.06615	3.5
209.10802	1.3
210.09212	1.7
213.06653	5.2
213.10222	3.5
214.08754	0.9
222.08127	1.0
227.08098	7.5
227.11734	2.4
229.09766	3.0
231.07661	2.5
237.10310	1.8
238.08696	2.2
241.09695	5.5
243.11282	1.3
245.09212	1.2
255.07663	9.1
255.11253	5.1
257.09247	1.9
257.12872	1.4
259.07495	1.1
265.09756	3.2
267.07574	2.2
269.09232	8.4
273.08743	4.7
273.12109	1.1
283.10803	16.4
287.10449	1.9
293.09229	5.6
301.11823	3.0
311.10278	38.9
319.12814	1.5
329.07324	2.1
329.11337	51.2
347.12424	100.0
347.16592	8.1
348.12970	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	28.0
57.01950	4.3
57.03425	7.8
59.04967	3.8
67.05180	6.9
67.05506	87.0
68.78277	3.9
69.07069	26.7
71.14693	6.7
77.19565	3.9
79.05493	35.0
81.07056	60.7
83.04992	9.1
83.08645	24.7
91.05485	30.6
93.07055	30.5
94.25880	3.8
95.08592	29.6
97.06541	8.0
97.10178	23.2
97.65654	3.6
98.97558	6.0
105.07011	18.9
107.08604	45.0
109.06511	4.1
109.10158	72.2
111.08092	4.7
117.07040	5.5
119.08569	21.9
121.10126	16.6
123.08046	4.3
125.09641	19.3
131.08572	8.3
133.10109	26.3
135.11682	5.1
137.09581	7.3
145.10162	5.7
147.11725	9.3
149.09613	13.0
149.13269	15.6
155.10661	45.0
159.11664	13.7
163.11195	6.4
173.11736	100.0
177.12766	9.1
189.11246	17.7
195.13835	48.2
213.14832	25.8
227.13109	4.3
239.17932	8.2
257.18979	11.1
275.20084	87.6
293.21298	18.3
323.08167	4.0
332.12842	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	7.8
55.05508	42.2
57.03436	6.0
57.07055	9.9
60.15518	5.7
67.05506	100.0
69.03426	7.8
69.07062	34.4
70.74517	7.4
71.04979	10.2
71.38588	8.6
79.05498	56.3
81.03415	12.5
81.07051	65.2
83.04979	17.9
83.08624	22.7
85.02934	5.2
85.06548	9.8
85.10175	8.9
91.05489	36.1
93.07055	45.0
95.04971	20.5
95.08618	67.0
97.06561	15.5
97.10187	16.9
98.97585	13.9
99.08109	6.5
105.07041	22.4
107.08588	44.1
108.06341	5.7
109.06543	8.7
109.10172	48.1
111.08126	5.9
113.09624	19.0
116.98624	6.2
117.07067	6.9
119.08591	27.3
121.10139	43.7
125.09647	17.6
131.08604	13.2
133.10133	26.3
135.11674	14.8
137.09645	17.2
139.11198	14.0
145.10121	9.5
149.09581	12.7
151.11160	20.4
155.10680	17.1
157.10127	7.3
163.11218	9.1
167.10675	11.9
173.11824	29.9
181.12267	12.7
189.11224	8.2
189.99176	5.9
197.11790	7.2
209.11746	8.0
227.12737	5.9
236.48334	6.6
257.19101	7.1
272.49191	6.0
275.20038	25.3
283.85202	5.7
293.21121	27.6
331.45175	5.8
346.17084	6.9
347.18326	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	346.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01863	0.6
60.04533	6.7
61.02915	0.8
67.05507	0.9
69.03417	1.4
69.07072	0.6
71.04986	0.5
71.38436	0.3
71.54380	0.5
72.08143	0.6
72.14346	0.3
73.02924	0.5
73.49429	0.4
79.05493	1.6
81.03413	1.0
81.07039	0.8
81.28419	0.3
85.02911	3.7
86.09688	0.5
87.04434	0.4
91.05483	4.9
93.07043	0.8
95.08594	0.4
96.36349	0.3
97.02881	1.7
98.97569	0.5
99.08134	0.4
103.05511	0.5
105.03403	3.4
105.07030	1.0
107.04966	6.9
109.02876	0.6
115.05425	0.8
116.06245	1.4
119.08582	0.6
121.10126	0.6
127.03919	0.8
129.07019	0.9
131.04945	1.2
131.08572	100.0
133.10173	0.5
143.03403	0.4
145.04987	0.5
145.10162	0.4
149.05995	4.0
149.09625	4.3
166.08682	0.7
171.11687	0.3
173.09685	0.6
174.54976	0.3
184.09709	0.4
184.13287	0.3
196.95474	0.3
217.56673	0.3
222.08400	0.7
229.72919	0.3
231.08984	0.4
257.11801	0.5
270.51901	0.3
328.24854	0.9
330.20850	0.4
330.91974	0.3
346.15198	0.4
346.25912	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	346.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36845	1.7
53.03943	4.6
55.01871	4.8
55.04639	1.6
55.05503	2.0
56.96563	3.7
57.03435	10.8
59.22139	1.8
60.04520	4.3
61.02940	12.1
67.05497	3.4
69.03433	24.7
69.07056	2.3
70.02148	4.1
70.06593	1.8
71.04979	5.7
73.02925	4.6
79.05491	4.6
80.97090	1.7
81.03423	10.5
81.07055	7.9
85.02911	100.0
87.04442	2.6
91.03958	6.4
91.05489	10.6
93.07053	12.7
95.04988	2.1
95.08582	2.7
97.02891	25.9
98.97565	8.8
99.04443	6.3
105.07016	3.7
107.04951	6.3
107.08588	9.4
109.02885	5.5
109.10174	2.0
116.98603	2.9
118.98316	1.7
119.08582	7.7
121.10074	1.7
124.07570	2.4
127.03929	27.0
131.08575	25.0
133.10133	4.9
135.36140	2.0
145.04971	49.5
149.09624	62.3
158.99689	3.5
163.06020	9.2
166.06528	6.9
184.07600	6.0
200.65402	1.5
215.10812	1.8
219.01750	2.2
237.02705	2.4
293.13831	9.7
311.10236	7.7
314.09988	1.6
329.11377	9.0
346.25946	3.4
347.12524	11.1
359.13629	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
51.51729	0.5
53.03939	1.6
55.01900	0.5
56.96581	0.4
57.02411	0.4
57.03426	0.6
60.04516	0.9
61.02925	1.1
61.69399	0.4
69.03419	1.4
69.75710	1.0
69.76125	1.5
71.04985	1.8
77.03933	0.9
79.05497	1.8
81.03398	0.8
83.04996	0.9
85.02901	5.9
91.05464	0.5
93.07056	0.9
95.04941	1.5
97.02898	1.7
98.97577	1.3
105.03394	100.0
106.03728	0.7
107.05011	0.6
107.08601	1.0
107.57178	0.5
109.02882	0.6
110.97492	0.5
123.04406	2.0
127.03918	0.8
145.04993	1.0
149.05977	3.3
158.99677	0.7
167.07042	37.5
168.90765	0.5
169.04057	0.5
171.66389	0.5
215.13937	0.5
303.04941	3.3
325.05920	1.0
334.06366	1.6
334.56458	0.9
346.14066	0.8
346.25876	0.7
347.16879	3.9
359.00916	0.6
359.13696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
60.04525	1.8
61.02922	0.6
69.03433	1.1
69.49975	3.6
69.50391	1.1
71.04984	2.1
71.79630	0.6
73.02905	0.7
77.03934	0.8
79.05492	2.2
80.42913	0.6
81.03423	0.7
81.07058	0.6
85.02915	6.5
86.09695	0.7
87.04443	0.6
91.05466	0.6
93.07038	0.9
95.04959	1.8
97.02894	1.9
98.97565	1.8
104.93922	0.6
105.03397	100.0
106.03752	0.6
123.04443	1.8
131.08574	0.7
145.05023	0.7
149.05992	2.3
167.07043	38.7
185.11523	1.1
209.95981	0.8
215.13911	0.8
261.03317	0.7
261.53662	0.7
303.05096	3.0
314.11099	1.0
325.05927	1.1
325.55832	0.7
328.24863	0.7
334.06268	0.8
346.16089	0.8
346.26041	1.1
347.16766	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	345.3001
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
55.05510	16.0
57.03436	7.7
57.07080	100.0
67.05500	28.0
69.07067	14.3
71.08638	80.9
75.04482	5.0
76.82780	2.0
77.62475	2.3
80.33572	2.2
81.07060	46.1
83.08623	28.0
85.10191	42.0
88.07615	2.4
93.07073	2.7
95.08610	66.0
97.10170	23.0
104.99266	6.4
107.18275	2.3
109.10162	28.8
111.11726	5.6
113.05994	2.3
123.11707	16.6
125.13232	3.5
137.13248	8.9
139.07527	2.5
139.13925	2.7
151.14821	4.8
207.04021	2.2
235.24220	3.7
253.25276	27.2
262.98184	4.8
271.26385	9.3
307.52631	2.2
313.03470	3.0
327.28934	88.4
330.03671	3.1
345.05997	16.1
345.09631	4.1
345.19739	3.9
345.23810	34.5
345.27817	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01865	5.5
56.96558	3.1
57.03440	4.5
57.60879	1.8
61.02926	10.9
61.59645	1.8
67.05484	2.1
69.03099	2.0
69.03436	25.0
69.07058	2.5
70.06575	6.1
71.04990	4.9
71.54242	2.5
73.02914	6.0
79.05482	2.3
81.03407	7.2
81.07072	2.6
84.04501	3.6
85.02910	100.0
86.06032	4.5
86.09293	2.2
86.09718	22.2
87.04467	3.8
91.03945	8.1
91.05488	7.9
93.07056	4.5
95.04972	4.3
95.08638	2.2
97.02905	30.6
98.97574	6.9
99.04469	6.2
103.05431	2.5
105.03403	54.0
107.04963	79.4
108.04497	2.4
108.08105	2.1
109.02885	9.2
109.06526	3.1
110.09695	2.5
110.97603	1.8
116.07095	9.9
116.98605	2.9
117.10681	2.0
119.04903	3.3
120.08154	2.5
121.06511	5.7
123.04449	4.4
127.03904	23.8
128.07051	4.3
131.04959	2.0
137.05957	5.4
138.06349	2.2
138.09103	7.2
138.61508	1.7
143.03392	1.9
145.04977	43.3
147.04404	4.6
148.07578	11.7
149.05989	27.5
158.99660	2.1
163.05923	4.0
165.04343	2.3
166.01126	2.7
166.08650	29.0
167.07082	16.0
167.08357	3.0
173.05965	3.6
178.53337	2.1
180.08693	17.8
184.02220	1.9
184.09737	9.0
199.18044	4.3
202.10825	2.9
215.07047	7.5
219.08102	1.9
223.07463	2.3
233.08086	7.9
237.09152	2.1
243.35365	2.2
257.08133	4.3
275.09390	2.4
283.09494	3.9
287.09235	2.9
300.12415	4.9
346.09433	2.5
346.15619	19.1
347.12933	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
54.85587	1.1
55.01864	1.4
57.03432	1.5
61.02924	1.8
61.43397	0.9
67.05487	1.1
69.03429	7.6
69.07040	1.3
70.06589	3.5
70.79176	1.9
70.79521	1.9
71.04984	0.9
72.08153	1.1
73.02914	2.4
76.58393	1.0
79.05483	3.0
80.05017	1.4
80.53474	0.9
81.03398	3.5
85.02447	1.4
85.02911	21.0
86.09702	8.4
87.04482	1.2
91.03945	1.0
91.05472	3.5
93.05782	1.0
93.07044	5.5
93.97607	0.9
94.06604	1.1
94.63465	1.1
95.04951	1.4
95.08607	1.0
97.02889	6.6
98.97578	1.5
103.05464	4.3
105.03411	8.2
105.05758	1.1
106.06592	1.3
107.04946	7.1
108.08121	64.9
109.02870	2.8
116.07072	3.2
116.67688	1.0
120.08110	15.1
122.09658	2.0
124.07590	1.0
126.09158	75.0
127.03906	3.9
128.07108	1.9
130.06512	3.1
136.07582	6.2
137.05995	9.1
138.06322	5.9
138.09137	9.2
145.04941	3.1
148.07578	67.0
149.06010	1.8
150.05394	1.1
150.09114	2.1
154.08664	6.5
156.10214	10.2
163.03914	2.3
166.08646	79.5
167.07013	1.2
168.10242	1.5
184.09694	100.0
238.93243	1.1
287.96716	1.1
300.14444	1.1
323.05878	2.2
328.13950	9.9
346.15601	5.8
347.13159	17.4
359.34457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07094	0.4
53.03916	0.8
55.01841	0.9
55.05482	2.0
57.03413	0.8
57.07045	1.4
58.08657	0.4
61.02898	0.7
61.88705	0.4
65.83662	0.4
67.05511	2.3
69.03437	7.4
69.07073	10.0
69.50253	3.1
71.04990	2.0
71.08607	0.7
73.02899	0.9
79.05492	2.7
81.03439	2.0
81.07063	17.4
83.05002	3.3
83.08603	0.9
85.02455	0.5
85.02910	7.1
85.06539	3.3
86.09712	0.5
87.04397	0.6
91.03936	0.6
91.05466	1.3
93.07065	2.2
95.04945	1.5
95.08067	0.5
95.08610	5.6
97.02895	2.1
97.06547	2.1
98.97587	0.4
99.04466	3.1
99.08099	11.9
105.03390	0.5
105.07021	1.9
107.04932	1.8
107.08607	3.6
109.02876	1.0
109.06526	5.2
109.10166	2.8
111.08063	1.2
113.05977	1.6
119.08595	1.4
121.06527	0.7
121.10156	9.1
123.08078	2.0
123.11725	5.4
125.09637	7.1
127.03881	1.6
127.07577	2.3
133.06442	0.5
135.11655	0.6
137.05992	3.0
137.09619	3.0
137.13300	2.3
139.11203	8.4
143.00284	0.5
145.04945	1.3
147.11707	2.4
151.03894	0.5
151.11197	0.5
162.05603	0.6
165.09120	1.2
165.12776	5.7
183.13821	100.0
184.14192	1.1
191.07144	0.4
243.27754	0.5
296.77008	0.4
299.09222	0.7
327.12128	0.5
345.06201	0.5
345.15286	15.8
345.19397	1.0
350.67563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2039
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
69.07078	1.5
70.07671	3.2
70.08073	2.6
71.08608	1.3
81.07074	1.3
87.46508	1.1
91.05495	1.4
91.87238	1.0
93.07031	1.2
95.08581	1.9
104.99268	4.5
109.10188	1.4
126.16637	1.1
155.13992	1.2
160.88725	1.1
170.02544	1.1
190.15680	1.2
262.98111	3.7
330.03537	1.8
345.06122	4.8
345.20392	100.0
346.20871	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03428	0.5
60.83008	0.3
65.03938	0.6
65.79401	0.2
67.05502	0.7
69.03428	0.5
69.68374	1.8
71.05000	0.4
79.05479	1.1
79.79410	0.2
81.07063	1.2
83.05009	0.4
85.02901	0.7
85.06548	0.5
85.72486	0.3
91.05496	1.8
93.07038	1.2
94.04189	2.7
95.04970	0.5
95.08611	0.8
97.06556	0.3
98.71116	0.3
99.57536	0.3
103.05467	0.7
105.07056	0.8
107.04967	0.5
107.08614	0.8
109.06518	0.9
111.04474	0.4
115.05446	1.6
119.04975	0.3
119.08518	0.4
121.06496	1.0
121.10174	0.3
122.03658	8.6
125.05990	0.7
126.68465	0.3
127.05101	0.6
131.04935	1.5
133.02856	0.6
133.06586	0.4
135.04431	0.5
137.05991	100.0
138.06319	1.1
143.04958	1.4
146.03653	0.5
147.04437	0.5
147.08029	0.4
147.11664	0.4
149.05994	1.0
149.13261	1.1
151.03941	0.7
151.07541	0.8
153.05421	0.5
159.04459	0.7
160.05234	0.7
161.05984	2.3
162.06883	0.3
163.07547	0.6
165.05659	0.3
165.06979	1.5
165.09154	0.6
165.12769	0.3
166.07826	0.4
175.07581	2.7
176.04764	0.8
177.05511	0.4
177.07028	0.5
178.07806	0.6
179.08513	1.4
181.06519	0.5
181.77486	0.3
182.07349	0.5
189.07059	0.6
189.12856	0.3
190.06331	0.4
191.07043	4.1
193.06514	1.1
194.07335	0.6
195.08058	0.7
196.05064	0.3
197.05962	0.4
203.07066	1.5
205.06610	0.9
206.07356	0.6
207.08130	1.2
210.06764	1.3
211.07564	0.6
219.08038	0.3
221.06036	2.2
221.08005	0.6
222.06857	0.7
223.07529	0.7
224.08308	0.9
225.09157	1.4
227.07127	0.7
233.06053	0.8
234.06873	0.9
235.07497	1.4
236.08391	0.3
237.09120	2.0
238.06239	0.7
239.07042	0.4
239.10733	1.1
241.08681	0.4
249.09212	1.3
250.06331	0.5
251.07079	1.3
252.07863	0.9
253.08603	2.8
255.06598	0.8
255.10197	0.3
262.06326	0.3
265.08701	3.0
267.10217	2.7
273.11264	0.4
277.08679	2.1
279.06580	0.4
285.11246	3.6
294.08881	1.8
295.09689	1.1
297.11292	2.4
299.12845	0.8
309.11261	4.0
327.12320	1.0
334.18448	0.4
345.13318	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80827	0.4
53.03948	0.4
56.96558	1.3
57.03424	0.4
61.02916	0.7
67.05488	0.5
69.03426	1.8
70.06570	1.5
71.56313	0.4
72.08136	0.4
79.05474	0.5
81.03410	0.9
81.04527	0.6
81.07021	0.6
85.02907	3.5
86.09697	0.6
91.05468	1.4
93.07021	0.8
97.02906	1.6
98.97582	2.9
105.03395	1.0
105.07024	0.7
107.04951	1.5
109.02870	0.5
109.06499	0.5
110.07111	0.4
115.05459	0.4
116.98608	0.8
118.58251	0.3
120.42346	0.5
121.02859	2.3
121.06493	0.5
122.03625	1.3
123.04439	0.5
127.03906	1.1
131.04919	0.8
137.05975	17.8
147.04414	1.0
148.04744	0.7
149.05920	0.4
158.99702	1.3
161.05954	1.3
161.96805	0.3
163.03917	0.4
163.07552	0.4
165.05507	0.7
165.06883	0.3
165.08957	1.1
169.84459	0.3
175.07501	0.7
177.00688	0.4
181.06360	0.4
183.06412	0.6
183.09926	1.4
183.11333	0.8
191.07021	1.0
193.08565	0.5
197.30634	0.4
203.05321	1.6
219.01680	0.7
233.06175	0.4
237.02824	0.8
239.10880	0.4
265.08588	0.7
267.10178	0.6
268.05884	0.4
281.09103	0.5
285.11353	1.0
287.11038	0.8
297.11551	0.4
309.11337	0.8
317.09048	0.8
319.28873	0.4
327.09515	0.8
327.13828	1.0
335.10202	1.2
345.11481	5.6
345.15182	100.0
346.15546	1.6
355.58313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32026	7.8
55.05505	25.5
57.03423	12.0
57.07077	16.5
67.05521	68.0
69.07062	19.4
70.06606	11.7
71.04639	8.0
71.05004	46.2
71.08627	11.7
71.57402	8.2
79.05492	28.3
81.07058	65.6
83.08606	15.4
84.10538	8.1
88.07654	16.0
91.05478	34.9
93.07056	46.8
95.08607	33.0
97.10188	9.3
104.99271	16.6
105.07024	21.7
107.08566	18.5
109.10140	52.5
119.08602	10.5
121.10140	22.7
123.11716	13.5
133.10136	22.2
135.11671	16.6
139.11131	10.8
149.13281	20.7
155.10709	16.5
155.14310	15.1
166.27675	9.0
173.11743	57.9
187.13431	11.1
195.13850	22.1
277.21622	23.7
291.23129	13.0
295.22504	8.9
344.18573	31.9
344.25711	100.0
344.31564	19.8
344.37906	36.5
345.20294	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16442	0.9
51.86963	0.8
56.96566	5.5
57.03434	1.2
61.80970	0.8
69.03417	2.6
70.72312	1.0
70.72672	1.8
71.95237	1.4
73.02926	1.7
74.93163	1.0
82.43538	0.9
85.02906	4.7
85.19315	1.0
94.30013	0.8
97.02897	2.6
98.97593	30.0
101.00880	1.9
110.97556	1.7
116.98631	11.5
119.01924	2.4
127.03897	2.1
129.77422	1.1
131.01973	1.1
134.99701	2.1
140.00142	0.9
143.01860	1.3
154.93301	1.0
155.01926	1.6
158.99850	2.4
161.03085	1.3
172.94315	1.2
177.00977	9.7
182.99913	3.3
183.05014	1.0
190.95372	1.1
197.03047	0.8
201.00938	16.7
205.00529	1.8
216.98663	0.9
219.02019	100.0
220.02150	3.1
221.01781	1.1
227.02577	7.0
232.96379	2.5
238.95563	2.4
242.03622	3.5
243.02032	3.9
250.97543	1.2
255.01988	1.4
256.97415	11.1
261.00043	1.4
261.02969	7.7
262.03305	1.3
263.02808	1.6
264.07648	2.0
267.02005	4.1
273.03082	1.6
274.97595	1.6
279.98120	1.2
280.96817	3.0
283.00049	1.5
284.99908	2.3
285.03119	3.4
288.92065	1.3
298.97797	39.6
301.01419	1.3
303.00992	1.9
303.04132	17.9
303.98154	1.0
310.44482	1.1
310.95074	1.0
312.46228	1.1
318.95038	3.1
319.45111	1.0
319.95010	1.2
321.05060	1.9
321.99411	7.5
339.06497	1.9
345.01810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1156
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
50.09164	0.8
53.03957	1.1
56.96572	2.0
61.02902	1.7
69.03413	3.5
71.54453	1.0
73.02898	1.1
79.05470	1.0
80.46571	0.9
81.03430	1.7
81.07051	2.1
84.08157	0.9
85.02905	6.0
87.04466	1.0
91.05478	2.2
93.07059	0.9
94.04189	3.0
97.02887	3.4
98.97591	11.1
99.04382	0.8
105.06991	2.0
105.39989	0.9
107.04969	4.0
109.02831	1.5
109.06500	1.8
115.05473	2.1
116.98629	3.3
119.04945	0.9
121.02842	1.8
121.06520	1.8
122.03674	6.9
127.03930	1.6
128.98579	1.1
131.04926	2.3
132.04480	1.5
133.02866	1.2
133.06499	1.5
137.02327	1.7
137.05977	100.0
138.06355	1.4
142.18950	0.9
143.00034	0.9
143.04936	1.4
145.04962	1.3
147.04420	2.8
148.80090	1.0
149.05975	2.0
155.44751	0.9
158.99614	2.5
161.05980	8.0
163.07474	0.9
165.05450	1.7
165.06944	1.7
175.07576	2.7
177.00703	1.7
178.07826	1.6
179.08536	1.8
182.07375	1.6
183.09911	1.0
183.11385	1.0
189.07164	0.9
191.07019	4.4
193.08629	1.6
197.59358	0.9
203.05298	2.3
203.07057	1.8
205.06572	1.4
207.08165	0.9
210.06638	1.1
215.05945	2.7
219.01826	1.0
221.06013	1.6
221.08093	1.3
222.06882	0.8
222.42064	0.9
223.07559	1.2
225.09178	2.1
234.06709	1.2
235.07513	1.5
235.41675	0.9
237.09204	1.3
238.06334	0.9
239.10817	1.0
240.07533	3.0
241.07146	1.0
249.09142	1.3
251.07028	0.8
252.07707	1.5
253.08572	2.4
259.12021	1.0
265.08533	3.5
267.10138	3.0
273.09363	1.3
277.08566	3.1
285.11206	4.0
287.10974	11.7
294.08911	1.2
295.09781	1.5
297.11133	2.0
309.07910	1.1
309.11111	3.8
317.09006	2.0
330.52005	0.8
335.10217	6.2
345.06180	1.7
345.11505	73.8
345.15210	83.6
346.11850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01873	1.6
55.05532	1.0
56.96561	5.7
57.03433	2.9
59.04995	1.1
61.02938	4.5
65.03923	1.0
69.03436	11.4
69.07073	1.9
69.42870	7.2
70.06584	1.7
71.05013	1.7
72.08159	2.9
73.02925	3.6
81.03429	5.1
81.07061	1.8
83.04974	1.5
83.09777	1.0
84.96027	0.9
85.02910	21.3
86.09732	3.2
87.04475	3.0
91.03980	1.4
91.05495	1.4
92.04984	0.8
94.06599	0.9
97.02893	8.1
98.97583	10.9
99.04502	1.8
105.03394	1.2
107.04972	2.6
109.02927	3.0
110.97576	2.1
115.05463	0.9
116.98668	3.0
119.05173	1.6
119.06063	19.0
120.04496	4.0
121.02873	1.0
122.03651	1.4
123.04488	1.6
123.96975	0.9
125.96921	0.9
127.03917	5.0
128.98637	1.4
133.00223	0.9
133.07780	0.8
135.04570	0.9
137.06023	21.7
137.07127	4.9
145.05014	2.2
147.04488	1.7
147.05490	5.2
148.03976	3.5
148.06314	27.4
149.07089	16.7
149.08147	1.2
154.03836	0.9
158.99722	2.7
161.05998	1.2
163.04065	2.6
165.06606	86.4
166.07425	3.8
170.99721	1.2
177.00758	2.2
183.06245	3.1
183.07657	52.2
185.16550	1.1
190.04932	1.3
191.07091	1.5
203.05641	1.4
212.06302	5.7
219.01749	4.4
237.02672	4.2
242.03465	2.5
255.08223	1.0
260.04520	1.8
264.08826	2.6
267.10107	1.1
327.12048	1.0
330.03943	1.0
345.12866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04773	4.5
51.87064	4.7
53.03940	16.5
55.01866	8.3
55.05515	66.4
56.96561	20.2
57.03439	23.6
61.02922	5.0
65.03930	8.6
67.05179	6.7
67.05508	77.9
69.03416	13.1
69.07074	31.6
69.80029	10.9
69.80453	18.2
71.04990	23.2
79.05499	84.6
81.01163	4.4
81.03418	42.0
81.07053	56.6
82.06583	5.1
82.66000	5.3
83.04964	14.5
83.08630	25.0
84.10108	4.3
85.02906	9.8
85.06552	11.5
86.31660	5.1
88.07632	6.0
91.05477	45.7
93.07046	100.0
94.84523	4.4
95.04994	29.1
95.08604	49.7
95.70430	4.6
97.02921	7.5
97.06520	19.2
97.10178	53.5
98.21412	8.2
98.97580	13.3
99.08044	8.6
105.07025	28.0
107.04954	18.5
107.08615	35.8
109.06508	19.7
109.10162	28.5
111.08096	13.2
113.05993	13.2
117.07008	18.2
119.08548	25.1
121.06556	6.4
121.10150	30.3
123.08082	28.2
125.09627	38.0
129.07002	11.5
131.08577	11.2
133.10097	20.5
135.08054	13.6
135.11693	6.0
137.05943	4.9
137.09613	10.4
139.11226	6.0
145.10101	13.5
147.04451	6.4
147.11694	7.5
149.09616	6.1
153.09064	6.3
154.12215	8.0
155.10706	5.8
157.10126	6.9
159.11699	12.8
171.10190	5.8
173.11778	11.6
173.13287	8.3
185.13329	6.8
189.11258	36.7
202.73216	5.6
203.14423	5.3
205.12328	7.4
217.15849	6.4
221.15343	11.1
223.13301	29.9
248.83049	5.3
258.11130	5.1
263.20132	6.4
267.08948	9.2
268.09354	6.8
273.18527	18.9
285.10175	13.8
286.10300	10.2
291.19540	28.2
304.03693	5.3
309.20703	6.9
344.24158	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.8
55.01868	5.3
55.05513	63.9
56.96554	6.5
57.03448	16.8
67.05505	39.7
69.03425	11.5
69.07069	19.0
69.38105	25.9
71.05002	5.6
79.04324	2.8
79.05498	85.6
81.03413	17.7
81.07065	28.7
83.04979	7.9
83.08624	33.2
85.02918	5.7
85.06482	3.5
91.05490	24.1
93.07047	100.0
95.04972	10.9
95.08607	38.8
96.08946	3.5
97.02931	5.4
97.10176	71.9
98.97581	9.5
105.04512	4.3
105.07024	11.2
107.05003	3.1
107.08598	26.6
109.06507	4.3
109.10165	7.9
119.08569	10.5
121.10147	57.1
122.10503	3.7
123.08093	25.4
125.09628	52.5
131.08524	4.8
133.10118	3.6
135.08057	11.6
135.11737	4.0
137.09572	6.3
139.11115	3.6
141.09129	13.2
143.08546	3.5
143.10699	3.7
145.10168	7.6
147.04427	4.7
153.09073	5.0
158.99619	3.5
165.09201	4.0
171.10172	7.5
177.05449	4.7
189.11232	70.4
217.15845	4.7
221.15398	18.4
223.13283	19.9
273.18451	8.4
291.19510	21.4
309.20642	24.4
320.15558	9.3
344.16409	19.2
345.20239	4.8
359.87405	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26570	3.2
53.03942	7.7
54.74950	3.3
55.01873	4.2
55.05516	21.8
57.03436	24.0
60.53787	3.3
67.05505	51.3
69.03431	7.2
69.07072	88.1
70.09782	10.1
70.10196	5.4
71.04993	34.6
79.05494	52.3
81.03426	38.1
81.07056	65.3
83.04978	11.0
83.08618	9.5
85.02921	4.2
85.06544	9.6
86.15882	3.4
91.05489	36.4
93.02775	3.9
93.07047	47.1
95.04975	51.3
95.08627	30.2
97.06537	100.0
97.10159	7.5
98.97581	6.3
99.08087	11.3
103.05484	5.4
105.07040	29.7
107.04963	12.7
107.08604	29.1
109.06535	19.9
109.10175	16.1
111.08083	5.9
113.05994	7.6
115.07581	50.5
117.07014	17.9
119.08573	24.1
121.06537	12.7
121.10171	24.3
123.08051	7.1
123.11714	4.5
127.07606	4.2
129.07011	9.6
131.08575	22.8
133.06506	4.6
133.10124	18.8
135.08067	9.6
135.11700	12.2
141.13608	3.7
143.08571	9.7
145.10144	13.7
147.08025	4.4
147.11659	8.4
149.09653	7.0
149.13345	7.5
153.09135	3.3
155.08466	3.6
157.10211	8.5
159.11678	21.4
161.09642	7.5
163.11137	5.9
165.09155	3.7
171.11697	7.0
173.13278	5.2
175.11163	5.0
177.12717	6.0
185.13229	4.1
187.11209	5.2
191.14265	5.0
195.13803	10.3
201.12784	5.0
217.15999	4.8
219.13866	4.9
223.13258	14.5
227.17673	3.3
249.14638	3.6
255.17336	4.6
263.20007	5.8
273.18503	16.7
285.10367	3.4
291.19440	14.1
337.64459	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.65174	0.4
55.01865	0.8
56.96531	0.6
57.03437	0.8
61.02917	1.4
65.03928	0.5
69.03423	3.3
71.05004	0.7
71.38439	0.5
71.38784	0.6
73.02900	1.0
81.03422	1.3
81.66164	0.4
83.04861	0.5
85.02913	17.0
87.04471	0.6
91.03934	0.6
91.05486	5.0
97.02901	3.8
98.97580	1.1
99.04479	0.7
107.04900	0.4
108.08133	0.6
109.02876	1.6
119.04948	16.1
123.04449	2.9
124.03994	0.6
127.03933	3.1
133.21770	0.4
137.05934	0.5
139.03905	0.6
145.04987	3.9
147.04414	100.0
148.04785	0.6
163.06047	0.6
165.05486	57.5
166.75275	0.5
173.89333	0.5
180.08705	2.7
180.10104	0.5
182.08150	1.4
202.08716	0.8
260.09198	0.4
291.08984	0.5
308.11453	0.6
309.09628	0.8
326.12244	0.9
344.13623	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	344.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64265	0.6
53.03936	0.8
56.96555	0.9
57.03430	1.0
59.05005	48.8
61.02924	1.6
69.03427	3.4
69.99188	2.2
70.06593	0.6
71.04992	1.0
77.06046	2.4
81.03419	1.5
85.02908	14.5
86.09708	0.7
89.06039	16.3
91.03956	0.6
97.02898	3.8
97.06474	0.6
98.21478	0.7
98.97598	1.8
99.04482	0.9
103.07588	51.3
105.03391	1.2
107.06077	1.5
109.02883	1.4
119.04952	1.4
119.09863	0.6
121.08591	1.1
122.06059	0.7
123.04446	0.6
123.11729	0.6
123.93521	0.6
125.01686	0.6
127.03181	1.1
127.03954	1.8
133.08618	7.8
137.05984	1.2
145.04990	2.2
146.06029	1.3
147.04425	8.7
147.10201	0.9
155.47618	0.7
163.03871	0.6
164.07109	7.4
165.05516	4.3
165.11241	100.0
166.11572	0.9
169.04324	1.2
177.00653	0.6
182.02650	0.6
182.08020	1.0
182.11777	0.7
183.82834	0.5
223.08948	0.7
228.11633	0.6
241.10077	1.7
300.17471	3.5
315.81638	0.5
326.12265	1.0
344.13715	3.4
345.11407	1.6
345.15402	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
54.41031	2.4
55.01865	6.6
55.05514	53.8
56.96549	4.6
57.03422	7.4
57.07074	4.9
65.03939	3.4
67.05505	100.0
69.03420	13.5
69.07067	32.1
70.04234	2.9
71.01352	5.0
71.05005	15.5
71.56643	3.0
71.56982	3.2
79.05494	52.6
81.03416	16.7
81.07059	53.0
83.04978	12.4
83.08616	27.7
85.02882	3.6
85.06552	4.0
87.69545	3.1
91.05485	45.7
93.07053	53.3
95.04977	23.1
95.08619	37.8
97.06517	6.8
97.10165	39.9
98.97554	3.3
104.99250	3.3
105.07040	27.1
107.08595	43.2
109.06514	11.0
109.10159	24.4
117.07021	11.4
119.08599	19.7
121.06505	4.0
121.10138	20.7
123.08053	10.9
123.11693	4.1
125.09632	31.6
129.06996	4.7
131.08574	8.2
133.10114	10.1
135.08057	5.0
137.09630	8.2
138.84103	2.7
139.11182	4.9
143.08525	4.2
145.10086	7.8
147.11691	9.3
149.09639	6.4
153.09077	3.2
159.11707	3.4
171.10056	3.6
171.11610	3.3
173.11746	8.3
186.30867	2.6
189.11234	43.8
193.12344	3.2
194.06709	2.6
223.13319	3.3
257.19205	5.1
262.98093	3.0
274.18350	2.5
275.20059	25.6
344.18680	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07273	0.6
53.03941	0.7
53.91316	0.6
55.01870	1.3
56.96556	1.3
57.03436	1.2
59.04974	0.6
60.04511	0.8
61.02914	2.1
65.03957	0.5
69.03429	4.3
69.72478	0.8
69.72902	2.2
70.06586	2.7
73.02906	1.3
76.62150	0.6
78.62233	0.6
79.05492	0.8
80.64188	0.6
81.03417	2.6
84.04506	0.7
84.08133	0.5
85.02911	20.5
86.09704	1.5
91.05482	5.9
91.64091	0.7
94.06579	1.4
97.02889	4.9
98.97569	1.4
99.04445	1.2
105.07022	2.1
106.07381	1.4
107.04955	1.0
107.58902	0.5
108.08114	1.2
109.02888	1.8
116.98685	1.0
119.04958	21.1
120.04453	0.8
123.04426	2.3
124.03934	0.9
124.07563	0.8
127.03930	4.4
133.06485	3.4
134.06819	3.1
136.07570	2.8
137.05994	3.7
138.05458	0.7
138.06351	2.8
139.03935	1.0
145.04993	3.5
145.06020	0.5
147.04417	100.0
148.04787	0.9
148.07648	1.3
154.08588	0.8
163.03915	0.6
164.01686	1.1
164.07088	1.6
165.05484	55.3
165.09175	1.3
166.09598	1.3
174.09090	0.8
178.08629	0.9
180.03699	0.7
180.08749	1.4
182.08150	2.9
190.08655	0.6
196.15079	0.7
202.08659	2.8
251.06728	0.7
252.39200	0.7
260.09137	1.6
268.08340	0.7
270.92615	0.8
278.03729	0.6
298.12878	1.4
308.11331	2.3
309.09546	0.8
314.92822	0.6
316.14645	0.8
318.25110	0.6
326.12375	2.6
343.99750	0.7
344.13666	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	344.08
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01876	1.7
56.96564	1.4
57.03438	3.3
61.02935	5.6
67.05508	1.1
69.03431	11.2
69.03780	1.0
69.91850	2.6
69.92221	1.1
70.06595	10.5
71.05006	2.8
73.02921	2.5
78.03468	1.4
81.03420	7.5
84.04510	1.3
85.02906	36.0
86.09716	2.0
87.04482	2.0
89.03943	0.7
91.03955	2.0
91.05480	3.3
93.07098	0.7
94.06570	1.2
95.04976	0.7
97.02897	10.9
98.97594	3.9
99.04465	2.4
103.03931	0.8
104.18202	0.6
105.03389	1.1
105.06986	1.3
106.02917	8.3
107.04975	2.3
107.45605	0.6
108.08148	1.4
109.02882	5.2
115.03922	0.7
116.07110	1.0
116.98666	0.7
117.03354	0.8
118.06587	0.7
119.04933	11.1
120.04462	3.2
123.04454	1.5
124.03951	13.0
124.07629	0.9
127.03916	8.0
130.06468	0.7
133.06506	0.8
134.06856	1.7
136.07642	0.9
137.05998	1.8
138.06346	0.8
139.03923	1.1
144.27824	0.6
145.04932	6.9
146.06001	0.9
146.09648	0.6
147.04416	61.4
158.99765	0.7
162.05542	1.7
163.03912	2.8
163.05960	1.1
164.01656	95.6
164.07050	1.7
164.10739	0.7
165.02052	0.9
165.05481	35.6
165.09154	1.2
166.09537	0.9
174.09229	1.0
180.08723	0.9
182.02705	100.0
182.08147	2.3
183.03040	0.8
185.09200	2.1
202.08606	1.8
213.08655	1.8
229.15402	1.6
232.06306	0.6
232.09509	1.0
243.05913	0.7
250.07124	3.2
260.09366	1.2
268.08191	6.6
308.11127	2.1
321.10013	0.7
326.12302	2.8
344.07974	3.7
344.13669	11.4
344.17856	1.4
345.15201	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01869	5.9
55.05303	5.6
55.05517	59.0
56.96566	22.6
57.03443	13.7
57.07086	10.6
61.02933	5.5
67.05506	78.5
69.03425	13.5
69.07073	87.2
71.05000	49.1
71.54736	6.4
79.05489	45.2
81.03423	7.3
81.07063	100.0
82.58656	4.8
83.04973	11.9
83.08619	51.0
85.02904	10.8
85.06542	6.2
91.05490	48.1
93.07043	78.3
94.74545	4.2
95.04974	24.0
95.08057	7.7
95.08614	89.2
97.02912	5.0
97.06547	25.1
97.10172	43.8
98.97590	28.2
99.04456	14.4
99.08119	8.8
105.07034	47.0
107.04922	5.5
107.08598	53.8
109.06521	13.0
109.10158	45.9
110.10528	7.1
111.04508	5.8
111.08095	11.5
111.11702	15.2
116.98653	6.1
117.07007	13.5
118.57453	4.8
119.08595	38.1
121.06503	10.7
121.10156	48.5
122.10478	6.2
123.08074	15.2
123.11705	14.2
125.05989	4.8
125.09652	10.0
128.38934	4.7
131.08589	18.9
133.10139	36.6
135.08084	12.3
135.11717	41.2
137.05997	7.6
137.09587	10.9
137.13226	11.9
139.11208	10.0
140.05762	4.3
142.07747	5.2
143.08577	6.6
145.10112	23.7
147.04459	9.0
147.11682	20.8
148.29079	4.9
149.13272	12.9
151.07587	7.1
151.11217	6.3
151.14873	5.6
153.12830	7.8
155.10725	5.8
157.10156	7.1
158.99641	6.1
159.11723	15.2
161.09651	5.7
161.13266	14.5
163.11226	14.2
165.12830	9.0
175.11179	6.8
175.14818	6.7
179.14426	8.1
183.21565	6.3
193.19514	4.9
194.15337	6.3
195.13844	7.1
217.19536	32.8
227.16515	17.0
235.20549	25.1
238.14496	7.7
239.17896	6.0
253.21680	8.7
257.10553	5.7
259.11938	5.6
261.10071	5.3
275.19995	29.8
285.10226	14.6
297.06595	5.1
307.22595	8.9
312.17331	5.8
343.22699	21.1
352.30338	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	5.2
55.01850	5.2
55.05531	16.2
56.33284	3.1
56.96551	3.3
57.03427	5.7
57.07060	6.5
59.04986	4.4
60.97892	2.5
67.05521	22.9
69.03409	10.1
69.07058	8.8
70.05402	11.5
71.05003	20.9
71.08614	2.9
74.69175	3.0
79.05501	20.6
81.03410	4.1
81.06637	3.3
81.07062	28.8
83.04977	4.6
85.06495	2.8
88.06523	2.6
91.05482	26.1
93.06487	3.9
93.07047	65.0
95.04978	47.7
95.08613	73.7
97.06509	11.4
98.97548	3.5
105.07034	59.2
107.08600	42.2
109.06489	11.6
109.10167	6.9
115.05418	3.7
117.07039	27.2
119.08610	22.6
121.06490	11.4
121.10143	15.4
123.08084	17.2
125.05982	3.2
128.06197	4.5
129.07021	4.9
130.07776	12.6
131.08571	10.9
133.06505	3.0
133.10147	15.9
135.08057	24.7
135.11687	16.3
137.09607	5.9
142.07784	4.4
143.08571	8.0
145.09084	4.8
145.10135	70.0
147.08034	10.5
147.11604	5.2
149.09552	5.3
151.07561	34.4
153.09129	4.5
157.10103	6.5
159.11679	5.4
161.09604	9.3
161.13199	6.7
163.11203	49.9
165.09163	14.9
171.11646	4.7
173.09607	3.3
173.13243	5.8
175.11195	5.4
177.09048	5.4
179.07082	5.9
179.08563	3.0
180.09274	2.8
181.12093	3.0
185.13284	3.0
187.11081	6.6
189.12694	9.6
197.13252	3.2
203.14272	8.1
207.13786	6.0
209.15308	4.1
215.14226	4.2
221.15381	21.5
241.15718	2.9
253.07515	2.9
263.16351	7.5
269.15302	6.4
286.19174	4.9
307.20364	3.5
307.26297	3.6
325.21469	8.9
343.18701	19.5
343.22614	100.0
361.72537	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	5.5
55.01865	3.9
55.05514	14.3
55.23077	1.7
57.03427	5.5
57.07065	7.0
59.04990	4.5
67.05224	1.7
67.05511	19.8
69.03441	9.6
69.07056	7.3
71.04996	18.7
78.37782	1.7
79.05492	18.5
81.03412	3.1
81.07059	23.3
83.04964	6.1
85.06535	4.6
91.05489	25.2
93.07046	53.0
95.04973	43.3
95.08610	64.6
97.06551	14.9
97.10165	2.1
98.21496	4.9
99.56258	1.9
105.07037	62.1
107.04935	1.9
107.08597	37.8
109.06540	12.8
109.10136	4.1
111.77702	2.3
115.05457	5.7
117.07031	23.9
119.08587	27.4
121.06502	12.1
121.10141	14.5
122.70297	2.2
123.08057	22.7
125.05942	4.1
125.09618	2.5
128.06194	3.2
129.07019	4.0
130.07773	9.2
131.08571	8.2
133.06494	6.8
133.10124	12.2
135.08061	16.1
135.11705	13.1
137.06015	2.2
137.09621	3.0
142.07806	3.2
143.08583	7.2
144.09283	2.5
145.10127	67.3
147.08051	14.2
147.11716	5.9
149.09616	3.7
151.07562	42.7
153.09087	2.2
155.08575	3.1
155.10678	2.2
156.09407	4.4
157.10132	7.4
159.08102	3.3
159.11673	8.6
161.09650	6.4
161.13283	2.5
163.11194	52.3
165.09138	11.9
167.08511	2.7
169.10126	3.7
171.11748	4.5
173.09618	4.0
173.13287	4.0
175.11211	5.0
177.09053	4.2
178.22578	2.0
179.07053	2.8
179.08569	1.9
181.10193	2.3
181.12250	3.8
183.11690	2.3
185.13257	2.3
187.11247	3.9
189.09048	2.8
189.12746	7.8
191.10724	2.2
191.14375	3.7
195.11685	2.1
197.13333	3.8
203.14339	6.6
207.13744	5.0
209.15392	4.8
215.14354	3.0
217.12233	1.9
221.15381	27.9
225.12779	1.9
227.14273	2.3
233.15463	3.8
241.15852	2.6
247.16974	3.2
263.16458	7.8
269.15417	2.3
286.19327	5.5
287.16290	2.9
325.21561	10.8
343.22696	100.0
344.23175	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03930	3.9
55.01875	7.1
55.05518	15.5
55.18806	1.1
55.78505	1.2
56.96576	1.8
57.03445	7.5
57.07087	6.4
59.04995	3.4
60.72141	1.1
65.03936	1.7
67.05508	26.1
69.03424	11.3
69.07069	7.1
71.04996	18.7
79.05492	19.1
81.03396	2.1
81.07065	27.0
83.04986	5.4
83.08619	3.4
85.06537	4.5
90.94552	1.5
91.05481	31.0
91.06023	2.5
93.07047	65.8
95.04371	2.6
95.04977	51.2
95.08611	73.4
97.06539	14.5
103.05476	1.9
105.07037	65.9
105.53497	1.2
107.04946	3.3
107.08601	43.3
107.09313	2.9
109.06538	12.5
109.10166	5.5
111.08038	2.9
115.05437	6.3
117.07018	24.1
119.08590	27.8
121.06501	13.3
121.10156	15.5
122.07268	2.2
123.08073	21.7
123.11780	1.7
125.05978	2.5
125.09654	1.3
128.06216	3.6
129.07014	7.0
130.07777	15.5
131.08603	10.0
133.06480	5.1
133.10124	16.6
135.08070	20.5
135.11722	12.8
137.06012	3.3
137.09601	4.8
141.06987	3.3
142.07800	4.5
143.08565	10.4
144.09375	2.6
145.06483	1.7
145.10132	73.8
147.08063	13.5
147.11725	6.2
149.09630	7.6
151.07549	40.0
151.11153	1.8
153.09116	2.6
155.08563	3.4
156.09380	3.5
157.10138	13.5
157.14307	1.3
159.08075	4.2
159.11687	9.9
161.09691	7.8
161.13298	4.4
162.87138	1.2
163.07574	1.8
163.11192	49.7
165.09116	13.1
167.08557	1.4
169.10152	5.0
170.10959	1.4
171.11702	5.5
173.09637	3.3
173.13274	2.7
174.10402	1.4
175.11192	4.9
175.14735	1.4
175.59077	1.3
177.09129	4.6
179.07030	3.1
179.10698	1.6
181.10139	2.4
181.12234	3.7
183.11734	4.7
185.13255	2.2
187.11230	3.2
189.09125	1.7
189.12741	9.9
191.10611	1.6
191.14293	3.7
192.49907	1.4
193.10033	1.8
195.11832	1.5
197.09819	1.5
197.13293	3.0
199.11264	1.9
201.12859	1.4
203.14339	6.6
207.10114	2.9
207.12065	1.3
207.13811	6.1
209.13336	2.7
209.15219	2.4
213.12822	1.3
215.14319	3.2
217.12212	3.2
221.13354	1.6
221.15369	29.8
223.14864	2.0
225.16283	2.2
227.14088	2.0
233.15355	3.1
239.18013	1.5
240.23300	1.5
241.15866	3.3
245.15384	1.6
247.16826	2.1
259.17050	2.4
263.16403	6.0
269.15240	3.1
286.19168	3.4
287.16672	1.8
287.19897	1.6
299.20062	1.4
307.20532	3.0
325.21606	12.6
343.22693	100.0
344.23123	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	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
54.58885	2.1
55.01874	2.9
55.05505	4.0
57.07076	2.6
67.05504	6.2
69.03431	3.5
69.07066	2.1
70.06592	2.3
71.05001	2.1
71.54222	2.8
78.48376	1.7
79.05498	13.8
81.07059	20.0
83.04963	2.1
85.02910	8.3
89.06034	5.3
91.05482	8.3
91.47633	1.7
93.07050	23.8
95.04956	4.0
95.08608	2.6
105.07061	9.5
107.07077	7.5
107.08614	17.2
108.07410	2.2
109.06532	8.9
109.10120	2.1
117.07027	5.8
119.08629	10.3
121.10158	25.6
127.03937	2.0
127.07555	5.2
130.07790	2.7
132.08130	4.0
135.08063	6.3
135.11673	13.6
137.05989	3.6
145.10126	37.4
146.19751	2.1
151.11182	14.0
160.11211	2.6
163.11194	89.6
163.13208	12.2
164.13658	14.2
172.11217	2.8
174.12845	2.7
181.12241	100.0
192.08472	1.7
222.09514	3.2
312.01419	2.4
343.13364	9.6
343.17270	38.0
367.51144	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
55.05513	1.4
65.03936	1.2
67.05495	1.6
69.03416	0.8
69.65981	3.9
70.06599	0.9
79.05492	5.8
81.07059	9.2
85.02918	1.0
85.06510	0.8
87.34586	0.8
91.05468	3.4
93.07051	11.1
95.04985	2.1
97.02864	1.0
105.07027	4.6
107.04977	1.2
107.08615	4.2
109.06539	5.8
109.10157	1.8
117.07001	1.7
119.08588	6.5
121.06499	0.8
121.10162	13.9
127.07570	2.9
130.07762	1.6
133.06464	1.0
135.08070	1.6
135.11703	2.1
137.05960	1.5
145.10133	21.1
148.03955	8.7
151.11166	1.1
153.05391	1.0
163.11192	100.0
166.04976	1.2
166.67133	0.8
181.08577	0.9
190.04996	1.0
255.11308	1.4
283.10843	1.3
301.11749	4.6
330.27625	0.8
343.13663	1.3
343.17310	9.3
361.23904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	8.5
55.01863	8.2
55.05517	20.9
57.03435	6.2
57.07062	7.1
59.04993	6.2
59.78586	1.9
59.91147	2.1
67.05504	22.8
67.23071	2.0
68.89440	2.1
69.03424	9.3
69.07050	6.8
70.73292	5.9
70.74015	1.8
71.04988	14.0
71.08264	2.1
79.05494	23.8
81.03416	3.0
81.07064	31.8
83.04969	8.4
83.08611	5.5
85.06553	2.6
91.05482	34.3
93.06489	3.9
93.07050	68.4
95.04974	47.3
95.08614	66.4
97.06541	14.9
103.05434	2.7
105.07035	78.2
107.04945	5.8
107.08598	48.7
109.06540	13.1
109.10145	5.6
113.37650	2.0
115.05441	5.2
117.07034	32.8
119.08582	25.6
121.06515	15.0
121.10134	16.8
123.08064	23.9
125.09605	2.6
128.06169	3.2
129.07016	5.5
130.07811	15.2
131.08553	8.7
133.06487	6.5
133.10138	13.6
135.08072	22.2
135.11676	11.9
137.05930	2.8
137.09634	3.2
142.07785	3.7
143.08562	14.0
145.10130	73.3
147.08073	12.6
147.11690	5.3
149.09621	5.3
151.07542	43.2
153.09099	2.4
155.08598	2.6
156.09305	5.7
157.10158	9.7
159.08012	2.8
159.11754	10.0
161.09654	11.6
161.13304	5.4
163.11182	59.1
165.09135	15.4
169.10106	4.7
171.11665	4.8
173.09622	5.8
175.11226	5.3
177.09134	6.3
179.07071	5.0
181.12280	3.0
183.11725	5.1
185.13200	5.7
187.11191	7.6
189.12753	11.2
191.14154	2.6
193.10168	2.7
197.13310	4.6
201.12769	3.6
203.14326	9.7
207.10139	4.1
207.13866	3.9
208.12509	2.5
209.13332	2.6
209.15358	4.6
211.14810	2.5
215.14378	5.7
221.13374	3.2
221.15379	28.9
223.14908	2.9
225.12747	2.4
233.15443	6.5
243.13808	2.4
263.16428	5.8
269.15112	3.5
277.35867	2.2
286.19376	2.6
307.20724	3.8
325.21707	12.3
343.22690	100.0
344.23093	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01868	2.7
57.03437	4.6
59.05003	2.7
61.02917	4.1
62.01690	1.5
66.22173	1.3
67.05508	1.7
69.03434	21.6
69.07076	3.1
69.96072	5.7
71.05006	3.2
71.88757	1.6
72.46437	1.2
73.02931	2.1
76.27713	1.1
79.05499	7.9
81.03425	6.1
81.07059	4.1
83.04986	2.4
83.65161	1.2
85.02908	32.2
86.09714	2.4
87.04479	2.1
91.03946	2.2
91.05486	7.5
93.07049	16.3
95.04976	4.6
95.08607	1.6
97.02911	11.5
97.06539	5.3
98.32242	1.3
99.04462	3.0
103.05462	1.5
105.07035	18.5
107.04932	3.2
107.08605	21.0
109.02895	4.9
109.06532	3.1
109.10135	1.8
117.07034	3.1
119.08588	6.5
121.06503	6.0
121.10146	100.0
123.08061	3.0
125.05965	2.2
127.03928	6.0
130.07759	2.2
133.06503	4.1
133.07501	1.5
135.08070	3.0
135.11705	26.7
137.05978	7.6
137.09634	8.6
139.07588	1.5
143.08569	1.4
145.04968	6.3
145.10129	29.5
147.04408	1.9
147.08000	1.8
149.09601	1.6
151.11226	1.6
163.07559	1.7
163.11179	48.9
164.13728	1.7
165.09161	3.1
169.06410	1.3
177.05409	1.3
181.08501	3.0
181.12239	51.0
200.10542	1.2
211.54140	1.2
311.07242	1.7
343.13809	11.3
343.17511	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	343.1237
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01865	8.8
55.05528	3.4
56.96576	9.0
57.03432	17.5
61.02936	18.6
69.03445	44.1
70.99887	4.0
71.55633	8.1
72.08143	7.0
73.02914	11.7
73.08500	4.4
75.45258	3.8
75.72298	3.4
81.03417	8.4
83.05028	4.9
85.02909	100.0
94.22195	3.6
97.02895	32.6
98.97580	6.5
99.04436	11.0
101.00912	5.0
101.02384	5.3
109.02914	6.9
112.99085	5.9
113.02387	3.7
115.02434	5.4
115.03912	6.2
118.08612	4.4
119.01922	14.7
119.08969	4.8
123.04465	3.7
127.03925	62.3
133.03426	5.4
136.93108	6.3
145.03589	3.5
145.03822	4.5
145.04973	38.5
154.94203	9.5
163.06070	5.2
169.03548	4.1
172.95227	11.0
177.54414	5.3
213.06105	5.2
215.00369	7.6
215.04085	6.1
221.53262	4.6
241.05582	4.6
245.05083	6.1
281.09995	6.4
325.08673	5.9
343.09915	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	343.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.8
55.05528	3.4
56.96576	9.0
57.03432	17.5
61.02936	18.6
69.03445	44.1
70.99887	4.0
71.55633	8.1
72.08143	7.0
73.02914	11.7
73.08500	4.4
75.45258	3.8
75.72298	3.4
81.03417	8.4
83.05028	4.9
85.02909	100.0
94.22195	3.6
97.02895	32.6
98.97580	6.5
99.04436	11.0
101.00912	5.0
101.02384	5.3
109.02914	6.9
112.99085	5.9
113.02387	3.7
115.02434	5.4
115.03912	6.2
118.08612	4.4
119.01922	14.7
119.08969	4.8
123.04465	3.7
127.03925	62.3
133.03426	5.4
136.93108	6.3
145.03589	3.5
145.03822	4.5
145.04973	38.5
154.94203	9.5
163.06070	5.2
169.03548	4.1
172.95227	11.0
177.54414	5.3
213.06105	5.2
215.00369	7.6
215.04085	6.1
221.53262	4.6
241.05582	4.6
245.05083	6.1
281.09995	6.4
325.08673	5.9
343.09915	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	343.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01863	1.8
56.96563	8.2
57.03424	3.9
61.02921	3.2
69.03434	12.8
69.07062	2.9
69.57369	5.9
70.06607	1.4
70.79979	1.0
71.05007	1.6
72.08167	1.8
73.02917	3.0
77.00650	1.0
79.05438	1.2
81.03416	4.4
83.04990	1.3
84.96046	2.3
85.02914	25.8
86.03223	1.3
87.04478	2.8
97.02884	10.6
98.20795	2.0
98.97590	26.1
99.04449	2.0
105.03392	1.3
105.07059	1.7
107.04952	7.7
109.02884	4.0
110.97572	4.7
112.99203	1.2
116.98636	8.7
119.01854	1.2
123.04447	1.5
127.03905	6.7
128.98584	3.1
133.06514	2.1
134.99675	2.3
136.07591	1.6
137.05983	2.7
138.04262	0.8
143.00172	1.2
145.04993	4.8
146.99614	1.6
147.04369	1.7
151.78304	1.0
158.69801	0.9
158.99667	4.4
161.01286	2.3
161.02837	0.9
163.03725	14.0
163.07863	1.1
164.07028	2.4
167.07108	1.4
170.99677	1.5
177.00745	2.0
181.01622	1.1
181.04732	4.5
181.08958	3.5
181.99042	1.3
182.03389	1.5
185.04227	6.3
189.00754	1.3
189.04205	1.2
197.06686	1.0
201.00766	2.1
201.03851	1.5
203.05299	2.2
219.01813	6.9
220.02216	1.6
221.05170	1.2
229.00198	1.2
237.02835	6.1
238.03296	1.3
239.02414	1.1
243.01743	1.3
243.05502	1.1
252.05791	3.5
252.55902	6.3
253.06131	1.2
256.02750	1.1
257.03467	1.3
261.02817	1.4
261.06277	1.2
261.56409	5.7
262.06766	2.3
265.03876	4.6
271.05029	1.2
281.09973	37.9
283.04947	2.9
295.05042	2.0
297.09457	23.3
308.61392	1.1
313.06015	1.1
325.05850	1.7
325.09073	17.3
343.10056	100.0
343.13394	5.1
359.06693	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	343.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05401	1.0
56.96550	3.9
63.10636	1.0
69.59608	3.2
69.59995	2.1
77.02991	1.0
83.05200	1.0
98.96933	1.7
98.97585	29.9
99.97921	1.9
116.98624	12.7
134.76920	0.9
134.99684	2.4
138.39557	0.9
174.97681	3.2
176.97404	1.7
177.00949	4.4
192.98703	1.3
198.97905	1.5
201.00948	2.4
216.95506	1.2
216.98828	12.1
217.98776	1.2
218.98549	4.1
219.02016	9.1
220.02180	3.0
221.01767	1.1
222.97922	1.6
233.30464	1.3
234.96405	2.5
234.99905	11.5
236.99452	4.6
240.98944	13.5
243.02164	1.4
252.97519	1.1
253.01120	1.3
258.96683	4.0
258.99960	39.9
259.99976	8.1
260.05331	2.0
260.99881	3.4
261.03088	10.1
264.99054	3.6
273.98703	1.6
276.97617	7.7
277.01007	14.7
278.01044	7.3
278.96774	1.8
279.00687	2.8
283.00003	99.6
284.00018	7.5
296.97916	1.3
300.97601	17.1
301.00998	100.0
302.01044	6.2
318.98691	16.9
319.02216	3.0
319.98013	1.1
324.02847	1.6
325.00989	16.4
342.98721	5.0
343.02155	66.6
344.02365	2.6
360.99319	9.8
361.03540	9.6
366.03546	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33633	3.5
53.03941	7.8
55.01867	6.2
55.05508	36.0
57.03434	17.0
57.07075	5.9
59.05009	4.2
63.17706	3.5
67.05508	100.0
69.03406	4.5
69.07071	47.9
70.23229	15.0
71.04990	33.2
71.08633	6.9
73.06548	4.5
79.05071	6.5
79.05499	81.3
81.03408	6.0
81.06590	5.9
81.07059	86.7
83.04969	9.4
83.08607	17.5
85.06529	9.5
85.51880	4.5
87.08134	6.4
91.05483	64.8
93.07053	89.1
95.04978	21.3
95.08610	58.8
96.08865	5.0
97.06537	24.6
97.10191	7.8
98.09726	5.4
98.21383	5.8
99.08093	5.0
105.07039	67.1
107.08595	35.1
109.06507	10.4
109.10172	37.8
111.90741	4.4
115.81455	3.9
117.07010	17.9
119.08579	60.2
121.06489	7.5
121.10139	57.5
123.08054	4.8
123.11699	5.7
125.09631	6.5
129.07021	4.6
131.08586	26.2
133.10135	36.8
135.08009	7.4
135.11702	23.8
137.09636	11.0
143.08589	7.3
145.10182	18.9
147.11728	20.4
149.09612	7.5
149.13271	6.5
151.11255	5.1
153.12720	7.0
154.46951	4.0
157.10124	7.4
159.11652	19.9
161.13260	12.0
163.11247	5.5
171.11603	5.1
173.11723	32.3
173.13293	10.1
175.14880	6.6
181.12199	5.4
185.13251	13.5
194.74481	3.9
203.14348	6.4
213.14835	5.4
219.17369	7.4
230.24803	5.5
235.16945	8.6
238.22372	5.5
239.18007	8.7
247.20682	4.3
257.19025	9.8
275.20181	38.3
289.21512	9.5
307.22534	6.0
342.37283	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
53.29720	2.7
54.22156	2.5
55.01885	6.0
55.05516	53.7
57.03439	4.6
59.04973	3.0
60.04538	4.2
66.17252	3.0
67.00909	2.5
67.05508	30.8
68.77246	2.6
69.03424	8.3
69.06722	4.3
69.07071	53.5
69.88601	13.6
79.05498	36.1
81.07064	30.9
83.04965	4.1
83.08627	33.3
85.06528	3.6
88.07620	3.2
91.05487	18.8
93.07053	25.7
95.04938	4.4
95.08608	13.5
97.06533	14.5
97.10172	72.5
98.21491	3.0
98.97604	5.2
105.07040	19.0
107.04978	5.2
107.08601	91.5
109.06560	4.1
109.10158	8.6
111.08092	4.2
116.98593	4.4
117.07021	5.1
119.08588	15.6
121.10165	4.4
123.11687	3.5
125.09637	81.3
129.06987	3.4
131.08551	8.1
133.10136	12.9
135.08044	17.8
135.11714	7.2
145.10126	12.3
147.11684	10.4
149.09660	9.9
153.09137	12.8
157.12219	9.1
159.11691	9.1
161.13144	4.5
163.11266	5.5
169.10178	2.6
171.10281	4.4
171.11673	4.2
173.13278	7.4
177.12814	3.4
181.12190	3.7
185.13313	3.8
203.12784	100.0
203.14207	3.8
219.17409	3.6
235.16840	3.7
238.22543	4.4
239.17880	7.6
257.19061	19.7
275.20093	57.7
289.21585	30.0
295.96045	3.8
307.22699	23.3
335.18616	3.5
343.18658	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
55.05515	55.6
56.96550	6.7
62.64359	5.8
67.05511	96.6
69.07074	38.7
71.04993	41.2
71.54584	6.7
72.01990	5.5
77.76089	5.5
79.05495	100.0
81.03410	10.0
81.07061	68.0
83.04978	10.7
83.08625	33.4
85.06496	6.9
91.05490	72.9
93.07047	81.5
95.04945	20.0
95.08585	47.6
97.06503	10.8
97.10178	41.7
98.97569	5.4
105.07039	41.1
107.04933	6.4
107.08591	75.5
109.06512	6.0
109.10171	56.8
111.08064	11.0
117.06973	12.5
119.08611	29.5
121.10149	64.8
123.11671	8.4
125.09632	41.8
129.06927	6.5
130.08623	14.8
131.08522	9.9
133.10077	35.9
135.07956	8.3
135.11685	8.9
137.09589	18.2
145.10141	21.1
147.11671	24.0
149.09627	9.3
153.12767	19.0
155.10625	10.4
173.11758	56.8
185.13242	6.3
189.09566	5.9
189.11221	24.0
203.12772	24.4
211.13261	9.6
220.32509	5.7
257.19034	7.0
275.20050	59.2
277.13837	9.2
332.88217	6.4
342.24356	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01866	3.8
55.05514	13.2
56.96553	9.2
57.03427	9.3
57.07075	2.2
59.05011	12.6
61.02918	3.9
67.05520	4.4
69.03436	25.2
69.07049	3.1
69.43912	15.5
70.06577	3.1
71.04984	5.8
72.08154	5.2
73.02928	13.2
73.06174	2.6
73.06563	40.3
75.03348	2.0
79.05502	5.5
79.18071	1.7
81.03442	11.9
81.07065	13.3
81.27509	2.0
83.04970	6.5
85.02910	60.0
85.06534	3.5
86.09664	2.4
87.04468	19.6
89.06036	25.0
91.03939	6.5
95.04967	5.0
97.02901	47.5
98.97591	26.7
99.04451	6.8
101.06022	41.1
103.07608	11.1
105.05504	11.2
107.04977	3.7
109.02878	14.8
109.06519	2.8
110.97559	3.0
113.05973	3.6
116.98636	6.3
117.09104	3.0
119.07061	21.4
123.04441	13.1
123.11710	2.6
124.03946	3.6
124.04758	5.3
127.03931	33.6
127.07552	6.0
128.98538	2.1
131.05492	3.3
131.07028	3.5
133.02866	6.5
134.03160	6.3
135.04471	2.4
135.06520	7.0
140.91357	1.8
145.04950	25.2
145.08571	5.8
151.03951	3.9
152.04276	4.4
158.99643	13.1
161.01169	2.6
162.05518	6.7
163.03905	6.7
163.09682	17.3
168.05440	8.6
177.00696	6.4
179.03407	72.0
179.06746	2.3
180.03743	100.0
180.06537	6.7
194.06953	10.3
203.07547	50.3
212.06264	3.0
212.08131	7.7
219.01974	3.3
223.58858	2.3
224.06120	2.1
225.07896	2.8
231.08734	5.7
237.02931	5.4
240.07478	2.0
245.10211	7.8
249.09688	7.7
252.11270	4.0
263.11179	7.9
270.08566	6.8
289.12906	4.6
333.13849	5.5
335.10175	2.5
342.12411	17.8
342.14505	19.8
342.64651	5.2
343.10068	3.4
343.13702	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50129	1.1
55.01868	2.2
56.96573	1.4
57.03424	1.8
57.07072	2.4
59.05008	45.3
66.91514	1.2
69.03429	5.6
69.07080	1.6
69.85014	1.2
70.06597	6.0
71.05005	1.7
71.53860	2.3
72.90019	1.2
73.02904	1.8
79.05495	1.9
81.03428	1.5
81.07047	1.8
85.02911	15.7
86.09711	8.6
87.07623	2.1
87.08118	33.1
89.06042	34.5
89.73273	1.1
91.05491	6.2
97.02898	6.5
97.64024	1.2
98.97611	1.7
105.07027	4.8
106.07320	1.6
107.04967	3.7
107.07082	100.0
109.02931	2.0
109.06499	1.4
113.54209	1.6
116.07087	7.7
119.08552	1.2
121.10105	1.4
122.03651	1.8
127.03916	2.6
131.04961	1.6
133.06468	1.3
137.05989	24.6
137.98540	1.5
138.06316	16.8
145.04976	5.0
145.12239	3.1
157.67563	1.4
160.22185	1.2
161.05981	4.5
161.45418	1.3
162.05351	8.2
162.09209	2.2
163.05948	2.4
163.11198	1.6
163.13324	28.5
175.07481	2.7
176.07851	2.1
187.07469	2.1
188.07896	2.7
192.08919	1.6
199.18105	1.9
204.08951	3.5
212.19200	1.3
220.08577	1.7
227.17546	2.1
229.34106	1.2
232.08478	2.3
248.08173	1.6
249.08691	2.6
250.09586	1.5
252.11105	3.1
253.40443	1.5
260.07681	1.8
264.10944	2.2
269.12320	4.1
280.10498	3.3
292.10461	4.5
297.10925	1.4
304.10797	1.1
312.12888	2.8
324.13095	5.4
342.14719	4.6
343.12988	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	341.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	17.5
55.01876	10.5
55.05509	22.2
56.96561	15.9
57.03446	22.3
57.07080	6.1
61.02941	9.2
65.03934	5.1
67.05510	43.5
69.03432	14.2
69.07059	20.6
69.45599	21.9
69.46011	10.7
71.04977	7.2
73.02946	5.6
79.05494	32.5
81.03421	100.0
81.07061	45.4
82.04211	4.5
83.04986	17.9
83.08629	14.2
85.02908	17.7
85.06512	6.8
91.05483	37.0
91.19060	4.2
91.83655	4.6
92.42783	4.3
93.07053	59.0
95.04978	15.0
95.08620	24.6
97.02898	11.8
97.06545	9.3
97.10175	9.1
98.97585	10.5
99.04447	7.7
100.12759	4.5
103.05424	5.7
105.03428	5.5
105.07038	23.4
107.04951	24.3
107.08588	20.0
109.02901	5.6
109.06523	12.4
109.10169	15.5
110.07306	9.9
111.08061	5.8
116.16539	4.8
117.07058	8.3
119.08591	17.9
120.88883	5.2
121.06525	15.0
121.10178	13.9
123.04420	9.7
123.08053	5.1
123.11721	5.2
125.09621	8.6
129.07008	11.4
131.08588	15.5
133.06488	12.1
133.10199	12.9
135.08055	22.4
135.11685	6.3
135.82242	4.6
137.06000	38.5
138.06792	10.3
143.08575	7.0
147.08096	11.3
149.09671	5.3
151.03958	4.5
151.07533	8.8
153.09122	18.0
159.08064	6.6
161.06004	13.3
161.09669	5.7
161.13216	6.2
173.09668	7.0
175.07640	7.8
177.00714	5.2
187.07538	22.2
189.09219	9.4
193.12152	5.0
203.08813	4.5
217.08578	21.9
225.18457	5.9
227.12723	6.2
231.08192	5.6
231.13820	8.0
249.14973	10.8
251.11230	17.0
253.12917	11.2
263.10513	4.9
267.15909	12.5
269.12543	41.6
269.17480	6.5
271.09409	5.3
271.13931	7.4
285.10233	6.3
289.17883	6.4
291.10107	16.3
311.12775	5.1
323.12915	16.3
341.10190	8.5
341.13943	28.5
341.19583	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01862	17.3
55.05516	23.1
57.03423	5.4
57.07076	21.9
58.81108	4.4
59.22372	4.3
65.22842	3.6
67.05241	3.5
67.05515	42.8
69.03404	5.2
69.07069	22.0
69.25057	8.6
69.25466	33.8
71.08617	13.6
71.43938	4.1
79.05489	18.9
81.03426	9.6
81.07060	49.0
83.04956	8.2
83.08617	17.8
85.06545	6.2
85.10171	5.3
91.05493	27.1
93.07044	24.6
95.04984	10.0
95.08618	30.2
105.07030	26.8
107.04966	8.4
107.08609	30.5
109.06521	6.3
109.10165	50.5
117.06958	6.3
119.08585	13.4
121.06488	4.9
121.10162	10.5
123.08092	6.8
123.11707	9.8
125.09624	29.8
131.08559	8.8
133.10136	60.1
135.08022	4.6
135.11674	8.3
137.09598	15.4
145.10153	11.8
149.09599	10.0
151.11192	61.4
163.11168	6.6
165.09097	5.4
165.60252	4.7
177.12701	5.4
183.13828	24.5
209.11702	5.0
257.18988	8.7
275.20074	40.7
293.21091	15.0
307.22729	20.0
334.41895	5.1
342.26901	10.2
342.30981	33.1
342.37338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95820	2.9
55.05502	11.5
56.05029	2.7
56.96555	4.0
57.03424	5.8
58.11339	2.5
61.77795	2.5
67.05511	32.3
67.26209	2.5
67.40395	2.2
69.03443	2.6
69.07078	19.4
70.12296	10.8
71.04996	3.1
77.00910	6.5
79.05491	20.8
81.03405	4.7
81.07064	43.3
83.04971	7.3
83.08617	11.8
85.02921	2.8
91.05494	19.3
93.07048	29.9
95.01961	4.4
95.04942	5.2
95.08609	21.0
97.06532	8.2
97.10156	5.6
98.97555	3.7
105.07044	14.0
107.08610	18.3
109.06514	5.2
109.10138	11.6
111.08073	3.6
117.07023	5.4
119.08569	14.7
121.10143	9.9
123.08038	3.4
123.11732	4.4
131.01935	7.5
131.08572	5.8
133.10130	14.9
135.11713	15.7
137.09576	2.8
139.11186	3.0
145.10129	8.7
147.11693	10.9
149.13269	10.1
159.11717	8.6
161.13235	3.2
163.11182	4.6
173.13208	4.7
177.12778	3.5
181.12210	12.2
195.13760	8.2
213.14917	7.9
247.14055	2.6
275.20041	12.1
300.18311	2.8
301.20218	18.0
307.22537	2.7
317.19656	9.8
319.21207	100.0
320.21344	3.3
337.18405	5.2
337.22226	56.0
342.21405	21.0
342.37360	4.9
360.23843	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40446	0.7
55.05494	1.6
57.03431	1.8
57.07091	0.9
65.03961	0.8
67.05506	2.3
69.03433	5.0
69.07076	1.4
71.54341	1.3
73.02889	0.8
79.05495	2.8
81.03409	1.7
81.07063	3.9
83.04984	0.9
85.02434	1.4
85.02908	19.2
86.53937	0.8
91.03956	0.9
91.05486	5.7
93.07044	3.7
94.04169	1.7
95.04961	1.6
95.08606	3.7
95.47482	0.8
97.02876	2.7
98.46885	0.8
99.04469	1.2
103.03953	0.9
103.05473	0.9
103.89804	0.8
105.07037	3.5
107.04935	1.9
107.08595	2.7
109.02899	2.6
109.06507	1.4
109.10156	2.7
117.07047	0.8
119.04937	1.0
119.08562	4.8
121.06517	9.3
121.10154	1.3
121.93409	0.7
122.03642	5.1
123.08046	3.2
123.11703	1.0
124.05190	1.0
125.05912	0.9
127.03900	4.0
129.06934	0.9
131.04912	3.0
131.08560	0.8
133.06493	1.6
133.10095	1.3
136.08813	1.2
137.05981	100.0
138.06757	3.4
139.07469	1.7
145.04985	2.0
147.04404	1.5
147.08067	2.6
147.11653	0.9
149.05974	5.5
149.07103	1.9
151.07549	34.1
151.11188	2.5
159.04335	1.0
161.05997	3.4
163.07603	2.0
164.08347	21.8
165.05472	1.4
165.09149	0.8
167.07146	1.7
175.07568	3.3
177.09081	1.7
179.07230	1.9
179.10678	90.9
187.07494	4.9
189.09103	3.3
202.07759	2.3
203.08583	7.0
203.10687	3.4
207.58032	0.8
207.60220	0.8
218.07164	0.9
219.08066	3.0
220.08836	3.1
221.09669	1.0
221.11627	1.2
231.08028	7.0
232.08850	2.5
235.07532	1.1
236.08321	1.1
240.07832	1.1
247.07489	3.1
248.08330	8.3
249.09131	1.6
251.10817	2.1
259.07526	2.8
260.08612	1.0
261.09149	1.2
263.10776	8.0
265.08722	1.1
276.07797	3.5
277.08539	1.8
279.10101	2.4
281.11563	0.8
283.09613	2.5
291.10150	23.9
293.08035	1.8
308.10553	2.0
309.11124	2.6
311.12708	1.8
323.12814	14.5
341.16147	51.9
358.43332	0.8
358.66156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51729	1.2
53.03936	3.0
55.01867	1.8
55.05497	1.4
56.96574	1.1
57.03418	1.5
61.02929	1.7
64.59657	1.0
66.19315	0.9
67.05502	1.7
69.03432	8.2
70.06609	2.1
70.64959	3.1
70.65290	1.0
71.05006	1.1
72.08120	1.3
79.05502	1.8
81.03411	2.8
81.07044	1.4
85.02902	11.8
87.04420	1.3
87.66132	1.2
91.05475	13.8
93.07061	7.9
95.04962	1.4
97.02895	5.3
98.97570	2.1
105.03322	1.0
105.06317	2.5
105.07034	51.0
106.02908	1.8
107.04951	1.9
107.08572	1.9
107.84578	1.1
108.05296	1.0
109.03191	2.2
115.05460	1.2
118.06507	1.6
118.07803	1.7
119.04915	1.4
119.06915	2.6
119.08605	8.9
121.06501	7.3
123.08010	1.3
123.11735	1.1
124.03955	1.4
127.03941	3.0
128.06212	2.6
129.07040	1.9
131.04933	2.9
131.08565	5.7
132.08125	2.0
133.06538	1.8
133.10139	88.6
137.05981	17.0
137.09628	2.1
143.08586	4.1
145.04938	2.1
146.07263	12.3
147.04440	2.3
151.07506	1.7
160.07588	3.0
161.08037	5.4
161.09624	100.0
163.11269	1.3
172.05312	1.5
174.06721	1.2
175.07536	1.6
179.03398	15.5
179.06953	2.5
179.10625	8.6
181.04935	1.4
187.07574	5.4
189.09163	2.1
196.12677	1.1
211.07423	1.8
217.08667	3.0
219.07930	1.7
231.08240	1.1
270.08810	1.8
279.10193	1.4
291.10083	2.9
296.10675	1.2
309.10764	2.0
323.12680	5.1
341.11813	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	341.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05505	4.0
56.96564	3.1
57.03434	1.3
59.48395	0.9
67.05491	3.5
68.47893	1.3
69.03434	2.0
69.07055	2.5
77.26976	1.0
79.05511	6.3
81.03409	2.2
81.07043	6.1
83.04990	1.5
83.08604	3.1
83.36443	1.0
85.06532	1.6
91.04900	1.4
91.05479	22.4
92.73085	1.4
93.07025	5.3
95.04969	8.6
95.08611	5.2
97.06560	1.2
103.05491	1.8
105.07027	5.6
107.04962	1.8
107.08601	3.1
109.06504	2.5
109.10153	1.9
111.08126	1.1
117.07016	1.3
119.04946	17.3
119.08588	2.6
121.06528	2.5
121.10156	2.3
122.03670	4.3
123.08059	1.4
128.06226	1.1
129.07034	2.0
131.04872	1.6
131.08571	2.0
133.06471	1.5
133.10095	1.3
134.07333	1.6
135.08018	1.6
136.05191	3.6
137.05986	63.7
142.07852	1.3
143.08549	3.5
145.10120	3.1
146.10152	1.1
147.11693	1.3
149.09671	2.1
150.06772	4.5
151.07552	100.0
157.10120	2.3
159.08069	2.4
159.11766	1.2
165.09120	34.7
167.10703	1.4
171.08008	3.3
173.09612	2.0
175.07533	1.5
179.10583	1.4
181.12222	2.5
183.11655	1.2
183.33965	1.0
186.10460	5.3
187.07515	5.1
188.08318	4.7
202.09892	16.2
203.08846	1.8
203.10663	14.3
217.12251	40.7
249.37936	1.2
269.10562	3.6
273.55637	1.1
283.09546	1.9
285.10391	1.2
287.11722	1.3
341.13535	2.6
341.17471	28.3
341.21121	3.6
341.24588	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44293	1.0
54.47380	0.9
55.01871	1.1
61.20728	0.9
65.03963	0.9
69.03421	1.0
69.45767	6.8
76.33291	0.9
78.57201	1.0
79.05478	3.0
81.07062	2.5
85.02891	1.2
91.05476	6.3
93.07067	1.1
94.04174	2.7
97.02928	1.1
98.20760	1.9
103.05475	4.2
105.07042	15.6
107.04925	2.1
109.02870	1.0
109.06476	1.6
115.05439	7.0
119.04968	3.2
119.08597	2.5
121.06512	1.1
122.03653	7.1
128.06212	1.9
129.07005	6.0
131.04929	4.3
132.05695	1.9
133.06499	13.5
137.05983	100.0
140.79486	1.1
141.07040	1.5
143.04950	1.5
143.06050	1.5
144.05714	2.9
145.06493	1.8
147.04422	4.1
147.08055	3.0
149.06007	1.5
151.07544	2.3
157.06496	2.6
158.07259	1.0
159.08041	5.4
160.05249	2.3
161.04645	1.7
161.05986	27.2
163.07571	2.8
172.05214	6.9
174.06781	3.3
175.07555	27.5
179.07118	2.1
185.06004	1.2
187.07555	27.9
187.09204	1.9
189.09155	3.7
190.07831	4.1
191.08557	9.0
199.07632	2.7
202.07803	4.5
203.08586	4.5
205.08461	1.2
207.07878	0.9
217.08554	6.1
218.07318	2.6
219.08026	12.1
220.08818	2.4
231.08037	6.8
232.08858	1.3
233.05969	1.2
235.07423	1.5
236.08496	2.0
247.07568	5.3
248.08340	6.8
249.09050	2.1
251.10698	12.3
253.08600	1.3
259.07629	3.6
260.08340	1.6
261.09030	1.4
263.10571	5.0
264.07806	2.7
265.08569	2.4
270.08896	1.3
271.09711	2.8
276.07791	2.6
277.08566	2.3
279.10156	13.8
280.10706	1.3
291.10217	10.5
293.08121	1.7
296.10446	2.9
308.10333	1.4
309.11160	1.6
311.12796	15.5
323.12805	10.9
341.14240	6.4
341.15585	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	341.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01865	2.2
55.05490	1.2
55.19767	0.7
56.91784	1.0
56.96566	5.9
57.03432	3.1
61.02926	4.8
67.05472	0.8
69.03084	1.2
69.03432	17.0
69.07057	3.5
69.35305	5.4
69.35711	1.4
70.06580	0.8
70.47926	0.7
71.04993	15.6
73.02922	5.3
79.05497	1.2
81.03422	9.2
83.04977	1.3
84.96026	2.6
85.02908	31.4
87.04453	2.7
89.06034	100.0
91.03949	1.8
91.05444	2.1
95.04987	0.9
97.02896	30.8
98.97589	19.5
99.04458	7.0
100.99137	1.1
103.05452	1.0
105.03405	1.5
107.04928	1.9
109.02350	0.7
109.02903	7.0
110.97590	5.3
112.99132	1.4
116.98624	5.2
119.01794	1.0
119.04910	2.7
122.07121	1.3
123.04438	3.8
127.03927	13.1
128.98618	3.9
129.05424	1.1
131.00195	1.5
131.04941	1.4
133.02853	2.9
133.07587	8.0
134.99644	1.5
135.04427	1.8
135.06525	16.0
137.05977	8.4
143.00185	1.8
145.04955	13.9
146.99648	2.5
147.04401	5.4
148.04675	0.8
149.01158	1.0
151.03940	1.2
151.07524	1.6
153.04800	1.6
158.99641	6.6
159.03221	1.9
161.01187	2.4
161.04903	1.7
161.07100	68.1
162.05424	6.6
163.07571	2.0
167.07042	2.8
170.99664	1.8
177.00705	3.6
179.03394	25.1
179.07115	1.4
179.08231	12.3
182.03328	0.8
183.64384	0.8
184.04012	1.1
190.04927	7.7
193.04373	1.9
197.08188	1.3
199.05397	1.2
201.00702	2.9
202.05162	1.2
203.05766	0.9
205.04782	0.8
208.04936	0.9
213.00667	1.1
215.09088	1.1
219.01782	10.6
221.06964	1.1
225.07144	0.9
233.06654	1.0
234.07553	3.7
236.08212	1.7
237.02759	11.5
243.05325	1.1
243.08673	1.1
244.06076	1.4
251.08534	1.2
261.06851	0.7
261.09543	4.0
265.06467	3.7
279.03839	0.8
279.10709	2.2
280.07117	0.9
281.05380	3.6
284.03333	0.8
291.10129	1.5
305.09152	9.0
316.60077	1.4
317.10721	9.7
323.06332	2.1
323.10190	4.6
341.08292	4.0
341.12198	11.6
342.11987	1.0
351.09503	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	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37311	0.7
69.28117	6.6
69.28502	1.4
79.05486	2.5
79.46018	0.9
81.07032	1.6
85.06539	1.0
91.05489	4.1
93.07024	1.2
94.04187	3.0
103.05483	1.2
105.07053	6.4
107.04963	1.4
109.06499	2.4
109.67277	0.9
115.05461	3.1
117.06995	1.2
119.08557	2.7
121.06461	0.9
122.03651	8.4
128.06213	1.9
129.06984	1.9
131.04938	2.1
132.05704	2.5
133.06520	4.7
137.05983	100.0
145.06464	1.2
146.03618	0.9
146.70670	0.8
147.04387	1.4
147.08003	2.9
149.06000	1.7
155.04875	0.9
159.08037	2.5
160.05202	1.6
161.05957	10.5
165.07004	0.9
167.06972	1.1
171.08084	1.2
175.07565	29.5
187.07555	10.2
189.07034	1.2
189.09023	1.5
190.07750	3.4
191.08575	9.3
199.07529	8.8
202.07756	3.8
203.08539	6.0
208.08859	1.9
217.08623	0.9
218.07242	2.3
219.08076	13.5
220.08838	2.6
231.08070	5.7
232.08794	1.5
235.07591	1.5
236.08340	1.8
247.07535	4.4
248.08234	3.1
251.10681	16.4
259.07581	3.2
263.10672	3.6
276.07776	1.2
277.08588	3.5
279.10184	14.9
291.10117	6.8
292.10941	3.2
293.07858	1.0
295.13187	1.1
296.10498	1.9
311.12750	17.7
323.12793	3.8
341.13986	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	341.1386
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
70.11318	4.2
71.25063	1.0
75.02499	0.9
79.05496	3.4
81.07041	1.9
91.05504	5.5
94.04179	2.9
96.17838	1.0
101.33533	1.2
102.13351	0.9
103.05489	6.5
105.07044	19.5
107.04956	2.2
115.05448	7.5
117.07025	1.7
118.04149	1.5
119.04922	3.0
119.08581	3.8
120.31701	1.1
122.03664	6.8
128.06245	2.9
129.07005	3.4
131.04936	5.0
131.08551	1.6
132.05736	3.7
133.06509	14.6
137.05988	100.0
138.32924	1.0
143.05969	1.4
144.05725	2.3
145.06589	1.3
147.04405	4.5
147.08052	3.6
149.05948	1.6
151.07578	1.4
157.06560	2.0
159.08040	5.0
160.05263	2.1
161.05981	35.8
161.09605	1.4
163.07576	2.8
172.05151	6.7
175.07547	33.6
179.07059	2.3
187.07550	29.5
189.09157	1.8
190.07782	2.1
191.08591	6.1
199.07571	3.6
202.07784	1.8
203.08574	4.9
217.08595	4.5
218.07230	2.4
219.08022	10.9
220.08878	2.2
231.08102	4.8
235.07492	1.4
236.08327	3.2
247.07602	6.0
248.08347	3.7
249.09000	1.1
251.10680	17.0
253.08630	1.2
259.07385	2.3
263.10654	3.2
264.07959	2.0
265.08401	2.1
276.07877	2.0
279.10172	13.4
281.11758	1.2
291.10184	11.3
296.10413	2.3
309.11325	1.7
311.12808	17.8
323.12836	9.1
341.14099	5.3
347.42188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
58.87611	0.2
59.67816	0.2
66.84141	0.2
67.33794	0.2
68.99798	0.6
69.03422	0.4
69.80297	0.2
71.19777	0.2
71.20141	0.4
81.03413	0.3
81.07011	0.2
85.02910	0.6
91.01871	0.2
97.02901	0.4
105.07034	0.5
111.04433	0.5
122.30312	0.2
123.04447	0.2
125.44755	0.2
133.02800	0.2
133.10152	0.4
137.02362	0.5
137.05980	0.9
155.03387	0.4
161.02316	0.3
161.09660	0.5
170.99350	0.2
179.03406	100.0
180.03745	0.4
207.07762	0.5
290.48669	0.2
341.12454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.14977	0.1
53.03960	0.1
61.02927	0.4
66.09818	0.2
69.03413	0.6
71.16998	0.3
71.17342	0.2
73.02899	0.2
81.03417	0.5
85.02913	2.3
87.04475	0.2
88.56107	0.2
89.03910	0.4
95.04949	0.2
97.02911	1.0
98.13762	0.2
98.97604	0.3
99.04457	0.3
104.23108	0.2
105.03388	0.5
109.02869	0.3
117.03355	0.2
123.04437	8.4
127.03925	0.5
130.12794	0.2
133.02861	7.7
135.04410	1.6
141.44951	0.1
145.05008	0.3
151.03914	3.7
151.05109	0.2
163.61115	0.1
166.87431	0.2
179.03407	100.0
180.03740	0.7
183.41251	0.1
256.92191	0.2
341.08664	2.1
341.12283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55641	0.8
52.98720	0.6
53.05250	0.7
53.21544	0.7
55.01879	1.3
55.05515	4.6
56.96582	0.8
57.03435	1.1
57.07080	4.0
62.06091	100.0
64.16361	0.6
66.75679	0.6
67.05508	13.2
69.07072	4.8
70.06596	2.1
70.14612	2.2
71.08635	18.0
71.09012	1.4
79.05495	5.9
81.07065	17.1
83.05015	1.2
83.08635	3.0
88.07630	1.5
91.05470	5.4
93.07054	7.2
95.08610	12.6
95.85280	0.6
97.06525	1.8
98.06074	3.2
98.97594	1.3
99.08093	12.4
104.99432	0.6
105.07042	4.1
107.08598	5.1
109.10152	4.3
111.08102	1.7
113.09726	0.9
116.98605	0.9
117.07011	0.8
118.81542	0.8
119.08616	3.8
121.10170	3.2
123.11713	1.7
127.11185	0.9
131.08589	1.7
133.10158	1.2
135.11713	2.3
137.13266	1.3
145.10123	1.9
147.11679	6.5
147.71454	0.8
149.02374	3.1
149.13248	1.3
150.02692	1.2
153.12688	1.0
155.22243	0.8
159.11807	0.9
161.13354	0.8
163.11209	1.4
163.14828	2.1
165.12762	1.5
173.13319	1.1
193.05017	5.5
194.05322	2.0
197.07425	0.8
218.82201	0.8
224.20068	5.3
224.65663	2.2
225.15887	2.6
233.22581	0.7
240.19508	1.0
242.21136	9.9
243.21127	1.9
248.20943	1.4
256.26385	1.5
257.26849	1.2
261.22195	2.3
279.23163	4.0
299.18521	1.7
315.17926	0.8
317.19696	2.8
322.27420	75.0
323.25516	4.8
335.20691	1.3
339.77872	17.3
339.81519	0.7
340.28436	33.3
347.15204	0.8
364.01202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.1
56.24814	3.1
56.96561	20.3
57.03444	25.6
61.02930	52.2
69.03431	46.8
69.36893	29.1
70.98129	8.0
71.04987	4.3
73.02913	22.0
74.00250	4.0
74.00926	3.7
75.33396	3.5
81.03418	11.3
85.02911	100.0
86.03245	8.6
87.04485	10.2
88.93826	3.5
89.02370	3.3
91.03959	5.2
97.02894	46.9
98.03218	6.4
98.20784	7.8
98.97583	45.2
99.04468	10.1
101.00874	9.9
102.44973	4.2
102.96892	4.6
104.01302	3.8
107.04948	4.3
109.02871	11.9
110.01280	5.3
110.97610	10.8
111.00211	4.0
112.99130	16.6
116.98596	10.6
118.00983	5.9
119.01884	17.5
121.01733	4.3
127.03927	31.6
128.02393	10.0
128.04263	6.0
128.98633	14.6
131.00179	6.1
131.01895	6.6
132.00758	8.3
133.03423	5.6
137.05981	9.5
139.01483	4.7
141.01279	8.2
142.01947	4.7
142.96530	4.4
143.01884	10.0
145.03488	5.0
145.05017	19.9
146.99634	10.2
148.02048	8.6
150.01825	11.2
155.01889	5.0
157.02550	20.6
158.99673	7.6
160.54909	5.8
161.01108	5.1
161.03012	5.6
161.07115	6.5
163.02780	4.5
169.04277	7.6
169.05469	9.6
169.55534	12.4
170.05290	11.2
170.99742	5.6
173.02989	6.9
174.99086	5.6
175.02687	5.1
176.04556	4.0
177.00740	4.5
178.04839	25.0
178.54871	18.3
179.03525	13.9
179.05641	8.7
182.01717	5.1
188.97008	4.2
189.00636	5.4
191.02161	5.9
193.03781	7.0
193.05583	4.9
196.01326	5.1
197.03049	5.4
199.02637	4.0
203.02090	8.7
204.02762	3.7
205.01848	10.1
212.02588	9.4
213.03436	18.5
217.00165	4.0
219.01764	12.6
220.04248	12.4
221.03278	6.1
222.03940	5.3
226.02316	29.3
228.56010	4.8
229.04759	12.3
235.02954	17.8
235.06712	10.1
236.06900	5.4
237.02731	8.6
237.06459	5.4
242.03601	28.8
245.05104	18.2
250.06992	8.6
250.57224	18.1
251.08025	7.4
259.07758	7.6
259.57785	31.9
260.07910	5.0
281.04980	4.3
312.08234	3.8
324.47971	3.6
337.09595	14.0
338.10077	17.8
339.09787	15.9
341.06293	13.4
341.12082	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	340.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42746	0.4
50.84013	0.4
53.03943	0.6
55.01876	0.6
55.05524	0.7
56.96555	1.4
57.03431	1.1
57.76436	0.4
58.02963	5.0
59.05005	5.3
61.02922	0.6
62.06104	3.4
67.05514	0.5
69.03447	4.1
70.06597	0.7
71.04999	1.2
71.54400	0.7
72.63934	0.4
73.02910	1.5
79.05504	0.8
81.03431	3.3
81.07056	1.1
85.02905	7.7
87.04471	5.5
91.03957	0.7
91.05461	2.8
92.10244	0.4
93.07055	1.1
97.02895	8.8
98.97601	3.8
99.04458	1.5
103.05451	0.7
105.03410	0.5
105.05514	5.9
107.04967	1.2
109.02873	2.8
110.97578	0.7
111.08092	0.5
116.98608	0.8
117.03408	0.5
117.05504	1.6
119.04954	10.0
121.06510	8.1
123.04465	0.6
124.14717	0.4
125.09658	0.7
127.03934	7.1
128.98596	0.7
131.04936	1.1
133.02827	0.9
135.04398	0.8
136.07614	0.9
137.05960	0.6
139.03824	0.5
143.10703	3.5
145.02888	0.5
145.04977	6.0
147.04416	72.5
148.04790	1.2
148.06042	0.5
158.99689	1.1
160.07578	1.7
161.90765	0.4
163.03920	3.2
163.07500	0.5
164.04202	0.6
165.02464	0.5
166.08575	0.5
168.05377	1.1
172.05092	0.5
177.00650	0.7
178.08643	100.0
179.03412	6.5
179.09009	0.9
191.42996	0.4
201.05930	0.6
204.03781	0.6
206.06381	0.5
206.21417	0.4
208.04169	1.0
208.08278	0.8
219.01773	0.5
231.08621	3.4
237.02827	0.9
249.09636	1.7
250.09698	0.7
250.39642	0.4
325.06033	0.5
335.10034	1.1
340.14014	6.3
341.12231	1.8
343.07230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2848
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
52.75802	1.1
53.89002	1.0
55.05303	1.1
55.05516	11.4
57.02824	0.9
57.07068	3.5
58.42173	1.3
60.04531	21.9
67.05509	8.4
69.07075	17.5
71.08613	1.0
71.55143	1.8
79.05489	2.2
81.07054	11.8
83.08627	10.7
91.05519	2.3
93.07043	3.2
95.08606	9.2
97.10167	7.0
105.07030	2.6
107.08609	2.2
109.10165	6.6
111.11728	2.8
117.06085	1.0
119.08595	3.8
121.10111	3.2
123.11697	3.0
133.10155	2.9
135.11745	1.7
137.09651	1.7
137.84760	1.1
142.15923	7.7
147.11688	3.3
149.13293	1.4
151.11267	1.2
154.12294	4.9
161.13266	2.2
168.13821	1.3
172.13347	2.7
177.46982	1.1
182.18956	1.2
245.01431	1.1
245.22665	1.7
263.23776	3.1
280.26355	10.8
283.45877	1.2
298.27402	11.7
322.27411	3.3
340.28506	100.0
350.76199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2534
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03946	6.5
55.05514	18.6
56.96574	9.9
57.03442	13.8
57.07085	10.3
67.05510	88.7
69.07072	19.4
69.35873	3.7
71.04986	4.9
71.54794	4.9
73.29196	4.9
73.76731	4.6
79.05499	52.1
81.03424	6.1
81.07065	100.0
83.08627	12.1
85.06538	6.0
91.05486	27.6
93.07045	60.0
95.05012	5.5
95.08622	90.0
97.06556	8.8
97.10190	4.7
98.97595	43.6
105.07057	27.5
107.08607	49.1
109.06522	7.6
109.10178	50.0
111.08073	6.1
114.87603	3.8
116.98638	12.3
117.07016	8.8
117.23634	4.6
119.08588	24.7
121.06560	4.8
121.10160	44.1
123.11707	19.2
125.09657	6.9
131.08562	22.8
133.10130	23.8
134.99632	6.6
135.11694	34.7
145.02795	4.8
145.10135	27.7
147.11728	23.3
149.13268	20.1
151.11168	5.9
159.11758	22.0
161.13235	7.4
163.11107	5.3
163.14919	8.6
173.13232	10.6
175.11185	6.5
187.14771	5.4
189.85799	4.3
219.21118	7.8
229.07515	5.3
229.19571	34.3
231.08853	5.4
232.96579	4.5
247.20598	91.3
265.21713	10.8
267.09238	6.0
274.97543	37.6
283.16983	32.7
292.98541	14.0
297.98947	6.5
321.24289	15.6
330.16733	4.2
339.25357	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.05520	18.2
55.86799	3.5
56.96569	6.7
57.03429	11.6
57.07079	10.1
58.54056	3.7
60.08498	3.4
67.05512	82.3
69.07065	19.8
70.88544	3.5
71.54707	6.8
79.05505	36.6
81.07059	100.0
82.70155	4.0
83.04967	5.5
83.08620	7.6
91.05479	19.1
93.07049	46.2
95.08060	6.1
95.08621	82.5
97.06529	5.9
97.10187	6.7
98.97575	29.7
105.07044	24.8
107.08600	41.5
109.10162	49.1
116.98624	14.0
117.07047	6.8
119.08597	29.6
121.06538	4.7
121.10153	54.9
123.11710	21.9
131.08562	17.1
133.10143	23.7
135.11687	25.5
137.13362	3.7
139.11142	4.1
145.10152	16.9
147.11700	25.4
149.13277	18.0
159.11725	18.8
163.14862	10.3
173.13309	9.5
175.11179	7.0
187.14882	5.8
214.09109	4.0
219.21086	7.1
219.57585	3.6
229.19522	32.5
247.20604	79.4
256.96432	5.9
265.21719	8.0
274.97528	37.0
283.16949	55.3
292.98547	13.9
303.23163	4.7
321.24133	19.5
339.25922	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03944	3.6
55.01871	1.1
55.05511	44.6
56.37984	0.8
57.03426	2.9
57.07071	3.1
63.02373	1.1
65.03934	1.2
67.05507	7.7
69.03430	7.1
69.07068	17.8
71.05005	1.1
71.54413	1.5
79.05491	3.8
81.03423	10.7
81.07059	24.2
83.04969	2.3
83.08610	3.8
85.02903	5.2
85.06538	3.0
87.08138	1.2
88.53963	0.8
89.03914	5.5
91.05507	4.6
93.07050	8.7
95.08608	31.1
97.02885	1.7
97.06521	2.8
97.10168	100.0
99.04467	2.2
99.08076	2.0
101.06036	1.4
105.07024	6.6
107.04970	2.5
107.08594	8.8
109.02857	4.5
109.06518	2.0
109.10153	12.0
111.08070	1.8
111.11750	1.2
117.03375	21.5
118.13797	1.0
119.08603	6.3
119.09352	0.8
121.06560	1.3
121.10135	7.3
123.08120	1.9
123.11704	6.7
125.09635	17.0
127.03923	1.4
129.06953	1.1
131.08571	2.3
133.10168	4.6
134.03648	1.3
135.04364	1.1
135.08072	1.2
135.11685	4.7
136.03348	0.9
137.05962	2.8
137.09656	1.1
137.13263	2.2
139.11197	2.5
141.09138	1.3
143.10675	36.6
145.02852	49.8
145.06584	1.1
145.10121	1.6
145.41911	0.9
147.04428	1.2
147.11671	4.3
149.06000	7.6
149.09648	1.4
149.13225	4.6
151.07565	1.9
151.11203	1.8
151.14807	5.5
157.12154	1.8
159.08034	2.0
159.11705	2.3
161.13281	4.3
163.11157	1.1
163.14877	1.2
165.06970	0.9
165.12801	3.0
167.14351	3.2
171.10211	5.4
173.13275	1.8
177.05470	93.1
177.12735	4.7
178.05855	0.9
178.07724	1.1
179.14256	5.3
185.05994	1.1
186.06784	1.5
187.14873	1.9
189.06973	1.8
189.11258	7.7
189.16464	1.2
190.07800	2.2
191.08611	2.6
193.06595	1.5
195.06549	2.6
195.13846	2.0
201.16389	1.0
205.06439	1.8
205.15939	1.5
207.08073	2.4
207.13818	1.1
208.08810	1.2
214.06236	1.5
217.06471	1.1
218.07306	3.5
219.08107	6.5
219.17509	1.0
220.08864	2.7
221.06119	2.9
229.08673	4.9
233.05992	1.2
233.09789	2.2
234.06819	1.2
235.07501	6.2
236.08307	6.1
247.07578	3.7
249.05515	1.4
249.09164	3.1
250.06125	1.5
251.10703	8.6
253.08548	1.1
261.09219	1.8
262.06326	1.6
263.07047	3.6
264.07843	9.2
265.08508	4.6
267.21143	1.1
275.23727	2.3
277.05475	0.9
277.08673	4.0
277.21555	1.1
278.09448	1.6
279.10083	6.5
281.08139	2.8
285.22162	1.1
292.07330	2.0
293.08191	2.0
293.24771	1.9
303.23132	8.6
304.09448	1.4
307.09631	16.3
308.10413	2.8
309.11780	1.6
309.24292	2.2
311.12784	13.8
321.09705	11.7
321.24246	48.4
324.09949	1.7
339.12296	31.4
339.17828	3.0
339.25253	6.7
340.12970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.81438	0.8
53.03939	1.5
55.01877	1.0
55.05512	50.6
56.96567	0.9
57.03179	0.7
57.03435	3.8
57.07074	2.9
67.05510	6.7
69.03436	4.6
69.07072	22.1
70.18665	1.3
70.19051	2.2
71.05006	1.5
73.06565	1.3
77.95354	0.8
79.05492	2.8
80.48800	0.9
81.03423	3.6
81.07061	22.7
83.04987	1.5
83.08635	5.4
85.02896	2.6
85.06542	3.2
87.08087	1.5
89.03931	2.0
91.05475	2.8
93.02054	0.7
93.07047	8.0
95.04978	2.1
95.08611	33.0
97.02903	1.4
97.06505	1.7
97.10175	100.0
98.10497	1.1
98.97605	1.4
99.04488	1.0
99.08105	1.8
101.06030	1.9
105.07040	4.6
107.08602	9.7
109.02898	1.8
109.06512	2.1
109.10165	11.2
111.08076	1.6
111.11735	1.4
112.99157	1.3
117.03391	8.9
119.08569	5.6
121.10149	6.5
123.08090	2.2
123.11739	7.4
125.09640	14.1
127.03947	1.5
131.04913	1.2
131.08630	1.0
133.10129	3.4
135.11693	3.7
137.09624	2.0
137.13283	2.6
139.11220	2.8
141.09093	2.1
143.10680	37.2
145.02858	19.8
145.10107	1.6
147.11713	3.3
149.05994	3.6
149.09601	0.8
149.13251	5.4
151.07573	2.7
151.11143	1.1
151.14836	5.6
157.12236	1.8
159.11745	2.3
161.13228	3.9
163.14824	1.9
165.12744	1.4
167.14348	2.5
171.10149	5.2
173.13246	1.2
175.14906	1.3
177.05475	34.1
177.12733	3.3
178.05870	0.7
179.14317	6.9
187.14786	1.0
189.11212	6.7
189.16409	0.8
191.14267	1.2
195.06645	0.8
195.13879	2.7
201.16357	0.9
218.07281	1.2
219.01566	0.8
231.13280	0.6
247.07590	1.2
247.17012	0.9
257.22763	1.1
275.23792	2.9
285.22125	1.3
293.24753	2.8
303.23163	9.9
307.09634	1.4
309.24237	2.2
315.16431	3.8
321.09650	4.6
321.24240	62.4
322.24368	0.9
324.17068	2.1
330.16977	1.4
339.11569	1.7
339.17746	4.2
339.25476	6.6
339.67734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19563	0.9
55.05511	5.3
56.96552	1.7
59.04993	3.3
64.58840	1.0
67.05507	24.8
69.03426	3.5
69.07059	1.1
69.41101	3.3
69.41535	4.2
71.04997	100.0
79.05498	1.9
81.03434	2.6
81.07063	47.5
83.05006	1.6
83.08612	1.4
85.02909	9.0
85.06546	5.9
87.04481	2.1
91.05477	2.9
93.07031	1.4
95.08585	3.5
97.02882	3.1
97.05896	1.0
97.06538	1.9
98.20745	1.4
98.97573	4.2
99.08106	1.7
110.06031	3.5
117.03393	1.4
119.04968	4.4
122.06030	6.3
123.04414	1.1
123.11710	14.9
127.03927	2.5
131.01764	1.1
135.04422	1.4
136.07573	5.4
139.03906	6.2
140.07048	1.1
141.12750	70.3
144.99318	1.2
145.02824	3.5
145.04993	2.2
147.04424	28.0
149.09605	1.7
150.05490	4.3
152.46104	1.0
158.99678	1.7
159.13821	32.0
163.03946	4.3
164.07085	6.1
168.06531	1.3
172.09666	2.2
177.05490	4.4
177.14870	34.5
179.03445	2.4
182.08098	6.3
203.03365	6.0
217.04776	1.1
303.94879	1.2
321.14401	2.7
339.10388	2.4
339.15491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69111	0.5
55.05495	1.7
57.07090	5.1
58.67649	0.5
62.98257	5.4
67.05504	1.9
69.07065	0.9
69.93781	2.0
70.06571	1.5
71.04983	0.5
71.08629	2.0
75.43093	0.5
77.00931	0.9
79.05491	1.9
81.07071	3.2
83.08629	0.8
88.02341	0.7
88.07632	1.8
91.05467	1.1
93.07043	2.2
95.08604	2.2
98.21481	0.6
98.97575	2.0
102.09169	1.5
105.07027	1.1
107.08569	1.7
109.06531	0.7
109.10146	0.8
109.54382	0.6
116.98598	0.8
119.08579	0.9
121.10157	1.4
130.00943	0.6
131.08527	0.6
133.10197	0.6
145.10091	0.8
147.11732	0.8
149.02353	6.2
171.52983	0.5
177.05499	0.7
193.04973	12.5
217.08337	0.8
224.65706	5.7
225.15845	1.1
247.20618	1.8
255.18690	0.8
256.26328	3.4
274.97479	2.2
280.11713	1.1
292.98581	0.9
297.99167	0.7
299.18500	2.1
315.18024	1.6
317.19571	5.0
321.18109	7.2
335.20673	2.1
339.19095	100.0
339.27704	28.1
339.77875	6.2
340.19348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.3
57.03419	1.3
57.07061	1.9
58.33366	1.0
67.05510	31.3
69.03422	2.6
69.07066	2.0
70.60847	3.9
71.04996	78.3
73.06520	1.3
75.10519	1.3
79.05479	3.7
81.07057	75.6
83.08624	1.7
85.02919	7.4
85.06546	13.7
86.64224	1.2
95.08604	7.6
97.02866	2.3
97.06499	1.4
98.97588	2.6
99.08049	2.8
105.03423	1.1
110.06001	1.9
119.04907	1.3
122.06028	3.0
123.11698	18.5
127.03925	1.6
136.07518	1.8
141.12741	100.0
145.02821	2.6
147.04405	9.9
147.05458	1.8
150.05458	1.4
159.13808	71.9
164.07123	1.6
177.05461	4.9
177.13449	2.3
177.14868	33.0
179.40361	1.4
182.08174	1.7
217.32982	1.4
358.53662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55435	0.6
53.03947	1.3
55.01870	1.1
57.03439	4.2
59.05003	0.7
61.02939	1.9
67.05517	1.0
69.03432	10.4
69.07058	1.5
70.06596	0.7
71.01352	1.0
71.04990	2.9
71.56645	1.0
73.02937	1.5
73.08825	0.7
75.04485	0.7
79.05503	1.2
81.03420	8.3
81.07054	2.5
82.07401	1.3
85.02919	7.0
87.04449	0.8
87.08105	1.1
89.03931	2.6
91.05488	2.7
93.07025	0.9
95.04958	0.6
95.08622	2.3
96.08958	0.7
97.02890	2.9
97.06538	5.9
98.06870	3.4
98.97569	1.0
99.04451	3.1
105.07027	1.1
107.04935	0.7
109.02888	2.8
117.03392	10.2
119.04954	1.9
120.08105	0.9
122.06065	0.7
123.08046	1.3
124.08410	2.0
127.03929	2.3
131.08543	0.7
133.10110	0.7
134.03616	0.9
135.04449	0.9
137.05968	2.0
141.09109	6.5
142.09465	7.5
145.02853	25.3
145.04793	1.0
147.04405	6.4
147.07961	1.9
147.09116	1.5
149.05989	3.3
160.07562	1.0
161.09554	1.5
162.10272	31.9
163.08649	1.8
172.09763	1.3
173.05881	1.2
174.10254	2.0
175.08722	1.1
177.05475	55.2
178.08766	0.8
179.03453	2.0
186.10277	1.5
188.08199	57.7
195.06528	1.9
198.10301	1.4
200.08246	0.9
200.11856	1.5
204.11313	1.6
212.11832	1.3
214.06952	0.7
230.12828	0.9
260.13983	0.8
278.15036	8.1
279.13199	0.7
296.16064	8.6
304.12738	1.3
321.09662	7.6
322.13983	100.0
323.14590	1.4
339.16891	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26460	0.8
52.32866	0.9
53.03954	1.1
55.05497	2.5
56.96546	2.1
59.04976	1.5
61.28530	1.2
61.98230	0.9
65.03959	1.1
65.10962	0.8
67.05505	5.9
69.03430	3.0
69.07077	1.3
69.85597	4.6
71.05001	8.1
73.02917	1.4
79.05505	5.5
81.03390	2.6
81.07056	14.8
85.02906	5.1
85.06509	2.7
87.04461	1.9
88.79466	0.8
91.05489	7.8
93.05769	1.2
93.07034	2.9
94.06557	3.1
95.04968	2.1
95.08596	2.5
96.08129	2.9
97.02895	2.2
97.06517	3.6
98.06841	1.2
98.97615	4.4
98.98134	0.9
105.03387	1.1
105.05482	1.0
105.07002	1.5
106.06597	1.3
107.04958	1.5
108.08097	2.2
109.02909	1.1
109.05270	0.9
109.06505	1.5
110.06056	6.8
116.98651	1.6
117.03361	1.5
119.04948	10.2
122.06023	18.3
123.04445	1.4
123.06773	2.4
123.11668	2.5
124.07594	16.9
127.03921	2.3
133.06544	1.3
134.06023	20.8
135.04312	0.9
136.07582	85.6
137.06026	1.6
139.03911	1.5
140.07083	4.5
141.09093	2.2
141.12726	12.2
145.02831	3.6
147.03241	2.1
147.04413	40.0
149.06038	1.1
150.05516	7.6
152.07066	89.9
154.08665	1.7
158.08162	0.9
159.13812	8.7
160.98814	1.3
161.05910	1.2
163.03867	1.7
164.07072	100.0
166.08615	1.8
167.07101	1.5
168.06549	2.5
170.08138	15.5
177.05453	10.2
177.14853	2.7
178.09918	1.0
178.25027	0.9
182.08139	30.3
189.00876	1.1
200.10626	1.5
201.05327	1.1
214.12263	2.1
217.04768	1.0
232.13338	1.6
237.02713	1.3
242.11726	1.8
243.11343	1.2
260.12775	5.6
285.12213	2.8
300.60812	0.9
303.13379	58.2
310.75171	0.9
321.10916	1.4
321.14478	17.2
339.10254	6.1
339.15714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03947	0.4
55.01880	0.4
55.05511	0.5
56.96570	0.3
57.03428	0.5
61.02931	0.7
63.02400	0.5
67.05501	0.6
67.26085	0.2
69.03433	9.9
69.07068	0.7
71.01350	0.2
71.05001	0.2
71.41011	0.2
71.41350	0.2
71.81985	0.1
78.04729	0.2
79.05493	0.9
81.03422	2.6
81.06606	0.2
81.07043	1.0
83.04968	0.2
85.02897	1.7
85.06551	0.2
89.03922	5.1
91.05470	1.1
93.07029	0.9
95.04932	0.3
95.08618	1.0
97.02893	1.1
97.06508	0.3
97.10198	0.4
98.97588	0.3
99.04458	0.6
103.05479	0.5
105.07042	0.9
106.04180	0.5
107.04943	0.4
107.08597	0.7
109.02905	1.4
109.06538	0.4
109.10175	0.7
115.05523	0.2
115.19896	0.2
117.03385	18.9
117.07032	0.3
119.04932	0.4
119.08562	1.0
120.23065	0.1
121.06548	0.3
121.10135	1.0
123.11727	0.7
126.71490	0.2
127.03922	4.0
129.07019	0.3
131.04944	0.7
131.08568	0.4
133.06490	0.4
133.10141	0.6
134.03636	1.3
135.04436	1.0
135.08069	0.5
135.11674	0.4
137.05983	1.2
145.02850	52.0
145.10126	0.5
146.03218	0.3
147.04390	1.0
147.08034	0.3
147.11659	0.4
149.05983	6.8
149.09604	0.4
149.13271	0.4
153.05434	0.2
155.04849	0.2
157.10152	0.3
158.06055	0.2
159.08086	0.2
159.11711	0.5
161.06004	0.7
161.13252	0.3
162.03117	0.3
163.03854	0.9
165.05539	0.4
169.10152	0.2
171.84467	0.2
173.13313	0.4
175.14853	0.4
177.05476	100.0
177.16348	0.3
178.05875	1.0
183.11708	0.3
186.05486	1.2
187.07545	0.2
187.14911	0.2
189.05348	0.2
189.16324	0.4
191.08540	0.2
195.06540	1.6
195.76961	0.2
207.06433	0.2
215.07013	0.4
217.15814	0.4
218.07298	0.7
219.08095	0.5
219.17404	0.3
233.08107	0.2
235.07602	0.3
246.06772	0.6
247.07553	0.7
248.08366	0.2
261.09415	0.4
263.07074	0.3
274.06238	0.3
275.06876	0.3
277.08517	0.3
278.09396	0.4
279.10159	0.5
285.18631	0.2
289.08716	0.8
290.09183	0.3
294.52402	0.2
303.19513	0.4
306.08771	0.3
307.09567	0.8
315.16357	0.2
321.09583	4.0
321.17175	0.3
321.20621	1.7
339.10712	3.8
339.17105	0.3
339.21432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01863	13.0
55.05510	7.6
65.03938	4.1
67.05495	13.9
68.01907	3.1
68.99791	3.8
69.03440	21.8
69.07066	13.4
69.49248	23.1
71.04991	7.5
73.02931	4.4
77.42722	3.6
79.05513	27.5
81.03424	14.9
81.07053	39.3
83.04996	15.7
83.08637	3.8
85.02889	6.0
87.00858	5.5
91.05479	21.1
93.07045	29.4
95.04977	11.0
95.08609	9.1
97.02903	6.5
97.06519	5.0
97.46285	3.4
99.04498	3.9
105.03367	4.0
105.07038	91.4
107.04960	12.4
107.08595	36.2
108.09351	4.6
109.06510	28.3
109.10174	8.8
111.04442	4.3
111.08110	5.2
115.05473	6.7
116.78775	3.3
117.03388	9.6
117.07023	11.7
119.04936	3.5
119.08594	47.6
121.06506	10.2
121.10168	32.2
123.04443	4.6
123.08105	8.9
131.08586	8.7
132.17938	3.9
133.06503	100.0
133.07465	7.2
133.10135	38.8
135.08098	12.5
135.11687	4.3
137.05992	13.5
137.09625	16.6
143.08578	9.4
145.02856	29.7
145.10078	17.3
146.07288	3.8
147.08080	21.5
147.11722	66.6
149.06052	5.0
149.09625	26.4
151.03905	8.1
151.07556	6.7
156.09357	14.2
159.08102	19.4
159.11687	6.0
160.08850	8.4
161.06056	25.4
161.09615	10.0
161.13225	22.5
163.11198	27.4
165.05515	3.7
171.11694	33.5
173.09636	95.0
174.10408	14.8
175.07578	9.4
175.11218	34.6
177.05455	52.0
179.07050	14.8
189.12744	98.3
193.12253	19.5
199.11209	7.0
205.12207	5.1
207.13866	16.5
217.12224	47.8
235.13315	73.6
253.14374	77.1
277.14267	4.3
293.13901	6.4
301.69388	3.9
321.09766	6.9
321.13333	50.3
339.10727	5.7
339.14447	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
60.80514	0.2
65.03931	0.8
67.05492	0.2
69.03418	0.5
70.51667	0.7
75.33909	0.2
83.04990	0.4
83.72927	0.2
85.02905	0.3
91.05481	9.6
92.05834	0.3
92.08836	0.2
98.20756	0.2
98.97578	0.5
111.04445	0.6
115.07581	0.2
119.04940	23.5
137.05940	0.4
145.02855	0.5
147.04408	100.0
148.04716	0.5
165.05447	0.8
177.05516	1.1
179.03372	2.1
204.06618	0.2
206.26762	0.2
214.67644	0.2
232.58148	0.3
285.00815	0.2
321.09641	0.5
339.14133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03942	0.7
55.01876	0.3
55.05505	0.7
57.03454	0.8
61.02935	1.2
63.02381	0.3
67.05514	1.3
68.45181	0.2
69.03433	4.7
69.07066	1.0
69.40118	0.2
71.04988	0.7
71.54749	0.4
73.02937	0.4
73.48671	0.2
77.03931	0.3
77.52542	0.2
78.39871	0.2
79.05503	0.9
81.03417	4.0
81.07061	2.3
83.04977	0.5
83.08618	0.3
85.02901	3.6
85.06571	0.3
89.03921	4.5
91.05496	1.0
93.07054	1.9
95.04974	0.5
95.08611	1.3
97.02891	1.5
97.06577	0.3
98.97594	0.3
99.04480	0.6
103.05464	0.3
105.07038	0.9
106.04187	0.4
107.08595	1.1
109.02911	1.6
109.06570	0.4
109.10148	1.2
117.03388	17.2
117.06931	0.2
119.04902	0.3
119.08565	0.8
121.06483	0.4
121.10142	1.2
123.11723	0.8
124.35188	0.3
125.09669	0.3
126.46940	0.2
127.03918	2.0
133.10158	0.6
134.03645	1.3
135.04420	0.8
135.08073	0.3
135.11746	0.6
137.06000	1.0
137.09634	0.3
139.11235	0.5
143.10687	0.2
145.02853	50.6
145.10106	0.6
147.11716	0.4
149.05981	6.7
149.09602	0.3
158.06039	0.3
159.11711	0.3
161.06020	0.3
162.03053	0.4
163.03908	0.8
163.11177	0.4
167.10698	0.3
175.11237	0.3
177.05478	100.0
178.05833	0.8
186.05513	1.0
195.06548	1.5
225.04146	0.2
234.56015	0.2
244.32874	0.3
247.07463	0.2
302.38086	0.2
307.09521	0.6
311.12701	0.5
321.09647	4.8
321.24222	0.5
334.08643	0.4
335.09207	0.7
339.10703	7.7
339.18494	0.3
339.25165	0.6
350.11630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03951	1.6
55.01875	0.4
55.05511	0.8
55.99523	0.3
56.96561	0.5
57.03434	0.9
61.02920	0.5
63.02375	0.5
66.16286	0.3
66.94022	0.3
67.05500	1.0
69.03432	4.2
69.19752	0.5
69.20151	2.4
69.25909	0.3
69.64933	0.3
71.04993	0.8
78.04693	0.4
79.05487	0.6
81.03419	8.5
81.07059	0.9
83.08596	0.4
85.02907	4.4
89.03920	6.0
91.05489	1.7
93.07047	1.1
93.89185	0.3
95.04958	0.3
95.08611	0.8
97.02901	0.9
97.06526	0.3
97.10115	0.4
98.97576	0.7
99.04471	0.7
103.05457	0.5
105.07050	0.7
106.04134	0.6
107.04983	0.3
107.08626	0.5
109.02888	3.0
109.10160	0.6
117.03382	22.2
117.07030	0.3
119.08580	0.6
121.06527	0.3
121.10139	0.8
127.03913	1.6
131.94644	0.2
133.10147	0.4
134.03633	1.7
135.04414	1.5
135.11699	0.6
145.02849	54.6
146.03207	0.4
149.05984	7.7
149.13263	0.4
162.03102	0.6
163.03911	0.9
169.10007	0.3
177.05473	100.0
178.05821	1.1
183.11821	0.3
186.05481	1.2
195.06535	2.6
216.96574	0.3
248.40512	0.3
267.08841	0.4
321.09683	10.9
321.24249	0.4
339.10757	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	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74443	0.3
53.03947	1.7
55.01875	0.5
55.05513	1.2
56.96558	1.5
57.03432	1.3
61.02905	0.5
66.41573	0.4
67.05505	3.1
67.88148	0.3
69.03431	5.1
69.07066	0.9
69.37420	0.6
69.37817	2.3
70.03793	0.4
71.04982	1.5
72.15314	0.4
73.02920	0.8
79.05495	2.1
81.03420	11.1
81.07055	6.0
83.08624	0.5
85.02909	5.0
85.06539	0.5
89.03922	6.8
91.05485	4.9
93.07046	2.3
95.04985	0.8
95.08601	3.7
97.02896	1.3
97.06496	0.5
97.10159	0.7
98.97592	1.7
99.04464	1.1
105.07027	1.4
106.04150	0.4
107.04999	0.8
107.08592	1.9
109.02881	3.5
109.06496	0.6
109.10144	3.7
111.04457	0.4
111.08057	0.4
116.98608	0.7
117.03384	22.3
119.08573	1.0
121.06501	1.2
121.10155	1.3
123.11716	5.2
127.03940	2.2
131.04909	0.5
131.08551	0.9
133.10130	1.1
134.03644	1.5
135.04428	1.4
135.11711	0.8
137.05997	1.2
137.09612	1.3
139.07541	0.5
145.02849	54.5
145.10052	0.4
147.11688	0.6
149.05971	8.2
149.13315	0.8
155.10655	1.3
158.06035	0.4
159.08040	0.5
159.11740	0.5
162.03142	0.6
163.03903	1.3
163.11360	0.4
165.09108	1.8
173.05946	1.7
173.11777	0.5
177.05475	100.0
178.05678	0.8
186.05522	1.6
193.12221	0.5
195.06499	2.8
201.11278	0.4
229.07481	0.4
267.09103	0.8
267.16046	0.6
274.97629	0.6
285.10181	0.5
321.09686	11.9
321.24490	0.6
338.68466	0.7
339.11130	3.2
339.18402	0.6
339.22916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03950	1.9
55.01863	0.7
55.05513	1.6
57.03427	1.5
57.07073	0.7
58.30701	0.4
59.05000	0.3
59.13707	0.3
61.02922	0.6
63.02344	0.5
67.05512	4.4
69.03085	0.5
69.03436	6.5
69.07080	2.2
69.58173	3.0
71.05003	3.1
72.19138	0.4
72.46013	0.3
73.02924	0.4
79.05497	1.5
81.03423	13.6
81.07056	5.8
83.04981	1.2
83.08615	1.1
85.02903	4.9
85.06558	1.0
89.03914	6.5
91.05498	4.2
93.07046	3.7
95.04971	0.7
95.08620	3.4
97.02897	1.2
97.06532	1.5
98.92247	0.4
99.04434	2.2
103.05450	0.7
105.07028	2.0
106.04186	0.5
107.04929	0.5
107.08617	2.7
109.02886	4.1
109.06511	0.7
109.10168	7.3
117.03387	23.0
117.07053	0.4
119.08562	1.3
121.06516	0.8
121.10159	3.9
123.08066	0.7
123.11694	1.2
125.09605	0.7
127.03942	2.6
133.10124	1.4
134.03639	1.2
135.04425	1.3
135.08028	0.6
135.11716	1.8
137.05992	0.8
137.09621	0.6
137.13220	0.5
139.11116	0.5
145.02852	53.9
145.10124	1.2
147.04367	0.9
147.11679	0.5
149.05992	6.8
149.13345	0.7
149.28873	0.4
151.11124	0.6
159.11697	0.6
162.03156	0.7
162.06757	0.6
163.03995	0.7
163.11200	0.8
165.12741	0.5
177.05479	100.0
178.05780	0.8
181.12175	0.4
185.11711	0.5
186.05534	1.1
187.07664	0.5
195.06569	3.0
258.06403	0.4
275.23831	0.4
279.08789	0.6
298.30304	0.4
303.23206	0.7
307.09750	0.5
321.09674	17.4
321.24313	1.1
339.11176	2.8
339.17026	0.5
339.20142	0.4
339.25302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
56.96563	3.0
57.03423	1.1
61.02928	1.2
66.49303	0.7
67.05516	1.3
69.03420	3.2
70.43401	2.0
70.43752	0.8
71.04997	1.4
73.02896	0.9
78.88033	0.6
79.05468	0.7
81.03419	1.7
81.07063	0.7
84.96027	0.8
85.02908	6.0
85.63397	0.8
87.04439	0.8
91.05463	1.0
94.18064	0.6
95.04953	1.6
97.02907	3.3
97.80497	0.7
98.97585	4.4
99.04456	1.3
105.03376	1.9
105.07069	1.2
109.02918	1.1
110.97610	1.2
112.99181	1.0
116.98614	2.1
119.04944	1.6
123.02133	0.6
123.04390	1.2
127.03918	2.2
128.98647	1.3
136.07594	1.6
137.05965	4.4
139.03926	1.0
141.05499	1.0
142.05797	0.9
143.00145	1.2
145.02840	1.2
145.04988	1.0
147.04399	7.8
147.16626	0.7
152.07103	1.6
153.05531	0.8
161.01208	1.0
161.07152	1.1
163.03920	2.4
164.07056	1.8
167.07039	0.8
168.06616	0.7
177.05467	2.9
180.45244	0.7
185.04239	1.7
203.03413	1.4
207.11278	2.4
213.00716	0.9
219.01744	1.9
220.04938	0.8
237.02834	2.6
247.14304	1.7
257.12881	1.0
275.13968	2.0
303.13446	2.2
321.05933	2.3
321.14496	6.6
339.10550	100.0
339.15448	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	339.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.01864	8.4
56.88014	2.2
56.96563	15.9
57.03440	16.2
57.14445	2.4
61.02926	22.1
69.03088	3.4
69.03436	47.9
69.23593	22.1
70.72747	2.7
71.04990	9.2
73.02917	27.6
79.05492	2.6
81.03432	15.0
85.02905	100.0
85.55228	2.3
86.03276	2.9
87.04472	7.0
91.03950	8.3
91.04478	2.3
96.01553	3.3
97.02893	45.3
98.96935	5.6
98.97581	96.5
99.04457	14.4
100.99090	3.1
101.00886	13.2
103.00600	3.9
105.02113	2.5
108.01562	4.4
109.02882	10.0
110.01300	4.4
110.97566	30.0
112.99139	21.5
113.00888	4.5
115.03927	6.4
116.98655	18.6
117.02053	4.8
119.01868	14.6
121.01643	2.8
124.99094	4.3
127.03925	41.7
128.02309	4.4
128.98604	18.2
129.02132	4.1
131.00194	13.2
131.01863	9.0
132.02557	4.5
138.02531	3.4
140.02313	20.3
140.98587	3.7
141.03113	3.8
143.00186	12.0
143.01913	8.5
145.01674	2.9
145.03490	5.9
145.04974	20.5
146.02307	3.4
146.99617	4.8
147.03149	10.0
149.01146	4.3
149.02824	14.4
155.00197	2.5
155.01894	12.2
157.01654	4.0
157.03484	7.3
158.99649	41.2
159.03175	7.8
161.01221	5.8
161.02904	9.6
163.02655	3.4
168.03560	43.1
168.05498	4.8
170.99696	16.8
173.01212	13.1
173.02916	7.9
175.02785	3.2
175.04668	3.0
177.00801	17.5
177.02496	4.0
177.04126	67.9
177.05734	4.7
178.04832	4.7
182.03374	5.4
185.01311	4.4
185.02963	6.7
187.02779	5.1
188.54962	4.7
189.00711	17.0
191.02168	7.0
191.03847	5.8
197.02985	5.6
200.04471	3.0
201.00752	16.1
203.02328	5.0
203.04031	5.6
207.01913	5.5
212.04457	7.4
219.01740	43.0
221.05034	12.2
223.04707	4.5
223.06734	5.1
231.01733	9.1
233.03139	3.0
233.05142	4.5
237.02811	33.7
237.06439	3.6
240.05727	21.7
243.01727	5.6
245.05219	13.1
245.45410	2.4
246.05264	3.0
249.02611	5.9
249.06209	85.1
249.56308	13.4
250.07047	6.8
255.03757	10.3
258.06778	98.9
258.09415	5.3
258.56940	7.8
259.07443	8.1
261.02817	12.5
275.06384	12.1
279.03845	24.9
285.89426	2.8
291.03632	2.6
293.05032	3.8
297.04947	9.6
321.05057	10.3
321.14410	5.1
335.06128	12.3
339.05148	12.5
339.09137	26.2
339.15109	11.6
339.18997	2.8
353.07449	7.3
357.06961	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	339.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33513	4.5
55.01866	6.1
55.05508	5.4
56.96566	25.0
57.03438	8.3
61.02920	6.1
67.05507	9.4
69.03425	17.1
69.20845	5.5
69.21201	41.6
71.04993	3.9
73.26298	4.1
80.14889	3.7
81.03407	6.7
81.07050	9.9
82.71572	3.9
83.04993	4.5
84.38783	4.1
84.96001	5.4
85.02898	37.3
85.06526	4.4
86.09702	9.5
91.05466	5.2
93.07043	7.4
95.04964	13.9
95.08595	5.5
96.05286	6.2
97.02902	16.1
97.06512	5.1
98.20792	7.6
98.97584	37.6
99.04461	4.4
105.03395	15.9
107.04941	4.2
110.97557	12.2
111.04474	5.6
112.99130	6.5
113.06046	4.2
116.98615	14.5
117.03312	3.9
119.04969	13.2
121.06532	4.0
123.04417	9.0
127.03902	13.1
128.98582	5.9
131.00226	4.6
136.07617	5.9
137.05968	6.2
141.05511	4.0
141.12721	8.5
142.05832	6.3
145.01712	4.2
145.02783	6.5
145.05014	4.9
147.04384	38.0
150.40286	4.3
152.07024	9.1
158.99471	6.4
159.00552	13.7
159.13866	5.4
163.03928	12.7
164.07069	10.9
177.00603	6.7
177.05371	9.2
177.06750	7.4
182.08217	3.8
185.04126	4.8
192.09270	4.0
201.00670	4.1
203.03516	7.4
203.91734	3.9
207.11423	5.5
212.06140	5.5
212.56427	10.4
213.00647	5.1
219.01781	13.8
227.06528	4.2
237.02843	22.8
255.03723	4.6
303.13419	10.6
307.09537	5.0
309.08557	5.3
321.05850	100.0
321.14468	11.8
332.02356	4.1
339.06750	35.0
339.10703	76.7
339.15540	28.0
340.10300	4.5
357.04883	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	339.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01864	7.2
56.96564	20.9
57.03435	16.4
61.02927	26.4
61.34260	2.0
67.51750	1.8
69.03432	41.6
70.98129	2.6
71.01369	2.3
71.04994	6.1
71.15073	4.1
71.15391	1.7
71.23765	1.7
73.02911	19.3
75.41662	1.8
79.22999	2.4
79.51096	2.0
80.00288	2.0
81.03424	11.9
83.01337	2.3
84.56511	2.1
84.96024	4.1
85.02908	75.2
87.04473	5.8
91.03976	6.1
97.02895	38.0
98.97586	100.0
99.04453	9.3
101.00868	7.3
101.02396	3.8
105.02135	2.2
107.04934	2.5
109.02884	8.4
110.01283	3.5
110.97567	29.6
112.99142	19.6
115.02402	2.9
116.98615	23.8
117.02053	3.0
119.01878	12.4
124.02816	3.3
124.99142	6.9
126.02544	2.5
126.97076	2.2
127.03929	26.9
128.04257	1.9
128.98611	14.2
131.00182	12.4
131.01863	6.0
132.02591	2.1
133.01607	2.4
133.03452	2.4
134.99733	2.6
138.02583	2.6
140.02299	25.4
140.98634	3.3
143.00185	12.8
143.01929	6.7
145.03490	4.3
145.04974	14.0
146.02339	3.2
146.99620	6.6
147.03142	8.7
147.04233	2.9
149.01224	5.4
149.02867	8.4
155.00166	4.1
155.01886	6.1
157.03510	4.1
158.99667	41.7
159.03139	4.3
161.01233	6.4
161.02896	6.9
163.02641	2.8
163.08681	2.2
167.01949	2.8
168.03609	47.5
168.05226	3.7
169.04324	4.0
170.99663	18.5
173.01265	13.5
173.03014	8.7
174.99214	3.5
175.04509	4.1
177.00822	19.1
177.02483	2.9
177.04147	63.7
177.54350	3.2
178.04930	5.8
179.02365	2.8
182.03336	3.1
182.99667	3.3
185.01245	3.0
185.02931	5.4
186.04633	2.6
188.55009	3.3
189.00722	19.3
191.02333	4.3
191.03870	5.0
193.00267	2.6
197.02975	9.0
200.04401	2.9
201.00722	12.1
201.02451	3.2
203.02243	3.9
203.04051	4.8
205.00221	3.4
205.02007	2.2
205.03792	5.0
207.01826	5.2
212.04459	7.4
213.02603	2.4
214.03278	2.4
215.02235	2.7
218.03584	2.9
219.01749	40.9
219.03654	4.3
219.07336	2.9
221.05025	7.2
223.04774	4.6
223.06750	2.6
227.04091	6.3
228.58582	2.0
231.01611	2.4
231.03568	2.5
237.02800	29.1
239.04399	7.1
240.05721	16.9
249.02545	4.5
249.06270	83.1
249.56435	6.7
250.07063	2.4
255.03757	8.6
258.06760	78.9
258.56992	10.6
259.07599	2.8
261.02844	9.4
263.06122	2.9
267.03418	3.1
275.06250	4.0
279.03922	32.2
291.04016	2.4
293.05502	4.0
297.04907	9.0
298.84824	2.3
303.13318	2.8
321.05093	9.1
321.14447	4.9
335.06357	16.1
336.06906	2.3
339.05685	12.0
339.09454	6.9
339.15622	6.5
353.07510	8.7
357.06659	4.2
361.73846	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	338.2692
Annotation	Melophlin I
Peak:m/z	Relative Intensity
53.03946	1.8
55.01875	7.2
55.05514	7.9
56.96562	1.9
57.03412	1.0
57.07068	1.1
62.06094	100.0
65.03915	1.2
67.05509	14.9
69.03465	0.8
69.06734	1.0
69.07072	12.6
69.38314	2.4
69.38737	4.4
71.08635	6.1
78.98583	0.7
79.05500	10.4
81.03448	1.4
81.07061	18.2
83.05000	1.7
83.08613	5.6
91.05499	8.1
93.07054	13.8
93.45335	0.8
95.04978	2.1
95.08617	11.1
97.06547	6.7
97.10150	1.2
98.06069	3.2
98.97578	2.4
99.08115	3.8
100.68933	0.9
105.07037	7.2
107.08602	8.5
109.06505	1.2
109.10142	4.5
110.09679	0.9
111.08114	2.6
116.98612	2.0
117.07018	1.6
119.08576	6.1
121.10152	6.1
123.08035	1.3
123.11714	2.6
124.11289	0.9
131.08549	2.3
133.10133	3.3
135.08101	1.5
135.11682	5.2
145.10133	2.2
147.11682	5.5
149.13255	2.9
151.11168	2.3
157.10085	1.2
159.11691	1.3
161.13231	5.0
163.14839	1.4
165.12790	1.1
171.11713	1.1
173.13304	1.0
175.14825	2.7
179.14322	3.1
196.13324	1.0
208.17009	1.8
222.18547	4.5
224.20132	3.6
226.17892	1.0
231.17459	1.0
236.16441	2.6
240.19675	6.4
241.19566	1.4
242.21182	1.0
249.21956	1.3
254.17554	3.2
259.20596	2.6
274.97574	2.7
277.21674	7.5
297.17484	1.6
302.24963	1.3
320.25870	83.4
321.24414	3.1
338.26944	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	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91168	0.6
53.03923	0.6
53.35603	0.6
55.01864	5.4
55.05502	1.1
56.96547	1.4
57.03408	0.9
61.02909	1.1
61.60604	0.7
62.50296	0.6
67.05505	3.5
69.03419	2.7
70.34035	2.3
71.04982	1.6
74.06058	0.6
75.46437	0.7
79.05488	5.8
79.64219	0.6
81.03400	2.1
81.07055	18.8
83.08594	1.3
83.18267	0.6
85.02902	9.7
91.05478	1.2
93.07023	1.0
95.08608	19.6
97.02898	1.8
97.06528	61.8
98.97583	2.0
99.04465	0.7
105.07034	1.2
107.04932	1.1
109.02882	1.4
109.10184	1.1
111.08068	1.8
113.09621	1.0
113.53472	0.6
116.98624	0.8
117.03379	1.0
121.02879	1.3
123.08068	23.6
123.08962	1.2
127.03901	1.6
127.11208	0.7
128.07065	1.0
137.05975	1.0
141.09099	100.0
142.09447	0.8
145.02829	2.5
145.04951	1.3
147.04343	0.8
159.10165	12.0
160.64711	0.6
162.10272	1.5
176.07004	0.8
177.05490	4.4
188.08128	4.4
194.01997	0.8
214.06747	1.0
257.03946	1.3
266.04477	1.3
274.54004	0.7
309.07230	1.1
322.13904	6.2
338.07245	6.3
339.16888	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	338.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	25.0
56.05836	4.7
56.21247	3.0
57.03429	7.7
57.07055	4.3
62.92159	3.1
67.05506	47.0
68.05831	10.8
69.07072	26.9
69.57658	3.2
70.07410	5.8
71.54420	4.6
79.05494	13.2
80.05830	4.2
81.07063	37.7
82.07400	15.2
83.05006	4.3
83.08628	15.2
91.05478	8.7
93.07045	9.8
94.07371	4.5
95.08617	26.1
96.08929	11.4
97.10162	7.0
98.97590	5.4
105.07026	7.9
107.08590	13.2
108.08923	3.6
109.10144	7.7
110.10490	3.3
111.11723	2.9
116.98607	3.5
117.26631	3.0
119.08572	6.3
120.08910	3.9
121.10135	7.1
122.10470	3.9
124.12054	2.9
125.77877	2.8
133.10135	6.6
147.11696	4.0
149.09604	6.2
151.39400	2.7
209.15407	3.3
222.61880	3.1
257.19089	5.0
274.97653	5.8
275.20044	25.2
338.17889	100.0
338.27652	87.0
338.33783	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	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05509	2.1
56.96577	2.1
57.03442	1.8
59.44881	0.8
61.02626	0.9
61.02925	1.3
63.65504	0.8
66.30464	0.7
67.05509	6.8
69.03432	2.5
69.04314	0.8
69.07064	2.6
70.06594	1.7
70.98254	1.2
70.98590	1.0
71.05002	2.0
73.02924	1.0
79.05501	2.6
81.03429	2.4
81.07056	14.8
82.06593	0.8
83.08617	0.9
85.02910	11.8
85.06570	1.5
87.04422	0.9
91.05486	3.6
93.07039	2.7
95.08611	37.6
97.02889	2.6
97.06514	3.4
98.97583	3.9
99.04455	5.7
99.08094	1.9
105.07043	1.8
107.08636	1.0
109.02888	1.8
109.06567	1.2
111.04444	1.8
113.09656	1.8
115.07585	1.0
119.04957	2.3
123.08071	38.9
123.11699	2.9
127.03891	3.0
128.07077	1.0
131.08609	1.4
136.07565	0.9
141.09108	100.0
145.04948	1.9
147.04419	9.1
158.99631	1.0
159.10179	19.7
163.04033	1.1
163.07600	1.0
176.07114	3.7
177.05476	2.7
179.03423	1.4
180.02844	0.8
203.06987	1.3
205.07079	1.3
214.06735	9.0
250.10774	1.9
250.82118	1.0
296.11325	1.1
320.11133	1.0
338.07986	1.0
338.11868	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	338.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99310	1.0
52.99571	0.8
53.03935	3.6
55.01867	3.1
56.83997	0.8
56.96563	7.1
57.03424	3.9
61.02936	5.0
62.06081	2.8
65.03946	1.0
67.05505	35.4
69.03431	14.9
69.07061	2.6
69.73672	2.9
69.74088	2.6
71.04980	2.6
72.08140	1.5
73.02905	2.6
74.06078	1.8
74.09715	1.9
79.05488	7.1
81.03419	13.8
84.96048	1.4
85.02908	41.6
86.09698	3.4
87.04454	3.3
91.03931	2.1
91.05465	1.1
95.04970	100.0
97.02896	10.8
97.06507	1.1
98.97577	17.5
99.04426	2.9
105.03395	8.5
109.02877	4.8
110.03193	1.1
110.97584	4.6
112.99174	1.4
113.06021	2.7
116.98618	5.4
117.68573	1.0
119.01835	1.1
119.04881	1.1
123.04430	46.2
123.08028	1.1
127.03908	9.3
128.59943	0.9
128.98581	3.9
131.00160	0.9
135.04454	1.0
139.03865	0.9
141.05464	80.4
143.00229	1.7
145.04974	5.0
146.99666	1.0
158.05972	2.5
158.11739	2.4
158.99649	3.4
159.06525	27.0
161.01305	1.4
162.92558	1.1
163.03917	1.8
167.00153	1.0
167.04794	1.0
169.01718	2.6
170.99666	2.5
176.05359	0.9
176.07063	5.5
176.09280	1.1
176.12811	6.1
177.00752	2.4
182.03403	1.4
187.02657	1.6
200.98270	1.1
210.99120	1.5
212.06218	2.4
213.04333	2.0
219.01768	12.3
227.06776	1.3
229.00151	2.3
231.16286	0.8
237.02885	9.8
247.56592	1.1
248.07327	1.6
256.57257	1.0
257.07773	1.2
292.03680	1.0
313.05719	2.0
315.07816	1.0
320.12897	0.9
321.05609	2.1
331.06903	4.4
338.08768	1.4
338.12415	3.4
359.06442	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	338.1231
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
53.03946	1.7
55.01871	1.2
56.96566	2.0
57.03429	1.7
61.02930	3.7
64.69851	0.5
67.05507	0.9
69.03436	9.9
69.07081	0.5
71.04989	1.7
71.54556	0.6
73.02922	2.1
74.06089	0.6
79.05517	1.1
81.03423	4.6
81.07044	0.9
83.01324	0.5
85.02912	18.5
86.03284	0.6
86.09708	1.2
87.04467	2.1
91.03965	1.1
95.04967	1.4
95.08625	0.8
97.02900	7.7
97.06530	2.8
98.97613	2.8
99.04466	2.1
99.08099	0.7
101.02388	0.5
103.03996	0.4
103.05458	2.1
105.03422	1.0
105.07053	0.5
107.04960	14.6
108.05293	1.1
109.02876	2.8
110.97605	0.5
113.06043	0.6
115.07591	0.8
116.98663	1.4
123.04437	1.4
123.08032	0.8
127.03964	3.6
128.98515	0.5
130.06528	6.5
132.04422	0.5
134.99707	0.5
135.08150	0.5
139.03880	0.7
141.05472	1.4
141.09105	5.8
145.04921	2.7
147.04407	0.5
148.07568	0.8
158.06023	81.3
158.99622	1.1
159.06448	1.5
159.10178	0.7
161.02887	0.5
161.41640	0.5
163.03969	0.5
164.07127	0.7
164.96465	0.5
176.07080	100.0
177.00726	0.9
177.07422	1.0
188.10297	0.7
199.08717	0.8
208.04955	0.5
219.01839	0.8
235.61583	0.4
237.02875	0.6
245.10580	0.9
260.09186	0.6
269.10641	1.1
287.11612	1.0
338.05792	1.1
338.09235	1.0
338.12350	21.1
339.10413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03947	1.5
55.01862	1.0
55.05516	28.6
56.96569	1.8
57.03444	15.2
57.07079	3.7
65.03941	2.6
67.05511	58.7
69.07073	36.3
69.07463	1.2
69.79014	0.7
70.06760	2.9
71.04977	1.2
71.08627	1.8
79.05502	15.0
81.03415	1.0
81.07065	57.2
83.04975	1.4
83.08626	17.8
85.06536	2.0
87.12698	0.7
91.05497	11.1
93.07055	16.6
95.05000	1.3
95.08613	40.2
97.06538	3.8
97.10172	8.9
99.08096	1.5
104.56369	0.8
105.07040	7.7
107.08616	8.3
109.10164	15.9
111.08098	2.0
111.11721	1.6
112.40521	0.7
119.08612	6.2
121.10151	7.0
123.08121	0.8
123.11733	6.5
125.09617	1.2
131.08617	0.8
133.10121	5.9
135.11719	3.8
137.09682	0.8
137.13271	2.7
139.11143	0.8
147.11694	3.3
149.13254	2.1
151.11229	1.0
151.14838	1.5
153.12779	0.9
159.11729	1.0
161.13266	2.9
163.14815	2.0
167.44141	0.7
175.14861	2.0
242.83997	0.8
245.22681	1.4
263.23737	2.9
267.09097	1.4
268.09222	0.7
285.10117	2.7
337.27383	100.0
338.27682	1.1
341.48883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01887	5.2
55.05268	1.9
55.05514	24.9
57.03437	18.2
57.07080	20.0
59.04997	1.4
61.02924	3.1
67.05174	1.7
67.05504	21.8
69.03429	17.7
69.07074	16.6
70.90796	2.1
71.01353	4.1
71.05001	9.4
73.02917	9.5
73.06561	2.4
79.05497	32.3
81.03416	4.7
81.07059	43.2
81.58427	1.1
83.04990	7.4
83.08616	7.4
85.02904	10.0
85.06544	27.2
87.04453	3.4
91.05486	18.8
93.07047	16.1
95.04984	5.2
95.08605	16.1
97.02899	2.3
97.06538	6.0
97.10170	2.2
99.04449	7.6
99.08098	4.7
103.03956	4.3
103.07584	2.5
105.07046	4.5
107.04958	1.4
107.08603	8.8
109.06521	21.6
109.10146	2.5
111.04418	5.1
111.08084	33.5
113.06010	1.2
115.03905	5.4
115.07560	3.9
116.75294	1.0
117.07043	2.6
121.10145	2.4
123.08073	5.1
123.11684	1.3
125.09660	6.5
127.07565	15.4
129.09119	4.2
133.10129	31.5
135.08066	5.8
141.09126	2.9
145.08609	1.3
149.09625	100.0
153.09116	21.7
171.10165	27.9
171.11644	1.5
189.11244	8.7
190.12221	1.3
211.14746	0.9
227.28316	0.9
337.27325	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	337.2375
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03947	2.7
53.44729	1.1
54.59649	1.2
55.01856	3.9
55.05512	62.1
56.96556	6.3
57.03437	3.4
57.07066	5.2
58.11499	1.2
59.04997	2.9
67.05503	22.2
69.03430	10.1
69.07069	36.4
70.69321	3.3
71.01360	3.7
71.04994	20.8
79.05493	18.8
81.03418	2.8
81.07059	56.3
82.07378	1.4
83.04974	13.1
83.08611	6.7
85.02889	1.9
85.06542	4.8
87.08121	2.0
91.05483	19.6
93.07045	52.7
93.07635	2.8
95.04977	10.9
95.08609	47.0
97.06535	12.4
97.10169	100.0
98.97604	6.8
99.04445	3.8
99.08091	1.9
105.03377	2.3
105.07038	29.3
107.04966	2.8
107.08596	38.4
109.02853	2.5
109.06519	8.1
109.10164	31.5
111.04442	1.5
111.08097	6.1
111.11729	4.7
115.05496	1.5
116.86765	1.1
116.98618	2.2
117.06992	3.3
119.07800	2.4
119.08585	30.4
121.06500	5.4
121.10146	35.5
123.08069	8.6
123.11710	12.8
125.09634	23.1
125.13236	2.0
127.07552	1.5
129.06996	1.4
130.07773	1.9
131.08582	7.8
133.10135	20.5
135.08058	6.4
135.11696	22.9
137.09616	9.4
137.13246	1.8
139.07584	1.2
139.11168	10.0
141.09099	4.9
142.07796	1.8
143.08583	5.4
143.10669	29.4
145.10143	13.7
147.04413	1.5
147.08025	3.1
147.11684	17.3
149.09630	9.7
149.13252	18.3
151.07516	6.0
151.11192	7.8
153.09047	2.6
153.12743	3.6
155.10692	1.2
157.10129	4.8
157.12215	3.2
158.99654	1.4
159.11700	15.9
161.09610	4.5
161.13232	6.5
163.11220	12.5
163.14862	3.6
165.09138	4.6
165.12772	3.2
167.10670	2.1
167.14444	1.6
171.10245	2.2
171.11678	4.5
173.13264	6.8
175.11206	9.9
175.14845	6.4
177.05453	3.0
177.12749	9.6
179.10623	2.7
181.12250	10.6
185.13243	3.1
187.14836	3.5
189.11272	2.7
189.12750	3.0
189.16367	2.1
191.14284	1.6
193.12221	3.1
193.15843	2.4
195.13821	5.3
199.14838	3.4
201.16353	1.9
203.14337	4.3
205.15964	1.4
207.13843	1.7
209.15263	1.9
213.16251	1.6
217.15948	1.5
221.15240	1.8
229.19400	2.1
235.17007	2.0
237.14886	1.3
255.21016	3.5
257.18967	1.8
273.21951	5.9
275.20081	4.7
277.14734	3.9
283.20551	5.5
289.21628	2.6
291.23196	8.8
293.21075	19.4
295.15622	2.6
301.21637	30.4
313.16797	1.6
314.15613	1.4
319.16119	1.9
319.22617	21.4
322.17004	1.3
323.15762	1.5
328.17175	2.9
337.10767	3.0
337.17487	15.3
337.23547	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	337.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01863	1.7
55.02925	0.6
55.05499	3.1
56.96561	0.9
57.03426	1.2
57.07072	0.9
60.18963	0.6
61.02925	0.9
64.43892	0.5
64.92100	0.6
67.05511	8.7
69.03433	3.0
69.07076	7.6
69.60495	2.0
69.60909	1.8
70.06596	0.8
71.04993	100.0
73.02917	0.7
79.05490	12.6
81.03416	0.8
81.07056	5.0
83.05005	1.8
84.08154	0.7
85.02906	6.6
85.74135	0.6
87.04474	0.8
87.12178	0.6
89.03899	0.9
91.05473	2.4
93.07047	15.0
95.04988	0.9
95.08607	10.1
97.02889	3.9
97.06545	8.7
98.97595	2.8
105.03408	2.0
105.07031	1.5
107.04989	0.7
109.02888	0.8
109.10170	2.2
109.10876	0.7
110.97594	0.6
111.04441	0.7
111.08076	1.1
116.98635	1.1
121.10143	11.5
122.06050	1.0
123.04449	1.6
123.08090	0.8
127.03928	2.0
127.11210	1.0
128.28481	0.6
131.05000	0.9
139.03915	1.0
139.11180	11.0
141.09122	1.1
145.05025	1.0
147.04445	1.1
152.07144	1.0
157.08711	1.3
157.12242	43.4
163.03912	3.9
164.07172	0.9
166.04993	1.4
174.14920	0.6
175.08763	1.1
175.13300	26.1
181.05145	0.6
201.06010	0.8
215.01378	0.6
219.01736	1.1
219.06599	1.2
237.02859	0.7
259.10764	0.8
264.03824	0.6
275.09311	1.0
283.10696	1.1
301.11783	1.6
319.12772	2.4
337.05374	9.7
337.09293	3.2
337.13797	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01869	2.7
55.05512	7.6
56.96556	3.6
57.03440	1.8
57.07079	1.0
61.02920	0.8
65.03941	1.0
67.05504	11.7
69.03422	3.5
69.07069	8.4
70.72999	1.6
70.73370	0.9
71.04991	2.7
73.02900	0.8
79.05495	10.2
80.05857	0.7
81.03420	2.4
81.07057	32.7
83.04983	4.0
83.08625	3.3
84.96047	1.3
85.02905	3.4
85.06529	2.2
91.05479	17.4
93.07048	10.5
95.04968	8.0
95.08604	10.1
97.02885	1.5
97.06541	9.0
97.10168	4.1
98.97592	3.8
99.04417	1.1
99.08080	2.2
105.03424	2.2
105.07033	19.9
107.04955	3.2
107.08601	11.1
109.02892	2.1
109.06521	5.4
109.10176	6.0
111.08086	1.5
113.06001	1.6
116.98658	1.4
117.07033	1.7
118.37157	0.8
119.08582	23.5
121.10148	11.8
123.04474	0.9
123.08092	2.7
123.11699	12.5
125.06143	0.9
125.09631	1.7
127.03925	11.1
127.07543	0.8
129.06981	4.7
131.08568	3.3
131.68520	0.7
133.06526	1.2
133.10132	10.5
135.11700	2.1
136.75143	0.9
137.05980	1.9
137.09613	1.5
137.13277	1.1
139.03931	3.9
142.07790	1.5
145.10164	3.1
147.04405	1.2
147.08041	1.7
147.11691	49.0
149.09612	3.0
149.13242	1.4
151.11183	1.8
153.01830	32.0
155.08582	0.9
157.10135	10.8
159.11699	2.3
161.09625	1.1
161.13304	1.1
163.03923	2.2
165.05560	0.9
165.12753	18.0
173.13277	0.9
175.11191	17.4
177.05571	1.3
177.12732	0.7
183.13799	1.7
188.03290	0.7
189.12694	3.7
193.12234	5.8
211.13292	3.0
217.12189	1.0
229.14357	100.0
285.10187	1.2
288.64365	1.2
289.14752	1.1
295.16055	0.8
301.21637	2.6
309.16989	1.0
312.66174	0.8
313.16458	1.0
319.15552	1.7
319.22626	2.7
319.26147	0.9
322.17154	1.0
337.10587	2.1
337.16541	6.9
337.19937	2.9
337.23914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06977	1.0
55.01879	1.1
55.05507	2.3
65.03938	7.0
67.05503	2.3
69.03426	1.6
69.07026	1.5
71.04983	2.0
71.33588	1.7
79.05473	3.1
81.03410	2.4
81.07030	3.2
82.06561	2.3
85.02896	1.3
87.04422	1.5
89.55253	1.1
91.05473	2.0
92.05004	8.2
93.07033	1.6
94.06602	1.4
94.71481	1.2
95.04926	1.6
95.08592	2.9
96.08128	7.9
97.06531	2.9
98.97569	1.9
105.03387	4.0
105.07015	2.0
107.08602	1.1
109.06499	1.7
110.06010	2.2
112.17474	1.1
119.08587	3.5
120.04445	1.8
121.10114	1.5
122.05998	1.7
124.07591	9.0
126.09157	15.9
128.07053	6.0
129.07408	2.6
133.10117	1.5
138.09143	5.5
147.01312	1.1
148.03937	7.3
150.05504	2.9
150.09174	1.8
152.07063	51.5
163.03876	1.6
164.03426	1.2
166.05008	92.8
168.06532	1.2
172.11105	1.3
174.05479	1.6
175.14738	1.7
176.03400	14.4
182.04514	16.4
182.09669	1.3
183.09224	1.1
184.07741	1.8
184.09882	2.4
194.04489	10.6
198.07762	2.9
199.08618	2.7
199.12276	1.4
200.10690	4.4
209.10678	1.3
211.08594	2.9
212.09460	4.5
213.06468	1.4
215.08179	1.8
225.10185	4.0
226.07341	1.1
226.10947	1.7
227.08142	2.9
227.11833	8.1
228.10190	6.9
229.13374	2.4
233.09241	2.3
240.08722	5.0
241.09657	2.3
242.10577	3.0
243.11249	3.9
245.09233	1.9
245.12955	1.4
253.09741	6.4
254.08194	1.2
255.11317	7.8
257.09290	5.2
257.12772	3.4
259.07089	3.6
261.12479	2.0
270.09985	1.5
271.10797	15.5
272.09116	3.3
273.12366	3.9
283.10776	76.3
288.10995	2.4
289.11880	10.7
301.11832	60.9
319.12878	100.0
337.08881	12.9
337.12338	2.4
337.14905	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.05495	0.4
62.09127	0.3
64.00800	0.4
67.05498	0.9
67.60019	0.3
69.03436	0.6
70.53816	0.3
70.87409	0.9
71.05004	1.3
72.28272	0.3
76.54945	0.4
79.05461	0.5
80.74961	0.3
81.03378	0.4
81.07057	1.0
83.51615	0.4
85.02882	1.1
91.05496	0.5
93.07049	1.0
95.04966	0.9
95.08594	0.5
98.38540	0.3
98.97559	0.6
99.08054	0.4
100.00134	0.4
105.07037	0.8
109.10139	0.5
114.97524	0.3
121.10117	1.1
121.40838	0.3
127.07593	0.4
133.10124	0.5
140.11516	0.4
165.17419	0.3
175.03700	6.4
175.08676	0.4
185.02567	0.6
185.04230	10.2
209.91679	0.4
210.83990	0.4
233.82941	0.4
235.33153	0.3
238.37288	0.3
241.23610	0.4
302.20959	0.4
305.06186	0.5
337.08951	100.0
338.09293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
56.96553	0.5
67.05496	1.0
69.03421	1.1
69.07067	0.5
71.04984	1.3
71.07491	0.7
74.75944	0.4
79.05492	1.0
81.03409	0.7
81.07047	1.2
81.20718	0.4
85.02907	1.2
87.04441	0.5
91.05477	0.8
93.07033	1.0
94.59556	0.4
95.04976	0.5
95.08600	0.7
95.45545	0.4
97.06555	0.5
98.97578	0.9
107.04941	0.4
107.08578	0.6
109.02876	0.4
109.10145	0.6
109.88859	0.4
119.08582	0.7
121.10109	0.7
122.10476	0.5
133.10039	0.5
135.11729	0.5
137.09644	0.6
139.11183	0.6
141.80724	0.5
150.07703	0.7
160.63626	0.4
175.03699	6.9
185.04227	9.3
319.19089	0.4
337.08948	100.0
338.09265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0891
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
56.96562	4.0
57.03431	1.6
60.08188	0.9
61.02921	1.4
67.05496	1.3
69.03416	3.7
69.07045	0.9
69.86658	3.4
69.87061	1.7
71.04977	2.2
71.74767	1.0
73.02926	1.4
79.05487	2.0
81.03400	4.7
81.07053	2.2
85.02920	8.3
87.04462	1.3
89.06023	1.0
95.04951	2.7
97.02884	3.5
98.20847	1.8
98.97598	8.2
105.01913	1.1
105.03375	3.9
107.04959	8.9
109.02873	1.9
109.72724	0.9
110.97599	1.6
116.98602	3.1
122.06062	1.0
123.04416	1.7
127.03188	1.5
127.03970	2.9
128.98601	1.7
135.04430	1.5
136.07556	2.4
139.03934	1.3
142.17625	1.0
143.01949	1.1
146.99611	1.5
152.07059	1.0
158.06026	2.5
158.99719	1.5
161.07126	7.0
163.03903	4.6
164.07092	3.7
164.21523	1.1
175.03711	3.0
176.07040	3.5
177.00618	2.3
182.08119	1.8
186.10616	1.7
187.10849	2.9
191.06911	1.1
198.96896	1.0
203.05241	4.1
204.04189	1.1
219.01767	2.9
219.06679	1.5
237.02876	2.1
260.06763	1.4
275.09286	1.2
319.04340	1.9
319.12888	4.7
337.05234	15.1
337.08932	100.0
337.13739	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01861	5.2
55.05503	3.4
56.96557	4.2
57.03424	2.1
61.02917	7.3
67.05512	9.5
69.03410	5.2
69.07066	7.4
69.43988	1.3
69.63010	8.7
71.04995	100.0
73.02908	1.6
79.05485	12.7
81.03401	2.8
81.07040	7.0
82.07392	1.5
82.52489	1.3
83.08634	1.7
84.08131	2.4
85.02921	15.8
85.06535	1.7
91.03960	1.6
91.05476	5.2
93.07045	17.9
95.04953	3.0
95.08622	11.2
96.20448	1.7
97.02909	8.5
97.06541	9.2
98.97582	7.0
99.00858	1.6
101.02373	2.6
103.05453	9.4
105.03394	4.4
105.07031	5.0
107.04961	4.7
107.08627	1.7
108.05337	1.9
109.02905	1.7
109.06496	2.6
109.10138	1.7
110.97562	1.6
115.05466	4.8
116.98577	3.1
117.07060	3.3
118.04151	3.0
119.04933	2.2
121.06440	1.5
121.10173	11.6
123.04427	3.1
125.05949	1.5
127.03896	4.7
128.06154	1.8
130.04111	2.3
131.04921	33.9
131.08545	2.4
133.06476	4.6
135.02043	1.5
135.04369	2.6
139.03868	2.3
139.07538	5.1
139.11180	9.1
140.07880	4.1
141.06999	9.5
141.09111	1.9
143.00182	1.6
143.04947	2.9
144.05679	3.2
145.06477	3.8
146.03593	5.4
147.04398	6.5
148.05231	1.7
155.06963	2.2
157.02802	2.9
157.06485	6.0
157.08607	3.7
157.12238	40.5
158.05991	2.5
158.07272	2.5
158.99762	1.9
159.04384	6.6
161.05951	12.5
163.02753	1.8
163.03908	9.7
164.07123	2.2
167.06978	2.6
169.06485	10.2
171.04393	3.8
173.05951	6.2
174.03090	2.3
175.03867	4.7
175.08708	4.9
175.13306	30.6
175.14850	2.8
175.15367	1.8
176.04666	7.0
178.06210	3.6
181.04948	2.9
184.05241	1.8
185.06009	3.3
186.06747	4.4
187.03923	18.3
187.07515	6.5
188.04594	2.2
189.01851	8.0
189.05473	8.6
190.06274	2.4
191.07030	27.6
193.08688	3.5
197.05974	9.1
199.03877	3.8
201.05487	3.1
203.03372	3.2
203.07007	3.8
204.04224	15.4
204.07819	1.8
205.04947	4.9
205.08615	3.9
206.05789	2.1
211.07486	1.6
213.05495	3.5
214.06262	3.1
215.07036	11.6
216.04230	2.0
217.04968	8.1
218.05716	4.1
219.06520	26.6
221.08075	2.8
229.04997	2.1
229.08655	5.0
231.03047	2.4
231.06543	5.6
232.07275	2.9
233.08171	3.6
235.06009	5.0
237.02867	2.1
239.07062	2.5
241.09711	3.3
242.05798	3.3
243.06519	11.1
244.03690	3.6
245.04439	12.1
245.08052	8.1
247.09608	10.3
249.07631	4.2
257.08109	13.7
259.06119	2.1
259.11002	2.1
260.06793	22.7
261.07568	3.6
262.04745	6.6
263.05530	8.3
273.07611	5.3
275.06079	2.8
275.09146	54.2
277.07126	27.8
287.05524	8.0
301.07117	5.3
301.11713	3.3
301.20154	1.6
319.08124	11.8
319.12820	6.3
337.05261	21.8
337.09207	12.6
337.13846	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	337.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	45.9
69.97240	1.8
69.97643	3.1
70.98125	34.2
71.95270	5.2
72.96050	2.6
74.97639	1.0
84.96055	6.4
85.02910	1.3
88.99168	13.3
94.21797	0.9
98.97590	100.0
110.97580	32.3
110.98345	1.6
111.40495	1.0
112.99132	8.0
115.00688	2.9
116.98629	27.8
123.14156	0.9
124.95479	15.7
124.99139	1.8
126.97039	2.2
127.00718	1.1
127.70853	0.9
128.98611	38.9
128.99579	1.9
131.00188	6.1
133.01729	3.1
134.99655	4.1
140.98625	5.1
142.96526	7.5
143.00156	2.4
144.98077	2.1
145.01788	1.7
146.99661	30.4
149.01213	1.2
152.94931	8.2
152.98627	1.9
154.96530	2.0
156.98112	7.3
158.99673	9.0
160.97681	1.1
161.01242	1.9
165.00771	7.4
170.96034	27.4
170.99681	5.9
172.97586	3.5
173.01212	1.5
173.29221	0.9
174.99158	8.8
175.02792	2.3
177.00661	3.0
184.96068	1.8
184.97586	15.5
186.99133	3.9
188.97083	28.7
189.00705	24.6
190.98598	1.8
191.02286	1.9
193.00211	3.7
193.03880	2.2
198.99147	1.5
201.00688	3.0
202.98633	20.7
205.00221	9.8
206.98251	6.2
207.01753	11.5
212.97057	13.8
214.98611	1.9
217.00237	9.0
219.01773	14.7
220.99730	7.4
223.01292	4.1
224.99174	1.0
225.02965	1.3
230.98146	31.2
232.99721	1.7
235.01266	7.4
237.02780	10.5
239.00726	1.6
244.99702	29.9
247.01271	2.8
248.99284	8.0
249.02820	5.0
253.02441	1.1
263.00754	55.4
265.02225	0.9
267.03836	3.1
277.02304	21.0
277.05927	9.9
281.01871	5.0
286.02295	1.5
295.03391	5.5
295.07019	23.5
305.01764	6.6
337.04355	2.6
337.08258	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	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
54.68878	1.7
65.19533	1.3
69.64957	7.4
71.06609	1.4
81.40483	1.5
98.97562	1.8
101.00860	3.0
110.07909	1.4
145.03433	3.5
155.01836	2.2
157.03462	3.1
217.01979	2.9
322.40521	1.4
336.45013	1.3
337.08804	100.0
353.28680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18943	1.7
53.03945	5.9
54.39929	1.6
55.01866	4.0
55.05515	37.4
57.03442	9.3
57.23368	1.5
61.02932	10.1
67.05502	12.4
69.03432	90.0
69.07060	10.6
71.04983	5.8
71.40833	1.8
72.04501	3.5
73.02895	4.4
79.05500	59.1
81.03432	8.9
81.07061	11.6
82.06582	12.5
83.04974	3.9
83.08614	18.6
85.02911	100.0
86.09699	3.7
87.04485	3.7
91.03960	4.9
91.05466	7.9
93.07053	77.0
95.04997	2.8
95.08054	2.4
95.08620	27.7
97.02903	22.5
97.06507	2.7
99.04456	4.0
100.07626	1.5
100.11262	63.4
105.04532	2.0
105.07004	4.2
107.04954	3.3
107.08528	1.8
109.02887	8.6
110.06040	8.5
111.04397	2.1
118.17999	1.8
120.08115	4.3
121.10152	92.4
123.11694	1.5
127.00095	1.6
127.03929	22.7
127.08692	4.5
128.07060	2.3
129.03079	3.3
139.08632	13.5
139.11143	10.1
143.11806	4.3
145.03917	3.0
145.04971	40.9
146.06024	6.6
156.13773	1.8
163.06004	4.2
174.05487	5.3
174.14914	3.5
180.08612	2.5
182.15422	6.2
209.16505	66.8
210.14960	12.4
210.16769	2.1
228.15985	6.9
245.04929	1.6
318.09750	1.9
336.22556	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	337.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	0.7
56.96569	11.0
64.34045	0.3
70.32811	0.5
70.33161	1.3
71.95264	0.7
73.02899	0.4
74.93171	0.6
74.97617	1.7
84.13844	0.3
84.96023	0.7
85.02897	0.5
97.02913	1.0
98.97588	100.0
101.00862	0.6
110.97594	1.8
112.99123	1.6
116.98624	26.3
117.93036	0.3
119.01929	1.5
121.01688	0.4
124.99170	0.6
126.97037	3.9
127.86528	0.4
128.98607	1.2
131.00160	1.0
134.99658	4.3
138.97032	0.4
140.00233	0.5
140.98586	0.6
143.00163	4.3
144.98103	5.1
146.99698	0.7
155.01843	0.5
156.98030	0.7
158.99687	6.5
159.00990	0.3
161.01230	2.2
162.99182	2.1
168.98122	0.5
170.99716	0.4
172.94418	0.6
174.99072	0.5
177.00761	5.0
186.99152	9.7
189.00681	2.6
194.97707	0.4
196.97502	0.4
198.99217	0.7
201.00850	0.8
205.00215	33.5
207.01819	0.9
214.95651	0.5
216.98689	0.4
217.00240	9.6
219.01958	2.2
220.02200	1.3
223.01250	6.4
223.04745	0.5
228.01747	0.7
235.01292	16.8
237.02887	1.2
240.06644	1.6
247.01263	3.4
249.02946	2.3
252.96303	0.5
253.02332	1.1
254.93459	1.0
256.96542	0.5
258.02988	0.5
258.99643	0.4
261.03021	2.6
267.04092	0.6
270.91031	0.5
270.99063	1.2
271.99286	1.5
272.94672	0.7
272.98804	0.4
277.02408	5.8
279.03995	0.5
288.92023	0.8
290.95328	0.5
295.03400	10.2
295.08853	1.1
295.98108	1.1
310.96188	1.0
311.46127	0.7
313.04428	2.7
314.00067	1.8
314.95645	0.5
319.03302	1.0
326.57813	0.4
337.04358	2.2
354.94867	0.4
355.05368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01856	1.9
55.05502	0.7
56.96554	1.0
57.03419	1.0
61.02924	0.9
67.05498	2.9
69.03432	2.5
69.07065	1.1
69.71606	3.0
71.04981	1.9
73.02913	0.4
79.05489	9.1
81.03407	1.1
81.07051	9.9
83.04984	1.7
83.08617	0.7
85.02902	5.6
85.06533	1.5
91.05479	3.9
92.09503	0.4
93.06477	0.9
93.07040	11.9
95.04960	5.2
95.08606	0.9
97.02884	2.3
97.06532	8.0
98.97588	1.5
103.05491	1.5
105.03409	0.9
105.04494	0.6
107.04951	8.1
108.05293	0.6
109.02903	0.7
109.06526	6.0
111.04415	1.3
111.08083	3.7
116.98567	0.8
118.22639	0.5
121.06491	4.5
123.04449	0.7
127.03944	1.0
127.07556	8.7
131.04901	0.7
135.04440	0.7
139.07536	100.0
140.07881	0.8
141.70639	0.5
145.04953	0.7
156.08061	1.4
156.13902	1.3
157.08600	27.8
158.99744	0.6
163.03952	1.0
174.09132	1.3
174.14851	2.4
186.10611	0.6
191.07086	0.5
195.06485	0.5
219.01924	1.1
219.06544	0.6
237.02840	0.5
247.09647	0.4
260.06787	0.6
275.09113	0.6
277.07104	0.8
297.30963	0.5
318.11713	1.1
325.05774	0.8
336.14264	1.2
336.20236	0.8
337.05383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84157	0.4
67.05485	0.4
69.33566	3.7
72.82883	0.4
95.08566	0.4
104.14487	0.4
118.61183	0.4
120.93658	0.4
129.03668	0.4
157.75363	0.5
195.09962	1.4
202.18246	0.4
247.33621	0.4
335.21927	100.0
336.22235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05512	4.7
55.21553	0.5
56.96564	0.8
57.03446	4.6
57.07071	0.7
67.05511	18.0
69.07069	4.3
69.87954	1.7
69.88354	1.2
78.18977	0.5
79.05497	9.8
81.06593	1.0
81.07062	18.0
83.04965	0.6
83.08613	2.0
87.20853	0.5
91.05487	4.2
93.07048	10.4
95.04974	0.9
95.08611	13.0
97.10144	1.0
98.21441	1.0
105.07059	2.6
107.08592	5.7
109.09565	0.6
109.10163	5.7
117.07039	1.1
119.08591	3.0
121.10139	5.7
123.07982	0.6
123.11695	1.9
131.08571	1.5
133.10129	2.4
135.11694	4.1
145.10120	1.5
147.11688	1.5
149.13248	2.0
159.11713	0.9
161.13248	1.5
163.14790	1.7
166.13034	0.6
173.13301	1.0
187.55164	0.5
195.09877	1.7
243.21097	2.4
261.22141	2.1
281.27316	0.6
335.21872	100.0
335.25806	34.2
336.22079	1.3
350.98465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	3.4
55.05516	16.3
55.39975	0.8
57.03154	1.0
57.03439	18.6
57.07071	1.9
58.18699	0.7
59.07597	0.8
59.16983	0.7
65.03921	2.7
67.05510	64.6
69.07071	15.7
70.71213	2.4
71.05006	1.2
77.76913	1.0
79.05497	30.5
81.07062	52.7
83.04993	1.6
83.08618	5.5
85.06546	1.8
91.05488	15.6
93.07050	32.3
95.04974	1.7
95.08615	43.5
97.06537	1.9
97.10154	2.4
105.07037	8.8
107.08593	16.8
109.06540	0.9
109.10167	14.1
111.08117	1.1
117.07019	3.1
119.08582	7.0
121.10147	12.9
123.08097	1.3
123.11707	6.1
126.83788	0.8
131.08574	4.4
133.10123	5.7
135.08102	1.2
135.11708	7.4
137.09622	0.9
137.13330	1.0
145.10133	3.5
147.11678	3.1
149.13261	3.4
159.11705	1.8
161.13237	2.4
170.66341	0.8
173.13307	2.2
187.14789	1.0
243.21210	1.0
261.22177	2.5
335.25818	100.0
336.26324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.44839	1.9
53.03941	3.8
55.05515	19.6
57.03439	16.8
67.05508	66.1
69.07073	14.7
69.56716	12.1
71.05003	2.2
79.05495	29.3
81.06591	3.6
81.07059	67.0
83.08630	6.2
91.05481	14.9
93.07043	34.6
95.04979	2.7
95.07996	2.6
95.08607	50.0
95.92287	1.7
97.10175	2.7
98.21478	3.8
99.08118	2.6
105.07020	10.5
107.08590	19.2
109.06488	2.1
109.10163	21.4
117.06994	3.1
119.08569	7.0
121.10145	17.3
123.11693	8.8
131.08568	7.3
133.10126	7.7
135.11717	11.3
137.13280	2.1
145.10123	4.0
147.11678	4.7
149.13255	4.7
159.11662	2.6
161.13266	3.6
173.13406	3.9
187.14885	2.5
243.21019	3.0
261.22107	7.3
268.15564	2.0
335.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78328	0.3
53.03955	0.4
53.81988	0.3
55.05503	0.5
55.58325	0.3
56.05037	0.6
57.03429	0.5
58.90136	0.3
60.04519	0.9
61.02917	0.4
67.04256	0.5
67.05493	0.5
69.03413	1.4
69.07053	0.7
69.97131	0.7
69.97549	1.3
70.06592	1.8
71.04989	0.7
72.08161	1.7
72.08504	0.3
79.05493	1.6
81.03422	0.7
81.07045	0.6
82.06585	17.0
82.07079	0.8
83.84850	0.3
84.08133	0.3
85.02913	2.0
86.06062	0.5
86.09698	1.2
91.05470	0.8
93.07025	0.9
95.08598	0.8
97.02892	2.1
97.13561	0.3
100.07635	3.9
100.37536	0.4
103.05476	3.7
107.04949	1.3
109.02843	0.3
111.04441	0.6
111.11681	0.5
114.05563	0.8
115.03928	0.5
120.08105	0.4
120.35909	0.4
127.03848	0.7
128.07085	100.0
129.07367	0.4
130.05002	0.5
131.04919	1.4
139.07559	0.4
139.11218	0.5
142.08638	7.3
145.04922	0.4
146.06017	0.6
153.80107	0.4
156.06622	0.7
157.08665	0.5
157.12219	0.6
166.08667	0.6
174.07680	2.2
174.09001	0.6
177.03398	0.6
188.09203	3.6
204.10181	0.4
214.06940	0.4
243.08577	0.4
252.10057	0.5
288.10757	0.5
290.13873	5.1
318.11792	0.9
336.14484	27.4
337.14481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78328	0.3
53.03955	0.4
53.81988	0.3
55.05503	0.5
55.58325	0.3
56.05037	0.6
57.03429	0.5
58.90136	0.3
60.04519	0.9
61.02917	0.4
67.04256	0.5
67.05493	0.5
69.03413	1.4
69.07053	0.7
69.97131	0.7
69.97549	1.3
70.06592	1.8
71.04989	0.7
72.08161	1.7
72.08504	0.3
79.05493	1.6
81.03422	0.7
81.07045	0.6
82.06585	17.0
82.07079	0.8
83.84850	0.3
84.08133	0.3
85.02913	2.0
86.06062	0.5
86.09698	1.2
91.05470	0.8
93.07025	0.9
95.08598	0.8
97.02892	2.1
97.13561	0.3
100.07635	3.9
100.37536	0.4
103.05476	3.7
107.04949	1.3
109.02843	0.3
111.04441	0.6
111.11681	0.5
114.05563	0.8
115.03928	0.5
120.08105	0.4
120.35909	0.4
127.03848	0.7
128.07085	100.0
129.07367	0.4
130.05002	0.5
131.04919	1.4
139.07559	0.4
139.11218	0.5
142.08638	7.3
145.04922	0.4
146.06017	0.6
153.80107	0.4
156.06622	0.7
157.08665	0.5
157.12219	0.6
166.08667	0.6
174.07680	2.2
174.09001	0.6
177.03398	0.6
188.09203	3.6
204.10181	0.4
214.06940	0.4
243.08577	0.4
252.10057	0.5
288.10757	0.5
290.13873	5.1
318.11792	0.9
336.14484	27.4
337.14481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
52.63015	0.4
52.71152	0.4
54.41250	0.4
55.05505	0.6
56.96555	0.9
62.99641	0.4
67.05495	0.6
69.58974	3.3
79.05495	0.5
81.07053	1.3
91.05498	0.9
93.07022	0.6
95.08623	1.2
105.07027	0.6
112.95208	0.5
119.08601	0.9
123.08746	0.5
133.10117	0.6
137.06006	1.0
208.99689	0.4
229.67500	0.4
243.59425	0.5
247.11810	0.5
275.20157	0.7
317.20886	0.5
335.21930	100.0
336.22318	1.4
341.74472	0.5
353.21503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
53.93809	0.4
67.05484	0.4
69.76562	2.4
94.55798	0.4
99.60861	0.4
124.96915	0.4
195.09946	1.4
207.55936	0.4
238.62427	0.4
335.21921	100.0
336.22348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02978	0.3
53.03925	0.6
55.01868	0.7
55.05486	0.4
56.96562	3.7
57.03435	0.8
61.02921	1.1
65.32497	0.3
69.03439	2.5
70.09036	1.2
71.04970	0.5
73.02916	1.2
73.06557	0.5
77.10046	0.3
78.21946	0.3
81.03421	0.5
84.96033	0.6
85.02911	4.6
87.04475	0.7
91.03923	0.3
92.05792	0.3
95.04991	0.3
97.02895	2.9
98.03232	0.3
98.20822	0.4
98.97588	8.1
99.04438	0.5
101.00831	0.4
105.03406	2.0
107.04960	0.9
109.02874	0.5
110.97580	1.6
112.99124	0.8
116.98647	2.1
119.01906	0.7
119.04957	0.4
123.05544	1.1
127.03918	1.1
128.35493	0.3
128.98595	1.1
131.00177	0.6
131.01935	0.7
137.05972	1.9
138.06287	0.7
140.98625	0.3
143.00177	0.7
143.01913	0.9
145.01758	0.5
145.04929	1.0
147.03308	0.4
147.04353	1.4
148.04828	0.4
149.01195	0.3
155.01912	0.8
155.04642	0.9
155.07047	0.5
155.54839	0.3
156.03354	0.5
158.99648	2.3
160.00003	0.3
161.01215	0.3
161.02983	1.1
164.55334	0.3
168.03346	0.4
170.99718	0.4
172.09805	0.4
172.97520	0.3
173.01089	0.3
173.02887	0.9
173.06602	0.9
173.07892	4.6
177.00682	1.4
179.07085	0.4
185.06601	1.0
186.04427	0.9
187.02769	0.3
189.00751	0.5
190.98703	0.4
191.05757	0.3
191.07571	0.5
197.01273	0.3
199.04378	0.3
201.00699	0.7
203.07646	0.5
204.05367	0.6
215.02156	0.5
219.01799	2.6
220.02080	0.4
227.06949	0.4
227.57008	1.0
235.92358	0.3
237.02774	2.5
239.51007	0.4
243.07840	0.4
244.07741	0.7
244.57970	3.2
245.08405	0.4
253.03828	0.3
275.09915	1.4
280.57288	1.3
293.10791	1.3
297.11319	0.7
309.08707	0.3
310.08990	0.3
325.60681	2.5
326.10712	0.7
335.13126	100.0
336.13647	0.5
353.07550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
65.03945	3.2
65.97869	0.7
65.98553	0.7
67.05510	5.5
69.03426	0.9
69.07071	100.0
69.19653	6.2
76.00059	0.7
79.05508	2.6
80.05022	1.2
81.07059	5.1
83.62975	0.7
91.04217	0.7
91.05470	1.1
92.05021	3.0
93.05796	0.8
93.07069	1.5
94.06552	4.1
95.04997	2.4
96.08123	1.2
97.06542	17.0
105.06985	1.1
108.04478	0.9
109.02915	1.1
109.06505	1.8
116.47913	0.8
119.03696	0.9
120.04517	1.2
121.05235	1.0
121.06514	0.8
122.06036	8.8
122.87116	0.7
124.07593	2.4
125.05980	1.4
126.78751	0.8
137.06001	3.9
138.05525	5.7
140.07076	8.6
141.07829	0.8
142.08685	1.0
144.08080	3.1
145.08871	3.6
145.10013	1.7
146.05998	0.9
146.09674	4.2
147.06833	1.2
148.03979	4.0
150.05513	78.2
151.05756	0.9
152.03505	1.2
157.08849	2.0
158.06044	0.8
158.09671	1.1
159.10466	1.3
160.07671	0.9
160.11223	0.9
161.08371	3.6
162.09169	2.4
164.03416	1.4
165.04283	1.5
166.05008	30.3
167.07315	0.7
168.06564	1.8
168.07974	0.9
172.07608	2.3
172.11232	5.8
173.08408	1.9
174.09143	1.6
174.12759	6.3
176.03455	9.0
178.05014	1.8
185.08449	1.7
186.07669	1.8
186.09187	1.5
187.09857	0.9
188.07098	1.2
190.08640	1.3
190.12257	4.9
191.03404	0.9
194.04515	3.5
198.07718	1.1
198.09299	1.1
200.06985	1.2
200.10716	7.6
202.12257	7.2
207.92616	0.8
213.10242	1.8
215.08173	1.0
216.10240	3.7
218.08217	1.9
218.11784	27.5
225.10248	1.0
228.10196	18.4
229.13429	1.2
234.11284	3.2
243.11386	1.7
244.09639	2.7
245.12909	1.6
246.11276	26.1
253.09569	0.8
254.08054	1.0
255.11328	2.7
256.09760	1.3
257.09290	1.5
260.05646	0.8
261.08768	0.9
261.12442	1.0
269.09195	0.9
271.10837	5.7
272.09180	4.5
273.12329	3.9
274.10721	2.9
287.10291	7.7
289.11853	11.5
290.10022	1.8
291.13528	1.2
299.10352	7.4
317.11337	31.0
318.09756	1.2
335.12378	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03830	0.5
55.01728	4.8
55.02029	4.3
55.05411	0.6
55.05622	0.5
56.96455	0.7
56.96692	0.7
57.03318	0.5
57.03575	0.6
59.05136	0.5
67.05356	0.7
69.03265	1.9
69.03660	1.1
69.06931	1.0
69.07282	1.1
69.51311	2.2
69.51726	1.0
70.06471	0.8
70.06792	0.5
71.04872	0.8
71.05222	0.7
72.69745	0.5
73.02798	0.9
73.03126	0.5
79.05353	1.1
79.05760	0.5
81.03289	0.9
81.03703	0.9
81.06907	1.2
83.04832	1.1
83.05295	0.6
83.08421	0.6
85.02725	3.3
87.04306	0.7
91.05292	4.1
93.06876	1.0
95.04832	0.9
95.08428	1.4
97.02701	1.5
97.06365	1.2
97.06902	0.5
98.05901	0.6
98.21492	0.9
98.97407	1.4
98.98004	0.7
99.04320	0.6
101.05863	0.9
105.03248	1.0
105.06857	1.3
107.04743	1.4
107.08459	0.9
109.02687	1.6
109.03356	0.7
109.06365	0.9
109.09950	1.4
109.10630	0.5
110.97414	0.5
116.98517	0.5
117.06843	0.8
119.08452	0.9
122.05836	1.4
124.07440	0.9
127.03702	3.2
128.06882	1.6
128.98387	0.6
131.08383	2.1
132.07915	0.9
135.07913	0.6
136.07457	0.8
136.78113	0.4
137.05849	0.8
137.09431	1.2
138.05365	0.7
139.03735	0.7
140.06906	0.9
144.07841	0.6
145.04851	0.5
145.09990	0.6
147.04279	0.7
149.09618	2.3
150.05278	1.4
151.03787	0.8
152.06891	0.5
155.10446	2.9
156.08014	0.8
158.09549	0.7
158.99507	0.7
162.08948	0.6
163.03731	0.6
164.06903	0.8
168.06439	1.1
170.09450	0.6
172.07498	0.8
173.11766	0.9
174.08971	1.2
176.06941	0.7
177.00421	0.6
177.05362	0.7
178.08473	2.1
184.07426	0.9
186.07704	0.7
186.09129	1.1
187.08542	0.9
188.06911	1.2
198.09050	1.8
199.08549	1.8
200.06915	1.6
200.10562	1.6
201.06471	1.2
201.10197	5.6
202.08539	1.3
210.06262	0.7
211.08765	0.6
212.07033	1.1
212.09100	0.5
213.10101	1.8
215.08012	2.1
215.11542	1.5
216.08784	1.9
217.09604	1.4
219.11171	0.5
225.10217	1.2
226.08823	2.6
227.08116	3.1
227.11469	0.6
228.10013	4.0
229.06137	0.5
229.09773	7.3
230.07999	0.9
230.10283	0.9
231.11127	0.8
237.02789	0.5
243.07678	1.1
243.11316	5.7
244.08128	1.4
245.09283	4.4
247.10587	1.3
253.09631	1.8
254.08002	1.9
255.11203	0.9
256.08505	0.8
257.09229	13.3
258.09845	2.0
261.12186	0.7
265.11804	1.4
271.08157	0.7
271.10815	11.4
272.09116	1.5
273.12466	0.7
275.10141	0.8
282.07449	0.6
284.07813	0.6
287.10342	5.3
289.03223	0.5
289.11890	7.1
299.10278	10.8
307.12888	3.0
317.11325	100.0
318.11856	1.1
335.04016	0.9
335.12372	29.4
335.15527	1.7
336.13150	1.0
358.08051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14112	0.5
55.01756	6.4
55.02058	3.1
55.05433	0.7
64.18587	0.6
67.05418	0.7
69.03338	1.3
69.06980	1.2
71.04886	1.4
71.54468	0.7
79.05399	0.8
81.03307	0.7
81.06946	1.5
85.02760	2.1
91.05346	2.7
93.06938	0.8
95.08492	1.5
95.09005	0.6
97.02802	0.7
97.06414	0.9
98.97459	1.3
101.05917	0.7
105.06907	1.0
107.04807	0.7
107.08495	0.6
108.04412	1.3
109.02782	1.1
109.10052	1.2
119.08492	0.7
120.27588	0.6
122.05933	1.4
123.04279	0.8
127.03748	2.6
131.08450	0.8
137.09528	1.2
144.07962	0.6
149.09506	0.8
150.05342	0.6
153.01627	0.6
155.10503	2.6
168.06409	2.2
172.07376	0.6
173.11667	0.8
178.08484	2.7
179.26149	0.7
184.07481	1.1
187.08508	1.1
188.06943	0.8
198.09123	1.4
199.08560	2.3
200.06990	1.3
200.10645	2.0
201.06467	0.9
201.10257	5.6
202.08507	0.8
203.11777	0.7
212.06953	1.2
213.10164	1.2
214.07190	0.7
215.07982	2.0
215.11667	1.2
216.08765	1.9
217.09576	2.0
219.11075	0.7
222.08208	0.7
225.10007	1.0
226.08528	2.6
227.08121	4.0
227.11487	0.7
228.06766	0.7
228.10329	3.4
229.09741	8.3
231.08656	0.7
231.11099	0.7
243.07588	1.5
243.11279	6.4
244.08469	1.3
245.09178	4.0
247.10686	1.8
253.09616	1.0
254.08057	1.3
255.11351	1.1
257.09222	13.7
258.09842	2.2
260.92853	0.7
265.11954	0.8
271.10745	9.7
272.09131	1.2
282.07755	0.9
287.10309	3.2
289.11838	5.8
299.10229	11.9
302.08926	0.9
307.12845	2.8
317.11325	100.0
318.11603	1.3
335.12381	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	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.5
55.05505	6.1
56.96548	4.5
57.03440	2.0
57.07072	4.9
65.03930	1.4
67.05505	22.9
69.03420	1.6
69.07065	9.2
69.27225	9.4
71.05000	1.7
71.08629	9.6
72.04517	64.9
79.05130	1.0
79.05500	11.7
81.07053	24.0
83.08611	1.8
85.06535	4.1
88.07617	2.0
91.05486	8.3
92.72090	0.9
93.07040	15.8
95.04968	14.0
95.08604	24.3
97.06541	6.1
98.14791	0.9
98.97561	1.7
98.98475	1.3
99.08092	4.9
100.07595	2.2
105.07034	9.2
105.97199	1.1
107.08594	15.5
109.06518	24.3
109.10158	11.2
111.08088	1.2
114.09168	18.5
116.06545	1.1
117.07006	2.9
119.08585	7.2
120.36942	1.2
121.06499	3.0
121.10174	6.7
123.08044	2.9
123.11675	2.9
128.10733	7.2
131.08543	5.4
133.10129	10.3
135.08029	3.5
135.11693	3.1
137.09573	1.9
139.04173	0.9
142.12273	5.2
142.39716	0.9
145.10136	4.1
147.11674	4.8
149.09653	2.1
149.13220	4.3
151.14777	1.4
153.14388	0.9
154.12254	2.2
156.13866	3.2
159.11636	2.6
163.11140	2.6
163.14876	2.4
165.12753	100.0
168.13863	1.1
173.13283	7.8
175.11191	5.6
175.14836	1.5
179.14355	1.6
180.13847	2.5
182.15401	14.6
184.13306	3.3
184.16966	2.1
187.14775	1.5
191.14348	8.3
192.55684	1.1
194.15436	2.2
198.13680	1.0
201.12738	4.4
212.16479	12.9
212.63390	1.1
220.16966	14.8
229.19514	4.0
236.20087	39.6
248.11684	1.3
261.21884	1.5
266.21216	1.2
267.09100	1.4
267.66373	1.0
271.20648	6.1
272.13635	1.5
281.14093	2.9
285.10086	3.2
289.13580	1.2
289.21695	8.8
291.23270	1.3
292.64868	2.6
311.16705	1.2
316.26328	9.8
334.27377	78.1
335.21854	9.2
335.25830	14.3
341.12576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
69.92207	9.6
82.40691	2.2
88.24987	2.1
98.21423	2.5
103.52959	2.1
105.38184	2.2
110.60683	2.3
116.98629	2.1
122.62448	2.4
165.35994	2.3
189.81505	1.9
335.07410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01856	1.7
55.05513	11.1
56.96554	5.3
57.03425	4.3
57.07060	2.0
60.04511	3.1
65.03930	2.7
67.05506	24.2
68.05021	1.9
69.07068	12.6
71.05001	1.9
71.56844	2.2
72.04527	11.4
79.05505	24.3
80.05015	2.0
81.03416	2.7
81.07065	23.3
82.06573	2.7
83.05000	2.1
83.08624	3.4
84.08109	1.8
88.07644	1.8
89.67979	1.8
91.05491	18.0
93.07054	19.9
94.06592	10.3
94.07100	1.8
95.04986	4.8
95.07331	1.6
95.08614	19.6
96.04500	1.9
97.06561	3.5
97.10216	3.2
98.98418	1.7
99.08108	2.8
105.07028	20.2
105.64864	1.9
107.08598	16.7
108.08138	7.3
109.06515	5.7
109.10180	9.6
110.06042	3.9
112.07607	1.9
112.57764	1.8
114.09175	3.0
117.07012	6.0
119.08595	16.7
120.08077	2.7
121.06532	1.7
121.10190	8.3
123.08124	1.7
124.11266	4.6
129.07027	2.9
131.08589	9.4
132.08072	2.0
133.10161	11.6
134.09622	2.8
136.11258	1.7
137.09613	1.8
145.10205	8.2
147.10605	1.7
147.11696	6.6
149.06970	1.8
149.09605	2.4
154.12267	2.7
157.10153	3.1
159.11700	5.5
161.13322	2.0
162.12819	7.3
163.11197	3.1
165.12743	15.0
173.13306	3.1
180.13840	3.7
182.15485	2.3
196.13342	2.3
197.13310	2.7
203.12733	3.0
208.13345	11.8
212.16431	3.5
220.16965	3.7
223.13333	2.0
226.14420	7.6
236.20122	8.6
257.19025	4.7
274.21710	6.4
275.20081	20.4
276.19736	1.8
288.23535	1.9
292.22742	17.0
293.10519	1.9
306.24359	4.2
316.19217	2.2
316.22733	6.7
316.26031	2.3
334.20245	5.0
334.23840	100.0
334.27435	12.3
335.25882	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81958	0.3
64.39221	0.3
69.77559	1.8
81.07059	0.5
98.21549	0.4
98.98485	0.5
112.89529	0.3
165.87457	0.3
193.04929	0.7
195.09959	1.1
201.09947	0.4
215.11378	0.5
253.12888	1.4
271.13919	0.7
272.14044	0.4
299.56339	0.3
333.20380	100.0
334.20728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
56.78995	0.7
56.96562	2.4
57.03423	1.1
61.02928	1.5
66.04749	0.7
67.24321	0.7
69.03423	4.7
70.39230	1.0
70.39562	1.8
71.04996	1.2
72.08132	1.4
79.05482	0.8
81.03424	2.4
81.07062	1.0
85.02906	11.1
86.09705	2.3
91.04001	0.9
91.05484	1.4
94.04225	1.2
95.04958	1.2
95.63048	0.7
97.02906	4.8
98.97596	5.9
98.98470	1.4
99.04463	1.6
105.03391	2.8
107.04955	1.5
109.02898	1.3
109.06516	2.6
110.06033	5.1
110.97587	0.9
111.04452	0.9
116.98640	2.1
121.02910	0.9
122.03638	5.5
123.04457	1.2
124.07613	8.3
127.03928	5.5
128.07066	0.9
128.98579	1.0
134.99667	0.7
136.07626	0.9
137.05983	100.0
138.06337	0.9
145.04961	2.2
146.99504	0.7
147.03209	0.7
154.08652	4.2
155.03407	1.6
155.07053	1.7
158.99675	1.6
167.07051	1.0
168.62224	0.9
172.09698	14.8
177.00749	1.6
187.14467	2.5
215.13983	0.8
219.01703	0.9
227.07164	0.8
237.02867	1.5
275.32211	0.8
302.85843	0.8
334.11877	28.2
334.15381	3.1
335.12607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01870	1.3
55.05510	5.4
56.05030	1.1
56.96566	1.6
57.03429	2.4
59.04992	1.1
61.02920	3.3
67.05498	1.0
69.03430	8.4
69.07059	1.0
69.77982	2.6
69.78403	1.3
70.06593	1.6
71.04999	3.3
72.08157	0.7
73.02910	1.7
79.05482	3.6
81.03419	4.7
81.07056	16.1
83.04966	1.4
83.08627	5.7
84.08146	1.0
84.60776	0.7
85.02906	20.8
85.06540	3.2
87.04511	1.2
91.03952	1.2
91.05467	2.5
91.20380	0.6
93.07040	1.8
95.04984	0.9
97.02892	7.5
98.06071	1.3
98.09692	2.3
98.97569	4.2
99.04436	1.3
99.08077	2.7
105.03390	2.0
107.04955	3.0
108.05267	2.7
108.08128	3.0
109.02898	1.5
109.06522	14.7
110.09637	0.9
110.97608	1.4
111.08117	1.2
116.98624	1.2
122.03648	1.6
122.78361	0.7
124.07539	0.9
125.05993	0.8
126.09156	46.8
127.03924	4.2
127.07551	15.9
136.07585	1.3
137.05981	32.5
145.04961	2.7
150.38524	0.7
153.05475	2.7
154.08633	58.4
155.07031	32.4
158.99655	1.2
168.05403	1.4
168.07384	0.7
172.09689	100.0
195.06516	2.3
248.03819	0.7
249.08150	0.9
293.09241	0.8
316.14053	1.2
334.08994	18.2
334.15005	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	333.1908
Annotation	Rosiridin
Peak:m/z	Relative Intensity
52.07957	2.8
53.03941	4.8
55.05500	6.3
57.03437	3.2
60.04534	3.5
67.05494	4.4
69.03441	6.3
69.07063	5.8
69.40417	23.6
71.04981	7.3
75.94551	2.7
79.05492	12.9
81.03410	4.5
81.07069	14.0
83.04990	5.1
85.02914	21.6
85.06544	4.4
91.05482	14.7
93.07042	69.1
95.04971	5.2
95.08596	23.3
97.02915	4.2
97.06532	5.0
98.98431	6.9
105.07030	8.7
107.08598	100.0
109.02885	3.3
109.10144	6.4
119.08580	5.0
127.03950	3.9
135.11711	67.7
153.12747	18.7
167.07027	5.0
169.12250	3.0
171.13870	4.0
252.09302	5.4
326.83643	3.0
333.10379	4.5
334.14908	3.3
354.79614	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	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.52654	1.1
53.03925	3.3
55.05501	4.0
57.03428	4.4
57.07072	2.1
61.02915	2.4
67.05498	3.8
69.03436	6.3
69.07080	6.5
69.58522	4.9
69.58934	2.6
71.04981	2.0
73.02914	2.3
79.05492	7.3
81.03413	5.7
81.07053	9.4
83.04977	1.8
85.02909	32.9
85.06548	1.4
91.05505	6.8
93.07047	51.6
95.04955	1.5
95.08060	2.1
95.08612	26.0
97.02880	4.8
97.06533	4.3
98.21526	1.4
98.97577	1.6
98.98452	4.9
99.04417	1.6
105.07011	4.1
107.04963	8.4
107.08600	95.2
109.02860	3.9
109.06503	1.6
109.10135	5.2
113.09626	2.2
119.08617	3.6
121.10098	1.9
122.03717	1.6
125.92347	1.1
127.03922	7.3
133.10129	2.1
135.11699	100.0
137.06009	8.3
139.03905	1.4
145.04977	3.9
145.10094	2.0
152.07048	1.4
153.12749	85.1
163.05957	2.0
165.12775	1.3
167.07068	10.2
171.12395	2.3
171.13809	31.9
175.62346	1.2
279.16171	1.5
288.09927	2.6
315.17902	1.4
333.05978	1.4
333.10364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03947	1.0
55.05496	2.6
59.04995	1.9
69.07053	2.5
69.72121	2.1
69.72535	2.0
71.04996	17.7
73.06566	3.7
79.05491	5.0
81.07063	21.1
83.08624	1.0
85.02908	3.3
91.05479	1.9
93.07047	13.6
93.70827	0.6
95.08603	2.9
97.02900	0.7
97.06523	1.9
98.98447	1.5
100.54417	0.6
105.07019	0.8
107.04953	1.0
107.08595	11.8
109.02884	1.1
109.10161	1.8
127.03918	1.2
135.11700	23.7
137.05969	2.6
153.12753	100.0
167.07060	2.5
178.54880	0.6
246.11247	0.7
267.85141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.96548	0.7
64.01762	0.3
67.05495	0.5
69.07054	1.3
71.56916	0.3
79.05495	0.4
81.07059	0.9
91.05490	0.7
95.08616	0.5
98.97598	0.7
98.98475	2.9
105.07027	0.8
107.08669	0.3
109.10174	0.4
114.49319	0.3
119.08604	0.6
121.10217	0.3
133.10143	0.3
145.10126	0.4
147.04420	0.5
159.11725	0.3
173.83020	0.3
187.74895	0.3
200.26396	0.3
201.09756	0.5
239.11316	1.4
248.29834	0.3
253.13048	0.7
257.12308	1.0
299.79147	0.3
315.19275	1.5
333.20380	100.0
334.20734	1.1
334.29385	0.5
351.20428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03950	3.3
55.05515	3.3
59.04992	3.6
65.03945	2.0
67.05491	6.2
69.03432	10.4
69.07052	8.7
69.57459	11.6
69.57855	3.0
71.05003	23.5
71.32050	2.0
73.06551	4.4
73.43521	2.3
79.05485	9.1
81.03404	7.1
81.07057	49.2
85.02435	3.7
85.02908	42.4
85.06509	2.1
91.05479	10.1
93.07049	59.7
95.04961	2.1
95.08611	10.2
96.30512	2.2
97.02869	7.7
97.06531	15.2
98.98479	6.5
105.07021	5.4
107.04945	7.9
107.08601	44.6
109.02876	6.1
109.10163	15.0
121.06511	2.1
127.03921	9.8
131.08548	2.2
135.11705	50.8
137.05984	14.8
145.04938	7.3
145.06448	2.6
145.10139	3.5
153.12753	100.0
154.13173	2.2
163.06125	4.1
167.07016	14.4
173.09624	4.0
189.45149	2.1
199.07671	2.2
219.75586	2.1
221.69283	2.0
237.12767	3.8
288.09763	3.0
333.19894	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	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03939	4.2
53.61564	2.1
55.01871	4.8
55.05524	4.1
55.43893	2.3
57.03436	10.2
57.07082	17.0
57.35337	2.1
57.85302	2.4
59.04995	11.2
61.02925	13.6
61.82706	2.4
67.05499	10.3
69.03428	28.9
69.07075	14.3
70.17705	2.2
70.98388	5.7
71.04990	5.8
71.06870	2.4
73.02919	6.8
79.05482	3.1
81.03407	15.3
81.07059	7.1
83.04992	3.8
83.08632	3.7
85.02906	94.1
85.06548	14.3
85.10166	3.0
87.04501	3.4
91.03950	5.8
91.05499	5.5
93.07043	6.0
95.05006	2.5
95.08611	62.7
95.09180	4.9
97.02913	27.2
97.06528	5.8
98.98486	8.8
99.04469	4.5
99.08085	18.4
107.05048	3.9
107.08626	13.9
109.02869	14.5
109.06517	9.5
109.10172	22.5
111.08094	7.5
111.11741	3.4
113.09647	93.3
118.98542	2.3
119.08582	4.2
127.03932	21.2
127.11217	49.4
135.11707	17.2
137.05995	3.5
137.13200	4.4
145.04980	25.3
151.07622	2.7
153.12752	100.0
155.14314	17.6
167.07028	6.5
171.13809	75.3
195.13687	2.5
207.61389	2.4
213.14871	5.7
333.14578	2.4
333.19147	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1159
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
53.03949	0.5
56.96558	1.2
61.02914	0.8
67.05499	0.4
69.03419	1.4
71.04991	0.6
71.05662	0.5
73.02905	0.3
81.03389	0.3
81.07064	0.4
85.02897	3.6
86.09724	0.5
87.04511	0.4
95.04946	0.4
97.02882	1.6
98.44447	0.4
98.97591	1.5
98.98476	3.5
100.98909	0.4
105.03384	0.5
106.03751	0.3
107.04951	1.1
108.08119	0.5
109.02858	0.7
111.04439	1.4
122.03625	0.4
123.05461	0.6
123.56403	0.4
127.03895	1.0
136.06305	0.8
137.05984	4.8
139.03905	4.4
143.00194	0.4
145.04929	0.4
153.07608	0.4
153.09047	0.4
158.99644	0.6
167.07018	0.4
171.06557	3.6
175.04413	0.4
176.98782	0.6
178.31126	0.4
184.04958	0.6
219.01657	0.7
228.68719	0.4
237.02759	1.0
244.25630	0.4
333.11560	100.0
333.14972	5.8
334.11920	0.9
338.71973	0.4
349.07977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1182
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
53.03945	3.1
55.01871	2.4
55.05513	1.6
56.96563	6.6
57.03432	3.4
61.02911	6.9
63.91706	1.3
65.03951	8.4
65.29031	1.6
67.05492	2.0
68.99789	3.0
69.03437	18.9
69.07085	1.5
71.04989	2.8
71.53506	2.7
73.02921	3.1
79.05480	1.8
81.03423	9.4
81.07047	2.0
82.06598	1.8
82.58351	1.6
83.04978	4.9
85.02910	50.0
86.03239	2.5
86.09701	3.5
87.04485	2.8
90.81107	1.3
91.03959	1.7
91.05479	1.5
93.03387	5.0
93.07043	2.5
95.04976	3.3
95.08619	1.6
97.02888	20.6
97.06530	1.5
98.97605	11.7
98.98478	24.6
99.04455	4.1
100.60845	1.4
103.04005	1.5
105.03389	2.7
105.07063	2.9
106.03693	1.8
107.04956	8.3
107.08599	2.0
108.08087	1.5
109.02863	6.0
109.10139	1.6
110.97581	2.6
111.04446	41.7
112.99108	1.5
113.05969	1.9
116.98645	3.7
121.03970	3.9
121.06461	1.5
123.04546	2.7
123.05540	6.0
123.08105	1.5
127.03933	8.1
135.11653	1.9
136.06168	4.4
137.05994	3.0
139.03911	100.0
140.04321	1.4
141.05420	2.5
143.00169	2.5
145.04979	7.5
147.03278	2.2
152.07039	2.7
153.05502	2.2
153.06548	2.9
153.09152	2.1
153.12730	1.8
156.04222	3.9
158.99626	3.3
159.03273	1.6
163.03888	2.6
167.07025	4.9
169.04974	2.0
170.08134	2.9
171.02879	2.5
171.06538	98.5
176.98950	3.3
189.04346	2.1
195.06525	1.5
201.00545	1.7
203.02188	1.6
205.03761	3.1
207.06546	2.3
218.98296	1.5
219.01752	6.4
223.04892	2.3
237.02866	4.0
237.07661	2.4
247.56670	1.9
251.06764	2.5
251.56966	6.4
273.02679	1.6
275.92245	1.5
291.03876	1.5
310.03210	1.4
333.07910	7.2
333.11523	15.3
333.15042	20.4
349.07898	3.7
350.08398	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76120	0.3
70.81435	0.6
73.10387	0.3
100.01107	0.3
135.04362	0.4
136.21762	0.3
137.55302	0.3
139.30206	0.3
158.20062	0.3
171.09879	2.5
177.95534	0.3
333.15201	100.0
334.15405	1.0
349.81158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32509	0.4
53.78582	0.4
56.96507	26.9
63.92447	0.4
67.05417	0.4
69.18262	1.9
69.18691	2.0
71.95203	5.6
72.95971	1.4
74.97571	1.0
84.96043	2.5
86.97571	0.4
93.06999	0.5
95.03967	0.5
97.96805	3.8
98.97594	2.0
98.98398	1.3
99.98299	0.5
102.36861	0.4
105.00160	2.2
105.06952	0.5
110.97578	20.0
112.99100	1.0
115.00636	0.5
115.97761	1.5
116.98564	0.7
119.01665	1.3
120.61502	0.5
121.10088	0.4
123.01205	0.9
124.99043	1.4
127.00665	0.5
128.98616	16.1
131.00101	0.8
132.99568	0.4
137.02699	1.1
143.00150	3.1
146.99675	5.9
151.00623	1.2
151.04269	0.4
152.00127	1.4
153.02066	0.6
155.03737	0.6
157.01668	0.9
161.01248	2.4
161.04735	0.5
167.00072	0.4
167.03728	0.6
169.01726	0.8
170.01143	0.7
171.03317	2.6
175.02724	1.2
179.02191	0.4
181.05238	0.8
183.03275	0.5
185.04880	2.0
189.04272	1.4
190.05074	0.6
195.06914	0.5
199.06448	0.5
203.05864	1.6
208.06303	0.6
213.08011	0.5
217.07385	0.6
220.04161	0.5
221.08453	0.6
225.07945	1.2
226.08607	0.9
227.09489	1.5
235.06277	0.5
241.11066	1.6
245.08437	1.4
245.10669	1.0
249.07956	0.6
252.10423	0.6
255.12822	0.5
259.12177	0.8
263.09589	5.1
264.10370	0.9
265.11093	1.3
270.11429	0.6
277.11081	1.3
278.23099	0.4
281.10706	1.1
285.11450	0.8
286.11053	0.5
289.11273	0.8
303.12726	2.8
313.14655	1.3
315.16321	71.9
316.16519	0.9
317.14307	0.7
331.15817	3.1
332.65662	2.0
333.17380	100.0
334.17816	1.2
349.16766	0.5
351.18469	15.8
356.19003	16.9
357.19434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
53.61373	0.7
55.01857	1.2
55.05506	1.9
56.96568	1.0
57.03429	1.9
57.07060	1.1
59.04989	3.2
61.02916	3.0
67.05502	3.0
69.03432	5.2
69.07053	1.6
70.06589	1.3
71.04995	1.4
71.53913	0.9
71.54326	0.9
73.02905	2.6
79.05486	4.9
79.42247	0.7
81.03422	3.0
81.07060	100.0
82.07398	0.8
82.25470	0.7
85.02910	32.0
87.04470	1.4
91.03954	2.4
91.05476	3.8
93.07049	14.9
95.08620	7.8
97.02892	7.0
98.97585	1.2
98.97900	0.7
98.98463	7.1
99.04422	2.2
101.02443	0.8
103.05453	1.7
105.07024	1.5
107.08602	8.3
109.02905	4.0
109.10119	1.2
116.07079	1.1
119.08566	2.1
120.08121	4.4
121.25541	0.8
124.07531	0.9
124.12004	0.9
127.03918	7.0
133.04932	1.0
135.11699	34.9
137.13260	43.4
144.08099	2.4
145.04967	15.7
152.11520	1.0
163.06087	4.5
163.07277	0.7
179.05487	1.0
185.09303	1.1
189.10310	1.9
197.85262	0.9
221.09962	0.8
231.06541	0.8
261.14920	0.8
287.14243	1.0
302.63150	0.8
332.08463	1.1
342.88943	1.0
348.99045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.03925	1.1
53.64170	1.1
55.05301	1.1
55.05515	12.4
57.03437	7.5
57.07077	100.0
61.46244	1.4
67.05510	25.2
69.06734	1.8
69.07072	19.1
69.83558	5.0
69.83981	2.8
71.04980	1.6
71.08633	64.0
75.04489	3.0
75.29432	1.3
79.05510	2.4
79.35095	1.4
81.07056	34.6
82.17252	1.4
83.04986	1.6
83.08619	28.4
85.06557	2.2
85.10184	39.8
93.07049	2.6
95.04945	1.5
95.08612	50.6
97.10181	14.9
98.98470	55.9
99.11735	1.8
103.07586	2.5
104.77448	1.2
109.10163	29.1
111.04436	2.9
111.11707	4.3
123.11738	11.4
125.13273	3.3
136.22328	1.2
137.13246	6.0
145.22816	1.3
148.39905	1.2
151.14816	1.9
165.16403	2.1
174.99159	2.7
176.98936	4.9
178.19655	1.3
221.22685	3.2
235.60509	1.3
239.23708	25.9
257.24814	7.3
298.27411	1.4
304.18918	1.4
313.27374	72.2
331.07962	2.8
331.26453	1.8
331.34015	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.40041	0.7
56.96564	0.6
57.03432	2.1
61.02918	2.5
65.03950	1.2
67.05517	2.0
69.03428	6.9
69.97583	1.2
69.97990	1.8
71.04987	0.6
73.02925	2.2
79.05489	1.7
81.03416	1.5
81.07049	1.0
85.02914	8.7
87.04474	2.0
91.03992	0.9
96.08128	1.1
97.02894	3.6
98.97581	1.5
99.04449	1.2
104.10762	0.7
106.06562	3.9
106.78413	0.6
108.08121	100.0
109.02902	1.1
109.08463	0.7
123.06793	4.3
124.07599	14.5
127.03941	2.0
134.06018	12.8
136.07585	15.7
137.08362	0.9
145.04927	1.1
152.07072	75.1
153.07458	0.7
154.08646	1.8
154.99483	0.7
161.05640	1.1
170.05162	1.8
170.08131	13.4
213.05231	0.7
242.07306	1.9
251.07950	1.4
306.04803	0.6
314.12341	38.0
332.13412	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	331.2844
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05511	12.9
57.03448	7.9
57.07080	100.0
58.60387	1.2
67.05509	28.1
69.07076	18.7
71.08636	74.8
72.12850	1.2
75.04485	2.5
79.05473	1.3
79.55287	1.1
81.07064	38.0
83.08624	28.3
83.10107	1.2
85.06558	1.3
85.10187	43.3
88.07575	1.6
89.06049	2.2
95.08615	61.0
97.10176	16.5
98.21545	1.7
98.98474	26.3
99.08114	1.3
99.11730	3.2
109.10159	27.2
111.11714	3.4
113.13324	1.8
117.09057	1.0
122.32327	1.0
123.11707	13.5
125.13274	3.2
137.13255	6.5
139.14853	1.1
151.14819	2.3
165.16380	2.8
174.99208	1.9
176.98936	3.3
221.22618	3.3
224.82071	1.0
229.03036	1.1
239.23715	30.9
257.24789	7.8
298.27353	1.1
313.27386	84.7
331.18878	1.3
331.22372	2.2
331.34033	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	331.2243
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
57.07071	0.7
66.06828	0.6
67.05495	0.6
69.03450	0.6
70.81042	1.5
87.85240	0.6
93.07043	0.7
95.08620	1.5
98.98470	38.9
100.98868	1.1
127.03912	1.4
174.99234	2.2
176.98920	4.7
178.08742	0.8
187.07777	0.5
198.79459	0.6
222.64987	0.6
227.39288	0.7
252.99738	1.0
316.05688	1.1
331.08173	2.2
331.22452	100.0
332.22815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.4
57.03443	7.0
57.07081	100.0
67.05512	23.4
69.06781	1.5
69.07076	16.1
69.33894	12.0
70.06572	2.4
71.08638	69.6
75.04470	4.6
79.05459	4.2
81.07062	33.1
83.08630	28.3
85.10189	40.0
85.21861	1.5
88.07618	3.5
88.23486	1.2
89.06052	1.5
89.49593	1.5
93.07036	1.6
95.08617	52.5
97.10175	13.5
98.98478	43.5
99.11732	2.6
106.08676	1.6
109.10168	28.1
111.11718	3.7
111.30824	1.3
123.11713	15.6
125.13300	3.5
137.13255	7.1
151.14824	2.3
176.15033	1.7
176.98918	4.1
221.22720	2.6
239.23720	25.1
257.24719	6.5
289.27615	1.5
313.27377	73.6
331.34009	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	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.7
57.07074	1.5
66.07172	0.8
67.05500	1.6
69.07073	0.9
69.80786	4.3
77.11366	0.8
81.03400	1.0
81.07105	1.6
83.05005	0.9
91.05479	1.5
91.68404	0.8
95.08607	1.4
98.98470	100.0
100.00340	0.7
100.98888	2.0
105.03437	0.8
105.06982	0.9
109.10159	1.4
116.99512	2.1
121.10181	1.1
127.03910	2.8
131.08626	1.1
134.26361	0.7
140.01093	1.5
144.03067	0.7
145.10149	0.9
149.06113	0.7
157.60187	0.7
159.11719	0.8
174.99237	6.2
176.98938	10.7
224.12152	0.8
252.99777	2.6
254.99446	1.4
316.05621	1.8
331.08194	3.6
331.18826	81.2
349.17157	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	331.1751
Annotation	Epijasminoside A
Peak:m/z	Relative Intensity
50.93777	1.8
51.02380	1.9
53.35392	1.6
55.01867	5.0
55.05513	6.0
55.90283	1.6
57.03432	9.4
57.07072	2.7
59.04995	3.8
61.02927	2.7
63.33603	1.8
67.05509	7.9
69.03436	8.7
69.07066	4.9
70.06596	9.2
71.01365	2.6
71.04985	3.9
71.18510	1.7
71.54373	2.4
73.02930	8.9
79.05490	6.1
81.03409	3.4
81.07063	12.8
83.04963	2.9
85.02898	15.0
85.61818	1.6
86.09697	9.1
91.05489	16.6
93.07045	100.0
95.04962	5.4
95.08617	18.9
97.02898	7.9
97.06544	5.1
97.99141	1.6
98.98467	97.5
100.98900	2.1
105.07021	7.3
107.04960	4.3
107.08600	38.2
109.02877	6.5
109.06519	14.5
109.10168	27.2
111.08123	2.8
115.03938	6.5
116.07086	1.8
119.08585	3.9
123.08073	2.5
123.11729	11.2
127.03912	3.8
131.08534	3.6
133.05000	13.8
133.10153	5.6
135.11693	93.3
137.05980	2.2
138.05525	1.8
151.07590	2.5
151.11185	20.1
153.12744	63.8
162.05502	2.1
169.08556	3.2
169.12282	6.2
174.99216	4.1
176.98976	10.1
177.00517	1.6
179.05548	2.8
181.05016	3.9
223.07536	4.9
252.99820	2.0
292.44812	1.8
310.07343	1.7
311.09790	3.6
313.11469	1.7
331.08463	3.0
331.12698	5.7
331.17099	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1751
Annotation	Epijasminoside A
Peak:m/z	Relative Intensity
53.03950	2.6
55.05537	1.9
57.03434	2.1
57.07082	3.4
67.05503	21.6
68.98232	2.1
69.03425	7.5
69.07056	3.5
69.45053	15.8
71.04984	4.4
79.05488	5.5
81.03413	4.3
81.07056	18.6
85.02910	17.3
85.06538	6.1
91.05493	5.7
93.07036	7.0
95.04973	21.7
95.08606	7.8
96.99442	2.5
97.02888	7.8
98.21521	2.3
98.98466	100.0
99.04491	2.5
105.07025	6.9
107.04968	6.9
107.08602	21.1
109.02886	3.7
109.06512	32.6
109.10159	77.5
111.08110	2.1
112.34615	1.9
119.08647	1.9
121.10178	2.2
123.08081	7.1
123.11728	19.3
127.03923	6.0
133.10100	13.7
137.05998	3.2
145.04977	3.3
150.09129	2.0
151.11192	85.0
167.03523	2.1
169.12236	24.7
170.52875	1.9
174.99236	6.2
176.98988	8.2
331.13681	56.4
331.17160	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
53.03948	4.5
55.01870	3.8
55.05506	5.7
57.03426	7.3
57.07076	5.8
59.05005	3.7
61.02911	9.7
65.86447	2.2
67.05495	9.9
69.03437	23.5
69.07067	12.6
70.55272	2.4
71.04987	20.5
71.07594	5.2
73.02905	9.0
73.06552	4.8
79.05482	10.9
81.03408	8.2
81.07065	40.0
83.04968	3.1
85.02432	4.3
85.02908	53.2
85.06538	5.3
87.04469	2.8
91.03957	2.6
91.05479	10.3
93.06484	3.5
93.07052	57.7
95.04964	13.3
95.08609	9.3
97.02894	18.4
97.06546	20.7
98.98478	63.4
99.04469	5.4
105.07037	7.3
107.07902	3.1
107.08606	38.6
109.02876	7.1
109.06519	25.7
109.10165	22.5
111.08098	3.2
115.03899	2.9
121.10190	4.0
123.04409	4.3
123.11725	46.9
127.03891	13.2
133.04955	7.5
133.10139	11.8
135.11707	27.4
136.79787	2.3
137.05966	6.6
145.04950	10.0
149.06007	3.8
151.11189	85.9
153.12762	31.7
155.87033	2.6
165.28575	2.7
169.12248	100.0
174.99263	3.2
176.98935	5.3
239.11815	3.2
267.11255	9.8
274.54077	2.4
295.10815	5.8
307.47885	2.4
313.11758	6.3
331.09329	2.5
331.12857	20.1
331.17120	8.3
336.35162	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	331.1752
Annotation	Boschniaside
Peak:m/z	Relative Intensity
52.49839	1.0
53.03946	1.2
55.01873	2.6
55.05503	4.1
57.03436	2.4
57.07071	1.4
59.04989	2.5
60.99166	1.7
61.02914	4.9
67.05238	1.3
67.05512	15.0
69.03429	9.4
69.07056	3.5
69.81601	4.8
69.82005	2.2
71.05004	6.6
73.02931	1.2
73.06553	1.8
79.05495	7.5
81.03416	4.4
81.06590	2.1
81.07062	32.2
81.48466	1.1
83.04959	2.5
83.08625	1.3
85.02431	2.2
85.02910	29.1
85.06534	3.4
88.28335	1.2
88.98627	2.0
89.19163	1.2
91.03952	1.2
91.05489	9.1
93.07050	7.8
95.04966	3.7
95.08603	6.4
97.02893	7.3
97.06556	1.4
98.98473	52.1
99.04490	2.0
101.06033	3.0
105.00129	1.4
105.03403	1.7
105.07029	6.0
106.99687	2.6
107.04956	1.6
107.08606	26.6
109.02893	3.2
109.06490	1.6
109.10156	7.6
113.05981	2.3
117.82354	1.3
121.10166	3.1
123.08105	1.4
123.11714	32.4
125.09644	5.1
127.03926	6.6
133.10147	9.2
135.08107	2.0
135.11725	1.5
137.05943	1.3
139.11176	1.2
145.04977	5.3
151.11192	15.8
153.01787	1.7
162.05507	1.6
169.12253	100.0
174.99153	1.7
176.98920	4.9
189.06599	2.0
201.10251	2.4
203.08098	1.6
215.08212	2.4
229.09689	3.1
239.08002	1.6
257.09125	3.9
266.11456	1.3
267.11456	1.7
271.10690	1.6
285.08661	2.3
285.12137	2.0
287.97708	1.4
313.08121	3.6
313.11841	4.6
331.04471	2.7
331.08734	3.6
331.12894	29.0
331.96317	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
56.96558	1.4
57.03418	0.8
57.07053	1.2
60.38101	0.4
61.02904	0.4
63.67847	0.4
64.01180	0.4
69.03429	1.0
69.07051	0.6
69.86125	0.6
69.86460	1.9
70.06588	0.4
71.04974	0.5
71.08652	0.7
72.08170	0.5
79.05507	0.8
81.03435	0.5
81.07041	0.4
82.01797	0.4
84.04485	0.8
84.95943	0.4
85.02901	2.5
86.09688	1.4
95.04975	0.7
95.08564	0.7
97.02888	1.4
98.21428	0.6
98.97600	2.4
98.98472	39.6
99.04420	0.5
100.98862	0.7
105.03390	1.5
107.04966	12.1
108.08145	0.9
110.97562	0.7
116.98606	1.3
116.99381	0.4
123.04411	0.6
127.03908	0.9
128.98596	0.6
131.67151	0.4
136.07637	0.4
140.07048	0.4
151.03908	0.9
151.08649	0.4
152.07104	0.8
158.99710	0.7
163.03966	0.5
167.07068	0.5
169.04935	1.3
169.08453	0.5
169.09792	0.7
174.99245	1.9
176.98944	3.7
177.00325	0.6
179.00006	0.5
187.02774	0.8
196.14452	0.4
219.01770	1.1
237.02843	0.8
247.05952	0.4
252.99641	0.6
254.99248	0.4
273.09460	32.3
313.27448	0.7
314.12228	0.7
331.07837	3.6
331.13635	100.0
332.13770	1.3
349.08063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01860	2.7
55.05499	0.9
56.96564	2.3
57.03433	2.2
57.07066	2.2
59.04995	4.2
61.02916	1.5
67.01884	0.6
68.99793	1.0
69.03424	3.6
69.07066	0.7
70.06583	1.1
71.01350	0.7
71.05001	1.1
71.08631	1.5
71.53815	0.8
72.08180	0.8
73.02924	1.8
73.51093	0.7
77.80912	0.6
79.05489	3.6
81.03418	4.1
81.07043	3.4
82.03709	0.8
83.04984	1.1
84.08125	0.8
85.02909	13.9
85.10182	0.8
86.03230	0.6
86.09708	1.3
87.04460	1.1
91.05498	3.5
93.06548	1.0
93.07050	8.8
95.04964	3.4
95.08614	2.9
97.02905	3.3
98.97597	3.6
98.98470	100.0
99.04467	1.7
100.98895	2.3
103.03960	2.5
105.03394	3.1
105.07002	3.6
106.02926	5.0
107.03268	2.7
107.04959	26.0
107.08592	1.8
109.02890	5.1
109.06507	0.9
109.10177	1.1
111.04488	0.7
115.05479	1.0
116.98660	1.6
116.99525	2.7
117.07055	1.2
119.04943	2.2
121.02903	1.7
121.06505	1.1
123.04429	6.2
123.11726	1.1
124.03972	6.1
125.04301	4.2
125.05979	1.1
125.65348	0.6
127.03926	3.9
128.04315	1.0
129.06963	0.6
133.06512	1.1
133.10139	3.2
137.05994	1.8
139.03902	2.3
145.04932	0.9
145.06512	1.1
147.04445	6.0
150.09125	0.8
151.03905	10.7
151.07584	1.2
151.08522	1.0
151.09528	1.5
151.11198	2.7
158.99770	1.1
159.04408	0.8
161.05992	2.5
162.05492	0.7
163.03934	6.6
165.05484	6.3
168.10242	2.2
169.04984	10.1
169.08585	4.4
169.10640	2.1
169.12286	3.3
173.05977	0.9
174.99272	6.3
175.03857	3.0
176.98898	9.8
177.05560	0.7
179.07117	1.2
181.04955	19.0
187.03958	2.5
187.06271	0.7
189.05481	2.4
193.04974	27.8
205.04987	4.5
207.02998	0.7
207.06575	9.3
211.06009	21.7
217.05023	1.5
219.01834	0.9
219.06549	1.3
229.05026	5.2
229.07199	1.0
231.06482	1.9
233.04469	0.8
235.06027	23.6
235.08411	1.4
237.02806	1.6
241.05020	2.4
247.06024	23.6
251.07494	3.6
252.99789	2.2
259.06036	9.5
265.07053	3.6
267.00293	0.8
269.08524	2.6
277.04391	1.1
277.07111	7.7
295.08115	4.8
313.09143	1.8
313.27414	1.0
316.05872	1.0
331.04800	1.1
331.13687	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1026
Annotation	32142-31-7
Peak:m/z	Relative Intensity
53.03929	0.3
55.01870	0.7
55.05503	0.3
57.03445	0.3
57.07056	0.4
65.03961	0.2
67.01882	0.5
67.05508	1.1
68.56099	0.2
68.62840	0.2
68.99800	0.4
69.03422	0.7
69.07088	0.3
69.73764	0.5
69.74153	0.6
70.06587	0.8
71.01383	0.4
71.04983	0.8
71.23766	0.2
73.02919	0.3
79.05492	0.7
81.03414	0.4
81.07065	1.4
83.05021	0.2
85.02911	2.3
85.06538	0.3
86.09692	0.7
87.04473	0.4
91.05499	1.3
93.07052	4.6
95.04976	1.1
95.08616	0.5
97.02888	0.7
98.21433	0.3
98.98474	10.6
99.04436	0.3
100.98906	0.3
103.03999	0.2
105.07030	0.7
107.08616	2.1
109.02882	0.3
109.10180	0.4
114.05521	0.7
119.08585	0.3
122.02730	0.4
123.04438	6.7
123.08033	0.3
123.11678	0.5
127.03935	3.9
131.04979	0.3
133.04961	0.9
133.10121	0.5
135.11691	2.7
137.05998	0.9
145.05013	0.4
149.05978	0.4
151.03914	14.1
151.07538	0.9
151.11174	0.6
153.12727	1.3
162.05467	0.4
165.05476	0.3
165.07018	0.3
168.47852	0.2
169.04971	100.0
170.05319	0.6
170.70662	0.3
174.99281	0.6
176.98938	1.1
183.18401	0.2
189.09042	0.2
241.08284	0.2
252.99788	0.3
271.09537	0.3
287.12790	0.4
305.74438	0.2
331.07938	0.3
331.13239	0.9
331.17239	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.129
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
53.03928	0.4
55.01881	2.4
63.94745	0.4
67.05499	1.5
68.57817	0.4
69.03410	0.5
69.97076	0.7
69.97481	1.6
71.04988	0.8
73.33528	0.3
78.98788	0.4
79.05504	0.7
81.07049	1.5
81.40868	0.3
82.06538	0.5
83.04966	0.7
85.02930	0.4
91.05479	0.8
93.07045	1.0
94.06593	2.0
95.08594	0.4
98.98472	11.7
98.99121	0.6
105.07042	0.6
106.06528	2.3
108.04483	3.7
108.08138	0.6
110.06056	0.9
122.06046	2.6
129.06984	0.4
134.06009	1.7
135.06815	0.4
136.03964	2.0
136.07594	0.9
140.07089	0.6
144.08015	0.5
146.05945	0.4
147.01991	0.4
148.04001	0.5
148.07559	1.0
150.05469	1.1
152.07155	0.5
158.09726	0.7
159.09154	0.5
160.07564	0.8
161.07129	1.6
162.05525	6.1
163.06340	0.7
164.07063	2.2
168.06610	1.2
168.08017	0.5
169.07527	0.5
169.12291	0.6
170.08311	0.9
170.09665	1.1
172.11235	0.8
173.10794	1.6
174.09186	0.8
174.99220	0.4
176.07039	2.0
176.98878	0.8
182.08284	0.5
183.09213	1.2
184.07588	1.0
184.11189	0.9
185.07059	0.4
186.07874	1.5
187.08702	2.6
187.12358	1.3
189.06609	7.0
194.08076	0.8
195.06825	0.4
197.10806	0.9
198.09157	1.6
199.08704	1.2
200.09462	1.2
200.10982	0.6
201.10228	5.5
203.08176	2.7
211.08617	1.1
211.12360	0.6
212.07111	1.0
212.10751	1.3
213.10249	2.3
214.07367	1.4
214.10713	0.9
215.08174	11.5
215.11684	3.7
225.10242	1.6
226.08693	0.8
226.10887	0.6
227.08139	1.4
228.08952	1.6
229.06210	0.8
229.09726	9.9
229.13231	2.1
231.11287	1.0
239.08163	1.0
239.11852	2.4
240.10228	1.2
241.09712	1.9
241.13350	0.5
242.10577	1.5
243.07700	2.8
243.11340	5.8
247.14465	0.8
252.08992	0.9
253.09711	1.5
255.11337	1.3
256.12039	0.7
257.09213	7.7
257.12875	7.1
259.10718	0.8
261.12375	0.5
267.11328	3.7
268.09720	0.8
270.05331	0.7
271.10794	6.0
275.14032	3.5
285.09216	0.5
285.12338	10.3
295.10815	3.4
303.13416	4.0
313.11853	15.4
315.05042	1.6
331.08643	4.5
331.12888	100.0
332.13135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
53.08368	1.0
55.01864	5.9
55.05505	1.5
56.96557	2.8
57.03428	3.0
57.07065	1.6
57.07552	1.2
61.02925	2.7
67.01846	2.3
67.05498	2.7
68.99799	2.3
69.03430	4.6
69.07074	2.3
70.02528	3.8
71.04988	2.3
71.08665	1.1
79.05494	2.3
81.03415	2.3
81.07068	2.7
83.04980	2.0
85.02902	18.7
86.09689	2.5
89.03908	1.4
91.05489	4.6
93.07041	4.6
95.04968	3.5
95.08582	1.9
97.02901	4.0
97.06506	1.5
98.97613	4.9
98.98465	100.0
99.04425	1.2
100.98886	2.6
103.03952	4.3
105.03388	3.4
105.07020	2.5
107.04945	7.2
107.08604	2.8
109.02879	6.8
109.06545	1.3
109.10155	2.5
110.97618	1.4
111.04416	1.5
116.98604	2.0
117.06986	1.2
119.04945	3.4
121.02864	3.7
121.06495	1.0
123.04417	9.5
123.08083	1.1
123.11651	1.3
125.05991	5.0
127.03885	5.2
133.02847	1.0
133.06442	1.5
133.10129	1.4
135.04410	3.4
137.06021	3.2
139.03888	4.2
143.00146	1.8
145.02797	1.3
145.06496	2.1
147.04413	10.3
149.05920	1.1
151.03886	19.2
151.07504	3.2
151.11154	4.9
153.01813	1.7
158.99651	1.3
161.06006	3.7
163.03896	24.6
165.05472	12.8
169.04974	17.5
169.08595	14.2
169.09875	1.9
169.12280	2.6
173.05948	1.1
174.99246	4.7
175.03928	6.2
176.98958	8.1
177.05438	2.1
179.07011	3.8
181.04950	43.9
181.06540	2.5
185.06134	1.0
186.77315	1.0
187.03903	5.7
189.02051	1.3
189.05487	6.9
189.73547	1.0
191.03331	1.2
193.04962	60.9
201.05447	1.9
203.07242	1.1
205.05003	9.5
207.02951	1.9
207.06555	20.0
210.63304	1.0
211.06000	54.2
213.05560	3.0
217.04987	2.9
219.06479	2.3
229.04987	11.5
231.06522	3.1
233.04469	2.1
235.06000	56.1
237.02780	1.2
239.02420	1.2
241.04906	5.8
247.06024	57.4
249.02998	1.0
249.07700	1.3
252.99605	1.4
259.06006	24.0
265.07092	7.0
277.07062	15.9
295.08060	11.5
313.09195	3.1
324.69556	1.1
331.07864	1.5
331.13785	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61612	0.1
51.02388	0.2
51.50014	0.2
53.03947	1.5
55.01881	0.4
55.05503	0.2
56.96564	0.5
57.03430	0.5
57.07065	0.3
59.05009	0.2
61.02927	0.3
67.05512	0.5
69.03438	0.8
69.07063	0.2
69.62719	0.2
69.75417	0.4
69.75811	0.4
70.06601	0.2
71.05006	0.3
72.08170	0.4
73.02914	0.2
77.03954	0.6
79.05497	7.2
81.03431	0.9
81.07050	1.2
82.03759	0.2
83.04993	0.3
85.02905	1.8
87.04463	0.2
91.05504	0.5
93.07064	0.9
95.04971	1.9
95.08617	0.6
97.02905	0.8
97.99911	0.2
98.20807	0.2
98.97581	1.0
98.98470	22.1
99.04458	0.4
100.98894	0.7
105.03422	0.3
105.04490	0.8
105.07055	0.5
106.02898	0.8
107.04958	100.0
107.08617	1.0
108.05308	0.5
109.02869	0.3
109.06523	0.2
109.10166	0.4
116.98619	0.4
116.99417	0.3
121.02930	0.3
123.04432	0.4
123.08080	0.3
123.11729	0.6
124.03948	1.1
125.04308	0.6
127.03930	0.5
133.10146	0.5
137.06006	0.3
139.03906	0.3
145.04971	0.3
147.04404	0.4
151.03937	0.3
151.11183	0.8
158.99702	0.3
161.06001	0.3
163.03914	0.3
168.05458	0.2
169.04889	0.5
169.08534	0.2
169.12250	0.6
174.99207	1.3
176.98958	2.4
181.04980	0.6
192.32455	0.2
193.04932	0.9
207.06573	0.2
211.06010	0.6
215.05995	0.3
235.06052	0.6
237.02821	0.4
247.03012	0.1
247.06026	0.7
250.07697	0.5
251.07494	0.5
252.99825	0.5
254.99637	0.2
259.06033	0.3
269.08453	0.6
277.07031	0.2
284.48303	0.2
313.27304	0.3
331.04297	0.2
331.13684	2.3
335.10199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0815
Annotation	Malvidin
Peak:m/z	Relative Intensity
50.56688	0.2
55.05474	0.5
56.96526	0.4
57.07035	0.3
59.78738	0.2
60.57502	0.2
61.21024	0.2
64.91870	0.2
65.66103	0.2
67.05446	0.7
69.03395	0.5
69.07012	0.8
69.35432	1.4
69.35850	0.6
74.59774	0.2
76.67871	0.2
79.05466	0.5
81.03382	0.5
81.07050	1.2
85.02872	0.5
91.05432	0.8
93.07039	0.3
94.20923	0.2
95.08533	0.9
97.06484	0.4
98.21500	0.6
98.97594	0.6
98.98469	19.1
100.98827	0.4
105.06986	0.3
106.27520	0.2
107.04910	0.2
107.08574	0.5
109.02817	0.6
109.10126	0.4
116.98628	0.3
116.99432	0.5
119.04888	0.4
123.04360	0.2
123.11621	0.6
127.03881	0.4
137.05945	0.5
147.04352	0.9
151.03917	0.2
153.01746	1.0
154.02579	0.4
174.99153	0.8
176.98956	1.8
178.02559	0.7
187.11302	0.3
195.02852	0.5
213.05550	0.3
214.06296	0.2
233.40286	0.2
241.04871	0.8
242.03430	0.3
242.05734	3.9
252.99644	0.3
253.04784	0.5
254.99190	0.3
255.03151	0.3
257.04257	0.3
258.05298	4.1
269.04459	0.4
270.05240	11.5
273.03986	2.1
285.04025	0.6
286.04718	1.7
287.05508	5.7
298.04810	0.4
299.05466	0.9
301.03452	3.3
302.04221	3.5
306.65994	0.3
307.17001	0.4
313.03439	2.4
313.17355	0.3
315.04984	53.2
316.05737	5.8
316.08899	0.3
316.17535	0.3
330.67151	0.4
331.08121	100.0
332.08591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02821	2.1
55.01860	5.1
55.05308	1.9
55.05517	20.2
57.03437	11.8
57.07076	4.0
59.04979	2.6
67.05510	66.2
69.07068	15.4
69.39087	16.3
71.05002	5.3
71.08620	2.7
77.81314	2.1
79.05490	19.8
81.03425	6.2
81.07056	41.9
83.04972	6.8
83.08631	12.6
85.06528	2.9
87.04483	7.1
88.07643	2.7
91.05477	14.7
93.07051	23.7
95.04976	6.5
95.08607	19.8
97.06551	2.3
97.10154	3.3
98.98473	100.0
105.07040	8.5
107.08583	10.7
109.10162	61.3
111.08120	3.2
117.06999	2.4
119.08585	10.3
121.10152	9.2
123.11709	8.7
125.09673	4.1
131.08540	3.1
133.10153	4.8
135.11655	5.0
137.09604	7.5
139.11160	12.4
140.14326	3.1
141.12706	3.8
145.10168	3.5
147.11681	4.1
151.07588	2.6
155.10678	26.6
159.10425	2.1
161.13290	4.6
165.12767	3.8
173.11751	85.4
174.99260	4.3
176.98947	7.2
178.08650	7.5
189.11194	3.1
193.12154	4.3
211.13283	7.3
231.21198	2.8
259.20660	3.2
277.21634	24.1
287.26266	3.2
294.24277	2.5
295.22726	16.6
330.16922	4.3
330.30032	6.1
330.33609	4.3
340.88113	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	330.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.03942	3.5
55.01872	1.2
57.03426	2.0
61.01140	1.7
61.02903	0.8
69.03432	11.0
69.07047	0.8
69.89104	1.3
69.89523	1.3
70.06596	1.3
71.04996	1.1
73.02917	2.2
75.61094	0.5
78.03458	14.1
79.05491	0.7
80.05017	2.0
81.03420	17.8
85.02905	14.2
87.04453	0.8
91.05492	0.7
93.07034	0.6
96.04490	3.4
97.02898	6.9
98.21445	0.7
98.97636	1.2
98.98471	23.1
99.04455	3.3
105.03419	0.9
106.02919	71.1
107.04960	9.0
107.08531	0.7
109.02888	13.0
110.05995	0.6
114.96923	0.5
116.07080	0.7
123.04406	1.2
124.03957	100.0
125.04310	0.6
127.03922	11.9
140.07153	0.6
145.04935	1.7
147.04414	0.6
150.09166	4.2
150.10231	0.7
161.05992	0.7
163.03844	0.6
165.05620	0.6
166.05035	1.9
168.06599	1.5
168.10220	5.7
174.99197	0.8
175.99689	0.7
176.98940	1.2
193.04974	0.8
196.06059	0.9
197.01099	0.5
197.02956	0.6
208.05983	0.9
232.06026	4.0
233.04697	1.1
237.02892	0.6
250.07118	38.7
268.08163	34.5
300.27066	0.6
330.11935	8.2
330.15662	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	330.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01872	0.2
57.03426	0.2
60.60025	0.1
61.02929	0.1
64.86142	0.1
68.04985	0.1
69.03439	1.1
71.56886	0.2
73.02919	0.2
79.05492	0.5
80.05022	0.3
81.03418	0.4
81.05801	0.1
81.07056	0.2
85.02905	1.1
87.04465	0.2
91.05481	0.3
92.06267	0.3
93.05785	0.3
94.06553	0.4
97.02878	0.7
98.98481	1.0
99.04454	0.2
100.13593	0.1
105.07034	1.6
106.06550	0.3
107.07340	3.2
107.31113	0.1
108.08186	0.1
109.02901	0.2
110.09682	0.1
117.05762	0.5
120.08066	0.3
121.08926	0.2
122.09677	8.4
127.03909	0.3
132.08104	0.4
135.06816	1.0
138.09108	0.2
150.09152	100.0
151.09500	0.7
168.10211	5.4
192.21095	0.1
255.57317	0.1
315.08813	0.2
330.15427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.01872	6.1
55.05515	39.7
56.96568	6.3
57.03445	16.2
57.07079	7.5
59.63840	1.8
65.03944	5.2
67.05509	100.0
69.03437	3.6
69.07072	40.5
70.05137	8.3
71.04988	8.3
71.08630	6.9
72.08173	3.2
79.05500	37.6
81.03420	7.1
81.07063	88.0
83.04982	14.6
83.08624	26.1
85.06545	4.5
87.04488	5.0
88.07669	3.4
91.05487	23.8
93.07051	39.6
95.04972	13.8
95.08616	41.7
97.06541	6.9
97.10155	14.7
98.21481	2.4
98.98465	30.2
99.08109	4.9
101.06030	4.2
105.07057	14.9
107.04925	2.2
107.08575	21.0
109.06530	5.4
109.10162	54.6
111.08103	12.3
117.07018	3.6
119.08588	18.0
121.10152	14.6
123.08057	2.5
123.11725	17.8
125.09635	14.3
129.32790	2.2
131.08554	4.8
131.89059	2.3
133.10149	13.4
135.08069	6.1
135.11711	8.0
137.09618	9.4
139.11180	11.0
141.12755	4.2
147.11710	9.5
149.13246	9.3
151.11169	3.2
153.09119	5.0
153.12759	4.5
155.10675	29.5
156.17516	2.5
157.10170	5.6
161.13289	9.4
163.14867	4.5
165.12816	5.0
171.11710	2.9
173.11763	35.3
174.99182	2.5
175.14908	3.8
176.99010	4.4
178.08601	2.4
189.11240	7.2
189.12756	2.5
193.12274	6.4
195.13715	2.2
207.13797	2.9
211.13342	8.6
211.90619	2.1
213.08008	2.6
221.15515	2.4
229.07570	5.0
231.21075	3.1
241.19446	3.9
243.09041	2.7
259.20590	5.4
265.21552	2.3
267.09070	3.2
268.30011	4.9
269.10571	2.9
275.64404	2.7
277.21637	49.4
285.10083	3.2
294.24362	2.8
295.22745	27.9
297.04340	2.2
330.30002	7.7
330.33716	24.7
331.15872	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24146	0.3
52.39616	0.2
52.54056	0.2
53.03943	0.3
53.22481	0.3
55.01881	0.4
55.05516	7.7
56.96574	1.7
57.03439	3.6
57.07080	4.5
61.02928	0.6
61.44396	0.2
62.24040	0.2
66.59559	0.3
67.05176	0.4
67.05508	5.2
69.03433	0.4
69.07072	10.9
70.08887	0.7
70.09307	0.5
71.04980	0.5
71.08635	2.4
77.01608	0.3
77.64066	0.2
79.05498	2.0
81.03419	0.7
81.07059	4.8
83.04980	0.7
83.08620	7.0
85.02912	0.9
85.06559	0.5
85.10178	1.0
88.07616	0.5
91.03959	0.4
91.05475	0.7
93.07047	3.1
95.04979	0.3
95.08611	4.3
97.02872	0.4
97.06537	1.8
97.10179	4.5
98.98469	100.0
99.08126	0.3
100.98891	0.7
101.06030	0.4
102.08253	0.2
104.99300	0.4
105.07032	0.6
107.08591	1.9
109.10170	3.6
111.08087	1.5
111.11726	1.0
115.07549	0.3
116.99509	1.5
117.06981	0.3
119.08604	0.5
121.02856	0.3
121.10149	2.7
123.11708	0.9
125.09664	1.3
125.13343	0.3
127.03927	0.3
130.12735	0.3
131.08586	0.4
133.10123	0.5
135.11703	2.3
137.13293	0.6
139.11179	1.0
140.01125	1.3
143.10689	0.4
145.05031	0.3
145.35059	0.2
149.13240	1.8
153.12775	0.7
155.10638	0.3
157.12259	0.4
163.14868	0.9
167.14343	0.7
171.03287	0.3
173.11757	0.8
174.26093	0.3
174.97711	0.5
174.99234	9.1
176.98914	4.5
177.16385	0.3
178.08783	0.2
181.15863	0.4
185.04832	0.3
193.12227	0.4
195.17519	0.3
211.06438	0.3
211.13245	0.3
217.07512	0.3
219.21107	2.0
229.07506	1.6
229.14342	0.9
232.96516	0.3
237.22137	2.7
237.54547	0.3
243.08905	0.6
247.08644	0.6
247.32756	0.2
249.08063	0.3
250.97795	0.3
251.00021	1.2
252.09045	0.4
252.99754	2.0
255.23445	0.4
257.38037	0.2
267.09039	2.5
285.10107	4.0
288.14871	1.0
297.15323	1.6
297.65762	0.4
306.15738	0.4
308.11728	0.4
308.66129	0.4
311.25778	1.9
329.17746	1.7
329.20822	0.4
329.26883	15.7
329.32358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.8
55.05511	38.1
56.96558	14.8
57.03439	9.0
57.07077	6.8
61.29875	3.7
67.05507	100.0
68.79839	3.7
69.03430	3.8
69.07077	36.1
69.84007	8.3
69.84397	7.1
71.04986	9.3
71.08625	3.7
78.84215	3.1
79.05489	27.8
81.07062	72.2
83.04980	19.8
83.08625	27.0
91.05486	21.0
93.07051	43.0
95.04980	14.0
95.08614	43.3
97.06534	10.1
97.10178	13.9
98.97565	2.8
98.98466	39.0
105.07036	19.8
106.02531	3.2
107.08624	20.2
109.06569	5.7
109.10155	49.8
110.83053	3.6
111.08075	8.6
117.07006	3.7
119.08595	18.4
121.10140	19.1
123.08099	5.5
123.11733	11.9
125.09661	13.6
131.08578	6.1
132.06870	3.1
133.10143	14.0
135.11737	8.5
137.09637	8.1
137.13258	3.7
139.11186	24.3
140.14354	5.5
143.08604	3.0
147.11682	10.6
149.13239	6.5
151.11156	4.6
153.09108	4.8
153.12804	4.4
155.10634	29.7
157.10172	3.6
161.13275	10.7
163.11209	3.3
165.12781	6.7
167.78793	3.2
172.13324	4.2
173.11748	45.3
175.11273	3.1
177.12688	3.9
185.13261	4.1
189.11261	5.5
189.80823	2.9
193.12299	10.0
211.13327	19.4
231.21138	5.9
241.19574	5.5
259.20493	7.6
277.21606	50.0
279.64529	3.5
288.65247	5.4
295.22687	29.2
297.15311	6.0
297.65543	34.8
298.15665	9.6
306.66034	10.5
309.16183	8.4
330.30023	7.9
331.18872	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	329.1595
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
53.03941	0.9
55.05511	1.5
56.96568	1.1
57.03441	2.6
58.50681	0.4
61.02930	0.9
67.05499	2.5
69.03439	3.9
69.07056	1.2
69.17708	0.4
69.28928	0.9
69.29322	3.7
69.70409	0.4
70.53872	0.5
70.70213	0.5
71.04973	0.6
73.02924	0.6
75.04478	2.7
76.57508	0.4
79.05499	5.3
81.03416	4.2
81.07082	2.7
83.04987	0.6
83.08606	1.2
84.96069	0.6
85.02905	4.4
91.05483	5.2
93.07046	32.4
95.04973	1.8
95.08636	2.7
97.02903	1.6
97.06539	0.9
97.10150	0.6
97.30058	0.4
98.98470	100.0
105.03407	0.7
105.07047	3.7
107.04900	0.6
107.08613	2.8
109.02888	1.9
109.06470	0.7
109.10181	1.7
111.08086	3.0
116.99507	1.0
117.07071	0.7
119.08585	9.0
121.02874	0.4
121.06519	0.8
121.10147	38.7
123.08121	0.7
123.11757	1.0
125.09631	0.6
127.03939	1.7
131.08583	1.3
133.10188	1.1
137.05975	0.6
139.11201	3.0
139.49532	0.4
140.01025	0.6
143.08562	0.5
145.04955	0.7
145.10149	1.0
147.11615	0.5
149.09622	6.1
149.13196	0.5
159.11671	0.6
163.11156	0.5
167.10681	15.6
174.99232	8.1
175.11127	0.5
176.98944	4.3
177.05524	0.5
182.22514	0.5
184.01570	0.5
185.04842	0.6
191.10701	0.6
193.12314	0.6
229.07541	1.5
229.14355	0.6
230.34775	0.5
243.08847	0.7
247.08583	1.0
251.00043	0.8
252.99773	2.1
267.09061	1.9
285.10001	2.4
293.13953	1.1
311.14822	1.0
329.00381	0.5
329.16641	1.5
329.21213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
67.05479	0.8
69.03452	1.1
70.06599	0.8
71.54436	0.7
77.01624	0.6
78.64047	0.5
79.05463	0.8
81.07041	0.5
83.04989	0.8
85.02915	1.7
86.09705	0.7
87.04477	0.9
91.05501	4.3
92.76323	0.5
93.07053	1.5
95.04978	1.1
95.08612	1.0
98.98471	100.0
99.04441	0.6
100.98923	0.7
105.03397	10.3
107.04964	2.0
107.08633	1.5
109.06513	2.9
111.00795	0.5
115.03946	0.7
116.99495	1.0
119.04922	1.3
120.08121	0.9
121.06522	2.5
121.10189	1.7
123.04436	0.8
131.08582	0.5
132.08917	0.5
136.07590	6.8
137.05978	1.4
143.08525	0.7
147.04408	0.7
149.06030	0.9
149.09663	3.0
151.11124	0.5
166.08643	0.6
167.06992	1.4
167.10674	3.1
174.99223	10.6
175.07715	0.6
176.98955	5.7
177.05394	1.3
184.04575	1.4
202.91280	0.5
205.08481	0.7
210.02545	1.7
238.75758	0.5
252.99696	1.7
329.15710	99.1
330.16052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05510	0.6
56.94287	0.3
57.03419	0.4
59.04999	0.7
64.83410	0.3
65.03941	1.0
67.01871	0.3
67.05499	1.0
68.99820	0.6
69.03064	0.6
69.03426	4.1
69.07066	0.9
69.43531	2.4
71.05007	1.5
73.06546	0.4
77.01596	0.4
79.05498	3.7
81.03427	2.6
81.07059	26.8
83.05000	0.4
85.02912	2.5
85.06514	0.3
87.04462	0.9
89.26236	0.3
91.05478	1.2
91.93392	0.3
93.03412	1.0
93.07033	1.9
95.04965	1.2
95.08612	0.9
95.12450	0.3
97.02904	1.1
97.06519	0.4
98.98470	88.2
99.04443	1.5
99.08098	3.8
100.98875	0.6
103.05488	0.5
105.03396	0.9
105.07041	8.2
107.04942	0.8
107.08574	0.7
109.02881	1.7
109.06552	0.4
111.04433	0.5
115.05482	0.4
116.99525	1.4
117.07011	0.6
119.08566	0.5
120.08083	0.3
121.02859	2.3
121.06494	0.7
121.10162	1.3
123.04463	1.2
123.08057	0.4
125.02390	0.3
127.03919	1.6
127.07558	6.8
131.04956	0.6
131.08612	0.6
133.02869	0.4
133.10176	0.4
135.04390	1.5
137.02319	2.9
137.05972	4.2
138.03116	0.5
140.01082	0.4
143.03404	0.3
145.04970	0.5
145.06447	0.4
145.10130	0.3
147.04482	0.5
147.08041	0.4
148.07582	0.3
149.02342	4.4
149.05952	0.7
149.09645	1.2
153.01837	0.4
159.11664	0.4
160.05186	0.6
161.02402	1.7
163.03929	0.5
163.07550	0.4
165.01848	0.8
165.09174	0.9
166.02635	0.3
167.03418	4.9
167.06978	0.5
167.10683	1.1
167.28163	0.3
172.05263	0.5
174.99228	8.6
175.00691	0.6
175.07571	2.1
176.98935	4.0
177.01886	2.5
179.03416	0.5
181.06444	0.6
187.07550	1.6
195.02936	3.1
201.07622	0.5
205.08679	0.5
207.10217	0.9
225.11217	0.8
227.07095	0.6
231.06660	0.3
231.08702	1.3
243.06621	0.5
244.07211	0.5
245.04323	1.4
251.00024	0.9
252.99651	1.6
255.06503	1.6
257.08258	0.4
258.05261	0.8
271.06021	1.3
272.06732	1.6
279.07498	0.3
279.10437	0.4
283.06061	9.2
283.09253	0.5
285.04065	0.4
286.04648	3.3
290.72305	0.3
299.05515	7.6
299.14899	0.8
300.06284	11.3
301.07083	1.0
311.05545	8.2
311.09357	0.6
311.15488	1.6
329.06580	100.0
329.15671	55.7
330.06897	1.3
330.16019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.5
57.23712	0.3
59.04998	1.0
61.65691	0.3
67.05519	0.3
68.56540	0.3
69.03434	0.8
69.07092	0.4
70.06597	0.7
70.12069	1.0
70.12444	0.7
73.02895	0.4
73.06564	0.9
74.06881	0.6
77.01579	0.4
78.32762	0.3
79.05485	0.7
81.07046	0.5
81.71120	0.3
85.02909	1.5
86.09696	0.6
90.48107	0.3
91.05482	0.9
93.07058	0.4
95.04958	1.2
95.08594	0.4
97.02903	0.4
98.98471	100.0
99.87907	0.3
100.09275	0.3
101.33878	0.3
105.03393	2.3
107.04947	1.3
107.08608	0.6
108.58166	0.4
109.02884	0.4
109.06551	0.4
112.83831	0.4
116.07092	0.5
116.98738	0.4
116.99524	1.9
120.08092	0.9
121.02856	2.2
121.06483	0.4
121.10133	0.5
123.04453	0.6
131.08508	0.4
133.02867	0.6
137.05974	0.8
139.03912	0.7
147.04417	0.5
149.05992	1.7
149.09593	1.1
150.12086	0.8
161.16399	0.3
163.03857	0.3
167.07018	2.9
167.08974	0.5
167.10684	0.4
174.99242	10.2
176.98909	5.0
197.11494	0.4
215.11208	0.3
219.01704	0.4
250.99892	0.8
251.31516	0.3
252.99751	2.2
329.12094	59.8
330.12527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10105	0.5
55.01865	0.7
69.03434	3.7
69.90986	1.2
69.91407	1.6
71.04995	0.7
72.27235	0.5
79.05498	1.3
81.03411	1.4
81.07055	1.7
85.02912	3.4
91.05492	1.7
93.07050	3.0
95.04994	1.2
95.08594	0.8
97.02901	1.8
98.20819	0.6
98.98474	53.0
99.04439	1.0
103.05456	0.6
105.07032	1.2
107.04956	6.7
107.08617	1.4
109.02847	0.6
109.06503	3.4
110.89066	0.6
111.08076	1.0
116.99586	0.6
119.08569	1.0
121.06535	2.8
121.10160	2.1
126.82453	0.5
127.03909	1.2
131.04939	0.7
131.08571	1.9
133.06512	1.2
137.06015	1.2
145.04916	1.2
149.05981	1.2
149.09622	5.1
167.07086	1.0
167.10704	2.2
174.99246	5.6
175.07591	1.0
176.98959	2.4
252.99847	1.0
329.15732	100.0
330.15891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01866	5.6
55.05513	46.3
56.96555	4.8
57.03441	8.6
57.07058	1.5
59.04992	3.9
62.90498	1.5
64.95454	1.3
65.03931	3.3
67.05505	81.9
69.03413	6.6
69.07072	38.6
69.48507	8.6
71.04991	11.3
73.06547	1.9
73.92670	1.3
77.03915	1.6
79.05495	100.0
81.03417	9.2
81.07059	71.1
83.04988	7.8
83.08626	29.0
85.06533	5.5
88.20632	1.4
91.05486	52.9
93.07045	85.0
95.04976	24.9
95.08611	51.5
95.09156	1.3
97.06535	7.1
97.10169	24.6
98.21482	2.1
98.98471	96.2
99.08131	1.6
101.73048	1.5
103.05444	1.7
105.04517	2.7
105.07028	38.0
107.04906	3.0
107.07870	2.6
107.08593	46.3
109.06512	7.7
109.10155	43.8
111.08078	7.7
113.09650	1.5
117.07020	10.0
117.07742	1.6
119.07809	2.6
119.08590	37.3
121.06510	2.4
121.10150	56.6
123.08039	4.5
123.11702	5.2
125.09634	21.1
128.43095	1.3
129.07019	3.3
130.93303	5.9
131.08585	11.9
133.10143	23.7
135.08083	4.6
135.11685	8.4
137.09621	19.8
139.11174	5.1
143.08574	4.6
145.10149	14.6
147.11670	15.3
147.38928	1.6
149.09599	6.6
149.13252	2.5
149.88425	1.6
151.11197	1.8
153.09166	3.4
155.10660	12.5
157.10161	2.9
159.11687	5.6
161.13237	7.9
163.11195	3.8
163.14746	1.7
170.01741	1.6
171.10194	3.1
171.11642	3.6
172.94301	10.0
173.11768	34.5
173.13246	4.7
174.99208	6.7
175.11105	2.5
175.14746	2.1
175.99541	1.6
176.98932	2.8
179.14291	5.7
183.11732	4.3
187.11147	1.5
189.11234	23.6
189.12769	3.1
190.95418	10.8
193.12248	4.9
199.14816	1.9
208.96500	3.3
209.15358	3.3
211.13266	6.9
214.95427	3.2
223.13330	4.0
223.91850	1.4
229.07614	1.9
229.19412	2.3
232.96449	16.2
239.17995	3.7
250.97533	4.9
255.97992	2.1
256.09518	1.8
257.19022	6.0
262.93866	3.4
275.20068	39.9
280.94879	2.5
287.05630	2.0
292.22559	2.1
293.21109	9.3
328.15359	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.05275	4.1
55.05516	62.6
67.05508	21.8
68.61591	2.1
69.03429	7.5
69.07066	19.6
69.74036	2.9
70.58731	3.9
70.59081	6.1
79.05499	34.3
81.07059	21.6
83.04961	3.1
83.08617	42.8
90.03493	2.1
91.05461	15.2
93.07037	13.4
95.08598	10.3
97.10175	91.9
98.98471	28.3
105.07040	16.7
107.08604	95.5
109.06515	2.6
109.10155	7.7
111.08098	2.9
119.08584	5.6
125.09633	79.9
131.08575	6.6
133.10112	9.0
135.08054	8.0
135.11697	2.4
137.05939	5.4
138.06326	3.5
143.10687	3.2
145.10071	6.5
147.11699	8.3
149.09592	7.3
151.07542	5.2
152.07802	4.3
153.09125	2.6
159.11714	4.7
161.96024	2.3
163.11182	3.3
171.10222	23.9
172.94331	4.1
175.21652	2.3
181.12231	3.9
189.11227	100.0
203.10587	3.1
226.22427	2.3
232.96388	4.1
239.17786	3.3
257.18964	10.3
275.20068	94.8
293.21133	8.8
328.16153	4.8
330.03745	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46385	0.8
53.03938	2.5
54.10904	0.9
54.60109	0.8
55.01870	1.7
55.48439	0.8
56.82882	0.9
56.96559	2.4
57.03430	2.9
59.04713	1.8
59.05005	32.7
60.05640	3.6
61.02919	3.8
67.05495	1.0
69.03085	1.2
69.03435	15.1
69.88306	0.9
70.06571	1.2
71.04990	1.1
71.38318	1.3
71.38654	1.1
73.02909	3.9
81.03423	10.0
83.01358	1.4
85.02908	34.6
85.06570	1.1
87.04473	41.8
91.03948	2.2
97.02896	31.8
97.03526	1.7
98.97593	3.4
98.98472	100.0
99.04462	4.3
105.03390	2.9
105.05510	38.9
107.02647	0.9
107.04953	3.5
109.02209	1.5
109.02885	11.7
110.97546	1.4
115.03899	1.4
116.98610	1.6
116.99492	2.4
120.08097	5.5
123.04480	2.1
127.03925	27.3
128.98634	1.0
132.08107	1.4
137.05981	2.1
145.04970	23.9
148.04816	0.8
148.07550	1.9
148.11197	1.5
149.08138	1.4
153.05437	1.2
163.03864	1.4
163.06082	1.7
166.04950	1.3
166.08568	6.6
166.09875	5.0
166.12267	2.9
172.94344	1.0
174.99228	9.9
175.99615	2.5
176.98933	3.2
188.03769	0.9
190.95435	0.9
213.07561	2.4
219.01805	2.2
231.08636	19.3
232.96442	1.1
237.02803	2.2
249.09682	19.8
251.00105	1.1
275.11188	2.2
292.11691	1.1
293.12283	1.8
310.12769	2.2
328.10263	5.4
328.14008	10.2
329.11978	2.8
331.78235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.8
59.05004	53.3
60.72097	0.8
69.03434	3.0
69.91156	4.1
73.06557	100.0
81.03424	1.1
85.02903	9.8
97.02901	1.9
98.98461	9.8
99.05611	0.8
117.09125	12.7
127.03931	1.6
131.10692	11.7
148.07611	3.1
149.11736	68.6
166.08647	2.2
172.25226	0.9
174.99376	0.9
190.08684	1.5
203.12653	0.8
328.15494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08676	0.8
53.03937	2.0
55.01876	0.8
55.98949	0.7
56.96547	1.5
57.03432	1.0
59.05004	1.5
61.02914	2.0
67.05486	0.7
69.03428	5.8
70.06596	1.1
70.16154	0.6
71.04987	1.3
71.53585	1.3
73.02903	1.6
73.06551	2.8
79.05502	1.1
81.03405	3.1
81.21006	0.8
82.06541	0.8
84.08148	0.8
85.02908	10.6
86.09687	1.5
87.04417	0.9
91.05468	1.1
93.07022	2.9
94.06552	1.8
94.94418	0.7
95.04960	2.5
95.07337	2.4
96.08115	3.0
97.02885	3.8
97.06558	0.8
98.98470	58.8
99.04442	0.9
103.03918	1.6
103.05472	1.3
105.03391	19.9
107.04942	2.1
107.07317	3.0
108.08111	3.1
109.02863	1.0
110.06026	2.4
110.09698	8.2
116.99517	1.4
120.08104	6.7
122.09674	5.5
123.04428	1.3
123.06755	0.9
123.94506	0.7
124.07577	1.4
127.03909	2.0
136.07556	2.4
137.08356	2.5
138.08141	1.0
138.09154	12.2
139.14796	1.1
145.04971	1.4
147.04428	2.9
148.04744	1.2
148.07547	5.0
149.05952	4.4
149.11703	1.7
150.09154	22.2
158.99762	0.8
163.03903	2.0
165.05518	1.2
166.08641	100.0
167.06978	1.1
168.10181	4.6
174.99295	5.5
175.99596	2.1
176.98932	1.3
181.70012	0.8
190.08617	1.0
194.65054	0.7
208.09718	1.5
210.06468	0.8
229.05386	1.0
250.75735	0.7
252.99702	1.0
270.71021	0.9
328.10654	1.5
328.14706	1.8
329.12134	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	328.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60515	0.3
53.03936	0.8
54.51384	0.2
58.89070	0.2
61.02925	0.4
67.05482	0.3
68.05840	0.3
69.03422	1.1
69.28777	1.9
69.29187	0.6
71.04995	0.3
76.12013	0.2
77.03944	0.3
79.05500	2.2
80.05028	0.7
81.03393	0.8
81.07062	0.3
81.08735	0.3
85.02916	1.5
91.05490	2.3
92.04996	0.3
93.07048	2.6
97.02882	0.8
98.98473	7.6
98.99119	0.4
103.05470	4.1
105.05782	0.7
105.07001	0.3
106.06545	0.4
107.04903	0.4
107.08546	0.3
109.02879	0.3
110.06031	0.3
118.06537	1.0
119.07339	0.9
120.08113	13.5
127.03934	0.3
130.06526	2.3
133.05199	0.4
148.07578	100.0
149.07893	0.8
166.08638	7.0
174.99287	0.8
202.11665	0.3
204.70128	0.3
229.21678	0.3
234.09395	0.3
243.02275	0.2
276.07602	0.2
302.21609	0.3
328.14740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01880	1.2
57.03440	2.1
61.02933	3.8
64.91325	0.4
69.03436	9.8
71.05000	1.7
71.56718	0.5
73.02927	1.5
79.05524	0.7
81.03429	3.8
83.01362	0.5
85.02911	24.6
87.04485	1.5
91.03961	1.5
96.04491	3.6
97.02900	9.5
98.98473	13.4
99.04473	1.6
104.05022	0.5
105.07031	1.1
106.02949	1.1
107.08600	0.9
109.02905	3.2
119.15665	0.4
120.08104	0.4
124.03954	4.3
127.03932	5.2
145.04958	5.4
148.02168	75.9
151.03786	0.4
166.03232	100.0
166.12282	1.6
174.99225	1.7
189.04779	0.9
191.02072	0.4
193.18942	0.4
198.53854	0.4
218.18277	0.4
250.07098	0.5
268.08136	0.6
328.08450	3.0
328.12021	0.5
328.13782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01869	3.0
55.05511	8.7
57.03431	2.5
57.07077	3.6
64.92273	1.1
65.03948	1.5
67.05506	19.1
69.07077	7.2
69.29652	9.6
69.30065	3.0
71.04973	2.0
77.03919	2.5
79.05502	15.5
81.03399	2.9
81.07056	16.9
83.04974	1.8
83.08604	3.6
85.06535	3.0
88.27487	1.3
91.04973	1.9
91.05490	22.8
93.07044	46.6
95.04971	43.3
95.08613	34.8
97.06548	11.3
98.20737	2.4
98.98470	100.0
103.05455	4.6
105.04517	2.3
105.07034	34.0
107.08600	19.4
109.06517	5.3
109.10173	13.4
115.05466	2.1
117.07005	9.0
119.08587	33.6
121.06528	11.7
121.10153	17.5
122.03598	1.4
123.08067	5.2
123.11702	4.6
128.06224	4.3
129.07034	6.6
130.07820	3.7
131.04932	1.9
131.08568	16.5
133.10138	30.8
134.10930	1.4
135.08092	6.2
135.11707	7.2
137.05986	6.3
137.09659	3.6
141.06967	3.0
142.07785	5.7
143.08565	14.3
144.09378	2.7
145.06490	1.7
145.10117	23.7
147.08034	2.7
147.11705	7.9
149.09628	3.0
149.13271	1.8
151.07619	1.7
152.06239	11.4
153.07004	7.9
155.08571	2.3
156.09364	4.9
157.10147	17.1
158.10960	1.8
159.08083	2.3
159.11687	22.1
161.09630	9.4
161.13303	3.3
163.07474	2.3
163.11281	2.1
167.08601	1.5
168.05695	2.5
169.06427	1.2
169.10147	9.2
171.08046	4.5
171.11717	10.1
172.12541	1.4
173.09656	2.0
173.13321	7.6
173.14575	1.5
174.99255	13.5
175.14832	11.3
180.93712	1.4
181.10104	4.3
182.10931	2.2
183.11740	7.6
184.12453	1.7
185.13217	5.1
187.11169	5.1
187.14801	7.6
188.08372	3.3
193.10185	1.8
195.11749	1.7
196.12476	2.6
197.13263	5.1
199.14830	5.5
201.12720	1.6
201.16302	1.7
203.10704	5.4
205.10481	1.6
205.15891	1.8
209.13344	4.2
211.14789	5.4
213.16388	3.8
215.02664	1.9
215.14243	2.2
217.15915	2.9
220.12564	1.7
221.13324	2.0
223.14838	2.6
225.16457	2.3
227.14188	1.6
228.09383	2.8
233.03653	11.0
235.14859	1.7
239.18015	2.2
249.16354	1.5
251.00012	3.4
251.04718	3.7
253.15829	2.0
261.96860	1.4
268.56277	1.4
309.22070	6.2
327.03915	2.4
327.07834	45.0
327.15842	4.9
327.23172	7.7
327.30203	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75877	0.9
53.03936	3.5
55.01884	2.0
55.05512	6.2
57.03439	2.0
57.07064	3.0
67.05511	14.5
69.03396	1.3
69.07070	8.2
70.11119	3.9
71.04977	1.6
79.05502	10.4
81.03424	2.3
81.07060	14.4
83.04984	0.9
83.08605	2.6
85.06544	2.2
91.05482	15.4
93.07049	31.6
95.04370	1.6
95.04975	27.6
95.08612	24.1
97.06532	6.8
97.10163	2.2
98.98472	100.0
105.04522	1.9
105.06394	2.0
105.07039	22.7
107.04965	1.3
107.08588	16.2
109.06514	4.9
109.10168	9.0
112.72100	1.0
115.05453	2.0
116.99493	1.3
117.07013	6.0
119.08585	26.4
121.06518	6.9
121.10146	13.1
123.08070	5.8
123.11701	3.7
125.09689	2.6
128.06219	1.8
129.07053	5.2
130.07770	2.4
131.08572	12.0
133.06485	1.2
133.10132	18.4
135.08054	5.8
135.11691	5.8
137.09610	3.2
138.56703	1.1
141.06966	1.5
142.07803	4.6
142.77000	1.1
143.08571	7.2
143.93867	0.9
144.09268	1.6
145.10132	16.2
147.08011	2.7
147.11667	6.8
149.09628	2.4
149.13286	1.8
155.08531	2.1
156.09352	3.0
157.10143	13.0
158.10918	1.8
159.08080	2.4
159.11700	15.5
161.09608	7.2
161.13264	3.4
167.08638	1.2
168.09442	1.0
169.10110	7.4
171.11673	5.5
172.12413	1.3
173.09590	1.1
173.11992	1.3
173.13211	6.1
174.14082	1.2
174.99217	15.1
175.14847	8.3
179.08507	1.5
181.10100	1.5
182.10872	2.2
183.11679	4.7
184.12407	1.0
185.13210	4.3
187.11137	3.6
187.14844	5.6
189.16377	1.2
194.11057	1.4
195.11685	3.2
196.12621	1.6
197.13295	4.9
199.14801	4.3
201.16408	1.8
207.11618	1.4
209.13184	4.6
211.11053	1.1
211.14783	3.2
213.16374	2.0
215.14316	1.5
217.15848	1.5
221.13405	1.5
223.14789	1.3
225.16328	3.0
229.15793	1.2
235.14763	1.6
239.17862	1.2
250.99991	3.3
253.15819	1.4
291.20935	1.7
309.22260	2.7
327.07974	2.0
327.23077	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
56.87159	1.3
57.03428	3.1
57.07080	100.0
60.77656	1.3
61.02901	1.5
69.03433	17.8
71.04990	3.1
71.54407	2.3
79.05512	1.5
81.03426	36.0
81.07077	1.5
85.02914	33.3
85.06553	27.4
91.05470	1.4
93.07046	2.0
95.57821	1.3
97.02900	25.5
98.97555	2.2
98.97820	1.7
98.98479	24.7
99.04490	3.2
103.05437	1.7
103.07595	13.8
105.07043	2.4
107.08567	2.1
108.08129	1.8
109.02888	23.4
127.03928	31.6
131.05002	2.7
133.06496	6.1
135.08099	2.6
137.05986	23.5
145.04968	16.6
150.12775	2.5
151.07550	2.5
163.03975	2.1
163.07562	10.9
164.04207	2.5
164.07101	2.0
174.99246	2.6
182.70372	1.7
211.09650	3.4
219.08383	1.3
229.10739	69.4
247.11786	87.3
282.17068	10.4
295.13379	2.4
298.03906	1.5
326.19641	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	327.1076
Annotation	cis-beta-D-Glucosyl-2-hydroxycinnamate
Peak:m/z	Relative Intensity
55.01857	0.8
55.05503	1.6
65.03929	1.1
67.05502	2.3
67.72614	0.6
69.03423	1.4
69.07073	2.9
71.55114	0.6
79.05488	1.2
81.03413	2.0
81.07058	3.4
83.08609	1.3
85.02890	1.6
91.05486	9.9
93.07053	2.1
95.04968	0.6
95.08629	3.4
97.06525	0.7
98.98470	72.9
105.07033	0.8
107.04948	0.6
107.08576	1.3
109.02873	1.0
109.10153	1.8
116.99490	0.7
119.04947	20.8
119.08593	1.5
121.10168	1.9
122.03579	0.7
123.11660	0.9
137.05984	9.4
137.09612	1.5
147.04416	100.0
147.11681	0.7
149.13237	0.7
151.03915	1.3
161.05977	0.6
165.05484	4.0
174.99223	10.5
175.07588	0.8
177.05470	1.1
217.89293	0.6
234.06796	1.1
240.07349	0.6
249.09109	2.2
251.00053	2.0
251.07164	0.7
267.10300	0.9
269.11389	0.6
277.08636	4.0
278.13034	0.5
283.09644	0.7
286.38025	0.6
291.08643	1.7
291.26923	0.6
295.09570	0.6
297.28012	1.3
299.12738	1.0
309.10025	1.3
327.08698	0.9
327.12152	3.0
327.25290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.23534	0.4
56.96560	0.5
57.07072	0.5
65.03940	0.9
67.05508	0.9
69.07066	0.8
70.36251	0.8
70.36652	1.0
75.81062	0.3
77.01608	0.4
79.05495	1.5
81.07068	1.9
83.04968	0.4
89.00783	0.4
91.05486	23.7
93.07043	0.7
94.04196	1.4
95.04980	3.4
95.08601	1.0
98.98470	63.5
100.16551	0.4
100.46198	0.4
100.87565	0.4
105.07031	1.8
107.04935	0.4
107.08599	0.5
109.06519	1.4
109.10194	0.4
116.99494	0.8
117.07039	0.5
119.04947	19.8
121.10174	0.5
122.03657	4.8
123.08045	0.5
128.06252	1.8
131.08537	0.5
133.06487	1.4
136.05215	2.5
137.05984	82.6
140.01094	0.5
143.08566	6.7
145.06470	0.7
145.10132	1.1
151.07550	100.0
152.07918	0.7
158.59892	0.4
160.08852	0.8
163.07660	0.5
165.09126	9.3
171.08070	5.6
172.08852	1.6
172.94365	0.5
173.05980	0.6
174.99236	9.3
175.11234	0.8
188.08336	12.8
189.08852	0.6
200.03767	0.4
203.10680	40.0
204.10966	0.6
228.14523	0.5
232.96541	0.5
236.97229	0.4
250.99985	2.4
253.08679	0.8
269.08142	1.0
273.18414	0.5
283.09677	0.9
284.10400	1.0
285.10733	0.6
295.13342	0.4
298.11948	0.6
327.15912	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2376
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03955	1.1
55.01873	1.9
55.05516	14.3
56.96565	1.0
57.07084	4.9
57.07315	0.9
67.05511	13.8
69.03435	3.9
69.07074	16.3
69.33428	7.4
71.04990	3.0
71.08635	20.3
79.05493	8.5
81.07063	23.6
83.04984	1.0
83.08621	5.1
85.06536	2.9
91.05486	6.6
93.07058	13.2
95.04955	6.6
95.08611	18.5
96.36724	0.9
97.02892	1.2
97.06519	3.3
97.10164	3.2
98.20791	2.0
99.07494	1.4
99.08102	17.0
105.07043	7.3
107.04978	1.1
107.08610	7.4
109.06530	21.7
109.10168	6.5
109.15129	1.0
111.04411	1.0
111.08103	1.3
111.11742	1.2
117.07020	1.3
119.08601	5.9
121.06542	7.4
121.10190	6.0
121.10913	0.8
123.08097	4.4
123.11691	3.7
129.06992	1.2
131.08569	4.2
133.10126	3.6
135.08076	3.4
135.11722	3.0
137.09654	1.4
137.13243	1.7
139.11209	5.8
141.09131	1.2
143.08600	1.2
145.10164	2.3
147.08017	1.2
147.11705	1.7
149.09666	2.6
149.13228	2.8
153.12804	1.1
159.11685	2.2
161.13326	2.0
163.11168	3.6
163.14868	1.6
165.12759	39.6
173.13326	2.9
175.11183	1.2
175.14822	1.2
177.12822	4.7
177.16304	1.2
178.78412	1.0
179.14339	2.3
181.15878	12.4
187.14905	1.8
191.14363	3.0
209.15384	1.8
251.16280	4.8
251.23717	2.1
261.22174	16.9
271.20584	3.0
279.23245	6.3
289.21649	41.4
290.21970	1.9
307.22696	100.0
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
53.03941	6.2
55.01869	7.3
55.05515	30.4
56.96562	13.0
57.03429	14.7
57.07078	4.4
65.03925	5.2
67.05505	42.4
69.03413	14.4
69.07077	30.8
71.05008	20.4
71.15063	8.5
79.05122	4.9
79.05501	43.9
81.03420	6.7
81.07065	66.6
83.04959	10.3
83.08600	15.4
84.95999	5.2
85.02905	10.6
85.06552	7.8
91.05489	81.4
93.07054	59.8
95.04956	16.7
95.08612	45.3
97.02915	4.4
97.06528	21.7
97.10144	15.2
98.97585	14.8
103.05455	8.3
105.03349	7.6
105.07029	60.8
107.04957	15.7
107.08610	47.4
109.06553	20.2
109.10157	28.3
111.08101	7.2
115.33899	4.1
116.98626	7.6
117.07002	14.5
119.04981	4.3
119.08587	51.5
121.06502	14.7
121.10154	27.5
122.03675	7.5
123.08082	14.6
123.11764	7.4
125.09637	8.2
129.06929	6.0
131.08577	20.3
133.10132	35.5
135.08044	23.4
135.11667	22.2
137.05983	84.5
137.09602	11.8
139.11194	4.6
141.06979	5.6
143.08530	6.4
145.10138	19.8
147.07979	8.5
147.11693	19.2
149.06100	5.1
149.09619	15.3
151.07532	11.6
157.10152	10.8
158.07272	7.4
159.08067	19.3
159.11690	18.8
161.13261	8.1
163.03883	14.1
163.07544	6.3
163.11179	11.9
169.10229	5.7
171.11702	5.3
173.13239	10.0
175.11102	6.7
177.12675	5.0
181.12282	4.5
186.06749	10.6
189.11229	7.2
193.12386	4.3
195.13831	5.0
196.07965	4.4
197.13239	4.5
201.09134	57.0
213.16296	7.3
233.09767	5.0
233.15443	10.1
239.17981	8.1
247.20459	5.0
249.18443	8.5
257.19064	11.2
271.16928	11.2
274.58826	5.4
275.20062	100.0
289.17902	21.3
289.21271	7.3
293.21082	4.4
301.16608	5.1
307.15915	6.2
307.19043	15.9
307.22656	40.5
310.11914	8.5
325.14285	15.7
325.20190	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	325.1436
Annotation	Burttinol D
Peak:m/z	Relative Intensity
52.38969	0.4
53.03943	0.4
55.01875	0.4
55.05526	0.9
56.96545	0.7
57.03436	0.5
65.03936	0.6
67.05492	1.2
69.03425	0.7
69.07057	0.8
69.38963	2.1
69.39378	1.0
71.04984	0.8
79.05498	2.9
80.69813	0.3
81.03467	0.4
81.07069	3.0
83.08608	0.5
85.02910	0.6
85.87595	0.4
91.05485	9.9
93.07032	1.7
94.04195	3.4
95.04971	1.3
95.08612	1.5
95.56573	0.4
97.06527	0.8
98.20792	0.8
98.97585	0.7
105.07023	1.4
107.04973	1.5
107.08629	1.2
109.06516	4.6
109.10155	0.6
115.05437	0.5
117.07037	0.5
119.04945	4.6
119.08581	1.0
121.10117	0.7
122.03651	7.4
123.08051	0.4
130.19556	0.4
131.04950	0.4
131.08553	0.7
133.10110	0.9
135.11685	0.4
136.05235	0.8
137.05980	100.0
141.06999	4.8
143.08589	0.4
145.10146	0.9
147.11668	0.8
151.07542	16.6
157.06531	0.6
158.07268	11.7
159.08093	0.7
163.03926	1.3
169.06517	2.0
170.07286	1.2
173.09645	0.7
186.06755	14.9
187.07500	0.5
190.07730	0.5
201.09109	78.3
202.09866	2.2
205.10190	1.3
207.08134	0.7
218.07198	0.9
219.07982	0.6
232.08826	0.9
233.09592	3.4
235.07588	2.2
240.07910	0.4
247.07608	0.8
247.11243	1.0
249.09175	1.0
250.09912	0.8
251.10857	0.4
252.07828	0.6
253.05228	0.5
253.08571	0.8
261.09119	5.0
262.09915	0.6
263.07080	2.0
264.07797	0.7
265.08621	0.8
265.12186	2.0
267.10196	3.7
268.07306	1.6
275.10767	1.9
275.20023	1.8
277.08597	1.1
278.09308	2.1
279.10175	0.5
281.08023	1.0
283.09534	2.7
289.17773	0.8
292.11105	0.6
293.11676	4.9
294.12448	0.7
295.09622	3.4
296.10513	1.2
297.11014	0.4
307.13165	0.5
307.19254	0.6
307.22708	1.1
310.11932	7.1
325.14328	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	325.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01880	0.8
55.05510	3.2
57.07075	1.2
60.44722	0.6
61.06846	0.6
67.05508	9.1
69.03423	3.0
69.07077	7.5
71.04979	2.9
79.05504	4.8
81.03436	2.3
81.07055	21.1
83.05014	1.6
83.08633	3.3
85.02922	2.4
85.06556	1.8
89.03931	0.7
91.05467	3.7
93.07048	6.8
95.04981	0.9
95.08614	13.4
95.09176	1.1
97.02902	1.2
97.06557	2.5
97.10184	1.1
98.97619	1.3
99.08096	0.8
103.05486	1.7
105.07037	4.5
107.04983	1.5
107.08597	8.0
109.02888	0.8
109.06560	0.8
109.10159	13.2
110.97575	0.8
111.04459	0.6
111.08115	2.8
114.06413	0.6
115.05463	1.1
117.03378	0.9
117.07059	1.5
119.08605	3.7
121.02896	2.2
121.10131	4.0
123.11713	13.1
125.09663	2.2
127.03946	1.0
127.07521	0.8
129.06989	0.9
131.04958	2.0
133.02872	0.9
133.10132	1.3
134.99670	0.6
135.04407	1.8
135.08102	2.1
135.11726	3.0
137.05983	10.4
137.09633	0.9
137.13275	2.7
139.03932	2.4
139.11206	1.1
141.07024	1.7
145.02884	2.3
145.06541	0.8
145.10164	1.5
147.04440	1.1
147.08066	3.0
147.11752	2.1
149.13271	4.0
151.11223	1.0
159.11665	1.0
160.05234	1.0
161.06056	0.9
161.13297	1.0
163.03917	16.5
163.07574	3.4
163.11285	0.7
163.14876	1.1
165.12785	1.0
169.06523	2.0
169.12317	0.9
175.07559	13.8
175.09035	0.9
180.25124	0.7
187.13365	0.8
189.09222	1.1
201.09158	1.5
227.77074	0.6
233.09592	0.7
259.06064	0.7
278.14334	0.6
280.07968	1.9
289.08331	1.2
289.25473	0.8
289.58502	0.9
293.11923	1.3
307.08044	0.7
307.26318	3.6
309.45911	0.7
325.16330	100.0
325.27133	7.9
326.16513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Glabridin
Peak:m/z	Relative Intensity
53.03939	1.2
53.33105	0.8
53.92025	0.9
55.01869	2.2
55.05502	2.9
56.96575	1.3
57.03428	1.5
57.07073	0.7
57.61220	0.7
67.05511	5.1
69.03425	5.4
69.07075	5.0
71.04987	2.1
71.40217	0.8
71.56833	0.9
78.04700	0.8
79.05498	5.4
81.03417	5.6
81.07059	12.2
83.04967	1.6
83.08627	1.7
85.02917	5.5
85.06557	1.4
88.54921	0.7
89.03921	2.5
91.05482	11.5
93.07061	5.1
94.04189	1.3
95.04951	1.7
95.08157	0.7
95.08620	8.1
97.02875	1.6
97.10156	0.9
98.97609	1.9
99.04436	1.3
103.05450	6.3
104.06284	0.8
105.03333	1.0
105.07034	6.9
107.04971	5.8
107.08605	6.3
109.02876	2.2
109.06530	1.8
109.10141	5.4
111.04448	0.8
111.08036	1.8
115.05463	7.1
117.03381	4.1
117.07025	8.6
119.04955	1.2
119.08578	8.9
121.02880	4.9
121.06531	1.8
121.10143	3.4
122.03656	5.5
123.08067	1.6
123.11713	7.5
125.09638	1.5
127.03946	2.7
128.06239	4.0
128.98628	1.0
129.07022	7.2
131.04941	13.0
132.05716	6.8
133.02834	1.8
133.06517	2.1
133.10143	1.4
135.04425	9.2
135.08063	4.2
135.11678	2.0
137.05983	72.9
139.03886	1.3
141.06995	10.2
145.02872	5.1
145.06461	2.6
147.03348	0.8
147.04425	3.1
147.06944	1.6
147.08055	24.4
147.11707	1.6
149.06096	1.3
149.13254	2.5
151.07524	1.7
153.02072	0.8
155.06033	0.9
157.06477	2.1
158.07303	1.5
159.08051	1.3
160.05193	5.4
161.05980	9.9
162.60510	0.8
163.03915	44.8
163.07542	15.7
165.12737	1.1
169.06497	19.6
170.07271	1.3
173.09700	1.5
175.07553	100.0
181.05019	1.7
186.06770	2.4
187.07562	3.4
189.09119	7.6
190.07791	1.6
201.09126	10.5
202.07957	0.8
203.08458	0.9
205.10115	1.5
213.46773	0.8
215.08627	1.1
218.07256	1.0
231.08145	1.2
233.09615	4.9
237.08908	0.8
261.09103	4.2
265.08838	0.7
265.12216	3.4
278.09290	1.0
280.07791	1.5
280.58133	0.9
289.08386	2.6
289.58572	1.0
293.08383	0.8
293.11557	4.2
307.08075	2.2
307.18851	1.0
310.12015	1.0
325.14429	57.0
325.27222	2.0
338.64102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03943	0.5
55.05488	0.9
56.96551	0.5
57.03433	0.8
61.02914	0.9
65.03934	0.3
67.05499	1.3
69.03429	6.9
69.07069	1.5
70.87521	0.6
71.04966	0.7
71.89543	0.2
79.05492	2.3
79.98083	0.2
81.03415	1.7
81.07059	2.5
83.04958	0.7
83.08591	0.3
84.49680	0.2
85.02903	1.8
85.06532	0.3
89.03918	4.0
91.05496	1.5
93.07052	1.2
93.10236	0.2
95.04964	0.9
95.08604	1.5
97.02896	1.4
97.06540	0.4
97.10181	0.6
98.97591	0.9
99.04445	0.6
105.07021	0.8
107.04969	2.5
107.08591	1.6
109.02851	1.0
109.06518	1.2
109.10152	1.1
111.08053	0.5
111.11716	0.3
115.05487	0.3
117.03386	7.6
117.07034	0.6
119.04922	0.5
119.08566	1.0
121.02860	0.9
121.06512	0.6
121.10133	0.6
123.04481	0.3
123.08038	0.4
123.11667	0.4
125.09615	0.5
127.03910	3.4
129.06979	0.5
131.08539	0.4
133.02890	0.4
133.10130	0.3
135.04417	13.8
135.08044	1.6
135.11682	0.5
137.05980	4.6
139.07501	0.3
145.02852	11.2
145.04773	0.4
145.10066	0.3
146.05505	0.2
147.04402	1.6
151.07535	0.9
158.06068	0.2
158.07317	0.3
158.99687	0.3
159.07990	0.4
163.03903	100.0
164.04239	0.8
166.86140	0.2
167.10757	0.2
171.04530	0.3
175.07498	0.3
177.05540	0.5
178.07733	0.2
181.04964	0.9
186.05371	0.4
186.06801	0.8
197.08185	0.4
201.05536	0.4
201.09114	3.3
205.06636	0.4
205.22371	0.2
219.08043	0.3
233.05910	0.3
233.15419	0.3
237.09093	0.5
251.10794	0.2
253.08546	0.3
265.08566	0.4
267.06598	0.3
271.16852	0.4
283.09521	0.3
288.67355	0.2
289.17935	0.8
293.11627	0.3
295.09833	0.4
295.26480	0.3
297.11102	0.3
307.08179	1.6
307.18909	0.3
310.12061	0.4
315.66498	0.3
325.09622	3.0
325.14343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03960	0.3
53.37093	0.2
55.01897	0.2
57.03441	0.2
61.02936	1.4
63.75575	0.2
69.03436	3.2
70.47186	0.2
71.56695	0.2
77.77021	0.2
79.05489	1.1
81.03445	0.4
81.07072	0.5
83.75889	0.2
85.02900	0.9
89.03916	3.5
91.05466	0.4
93.07053	0.4
95.08618	0.5
97.02897	0.4
99.30437	0.2
105.03415	0.6
105.07043	0.5
105.31268	0.2
107.04961	1.9
107.08585	0.4
109.02895	0.3
115.05481	0.2
117.03386	6.8
117.06995	0.3
121.02862	0.2
121.10219	0.2
124.07604	0.5
127.03931	1.7
128.58559	0.2
131.08572	0.2
133.02826	0.3
135.04420	13.8
135.07996	0.4
137.06001	0.5
145.02853	11.8
148.78239	0.2
158.06094	0.2
163.03908	100.0
164.04237	0.8
175.07509	0.3
181.04919	0.9
238.12947	0.2
246.77235	0.2
307.08145	0.8
325.09116	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	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.43390	0.1
53.03937	0.2
57.03429	0.2
61.02913	0.6
63.02375	0.3
65.03898	0.1
67.05493	0.2
69.03432	6.9
69.07058	0.4
69.68075	1.1
79.05491	1.1
81.03428	0.5
81.07062	0.9
83.08615	0.2
85.02901	0.7
85.06533	0.3
89.03922	4.1
91.05476	0.7
93.07053	0.6
95.04973	0.4
95.08592	0.5
97.02894	1.0
98.21584	0.2
99.04423	0.3
105.04533	0.2
105.07019	0.3
107.04956	1.7
107.08569	0.4
109.02853	0.5
109.06513	0.5
109.10127	0.3
111.08070	0.2
113.05975	0.3
117.03381	7.7
117.07027	0.2
119.05791	0.2
121.06466	0.3
121.10099	0.3
123.04404	0.4
123.08062	0.2
123.11667	0.3
127.03918	3.7
131.08492	0.2
133.10091	0.2
135.04420	14.4
135.08041	0.5
135.11752	0.3
137.06010	0.3
145.02852	12.5
147.04404	0.5
149.05927	0.3
163.03906	100.0
164.04260	0.7
177.05470	2.2
181.04977	0.7
186.05597	0.2
201.05417	0.2
247.05806	0.2
289.17911	0.2
307.08063	1.6
307.19177	0.2
310.61276	0.2
325.09180	2.6
325.16043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.14437	0.2
53.02686	0.2
56.55910	0.2
56.96560	1.8
57.03427	1.0
61.02925	1.3
69.03426	2.2
69.56987	0.3
70.23286	0.6
73.02912	1.0
81.03412	0.7
85.02900	4.5
87.04469	0.5
91.03941	0.3
91.05470	0.5
97.02888	2.1
98.97582	4.3
99.04475	0.5
101.00886	0.4
105.03418	0.3
106.20212	0.2
107.04951	0.5
109.02904	0.6
110.97572	0.5
116.98635	1.3
118.06543	3.4
119.01839	0.5
123.04424	0.7
127.03944	1.3
128.02304	0.3
128.98601	0.8
129.54649	0.2
133.07610	4.4
137.02847	0.4
137.05984	0.5
143.01917	0.4
145.07605	100.0
146.08395	2.0
147.04411	0.5
147.09151	0.6
149.05975	0.2
154.04791	0.2
158.32893	0.2
158.99652	0.7
161.01234	0.3
163.08662	58.4
177.00783	0.4
179.00146	0.3
193.01715	0.4
197.01256	0.4
201.00600	0.4
204.02834	0.3
205.05589	0.3
211.02966	0.3
213.03331	0.5
216.04710	0.4
219.01787	0.9
222.04111	0.3
226.05943	0.3
229.04468	0.2
235.06563	0.9
237.02740	0.6
239.02301	0.5
243.59128	0.4
244.07074	0.2
257.03708	0.2
325.13931	81.9
326.14322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1436
Annotation	Eryvarin C
Peak:m/z	Relative Intensity
55.01898	0.8
67.05499	0.8
69.03423	2.2
71.06041	1.2
79.05489	2.1
81.03400	1.3
81.07058	2.1
85.02886	3.2
91.05498	8.8
93.07039	1.6
94.04172	1.0
95.04952	1.0
95.08617	1.2
97.02930	1.1
98.97604	1.0
99.04459	0.8
103.05477	6.6
104.06263	0.8
105.07034	2.5
107.04977	4.3
107.08613	2.0
109.02895	1.0
109.06501	1.2
115.05478	7.1
117.07039	7.3
119.08578	7.6
121.02865	5.4
122.03651	4.4
127.03958	1.6
128.06235	3.5
129.07022	7.1
131.04927	14.3
132.05748	5.6
133.06491	1.0
135.04408	3.1
135.08049	1.9
137.05988	67.6
139.03903	3.9
141.07005	12.2
145.02844	1.1
145.06479	2.9
147.06940	1.7
147.08052	20.9
151.07561	1.0
157.06476	3.0
158.07289	0.9
160.05223	4.3
161.04828	0.7
161.05974	5.0
161.09705	0.8
163.03918	11.0
163.06146	1.2
163.07547	15.1
169.06503	18.2
173.09685	1.0
173.53976	0.8
174.06767	0.9
175.07561	100.0
176.07889	0.8
181.05070	0.9
185.05923	0.9
186.06767	1.2
187.07597	0.9
187.63974	0.7
188.08340	1.5
189.09117	9.0
201.09126	9.4
205.10107	0.9
213.32112	0.9
233.09581	3.4
261.08972	2.2
265.12271	2.2
278.09479	1.1
293.11560	2.9
325.10977	3.0
325.14340	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
56.96567	1.2
57.07068	3.5
57.10635	0.8
61.02922	1.1
61.25403	0.8
62.10524	0.8
67.05486	0.8
69.03422	2.0
69.59128	1.9
69.59534	4.2
71.04996	14.9
73.06552	3.7
81.03421	1.1
83.08623	1.3
85.02911	6.9
87.08084	1.5
97.02893	1.8
98.97581	3.1
107.04967	1.6
109.10158	5.6
116.98657	1.1
124.07620	1.1
127.03918	1.3
127.11201	27.7
127.12148	1.3
131.04985	0.9
137.64380	0.9
145.04956	1.4
145.12248	100.0
163.03891	1.5
164.10738	2.3
197.39758	0.7
198.05411	0.8
237.02832	0.9
294.08368	0.8
324.08069	1.0
324.11319	3.2
325.12155	2.1
330.07950	1.0
342.09406	1.7
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
53.48737	6.8
55.01868	12.9
55.05495	11.6
56.05043	7.8
56.96560	40.4
57.03430	11.1
61.02938	10.7
63.37926	7.5
68.95084	9.0
69.03432	36.5
69.69096	24.2
69.69508	22.1
71.82153	7.3
73.02933	12.2
74.06049	10.0
79.05476	7.9
81.03421	15.7
81.07053	52.8
83.04966	7.4
84.08120	11.3
85.02917	77.7
85.06544	12.6
85.42840	8.8
86.74256	7.9
88.93752	10.8
91.05495	13.3
94.35318	7.2
95.08585	7.6
97.02898	26.5
97.06548	9.3
98.20688	9.1
98.97585	69.1
99.04470	9.3
99.08106	74.2
105.03401	43.5
105.06986	9.2
107.04974	36.8
109.02884	8.3
110.97588	11.3
116.98621	22.5
117.09116	8.6
120.08079	38.1
127.03918	27.6
127.07542	100.0
128.98596	14.1
130.94788	11.6
131.08185	12.1
145.02841	9.4
145.04950	23.6
145.08609	99.2
148.95782	15.9
158.99666	16.6
159.07733	10.4
162.02463	18.3
162.05527	80.5
162.09207	8.3
163.03928	71.1
166.08675	13.2
166.96776	8.6
168.75812	8.4
172.49252	7.2
177.00636	9.8
185.04269	26.2
186.04587	17.8
193.01723	16.4
194.78590	7.7
194.96365	30.4
203.03833	11.1
204.05464	8.1
211.02744	31.9
212.97324	28.0
219.01762	16.3
237.02878	12.0
240.07542	10.3
257.03400	12.5
301.00537	54.9
319.01584	18.1
324.07608	70.4
324.11502	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.5
57.03436	0.8
61.02920	1.2
68.22205	0.4
69.03431	2.6
69.07060	0.9
70.13900	1.9
73.02927	0.8
79.05515	0.5
81.03434	0.8
81.07051	0.5
85.02914	6.3
87.04479	0.7
97.02894	2.3
98.20726	0.5
98.97579	4.8
99.04466	0.6
105.03362	0.6
107.08581	0.6
109.02908	1.2
110.97570	0.9
116.98631	1.4
118.06495	1.2
123.04470	0.8
124.99142	0.6
127.03928	1.8
128.98593	0.8
133.07600	1.5
145.05009	2.3
145.07616	23.6
147.04356	0.6
154.03859	0.9
158.49640	0.6
158.99664	1.5
160.98851	0.7
162.02904	1.0
162.05434	0.9
163.03889	1.7
163.08675	15.2
163.10001	1.0
166.30540	0.5
170.99794	0.6
174.05475	0.7
177.00716	0.8
183.06000	1.0
185.04263	0.9
219.01703	1.0
234.57704	0.9
237.02905	0.7
307.12619	0.6
310.05325	0.7
325.08954	100.0
325.13867	20.9
326.09302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.78653	1.1
53.03933	1.0
55.01871	4.6
55.05511	7.2
56.94536	0.8
57.03156	1.5
57.03439	28.9
57.07070	2.3
65.03930	1.4
67.05507	30.2
69.03427	1.8
69.07071	5.8
69.81325	5.0
71.05001	2.5
71.08630	1.2
78.89654	1.0
79.05497	14.2
81.03418	1.2
81.07060	17.9
81.85490	0.8
83.04975	3.1
83.08631	3.8
85.06548	34.8
86.21268	0.9
87.00802	1.3
91.05494	10.2
93.07063	11.1
95.04974	35.4
95.08614	7.6
96.13432	0.8
97.06553	2.4
97.10173	2.5
98.21445	1.0
98.97598	5.1
99.04474	1.3
99.08105	1.0
105.07036	9.1
107.04964	3.2
107.08588	8.8
109.06523	31.4
109.10194	4.8
111.04453	4.1
111.08072	1.3
113.06011	100.0
117.07034	7.8
119.08591	6.7
121.06500	2.7
121.10143	4.6
123.08099	2.6
125.09705	1.1
129.07016	3.3
131.08562	7.3
133.06438	1.1
133.10152	2.6
134.16310	0.9
135.08073	22.0
135.11693	5.2
139.11125	1.3
143.08568	3.7
145.10146	6.7
147.08047	2.6
147.11719	2.5
149.09648	3.2
153.12782	1.3
157.10121	3.1
159.11732	1.9
161.09639	4.6
163.11188	3.2
165.09126	1.1
171.11707	2.1
173.13214	1.1
175.11201	1.9
177.12807	1.8
180.98021	1.0
181.12265	2.6
183.11726	1.3
185.13194	1.1
191.10753	2.0
199.14792	1.3
201.12845	1.7
217.15848	7.4
219.21109	1.5
223.13251	0.9
227.12769	2.6
232.23517	1.1
249.14935	1.1
255.17451	1.9
258.99731	2.5
273.18530	17.1
277.00870	2.4
291.19550	47.8
305.21228	5.7
323.22470	1.1
323.26093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1054
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
56.96576	0.8
58.34474	0.5
59.96694	0.6
67.05493	1.8
69.03426	1.3
69.07056	1.9
69.73921	0.8
69.74335	2.8
81.07063	1.3
82.07368	0.6
85.02892	1.8
91.05480	4.8
95.08614	0.6
98.97578	2.3
107.04951	1.2
107.08573	0.7
109.02850	0.6
109.10167	6.7
119.04928	2.0
121.02922	0.7
127.03947	1.2
127.11204	4.8
133.02887	0.8
133.05019	0.5
136.07581	0.8
137.05945	0.6
137.07941	1.0
140.98657	0.6
147.04416	7.8
152.07008	0.8
155.08948	1.0
160.07619	0.7
163.03842	1.4
167.07048	0.6
169.08333	0.7
179.03412	3.1
183.08493	0.8
219.01744	1.1
237.02910	0.8
253.28357	0.5
271.80176	0.5
309.06561	0.5
324.10522	100.0
325.10864	1.4
327.07437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79132	0.9
55.05503	3.2
57.03435	2.2
58.34944	0.9
61.02924	1.2
67.05504	9.1
68.42232	0.8
69.03442	4.4
69.07082	7.8
71.05001	7.3
71.29499	1.2
73.02915	0.9
74.06068	2.0
81.03418	3.0
81.07050	2.8
83.08621	13.2
85.02905	10.6
93.07084	0.9
93.15067	0.9
97.02870	2.6
98.20882	1.1
98.97599	1.2
99.04466	1.1
99.08095	1.5
107.04897	0.9
109.02882	1.6
109.10162	84.8
120.06584	1.3
123.19751	0.8
127.03891	2.7
127.11202	64.0
138.06256	0.9
145.12242	100.0
147.09169	1.1
163.03911	1.4
164.25937	1.0
173.07059	1.3
191.08156	12.4
219.01942	0.9
241.34972	0.9
245.10022	1.0
304.33881	1.0
307.12939	4.3
325.13956	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.4
55.05515	14.5
56.96574	4.2
57.03433	4.2
57.07073	2.9
61.74202	2.0
62.06094	2.7
65.03940	3.0
67.05503	58.8
69.03429	4.9
69.07068	18.6
71.04996	8.7
71.40484	4.6
79.05493	19.2
81.07062	51.7
83.04964	13.3
83.08612	4.1
85.02906	3.4
85.06550	13.8
91.05479	37.9
93.07054	33.3
95.04974	5.1
95.08597	17.8
97.06561	3.6
98.97613	10.5
99.04455	6.3
99.08115	3.6
105.07039	51.4
107.04982	6.9
107.08597	48.1
109.06516	9.8
109.10165	88.2
113.06009	6.0
116.98637	4.7
117.07009	4.8
119.08612	11.3
121.06532	11.9
121.10134	6.0
123.08070	3.2
123.11718	14.9
125.09607	2.9
125.70507	1.9
127.07568	4.4
131.08592	8.3
133.10138	100.0
135.08076	12.5
135.11687	2.8
137.09616	2.8
143.08598	2.9
145.10170	5.1
147.08083	3.1
149.09694	3.0
149.13339	2.5
151.09973	3.8
151.11191	77.1
161.09592	3.2
161.41461	2.3
169.12219	19.7
179.10704	2.8
190.89326	2.3
193.08670	3.8
215.12901	4.7
222.15736	3.0
233.06683	2.4
243.80791	2.5
258.99847	6.0
273.18427	9.4
277.00748	4.0
291.19556	38.1
305.21201	5.0
323.22025	5.4
323.25879	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
53.19780	3.3
53.67963	3.8
53.68872	3.5
53.83770	3.7
55.01874	12.4
55.05521	26.9
56.96571	7.4
57.03445	26.8
59.47834	3.4
65.03959	4.5
67.05508	52.1
69.03412	3.7
69.07069	22.7
71.04985	11.4
71.56545	5.2
73.06552	14.3
79.05499	49.2
81.07068	38.9
83.04964	10.5
83.08653	10.2
85.06542	7.0
91.05480	48.8
93.07047	56.2
95.04987	22.4
95.08617	29.4
97.06499	5.7
97.10184	7.9
98.97571	23.2
99.08139	4.3
101.74071	4.2
105.07032	33.4
107.04958	11.9
107.08594	38.3
109.06523	49.1
109.10156	14.6
115.89621	3.5
116.98622	7.9
117.07020	16.8
119.08576	18.9
121.06511	9.3
121.10172	20.5
123.08057	7.2
128.06248	5.0
129.07001	13.6
130.07733	5.5
131.08592	28.8
133.06534	4.8
133.10126	13.3
135.08047	43.9
135.11678	10.2
137.06021	5.0
137.09644	8.2
138.00763	3.9
143.08578	15.5
145.10153	24.9
147.08051	9.4
147.11644	6.5
149.09615	16.8
157.10129	13.2
159.11685	6.1
161.09645	20.0
163.11133	6.6
171.11606	9.1
173.13155	5.5
175.11140	5.7
177.12679	5.3
199.14827	8.1
217.15901	27.4
227.18027	5.5
237.16159	5.0
245.19099	5.7
255.17407	5.5
258.99771	11.3
273.18472	42.9
277.00800	11.8
291.19562	100.0
305.17996	4.5
305.21149	15.4
305.24445	4.8
323.18558	5.2
323.22168	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.3
55.01858	13.3
55.05302	4.9
55.05515	41.9
56.96572	4.3
57.03439	7.4
57.07066	7.6
58.30734	3.9
64.15040	4.3
67.05189	5.1
67.05511	80.9
69.03408	7.0
69.07075	29.2
69.22375	12.0
69.22779	28.1
71.04999	8.4
71.08628	7.6
79.05496	51.7
81.03424	5.2
81.07063	100.0
83.04993	49.0
83.08608	18.7
85.06561	6.2
91.05483	62.6
93.07044	66.9
95.04982	8.9
95.08612	52.6
97.02869	5.4
97.06522	8.8
97.10146	5.5
98.97573	14.4
99.08058	8.1
105.07027	49.7
107.04932	14.9
107.08606	53.6
109.06506	15.7
109.10155	63.2
111.04433	8.7
111.08070	14.2
115.29312	4.6
116.98637	4.3
117.07016	8.4
117.37751	4.2
119.08560	24.1
121.06519	14.3
121.10157	21.4
123.08067	7.6
123.11700	14.3
129.06998	5.6
130.07724	5.1
131.08585	23.3
133.06499	12.4
133.10144	89.1
135.08054	9.6
135.11688	11.7
137.05899	7.4
137.09618	5.3
139.07513	5.8
143.08607	7.3
145.10109	13.8
147.08008	6.7
147.11693	13.7
149.09596	13.2
151.11180	75.7
157.10106	6.6
159.11691	5.5
161.09586	10.9
171.11661	6.2
173.09601	4.7
175.11171	8.4
177.09111	12.5
179.10631	13.1
183.13794	29.4
245.19069	12.9
255.17372	5.4
258.99759	6.2
263.20102	15.1
273.18549	28.7
277.00888	11.5
291.19528	47.4
296.12012	5.2
305.21255	24.6
305.24185	5.9
323.22101	43.3
323.25809	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
54.53290	0.6
55.01882	3.6
55.05516	20.1
57.03421	0.9
57.07078	0.7
59.04995	0.8
62.06091	17.3
63.06416	1.5
65.03948	0.7
67.05508	14.6
68.05857	0.8
69.03432	4.9
69.07073	14.8
70.58902	1.6
79.05069	1.1
79.05496	13.6
81.03429	2.7
81.06593	0.8
81.07059	14.0
82.07385	1.2
83.04971	2.1
83.08628	9.1
85.06525	0.8
91.05479	7.9
93.07046	11.9
94.04133	0.6
95.04963	3.4
95.08609	9.5
96.08855	0.8
97.02885	3.6
97.06538	1.4
97.10181	14.9
98.97568	1.4
105.07040	6.2
107.04970	3.9
107.08591	10.3
107.67049	0.6
109.06513	1.7
109.10174	4.7
111.04496	0.6
111.08119	1.3
116.98676	1.0
117.07035	3.6
119.04982	1.4
119.08595	7.1
121.06520	2.0
121.10162	4.0
123.08062	2.6
123.11720	1.2
125.09635	14.4
128.06238	0.6
129.07005	2.5
131.08557	4.8
133.06476	2.3
133.10132	2.2
134.07289	0.7
135.08086	3.9
135.11694	2.0
136.79510	0.6
137.09613	1.3
141.07022	0.6
143.08519	1.7
145.10088	3.5
147.08046	2.8
147.11681	2.6
149.09549	1.2
149.13321	0.8
153.09125	2.2
153.67465	0.6
157.10155	0.9
157.12251	1.2
159.11691	2.0
161.09654	1.5
161.13203	0.8
162.10411	1.2
163.11226	1.2
164.92178	0.8
165.09149	1.4
171.11676	1.5
175.11211	2.3
177.12737	0.9
185.13176	0.7
197.73167	0.6
203.12766	7.7
203.14540	0.8
205.12209	0.7
223.13281	13.1
227.17996	0.6
237.14890	1.6
244.65738	0.5
245.18939	1.6
255.17444	1.2
255.70160	0.6
258.99557	0.8
262.22464	0.7
263.20123	1.2
273.18546	7.7
277.00717	1.5
291.19550	100.0
292.19833	0.9
300.02621	0.7
305.21130	18.1
305.24609	1.0
306.89285	0.6
323.22168	3.0
323.27731	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15060	2.8
53.03943	5.9
54.55222	3.3
55.01865	17.1
55.05507	41.3
57.03434	9.8
57.07069	6.5
59.04997	3.9
60.91222	3.2
63.26711	3.0
67.05502	85.4
69.03428	10.3
69.07075	35.7
71.04987	7.9
79.05058	6.0
79.05489	61.3
81.03403	6.2
81.07052	100.0
83.01331	3.8
83.04974	39.5
83.08612	22.2
84.35027	3.1
85.06537	9.9
87.50875	3.5
91.05476	61.0
93.06480	5.4
93.07043	80.1
95.04972	19.8
95.08609	53.4
97.06535	13.3
97.10169	8.7
98.21528	9.1
98.97562	7.7
99.04406	4.2
105.07035	65.2
107.04940	16.0
107.08598	52.3
108.36210	3.8
109.06519	15.5
109.10154	63.2
109.10844	5.8
111.04444	12.6
111.08077	14.9
116.98583	4.9
117.07014	9.7
119.08588	28.2
121.06528	18.7
121.10134	28.0
123.04478	6.8
123.08099	13.8
123.11694	21.1
125.06008	4.7
129.07013	8.3
131.08585	21.8
133.06494	16.4
133.10132	92.2
135.08046	12.9
135.11679	18.5
136.26677	3.4
137.05981	5.0
137.09619	8.9
139.07545	14.6
143.08589	8.9
145.10147	15.5
147.08046	11.7
147.11707	14.9
149.09636	16.4
149.13237	5.8
151.11185	81.6
153.12804	4.0
157.10072	7.3
159.08064	5.6
159.11681	7.1
161.09625	20.0
161.13277	5.6
163.11107	7.5
171.11739	10.6
175.11197	7.5
177.09122	10.7
179.10632	19.8
183.13817	31.0
185.13223	4.3
186.87700	3.6
189.12816	7.2
196.53111	3.5
203.14305	9.5
207.13785	5.5
209.11716	3.6
213.12794	3.7
217.12305	3.8
223.13264	4.5
229.14395	4.0
245.18996	19.5
255.17429	3.4
258.99768	5.4
263.20105	21.8
273.18503	49.5
277.00928	3.8
291.19553	96.1
305.21170	14.1
323.22125	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01871	6.2
55.05516	8.0
55.12666	1.0
56.96555	4.2
57.03435	9.7
57.07058	2.1
58.99598	1.6
59.04992	2.9
60.45839	1.2
61.02926	18.7
67.05501	9.4
69.03432	48.3
69.07073	14.3
71.05006	6.3
71.54814	1.9
73.02925	7.2
78.04642	1.0
79.05496	8.8
80.29889	1.2
81.03423	19.3
81.07058	27.8
83.01340	1.7
83.04985	4.1
83.08626	2.5
84.96038	1.5
85.02907	100.0
85.06572	2.7
87.04478	10.7
91.03957	7.2
91.05480	12.1
93.07044	18.7
95.04967	7.8
95.08613	15.9
97.02292	2.0
97.02898	33.7
97.06522	3.5
97.10165	2.2
98.97590	8.5
99.04465	10.2
99.08086	2.3
103.03933	1.7
105.07033	34.0
107.04956	5.2
107.08589	10.8
109.02890	14.9
109.06521	3.3
109.10155	10.4
111.04440	2.0
111.08078	2.6
111.11699	1.5
115.03968	1.3
116.98610	2.7
117.07010	5.8
119.08586	12.9
121.06506	2.7
121.10151	8.8
123.08070	4.2
123.11698	9.3
125.09608	2.4
127.03923	27.3
129.07013	3.6
131.04916	2.9
131.08577	12.0
133.04919	1.4
133.10118	14.9
135.04387	2.1
135.08089	1.7
135.11664	5.9
137.05981	15.9
137.09560	2.8
137.13281	1.8
139.11174	2.6
142.07848	1.6
143.08577	5.7
144.09325	4.0
145.02913	2.4
145.04962	24.2
145.10152	7.3
147.04399	3.0
147.07907	1.0
147.11676	4.7
148.04842	1.3
149.06116	1.8
149.09616	1.5
149.13249	4.3
151.07574	6.4
151.11143	3.8
153.01810	1.4
153.12816	1.6
155.08534	3.3
157.10130	5.9
159.11703	55.9
161.05997	6.4
161.09612	3.9
161.13263	76.4
163.11261	2.1
163.14838	1.9
167.10674	1.9
171.07951	2.0
171.11668	4.0
173.13269	9.9
175.07571	3.3
175.14781	2.1
177.00763	1.6
177.05479	5.6
177.12730	2.5
179.07043	3.5
183.11707	1.8
185.13235	5.8
187.11150	1.2
187.14859	1.2
189.12746	4.3
191.14351	1.8
197.13245	3.3
199.07550	2.2
199.14847	2.8
203.08676	1.8
203.14384	5.7
215.14395	2.0
219.13814	3.4
223.14948	1.4
227.14281	2.0
231.08064	2.8
233.13174	1.5
239.06332	1.3
245.08038	1.3
248.08369	1.8
259.07468	2.6
263.10620	1.7
266.83438	1.3
269.15134	1.7
269.22580	1.5
287.16470	3.4
287.23798	1.6
291.10043	4.8
305.09921	1.6
305.17496	5.2
305.21008	1.5
305.24716	5.2
323.12885	7.3
323.18536	69.3
323.25931	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	323.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01840	2.2
55.05280	2.5
55.05516	33.5
56.96559	5.7
57.03428	6.1
57.07082	12.9
59.04999	3.5
65.03935	3.7
67.05514	41.6
69.03436	12.7
69.07072	100.0
69.46429	9.3
69.46838	4.3
71.04993	10.9
73.02917	2.8
79.05496	24.5
81.03409	5.9
81.07061	69.4
82.73029	2.0
83.04999	9.4
83.08624	37.9
84.96010	2.4
85.02919	10.5
85.06533	7.2
91.05492	19.2
93.07051	35.6
95.04987	14.0
95.08611	43.5
97.02888	5.6
97.06525	14.0
97.10178	19.2
98.97594	19.1
99.04473	4.4
99.08105	3.6
101.06002	4.8
102.41975	1.7
103.05471	5.7
105.03315	2.2
105.06397	2.9
105.07040	39.4
107.04936	6.7
107.08604	43.5
109.02882	5.0
109.06544	13.0
109.10166	46.7
111.04455	2.9
111.08076	10.9
111.11732	3.4
115.05445	2.1
116.98615	4.3
117.07008	4.2
118.97456	1.6
119.01777	2.2
119.04911	2.8
119.08584	18.3
121.06487	5.3
121.10147	28.7
123.08083	7.5
123.11718	29.6
125.09586	10.1
125.13287	5.4
127.03916	3.8
127.07563	1.7
127.11131	2.1
129.07002	3.1
131.04926	5.1
131.08545	8.0
133.10143	29.5
135.08080	5.7
135.11696	14.1
137.05989	31.9
137.09601	6.5
137.13229	6.1
139.11166	5.1
141.06950	2.1
143.10698	2.9
143.14326	37.3
145.04956	3.3
145.10136	5.8
147.04410	10.9
147.11716	10.4
148.04805	3.1
149.09573	4.6
149.13245	7.7
151.07552	11.5
151.11177	5.0
151.14861	2.0
153.09109	3.3
153.12758	2.1
155.10641	3.6
158.99654	5.1
159.11694	6.7
161.05957	12.0
161.09604	7.6
161.13277	6.7
163.07532	2.7
163.11188	3.1
163.14812	4.6
165.12747	8.9
166.08636	2.5
167.10667	3.1
171.10289	2.6
171.11691	2.6
173.13223	3.7
174.59299	1.7
175.07509	4.5
175.14836	2.7
177.00751	4.5
177.05504	4.4
177.12798	3.2
179.06989	2.6
179.14330	13.3
185.13229	2.8
187.14839	3.6
189.09200	2.8
189.16350	3.8
199.07591	2.8
202.07753	2.3
203.08649	2.9
205.15984	2.3
213.16368	3.0
217.08678	3.0
231.08067	6.9
232.08658	2.1
233.09344	4.2
242.09914	3.0
248.08394	3.5
259.07584	5.0
260.08218	2.6
263.10657	7.9
269.22574	2.8
276.07874	3.6
287.16525	2.3
287.20041	1.8
287.23563	3.8
291.10147	14.2
305.24753	13.2
323.09335	5.2
323.12561	18.7
323.18542	5.9
323.22049	4.9
323.25824	90.2
326.18805	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59887	0.5
53.03965	0.6
54.40940	0.7
55.01878	1.7
55.05525	0.8
55.21807	0.5
56.96572	0.9
67.05506	1.1
69.03419	1.4
69.07058	0.9
70.06591	2.2
71.04998	1.3
71.54381	0.6
71.68616	0.5
73.02892	0.6
79.05492	1.9
81.07052	1.9
83.05006	0.9
84.08107	0.8
85.02913	1.8
86.09696	1.0
91.05477	1.4
93.07047	1.7
95.05001	1.3
95.08604	1.1
96.04523	1.4
97.02868	0.9
97.06560	0.9
97.10175	0.5
98.06071	1.5
98.97586	1.2
100.68279	0.5
103.05479	0.6
105.07072	2.6
106.06571	0.7
107.04960	1.4
107.08604	2.0
110.06063	0.6
115.84792	0.5
116.07095	0.9
119.08591	0.7
120.08102	1.2
121.06499	0.8
121.10172	0.9
123.04449	1.0
123.08088	0.6
124.03974	0.9
127.03923	0.7
129.07037	1.3
130.06519	1.3
131.08627	1.5
132.06847	0.5
132.08118	0.6
133.07622	1.0
134.06006	0.9
135.08093	0.6
137.06007	1.4
139.03880	1.1
143.10719	0.8
144.08119	1.4
146.06030	0.7
146.09633	3.0
147.04514	1.0
147.05591	1.0
147.09177	1.4
148.06552	0.5
148.07608	2.1
149.03488	0.6
149.09628	1.4
151.05127	0.7
156.08131	1.5
158.06021	1.0
160.06430	0.9
160.07642	2.3
161.05980	0.9
161.07111	2.9
161.10793	1.8
162.05531	0.6
162.07906	1.2
162.09155	0.7
163.08727	1.4
166.05087	0.8
167.10675	1.1
171.09151	0.6
172.07596	4.6
174.07875	0.9
174.09184	5.4
175.08676	13.4
176.07086	6.0
176.09372	3.5
177.05386	0.5
177.10252	0.7
186.05542	1.1
188.05736	1.0
189.06635	1.7
189.10252	7.9
190.08633	9.3
191.08212	1.4
191.11908	0.8
194.08246	0.7
199.08775	1.7
200.07092	3.7
201.10262	1.5
202.08832	2.7
203.08167	22.6
204.06459	1.1
205.09824	1.0
207.11380	2.9
217.06412	0.9
217.09731	23.0
218.08194	2.0
219.01724	0.9
227.08223	1.3
228.06609	1.1
229.09769	2.0
231.07999	0.7
235.10764	7.5
245.09248	18.7
246.07631	2.3
247.10793	2.5
263.10284	65.4
273.08728	5.6
291.09750	18.2
305.11441	1.6
307.60849	0.5
323.12411	100.0
324.12775	1.1
339.74048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03943	1.2
55.01075	1.1
55.01875	1.5
55.05515	2.1
57.03433	1.3
57.07078	5.7
65.03941	1.2
67.05511	5.1
69.03422	3.6
69.07055	4.2
70.27236	3.0
70.27619	1.9
71.04979	1.7
79.05484	7.1
81.03403	2.3
81.07056	13.0
83.04961	1.6
83.08626	1.1
85.02905	4.8
85.06528	3.0
91.05480	5.4
93.07054	6.0
94.04186	3.2
94.04747	1.2
95.04984	2.2
95.08607	6.6
97.02896	1.2
97.06561	1.3
98.97594	3.0
100.11255	1.1
103.05473	3.0
103.07596	1.8
105.07047	11.5
106.84899	1.0
107.04973	1.8
107.08587	4.8
109.02879	3.2
109.06524	5.4
109.10172	5.5
111.08069	1.9
115.05470	4.5
116.98551	1.3
117.03408	1.4
117.07031	2.1
119.08591	2.1
121.10147	4.6
122.03637	7.9
123.04394	1.4
123.08083	1.3
123.11688	3.1
124.07594	1.5
127.03873	2.3
128.06242	3.3
129.06969	1.3
131.04939	1.8
131.08575	1.5
133.06480	6.7
133.10135	3.2
135.08017	1.1
135.11731	1.5
137.05981	100.0
139.11127	1.7
145.02855	1.1
145.06523	1.8
146.03610	5.8
147.04401	2.0
147.08055	1.4
147.11659	1.5
149.05986	2.3
149.09656	1.4
149.13287	1.6
151.07545	4.4
151.11212	1.2
153.12688	1.2
156.05786	1.2
157.10146	1.4
159.11687	1.2
161.05992	62.5
161.13225	1.2
163.07498	1.2
165.07018	1.3
167.07024	2.7
171.08032	2.8
173.05937	1.5
173.13176	1.6
175.07523	3.2
179.07120	1.8
184.05194	3.9
187.07614	1.3
191.08513	2.1
192.09344	1.7
199.07564	32.5
202.07773	14.9
203.08563	30.9
203.10432	2.0
205.06485	2.5
213.07144	1.1
215.08525	1.4
219.01683	1.4
219.08084	9.0
220.08844	8.1
221.09662	1.4
226.90048	1.0
230.07251	2.1
231.08058	41.5
232.08775	7.3
235.07530	1.9
235.11240	2.4
237.09000	1.9
245.09615	1.8
247.07664	5.2
247.11766	2.5
248.08365	20.2
249.09131	2.5
258.06851	2.6
259.07538	30.4
260.08334	13.8
260.12729	1.4
262.09814	1.3
263.10681	26.8
263.13315	2.0
264.11154	1.0
265.08557	2.8
273.09113	1.6
275.07022	2.3
275.10352	1.2
276.07840	14.9
277.08585	7.5
279.10028	1.4
280.11063	1.3
280.37088	1.1
287.23682	1.2
291.10150	61.3
292.10904	14.3
293.08075	4.5
295.13208	5.8
305.24585	2.1
308.10388	6.1
323.12775	83.0
323.25815	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	323.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	36.7
57.03437	1.3
68.22578	1.0
69.03439	6.1
69.03757	1.1
69.91763	5.2
70.98124	14.5
71.95246	2.9
73.02919	1.9
74.97607	2.8
81.03414	3.0
81.52148	0.9
84.96049	6.0
84.96452	1.1
84.99608	1.4
85.02904	8.2
86.97578	3.5
87.04498	1.1
88.99141	2.7
97.02892	4.6
98.97587	100.0
99.04478	2.4
100.99143	2.1
103.00629	6.9
109.02914	1.7
110.97575	14.9
111.61788	1.1
112.99147	7.4
114.97068	8.3
115.00682	2.8
116.97826	1.8
116.98619	24.4
117.02163	2.9
119.01878	1.6
121.01662	7.3
124.95484	6.5
124.99094	2.3
126.97015	2.3
127.00700	1.4
127.03922	3.5
128.98592	13.0
130.08655	2.1
131.00151	3.2
132.98088	9.6
133.01678	3.8
133.03461	1.5
134.99654	3.1
135.03178	2.7
140.72508	0.9
140.98569	3.1
142.96506	3.1
143.00162	4.6
143.01898	1.7
144.98079	3.2
145.01601	2.2
145.04970	2.3
146.99641	6.4
149.01224	1.7
150.99107	5.7
152.04994	3.0
152.94940	2.7
152.98579	2.9
154.96495	1.7
156.98096	2.4
158.99675	13.7
161.01234	5.9
161.05679	1.5
161.10167	1.1
163.02716	3.2
165.00681	1.8
169.04326	1.0
170.96046	11.1
170.99522	5.9
171.04985	1.1
172.97604	3.2
173.01224	3.5
173.04805	1.5
174.99164	11.0
175.02675	2.5
177.00708	8.1
179.02266	2.2
184.97551	7.1
186.99167	2.4
188.97073	13.4
189.00703	8.0
190.98663	1.9
191.02222	3.2
193.00226	17.5
193.03738	0.9
201.00714	6.5
202.98631	12.8
203.02231	3.8
203.03963	1.4
205.00230	1.7
206.98164	3.1
207.01797	2.4
211.01228	2.8
212.97073	3.8
214.98555	1.6
217.00185	6.5
219.01759	22.6
220.05923	1.9
220.99713	11.7
221.03116	2.1
223.04852	1.9
230.98109	15.8
231.01819	2.7
232.99689	1.5
233.07431	2.3
235.01213	2.8
235.04884	2.6
237.02843	18.8
239.00720	4.0
242.07518	1.1
244.99678	12.2
248.99185	7.3
249.02849	7.5
258.99750	1.5
263.00739	21.7
263.04349	16.6
263.07907	2.7
267.03809	1.5
277.00793	1.7
281.01831	14.6
281.05417	43.4
281.08694	2.8
291.03906	1.5
299.02783	3.0
303.09186	2.6
305.01840	2.4
305.05276	1.3
323.02975	1.5
323.06445	22.6
323.10107	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	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05384	1.1
52.24850	0.9
55.01866	1.2
57.03432	2.3
61.02922	4.1
63.25853	0.9
66.88335	0.9
69.03433	8.6
70.72912	1.9
71.04984	1.5
73.02938	1.2
81.03407	3.4
85.02426	1.8
85.02907	17.4
87.04451	1.9
91.03926	1.5
97.02901	5.7
99.04495	1.0
109.02898	2.3
113.81727	1.0
122.50288	0.9
127.03913	3.8
133.84120	1.0
143.00999	2.3
145.04997	1.2
147.04427	1.9
161.02112	39.0
162.05603	1.4
179.50720	0.9
185.04222	67.2
187.03864	1.1
197.03114	1.4
203.05272	19.3
217.09897	1.3
251.04321	1.0
263.10330	3.1
291.09723	1.6
323.07401	100.0
323.11475	4.9
324.07578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03338	2.6
69.52831	12.5
69.53239	4.1
93.53715	2.2
98.72784	2.1
98.97586	2.5
143.01881	4.2
161.02904	3.0
179.71094	2.2
236.22069	2.5
311.83542	2.2
323.07404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01867	1.5
55.05501	0.7
56.96555	1.0
57.03432	0.9
67.05499	1.7
69.03413	1.7
69.07064	0.8
70.02808	1.6
70.06593	1.4
71.05004	1.0
72.08139	1.0
73.63463	0.5
79.05485	1.6
81.03404	1.1
81.07060	2.8
84.08137	0.7
85.02891	2.5
85.06535	0.8
86.09698	0.9
87.04456	0.6
91.05471	1.2
93.07074	1.2
95.04948	1.1
95.08601	0.7
96.04502	0.8
97.02864	1.4
97.06532	1.3
98.06060	1.2
98.97581	2.6
103.05479	0.5
105.03407	0.6
105.07020	1.1
107.04925	1.4
107.08606	0.7
109.06535	0.7
115.05415	0.6
116.98638	1.3
117.03356	0.8
119.08582	0.7
120.08051	0.8
121.10126	0.8
122.06051	0.8
123.04443	1.1
123.08094	0.7
123.86780	0.5
124.03889	0.9
127.07548	1.5
129.07028	1.1
130.06490	0.7
131.08562	0.9
133.07547	0.7
134.06032	0.9
135.04382	0.8
137.05995	0.9
139.03922	1.0
144.08032	1.5
145.08595	1.0
146.05977	0.9
146.09633	3.1
147.04497	1.1
147.05557	1.1
147.09190	2.4
148.03900	0.8
148.06465	1.0
148.07579	4.0
149.03473	1.0
149.09628	1.0
150.05484	0.6
151.05078	0.7
156.06609	0.8
156.08107	0.9
158.05978	0.9
158.99658	0.7
160.07550	2.4
161.05908	1.0
161.07066	5.3
161.10693	1.7
162.07881	1.0
163.03983	3.3
163.08685	1.4
166.05003	1.4
166.08755	0.5
167.10707	0.6
168.06511	0.9
171.09254	0.9
172.07574	3.9
174.07838	0.7
174.09169	6.6
175.08693	15.2
176.07079	7.1
176.09477	3.4
176.10721	0.7
177.00661	0.6
184.07573	0.8
185.04254	1.4
186.05545	0.8
188.05798	0.7
189.06615	1.3
189.10248	9.5
190.08615	8.1
191.08163	1.4
191.11807	1.0
192.10121	1.1
193.09875	0.7
194.08118	0.8
199.08633	2.2
200.07007	4.2
201.10257	0.8
202.08844	3.2
203.08165	23.9
204.06662	0.8
204.08910	0.9
205.09792	0.8
207.11288	3.3
215.07922	0.6
217.06445	1.0
217.09734	23.3
218.08116	3.5
219.01755	0.8
220.09833	0.7
227.08119	1.3
228.06615	1.1
229.09683	1.1
231.07805	0.8
235.10803	8.0
242.08090	0.6
245.09238	20.0
246.07646	2.0
247.10788	3.4
263.10281	69.6
264.10754	0.9
273.08707	5.5
291.09778	19.2
291.13065	1.1
291.19406	0.9
296.03174	0.6
305.11276	1.1
323.12366	100.0
324.12936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	36.7
57.03437	1.3
68.22578	1.0
69.03439	6.1
69.03757	1.1
69.91763	5.2
70.98124	14.5
71.95246	2.9
73.02919	1.9
74.97607	2.8
81.03414	3.0
81.52148	0.9
84.96049	6.0
84.96452	1.1
84.99608	1.4
85.02904	8.2
86.97578	3.5
87.04498	1.1
88.99141	2.7
97.02892	4.6
98.97587	100.0
99.04478	2.4
100.99143	2.1
103.00629	6.9
109.02914	1.7
110.97575	14.9
111.61788	1.1
112.99147	7.4
114.97068	8.3
115.00682	2.8
116.97826	1.8
116.98619	24.4
117.02163	2.9
119.01878	1.6
121.01662	7.3
124.95484	6.5
124.99094	2.3
126.97015	2.3
127.00700	1.4
127.03922	3.5
128.98592	13.0
130.08655	2.1
131.00151	3.2
132.98088	9.6
133.01678	3.8
133.03461	1.5
134.99654	3.1
135.03178	2.7
140.72508	0.9
140.98569	3.1
142.96506	3.1
143.00162	4.6
143.01898	1.7
144.98079	3.2
145.01601	2.2
145.04970	2.3
146.99641	6.4
149.01224	1.7
150.99107	5.7
152.04994	3.0
152.94940	2.7
152.98579	2.9
154.96495	1.7
156.98096	2.4
158.99675	13.7
161.01234	5.9
161.05679	1.5
161.10167	1.1
163.02716	3.2
165.00681	1.8
169.04326	1.0
170.96046	11.1
170.99522	5.9
171.04985	1.1
172.97604	3.2
173.01224	3.5
173.04805	1.5
174.99164	11.0
175.02675	2.5
177.00708	8.1
179.02266	2.2
184.97551	7.1
186.99167	2.4
188.97073	13.4
189.00703	8.0
190.98663	1.9
191.02222	3.2
193.00226	17.5
193.03738	0.9
201.00714	6.5
202.98631	12.8
203.02231	3.8
203.03963	1.4
205.00230	1.7
206.98164	3.1
207.01797	2.4
211.01228	2.8
212.97073	3.8
214.98555	1.6
217.00185	6.5
219.01759	22.6
220.05923	1.9
220.99713	11.7
221.03116	2.1
223.04852	1.9
230.98109	15.8
231.01819	2.7
232.99689	1.5
233.07431	2.3
235.01213	2.8
235.04884	2.6
237.02843	18.8
239.00720	4.0
242.07518	1.1
244.99678	12.2
248.99185	7.3
249.02849	7.5
258.99750	1.5
263.00739	21.7
263.04349	16.6
263.07907	2.7
267.03809	1.5
277.00793	1.7
281.01831	14.6
281.05417	43.4
281.08694	2.8
291.03906	1.5
299.02783	3.0
303.09186	2.6
305.01840	2.4
305.05276	1.3
323.02975	1.5
323.06445	22.6
323.10107	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	322.2742
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05510	3.9
57.07076	0.7
60.04508	0.7
62.06092	100.0
64.85841	0.4
65.03937	0.6
67.05508	15.0
69.07068	3.7
69.29784	2.5
69.30193	0.7
70.10554	0.4
71.04986	0.5
73.01778	0.4
79.05499	8.9
81.07057	14.0
81.07532	0.8
83.08634	1.6
86.97189	0.4
88.98648	0.4
91.05498	4.2
93.07048	10.8
95.04975	0.6
95.08615	10.8
97.06549	1.0
97.10204	1.6
97.42340	0.4
98.06084	0.7
105.07025	2.6
107.08598	6.3
107.09189	0.5
109.10155	4.8
111.08079	0.6
117.07070	1.0
119.08586	2.4
121.10155	5.4
123.11742	1.8
124.78214	0.5
125.09708	0.6
131.08575	2.1
133.10181	1.7
135.11717	3.2
137.13264	1.0
144.10211	0.7
145.10161	2.0
147.11751	1.5
149.13275	2.5
151.00789	0.4
151.14903	0.7
158.11812	0.7
159.11734	1.0
161.13309	1.4
163.14885	1.4
172.13387	0.8
173.13268	0.9
175.14893	0.6
177.16499	1.3
186.15033	0.7
187.14806	0.6
200.16527	1.0
214.18050	1.1
233.22713	0.5
238.03607	0.5
243.21246	1.9
261.22189	3.7
281.07394	0.5
291.19693	1.3
304.26294	3.4
305.24994	1.1
322.27438	12.6
342.51746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.9
56.96556	6.4
57.07076	3.1
58.41593	2.7
62.06094	100.0
67.05508	24.8
69.07066	7.0
78.48956	2.0
79.05501	13.5
81.07055	17.5
83.08647	3.3
91.05474	6.9
93.07054	17.8
95.08617	20.2
97.06528	2.7
98.97575	4.9
99.04455	2.7
105.07029	5.8
107.08600	9.1
108.30357	2.6
109.10170	10.1
116.24007	2.1
117.07043	2.9
119.08560	2.7
121.10166	8.4
123.11717	4.3
130.08646	2.3
131.08606	3.9
133.10167	3.4
135.11682	6.9
140.03749	6.5
149.13263	4.9
177.16382	4.7
229.07425	9.1
243.21048	4.4
247.08463	3.6
258.99774	2.3
261.22198	6.0
270.10794	3.2
292.16086	2.7
305.24667	3.7
322.24008	5.1
322.27423	15.6
334.13824	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	322.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83699	1.0
53.03939	1.3
53.10458	0.8
55.05508	1.7
56.10331	0.7
57.03436	1.3
65.03942	3.9
67.05499	6.9
69.03423	2.0
69.07059	2.6
70.06590	2.4
70.17932	0.7
71.56310	1.0
74.06128	0.8
79.05493	48.6
81.03427	1.0
81.07054	100.0
83.04984	0.8
84.04465	0.7
85.02914	3.4
91.05481	25.4
95.04966	2.0
95.08601	2.1
95.52771	0.7
97.02901	1.7
98.97565	0.7
105.07030	13.2
107.08594	78.5
108.46481	0.8
109.06509	5.4
109.10149	7.9
111.39036	0.7
119.06102	3.8
125.09629	31.6
127.03846	1.0
133.04932	1.1
137.05978	1.2
139.03879	0.8
140.04289	1.3
142.06541	3.8
150.02695	1.0
153.01801	1.4
154.02191	1.1
160.07582	5.7
164.04477	0.8
191.91534	0.8
248.06255	1.2
276.05829	1.8
322.09006	2.7
322.12680	1.4
323.11328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79379	1.0
54.94503	1.0
55.05516	5.2
56.96558	4.2
57.03431	1.5
57.07073	1.8
60.04528	1.6
61.02900	1.3
62.06093	100.0
67.05511	15.0
69.07070	3.4
69.72876	3.4
69.73283	2.2
71.04993	1.0
79.05508	11.0
81.07059	18.8
83.08613	1.9
85.02914	1.4
85.06573	1.3
86.19832	0.9
91.05479	6.4
93.07047	13.3
95.05010	1.4
95.05614	1.0
95.08613	13.1
97.02853	1.1
97.06486	1.5
98.97580	3.0
99.03156	1.1
99.04469	1.1
105.07024	4.8
107.08594	10.4
109.10159	7.0
113.09660	1.2
119.08579	1.9
121.10150	7.2
123.11695	2.2
131.08565	4.8
133.10152	2.3
135.11708	4.0
137.09605	1.1
140.03784	1.7
145.10074	1.9
147.11641	1.6
149.13249	3.2
152.90329	1.0
155.10696	1.0
159.11639	1.6
163.14763	1.8
172.13354	2.1
173.13290	1.9
177.12813	1.2
177.16388	2.3
199.06404	1.2
213.08041	1.3
229.07484	4.8
230.07874	2.3
240.19666	2.1
243.21140	6.4
247.08530	3.9
248.08965	1.0
261.22134	7.3
269.10583	2.4
270.10883	2.2
270.17630	1.3
304.26443	2.3
322.23749	1.6
322.27396	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	322.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01865	0.6
55.05504	0.3
57.03445	1.0
57.66810	0.2
59.04999	0.3
61.02928	2.2
61.44132	0.2
67.05505	0.3
68.99802	0.2
69.03432	6.0
70.06570	0.4
70.09372	0.2
70.67712	0.6
71.04995	0.7
71.69729	0.2
73.02912	0.9
75.12479	0.2
79.05478	0.8
81.03418	2.3
81.07063	0.8
83.01358	0.3
83.04976	0.5
85.02905	11.4
87.04475	1.1
91.03947	0.8
91.05482	0.4
94.14712	0.2
95.08633	0.2
97.02894	4.4
99.04466	0.9
105.07029	0.3
107.08596	4.0
109.02878	1.4
111.04434	0.2
114.05514	0.3
115.05447	1.5
121.02848	0.3
122.03222	0.3
122.87897	0.2
125.09634	7.8
127.03910	3.1
128.04207	0.3
139.03902	0.7
140.04239	0.8
142.06519	11.9
143.10646	1.6
145.04961	1.6
149.02344	0.8
150.02699	0.8
153.01820	1.5
154.02161	1.9
160.07579	100.0
161.07921	0.7
167.03307	0.3
193.81322	0.2
195.02980	0.4
196.03282	0.5
202.05774	0.3
220.03412	0.2
230.05319	0.6
247.05872	0.2
248.06345	0.8
276.05835	1.8
304.05307	0.8
322.06448	0.4
322.09912	0.6
322.12848	12.1
326.86523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1287
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03938	1.9
54.10590	0.7
54.10890	0.7
56.96554	3.5
57.03423	3.1
61.02937	3.7
65.56526	0.7
69.03426	10.6
69.07080	0.8
70.06597	1.2
71.04994	1.9
72.08147	0.7
73.02910	3.0
79.05479	1.7
81.03410	2.7
81.07052	1.0
83.95133	0.8
85.02911	13.9
87.04483	4.2
91.03955	1.0
95.04961	1.1
97.02893	7.5
98.00644	0.8
98.97584	3.4
99.04458	1.6
100.07627	1.1
101.02393	1.3
105.03360	3.0
107.04957	2.3
109.02866	2.9
110.97538	1.6
111.04457	0.9
112.04764	1.3
112.99200	0.8
115.05466	2.8
116.98603	1.6
117.05781	1.1
117.07012	1.1
118.06549	1.1
122.03223	0.8
122.10857	0.8
123.04427	1.5
125.05998	1.4
127.03907	3.2
129.00056	2.6
130.06523	1.9
132.08107	5.1
133.57278	0.8
139.03937	4.1
140.04221	2.1
142.03207	3.6
142.06520	27.7
143.07288	8.7
144.08084	14.0
147.04369	1.4
149.02353	3.0
150.02672	3.3
153.01840	6.1
154.02145	3.7
155.06032	0.9
158.06012	2.8
159.06821	0.9
160.04321	4.6
160.07581	76.5
163.03865	1.5
168.03783	1.5
184.04886	1.1
196.03293	1.5
201.02238	1.7
202.08702	1.3
219.01611	0.9
220.03270	1.0
230.05315	2.2
237.02815	1.0
248.06325	2.2
276.05887	5.5
304.05328	2.4
304.11755	1.3
322.12848	100.0
323.07355	1.2
323.13043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92378	0.8
53.03947	2.7
55.01887	4.6
55.05511	3.7
57.03444	5.8
65.03954	1.4
67.05507	6.4
67.48221	0.9
69.03433	8.0
69.07067	4.7
69.45642	6.9
71.01357	1.2
71.05002	2.2
73.02920	1.7
79.05499	26.1
81.03441	2.7
81.07059	35.1
82.19508	0.9
83.04990	2.8
85.02916	6.1
91.05490	10.1
93.03414	1.2
93.07048	9.3
93.61021	0.9
95.01337	10.8
95.04959	6.2
95.08589	2.4
97.02901	1.2
97.06542	16.5
98.97560	1.6
99.04480	1.2
99.08099	1.5
103.05463	1.1
105.07035	3.6
107.04960	5.3
107.08615	4.6
109.02895	1.1
109.06525	24.3
109.10175	1.2
111.04448	1.9
111.08076	2.8
113.02393	3.1
115.04005	1.1
117.07014	4.6
119.04945	4.9
119.08573	9.3
121.02870	1.6
121.06535	5.3
123.04482	2.8
123.08073	2.3
125.02377	1.2
125.05179	1.0
125.06029	3.8
129.01863	1.0
129.07047	3.0
129.57166	0.9
131.08575	4.1
133.06577	1.2
134.91064	1.0
135.04396	1.8
135.08066	4.1
137.05984	7.2
137.09642	2.0
139.03934	6.7
139.07558	3.8
141.01826	3.2
141.05519	2.1
145.06480	2.5
147.04370	1.5
147.08069	9.9
149.06003	4.0
151.03859	1.6
151.07542	2.9
153.09055	1.2
155.07065	4.0
159.02951	1.3
161.05972	1.5
163.07547	10.3
165.09125	22.1
167.07030	3.2
173.04486	1.2
173.06029	2.5
175.07544	5.3
177.05518	2.0
179.07069	1.7
181.07246	1.0
181.08607	5.9
183.10173	3.1
189.05528	1.3
191.07056	3.1
193.08630	23.6
197.04494	5.8
199.09706	12.3
209.08105	12.6
211.09657	12.8
219.06497	1.3
225.07489	1.4
227.09200	9.5
237.07559	6.2
241.10692	1.4
255.08658	100.0
269.10144	2.4
273.09805	6.6
276.06052	1.1
287.11267	2.8
322.06320	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77600	0.2
56.96565	4.7
57.03466	0.4
58.36949	0.2
60.80324	0.2
61.02943	0.5
62.05693	0.2
69.03452	0.4
71.53267	0.3
71.53603	0.2
71.95278	0.7
73.02937	0.6
74.08172	0.2
74.93185	0.6
76.92881	0.3
82.99873	0.4
84.42610	0.2
84.96046	0.4
85.02932	0.6
91.45938	0.2
93.65047	0.2
97.02932	0.8
98.97585	15.6
99.97948	0.4
100.77273	0.2
101.00879	2.4
102.00928	2.0
102.96857	0.5
110.97607	0.9
116.98623	9.8
119.01926	3.8
120.02021	2.8
120.97926	0.3
121.01684	0.3
121.30305	0.2
122.97793	0.3
123.98550	0.2
124.99139	0.3
127.02376	0.4
128.02599	0.5
128.98625	0.9
130.93338	0.3
131.01915	0.5
131.07143	0.2
132.02016	0.2
134.99663	3.4
137.02922	0.5
143.00180	0.5
143.01862	1.0
144.01959	1.9
145.01686	0.2
145.03459	1.2
146.03580	1.9
146.99683	0.6
153.00708	0.5
156.02011	0.3
157.03636	0.3
158.01315	0.2
158.99881	1.3
160.93462	0.3
161.01324	0.4
161.02968	1.5
162.03111	2.7
168.00258	0.3
168.98181	0.4
171.01456	0.5
172.01598	1.3
173.02902	0.3
174.03157	0.9
174.97702	0.6
176.97491	0.4
177.00955	9.2
178.01077	0.7
181.05000	0.3
182.99754	1.7
185.03014	0.2
186.99272	0.5
189.02510	1.4
190.02573	4.1
190.95424	0.5
192.04170	0.4
194.96802	0.3
196.95546	0.4
198.95949	0.3
201.00919	7.9
201.02299	0.5
202.01103	0.2
202.02681	1.7
205.00191	0.2
208.99864	0.3
214.02631	0.3
214.92026	0.5
214.96548	4.8
215.97006	0.3
216.98691	1.3
217.98923	0.2
219.02007	100.0
220.01935	2.4
220.03954	0.5
221.01735	1.3
221.05110	0.3
222.01831	0.3
222.05319	0.7
228.98555	0.2
231.00237	0.4
232.93092	0.4
232.96489	0.3
233.05055	0.4
234.03033	0.3
234.05269	2.7
234.99738	1.2
235.99872	0.4
236.99591	2.1
237.02937	0.2
238.96225	1.6
240.98557	0.3
241.96736	0.5
242.03587	5.0
243.01904	0.3
246.05270	0.3
247.49815	0.2
251.50429	0.2
252.96893	0.3
253.96960	0.2
254.93373	0.7
256.93222	1.1
256.97592	26.1
257.97849	1.5
258.96851	0.3
258.99725	1.8
259.54419	0.3
259.97327	0.4
260.95663	0.3
261.03088	0.9
261.97284	0.4
262.00110	0.4
262.05005	2.6
262.96951	0.5
263.05954	0.3
263.94418	0.3
265.97787	0.2
268.94299	0.3
268.97330	0.7
270.91150	0.4
270.97034	0.3
271.00394	0.3
272.94440	0.9
273.94714	0.4
274.94333	3.7
274.97714	1.8
275.44980	0.3
275.94305	0.8
276.04611	0.5
276.98138	0.3
277.00858	1.4
277.95093	0.3
277.97891	0.8
278.00934	0.4
278.47980	0.3
279.98105	1.3
280.05777	1.3
280.97275	3.2
284.00217	0.4
285.99857	0.5
286.98035	0.6
292.95059	0.8
295.91898	0.4
297.95905	0.5
298.18661	0.5
298.46512	0.3
298.97943	51.6
299.18640	0.8
299.98090	1.2
301.00934	0.3
302.01047	0.5
303.98029	0.4
304.01117	0.3
304.05942	0.5
306.96442	0.5
307.46527	0.4
307.96246	0.4
312.92517	0.4
316.42993	0.4
316.95230	1.5
316.99002	0.3
317.19748	0.3
318.94760	0.4
321.99448	6.7
322.06842	1.2
338.96176	0.3
339.95694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03949	3.7
54.12561	2.5
55.01870	4.0
55.05271	4.0
55.05513	57.9
56.96563	10.3
57.03433	3.3
57.07073	10.5
65.03927	4.5
66.33742	2.2
67.05180	3.3
67.05507	32.0
69.03420	6.9
69.07077	43.6
69.68195	6.3
69.68602	10.2
71.01344	5.8
71.04988	11.3
78.44892	2.5
79.05489	26.7
81.03411	6.3
81.06589	5.3
81.07061	100.0
83.04982	11.0
83.08616	16.8
85.02900	4.6
85.06541	6.5
91.05492	20.6
93.07047	62.2
95.04967	14.7
95.08614	60.7
97.02934	3.2
97.06520	14.5
97.10176	65.9
98.97582	11.3
99.04448	3.7
101.85237	3.5
105.07030	25.1
107.08598	62.9
109.06520	11.6
109.10164	41.4
111.08086	8.2
116.98631	5.1
117.07011	4.0
119.01862	2.8
119.08588	21.4
121.06510	5.4
121.10151	34.5
123.08111	2.7
123.11720	43.3
125.09612	17.6
125.13283	13.2
127.11266	3.9
129.09111	5.3
131.08582	10.6
133.10130	23.5
135.08070	4.3
135.11690	49.4
137.09584	4.8
137.13272	5.6
139.11197	2.8
143.08592	3.4
143.10732	13.9
145.10130	9.8
147.04440	7.0
147.11708	15.7
149.13274	35.3
151.11180	6.7
153.12744	6.6
157.10184	3.9
159.11687	13.1
161.13260	14.2
163.14824	12.6
165.12761	3.3
167.14319	4.0
173.13283	6.6
175.14832	3.8
177.05577	4.3
177.12732	9.5
187.14795	5.0
189.16466	3.4
191.14328	3.3
195.13831	16.1
210.68057	2.8
229.07428	4.8
257.22589	10.3
269.10541	7.1
275.23682	13.4
285.22086	8.4
293.24823	6.7
297.18002	3.3
303.19788	3.7
303.23203	91.6
321.16785	7.8
321.20761	3.2
321.24347	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	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
51.19292	0.6
55.05518	5.8
56.96560	1.3
57.03423	0.9
57.07060	2.0
67.05515	4.8
69.07065	5.0
69.33530	1.6
69.33941	3.6
69.83620	0.6
71.04979	1.6
71.08612	2.5
79.05500	3.7
81.07056	7.1
83.04986	1.1
83.08607	2.5
85.06525	2.1
91.05488	2.1
93.07047	5.3
95.04985	1.2
95.08613	7.8
97.06528	1.1
97.10169	1.4
99.08091	1.3
105.07058	3.1
107.08592	4.2
109.06517	13.9
109.10173	4.3
111.08065	1.7
117.07014	0.7
119.08581	3.2
121.10160	4.2
122.07303	0.8
123.08070	40.5
123.11684	1.6
131.08546	1.1
133.10138	2.7
135.08070	6.1
135.11702	1.0
136.08836	0.8
137.09615	3.7
139.11145	0.8
145.10117	2.4
147.11687	1.1
149.09621	1.7
159.11693	1.3
161.13240	1.1
163.11104	0.9
165.12730	0.9
167.14439	0.6
179.14316	50.4
182.39038	0.6
187.14842	1.4
193.15805	1.4
205.15860	1.0
214.91504	0.6
229.15399	0.7
233.15318	0.7
247.16982	1.1
261.18448	0.7
265.17996	11.0
265.20477	0.5
275.23654	0.6
285.21783	0.6
289.17981	1.0
303.23187	3.3
321.24240	100.0
322.24649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.2
57.03431	1.6
58.99845	2.2
61.02920	1.7
68.97572	1.7
69.03439	5.0
69.76524	1.6
70.48325	4.7
70.99862	3.0
73.02885	1.9
81.03427	3.1
82.10620	1.5
82.18871	1.7
82.99823	9.3
85.02907	6.4
94.99853	2.2
95.06094	2.7
97.01369	2.8
97.02906	3.6
97.45190	1.5
98.97588	26.4
101.00887	56.7
103.02480	1.9
110.97583	5.1
111.05557	3.8
112.99139	3.1
113.00858	21.5
115.02437	20.6
116.98608	7.2
117.03994	2.1
119.01926	60.6
123.05605	1.6
124.99125	1.9
126.24939	1.5
126.98782	2.7
127.02435	2.8
128.98602	4.5
129.00348	2.6
129.03970	3.6
131.00247	2.3
131.01921	35.4
133.03462	31.3
137.02950	5.8
139.02463	2.7
140.98567	2.1
141.06595	7.4
143.00154	2.8
143.01906	18.2
144.98184	2.0
145.03445	7.5
147.01447	2.0
147.05005	3.6
149.02943	4.8
151.04555	2.6
155.01909	24.8
157.03479	8.9
158.99683	5.2
159.01466	3.8
159.05057	4.3
159.07654	7.1
161.01614	2.4
161.02960	20.0
167.01947	2.9
168.99832	18.3
170.99777	2.6
171.01424	5.9
171.05016	4.9
172.99422	1.6
173.01425	2.7
173.02965	45.9
174.99088	2.3
175.04568	5.7
177.00777	3.9
177.02481	6.0
182.99907	1.7
183.01424	6.0
183.05101	2.0
185.02969	11.9
187.00877	29.4
189.00830	2.4
189.02466	14.1
189.62582	1.9
191.04013	15.5
193.05595	3.3
196.99310	11.0
201.00764	4.5
201.02443	88.1
203.03978	7.7
205.00249	2.8
205.01981	8.0
205.03728	2.5
213.02444	23.4
215.00375	33.8
217.01883	2.0
219.01724	6.6
219.03519	100.0
219.07043	5.0
221.05096	12.8
223.01314	1.8
229.01950	25.1
231.01382	2.8
231.03525	29.6
231.07153	4.5
233.01462	4.3
233.05084	22.7
237.02756	6.0
239.06148	7.3
242.05060	2.5
245.05038	4.9
247.03006	57.9
247.05495	3.5
249.04607	20.0
255.07028	1.9
261.04816	9.1
261.08264	4.7
265.04111	6.7
279.06042	3.4
279.09421	4.1
289.04190	16.1
303.00275	1.8
303.05615	2.0
307.05112	1.9
321.06592	35.4
321.10645	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
56.37028	2.4
56.96303	2.8
56.96571	44.9
57.03427	6.7
58.99864	2.7
61.02937	11.8
69.03440	25.7
69.34014	17.2
70.06590	2.0
70.98126	3.7
70.99867	3.0
71.05006	3.5
73.02923	9.4
79.05490	2.4
81.03439	11.4
82.99844	6.4
84.96024	8.0
85.02911	44.4
86.03230	2.9
87.04471	6.1
89.00883	3.0
91.03942	3.7
91.05459	4.8
91.61996	2.1
94.99869	2.2
97.01415	3.6
97.02902	26.2
98.20783	4.1
98.97587	86.3
99.04456	4.5
99.97959	3.3
101.00888	55.2
102.96766	2.4
103.00668	3.9
103.02424	2.5
105.03342	2.9
107.04960	9.4
109.02894	5.3
110.97585	21.5
111.05555	4.1
112.99145	8.4
113.00848	17.3
115.00724	2.8
115.02434	8.8
116.98621	24.6
117.04022	3.8
119.01926	72.2
119.04942	3.1
121.01652	4.3
123.04462	3.2
124.23912	2.1
124.99102	5.9
127.02477	3.8
127.03931	9.6
128.98610	20.8
129.03952	3.4
129.05434	2.8
130.08711	2.7
131.00198	7.6
131.01917	36.5
133.01675	3.8
133.03482	26.3
134.99641	6.9
135.05055	3.4
137.02959	8.4
137.05977	4.2
138.06335	2.9
140.98592	5.2
141.06596	7.7
143.00203	11.3
143.01932	18.4
144.98059	4.7
145.01718	2.5
145.03455	13.4
145.04977	9.7
146.99669	10.4
147.03241	2.4
147.04329	3.6
149.01199	2.9
149.03006	7.2
151.04535	2.9
152.98587	4.1
155.01889	24.6
156.98126	3.5
157.03433	14.2
158.99666	18.9
159.01419	3.6
159.03282	2.7
159.05045	9.3
159.07707	6.4
161.01260	4.3
161.02977	25.2
162.99057	3.0
163.04541	3.3
167.01942	2.4
168.05437	4.4
168.99815	9.6
170.99673	8.6
171.01178	4.2
171.05063	13.1
173.01363	4.8
173.02969	39.8
173.06491	3.5
174.99153	7.5
175.02820	4.1
175.04518	6.5
177.00731	15.5
177.02444	7.4
177.04297	7.1
177.06032	2.9
182.99707	2.5
183.01428	4.2
183.03407	3.4
183.05003	2.5
184.04857	2.4
185.02968	9.5
187.00883	26.4
187.02515	3.7
187.04459	3.2
188.96497	2.5
189.00644	6.3
189.02457	16.9
189.06105	9.3
191.04041	9.1
193.00134	3.0
195.01727	3.1
196.99327	9.8
199.02789	3.8
201.00716	13.0
201.02444	76.9
201.06128	3.9
203.03992	9.7
205.00218	5.8
205.01935	8.1
207.01758	3.0
208.55096	7.3
210.02605	2.5
213.02440	11.4
213.06006	2.6
215.00392	29.9
215.02258	3.5
217.05466	4.3
219.01715	36.5
219.03534	100.0
219.06947	4.5
220.02106	3.0
221.05043	26.4
223.01276	5.5
229.01961	23.8
229.06619	3.0
231.03528	15.9
233.05139	13.5
234.99405	2.9
235.02957	3.2
237.02730	28.8
238.03168	2.6
239.06126	17.3
239.54639	2.5
240.07533	2.8
243.01602	3.0
244.04335	4.0
245.04909	4.2
246.05524	3.2
247.02966	52.8
249.04643	17.6
261.02808	11.3
261.04996	4.9
261.08389	11.2
265.03903	4.3
272.55566	2.7
275.05969	2.7
279.03723	14.1
279.09323	20.4
289.04263	10.5
298.05331	2.2
298.12759	2.1
298.18753	2.5
302.56644	4.7
320.59113	2.5
321.06650	53.2
321.10492	25.3
339.09161	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0608
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
52.61599	0.7
53.00303	1.2
55.01863	0.9
55.05503	0.9
57.07066	0.9
65.03955	4.2
67.01881	1.2
67.05508	1.0
68.99812	3.5
69.03422	1.9
69.07050	0.8
69.94290	0.7
71.04959	1.4
71.05286	1.3
72.08154	1.4
76.21397	0.7
79.05499	1.1
81.03410	3.0
81.07040	1.1
83.04984	0.9
85.02878	0.8
85.06568	0.8
91.05481	1.0
93.03426	3.1
93.07024	1.3
97.02895	2.4
98.97544	1.0
107.04921	0.9
108.24413	0.7
109.02888	2.7
111.00801	1.7
111.04454	10.5
117.07066	1.2
119.04930	1.3
119.30273	0.7
121.02882	11.6
122.06055	1.8
123.04483	1.9
125.02332	1.5
127.03944	3.3
131.04930	1.6
133.02908	1.0
133.10159	0.9
136.07535	1.5
137.19470	0.7
139.03912	45.4
141.09116	1.0
145.02849	1.5
145.06494	2.9
147.04437	1.7
149.02351	63.6
150.03152	6.6
150.05537	0.7
151.03920	3.1
153.01842	100.0
154.02515	0.9
155.04880	2.0
155.06050	0.9
157.06528	0.7
159.04472	0.8
161.05988	1.4
163.03906	3.4
164.07149	0.8
165.01898	1.2
165.39119	0.6
167.02144	1.3
167.03418	14.7
173.05986	6.7
177.01910	2.5
177.05469	3.4
177.86540	0.7
183.04385	4.1
187.03912	1.0
191.03413	2.2
193.04913	0.9
195.01132	1.2
195.02902	22.4
201.05467	11.2
205.04970	1.1
211.03867	1.0
213.10141	0.8
219.02991	7.5
229.04990	19.3
247.03477	1.8
247.06038	30.5
257.04471	6.7
257.12656	0.7
261.04050	1.4
274.04681	2.2
275.05518	67.8
303.05020	20.5
303.12949	1.3
321.06055	14.3
321.09598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0605
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
50.73207	0.6
53.00291	0.8
55.01883	0.8
55.05505	3.0
56.13782	0.5
56.96564	0.5
57.03415	0.7
58.43861	0.5
59.05004	3.8
61.02952	0.4
65.03925	3.6
67.01854	1.4
67.05496	1.1
68.99783	3.4
69.03091	0.6
69.03430	7.5
69.07059	1.1
70.06567	1.3
71.04988	1.8
71.29334	0.8
72.97282	0.5
73.06554	5.7
79.05474	0.8
81.03421	3.4
81.07052	1.1
83.04954	0.7
85.02428	0.8
85.02905	10.6
87.04460	1.9
91.05491	1.1
91.52409	0.5
93.03417	3.2
93.07042	0.8
95.04988	1.0
95.08595	1.2
96.43027	0.5
97.02899	6.1
98.97584	0.7
99.04453	1.5
101.06018	3.9
105.03383	1.1
105.06998	0.6
107.04964	1.3
107.08606	0.8
109.02890	4.7
111.00796	1.4
111.04453	9.9
111.05212	0.7
115.05482	0.5
117.06998	1.1
119.04917	0.6
121.02877	13.5
121.06534	0.5
123.04438	1.7
125.02332	0.7
125.09615	0.8
127.03913	13.8
131.04880	1.0
133.02850	1.0
135.04379	0.5
135.11650	0.6
139.03906	45.8
141.09131	1.3
142.06570	1.0
145.04938	1.5
145.06517	2.9
147.04437	1.7
149.02348	61.2
150.03134	7.3
151.03918	3.3
152.07092	1.0
153.01833	100.0
154.02309	0.8
155.03362	0.6
155.04907	1.8
157.06551	0.7
157.08612	0.6
159.04416	0.7
159.10184	0.6
160.07565	9.1
161.05975	1.1
163.03842	3.1
165.01831	1.2
167.03407	12.2
167.04756	0.9
173.06035	5.2
177.01833	2.2
177.05458	1.0
179.03412	1.4
183.04451	4.1
187.03923	1.1
191.03386	2.2
191.06966	0.7
193.04938	0.6
195.02892	20.1
201.05492	7.4
205.04944	1.3
206.08453	0.6
211.03954	0.5
219.02948	6.3
219.06465	0.7
229.04961	20.1
231.08728	1.2
233.04453	0.6
239.03653	0.6
247.06027	31.1
257.04486	6.5
261.03986	1.8
267.11298	1.4
274.04727	1.1
275.05502	60.5
276.05841	0.6
285.04050	0.6
285.12292	2.7
289.12015	0.9
303.04993	21.0
303.13687	2.2
321.06052	12.9
321.09555	3.3
321.14346	2.0
322.12830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
56.96561	3.8
57.03426	3.0
61.02924	7.7
69.03436	12.6
69.07060	3.3
69.71778	5.7
70.06599	1.7
71.04968	2.0
72.93752	1.3
73.02917	4.5
75.76414	1.3
81.03424	13.6
85.02916	45.5
86.09730	2.8
87.04465	1.8
89.97440	1.2
91.03973	3.4
95.04964	1.6
97.02908	16.7
98.97581	8.7
99.04446	2.8
109.02889	100.0
110.97595	2.2
112.07641	2.1
112.99133	1.6
116.98605	2.1
123.04426	2.4
127.03915	8.3
128.98561	1.7
139.25041	1.3
140.07071	4.4
141.05476	87.9
145.04959	15.0
158.08150	5.8
158.99637	2.5
173.12843	2.2
177.05524	1.6
180.08682	3.3
201.15573	1.3
207.06664	1.6
212.01758	1.5
219.01772	3.7
237.02899	2.8
279.07516	2.0
300.38641	1.2
302.11990	2.1
320.10339	2.2
320.13663	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	320.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.2
56.96575	6.5
57.03438	13.0
67.05491	20.0
69.03448	6.0
69.07067	7.3
71.56918	6.6
71.57292	3.7
79.05515	30.3
81.02987	6.7
81.03423	80.6
81.03867	8.0
81.07051	32.1
83.04999	19.9
83.08610	25.4
85.02908	13.4
91.05490	27.4
93.07024	18.3
95.04980	23.8
95.08616	12.8
97.06544	6.8
97.10192	4.3
98.97600	16.6
105.07056	21.2
107.04934	10.1
107.08605	9.2
109.06541	7.5
109.10187	4.5
111.08094	13.2
116.98659	4.4
119.04960	3.9
119.08597	20.0
121.06492	5.3
121.10163	12.5
129.07010	9.2
131.08553	7.6
133.10144	14.7
136.07610	11.0
137.06026	4.9
137.07945	8.2
147.11688	14.0
149.09602	5.7
151.09459	5.3
153.01892	4.2
157.10126	13.4
165.07391	5.1
165.12869	6.4
175.11208	13.8
177.05481	7.0
193.12257	94.7
211.13315	100.0
219.01712	7.5
242.72064	4.0
267.15991	28.4
271.05994	29.0
274.16431	7.7
284.14764	19.7
285.16998	86.8
302.15753	5.8
320.22379	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	320.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	44.6
61.02917	1.3
67.05505	1.8
68.42986	1.1
70.03618	5.0
71.95266	4.9
72.96053	1.9
79.05500	1.3
80.62721	1.0
81.07054	2.0
84.96020	2.3
95.08585	1.1
97.96831	1.2
98.97580	4.5
101.05384	1.1
109.10210	1.1
110.97564	6.1
116.98618	1.1
119.01762	1.2
119.53501	1.0
121.69626	1.2
128.98611	4.2
137.02766	2.8
139.00664	3.9
145.01756	1.5
146.99594	2.0
147.03296	1.3
151.00668	2.1
153.02246	2.6
155.03810	2.3
157.01762	2.6
159.03304	1.9
165.02350	1.3
167.03813	3.3
169.01753	2.6
171.03340	5.8
172.11606	1.1
175.02753	1.1
179.03784	1.6
183.03265	4.4
185.04852	9.9
187.02733	1.3
189.04390	3.5
197.04904	2.7
199.06453	3.4
201.04324	2.8
201.07954	1.5
203.05859	8.7
205.05426	3.0
207.07074	1.2
209.04848	1.6
211.02763	1.3
211.06436	2.4
213.07957	10.5
217.05406	2.2
217.07452	2.9
221.08577	1.3
223.06421	6.0
223.10294	1.2
225.07954	2.1
227.05846	2.1
229.07471	6.4
231.07033	2.1
231.09047	8.1
235.06516	2.5
235.10182	1.1
236.09406	1.5
239.09488	1.8
241.07381	2.0
243.06865	2.8
245.06966	1.8
246.07971	1.3
247.08496	3.4
249.07993	6.3
251.09573	3.6
252.09279	2.2
253.07567	1.2
253.11157	3.9
258.39352	1.1
261.07944	9.9
267.09042	35.9
269.10660	7.9
279.09027	82.1
280.09390	1.1
285.10135	18.0
287.11700	1.6
290.10666	6.5
297.10110	100.0
298.10339	1.4
302.10715	7.5
315.11172	9.0
320.11584	19.5
320.29669	1.6
338.12335	1.2
339.50433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42331	1.4
53.03943	2.6
55.01890	1.4
55.05499	1.6
56.96564	22.9
57.03423	5.2
61.02932	17.4
69.03428	14.6
69.07050	1.8
69.49316	10.8
71.04987	2.1
73.02910	7.2
74.06088	2.4
81.03410	5.4
81.07030	1.9
84.96051	4.2
85.02912	31.2
86.09689	5.9
87.04463	2.7
91.03984	1.9
91.05482	10.6
93.07050	2.3
95.04983	1.9
97.02895	18.6
98.97588	100.0
99.04452	3.0
102.96923	2.0
105.03393	2.8
107.04932	3.7
109.02882	6.9
110.97583	18.4
112.99137	4.4
113.06023	1.6
116.98621	34.4
118.00967	1.7
119.01808	4.6
119.04958	13.6
120.97896	1.8
121.06420	1.7
121.24793	1.8
123.04399	3.8
124.99117	6.0
127.03928	9.5
128.02324	3.3
128.98607	14.5
128.99467	2.1
131.00089	3.3
132.97995	1.6
134.99661	7.1
136.06201	4.5
137.05983	22.7
140.07053	2.3
140.98576	4.0
141.01332	2.0
141.05452	5.5
143.00179	9.3
144.98087	2.0
145.01695	2.3
145.04941	5.1
146.99663	7.6
147.04407	31.2
157.01688	1.9
158.08136	2.2
158.99663	38.8
161.01227	6.6
161.04774	1.6
167.07028	2.5
170.05255	1.6
170.99663	6.9
172.97615	2.1
173.01213	2.3
175.02695	1.8
177.00713	21.7
179.07079	7.7
182.03424	2.3
183.02380	2.8
185.03027	2.0
186.04382	3.7
187.14369	7.4
189.00774	9.5
193.00377	1.7
195.01685	1.7
198.03145	1.7
199.04475	3.9
201.00708	5.0
201.05960	3.1
204.02910	3.1
205.00105	1.7
207.01752	5.0
208.04930	37.3
208.55107	2.1
209.55464	2.9
213.03325	3.2
213.05156	3.4
215.13866	2.8
217.05528	24.2
217.55585	1.8
219.01750	16.5
220.95239	1.9
221.04192	1.9
229.04701	2.4
230.06161	4.8
235.02904	8.1
237.02834	32.0
238.56888	1.5
239.04520	2.4
253.03864	5.1
255.03818	15.7
258.05774	6.9
260.04468	2.1
261.02798	3.5
271.05115	1.7
272.05414	15.3
279.03821	30.4
280.07291	2.4
287.05795	1.9
295.04837	2.5
297.04880	13.9
302.06531	22.3
302.56616	2.5
305.02005	2.3
309.08664	2.2
311.08783	5.9
320.10336	7.1
320.13931	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	320.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43365	2.3
56.96566	18.3
69.95362	1.9
70.39783	3.8
70.40171	5.8
84.96048	6.4
85.02902	3.2
98.97592	67.8
110.97583	9.0
112.89607	7.9
116.98602	13.5
124.99084	12.1
128.98615	5.3
131.60072	2.3
134.88684	2.2
140.98599	7.9
143.00168	23.5
158.99672	20.1
159.09651	2.1
161.01265	4.5
177.00710	16.5
189.00740	3.1
200.02760	2.2
201.00783	2.1
217.56024	2.2
219.01752	19.1
221.01733	2.6
221.05038	4.1
230.05574	11.0
230.55775	2.2
237.02838	100.0
255.03860	50.5
257.01791	3.7
279.03876	92.4
297.04950	57.8
320.06567	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	319.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92096	2.1
56.11163	2.1
56.96350	1.7
56.96569	20.8
57.03424	2.6
59.18409	1.8
61.02908	2.9
61.90323	1.8
69.03416	8.8
71.04974	2.5
71.49774	2.0
71.52775	2.3
72.27858	1.9
73.02920	2.5
77.00000	2.0
81.03380	2.3
84.96048	2.5
85.02898	10.0
97.02887	8.3
98.03196	1.9
98.97583	42.2
99.04433	2.2
101.00875	9.4
101.51059	2.1
110.97587	9.8
112.99157	11.4
113.00838	2.4
115.02422	6.3
116.98604	9.3
119.01902	9.2
119.11497	2.1
127.00668	3.2
128.98582	6.9
131.00191	5.4
131.01913	6.0
133.03484	13.5
139.00706	10.2
143.01907	10.2
145.01709	3.8
145.03471	4.9
155.01866	6.3
157.01743	24.6
157.03436	11.0
158.99654	7.6
161.02946	6.3
169.03458	7.4
170.99707	3.3
171.04988	3.9
173.03000	4.1
175.02771	13.4
175.04460	6.2
177.00696	4.5
177.82277	2.1
178.04922	4.5
185.02945	2.7
187.04475	5.1
189.00818	2.8
193.03737	5.5
199.02776	28.6
199.04425	3.9
203.04037	7.9
205.03748	2.9
211.04544	3.7
214.95377	3.2
217.01897	3.5
217.03711	14.5
219.01738	8.6
221.05031	8.1
232.96448	2.6
235.02925	4.2
237.02844	6.2
237.08037	2.5
237.58382	4.4
238.08272	2.6
245.04836	12.9
259.06775	34.5
277.07751	11.4
301.08820	5.1
318.60959	12.5
319.07306	16.2
319.10510	100.0
337.07947	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	319.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	9.1
57.03447	1.8
58.47042	0.7
61.02940	4.7
69.03437	5.7
70.06581	0.8
70.98112	1.0
71.05000	1.3
71.11542	1.5
73.02923	2.2
81.03444	1.8
82.99834	1.0
84.96029	0.9
85.02914	9.8
86.03235	0.7
87.04487	1.1
88.99188	0.7
93.97617	0.8
97.02352	1.2
97.02905	4.8
98.97583	15.1
99.04439	1.3
101.00897	5.9
109.02879	1.2
110.97575	4.3
112.99151	6.8
113.00874	1.1
115.00710	1.1
115.02440	5.5
116.07113	1.3
116.98597	4.2
119.01897	7.0
127.00706	1.8
127.02434	1.5
127.03930	2.3
128.02274	1.2
128.98627	3.2
131.00171	4.5
131.01910	4.0
133.03471	9.7
135.03134	1.1
139.00708	3.7
139.05927	1.0
141.03064	0.9
143.00140	1.4
143.01915	7.1
145.01732	0.9
145.03484	3.6
146.99675	2.3
149.01221	1.2
149.02965	2.1
153.05774	0.9
155.01906	3.4
156.02666	1.2
156.05415	1.2
156.55673	0.8
157.01758	8.8
157.03467	7.5
157.09628	0.8
158.96162	0.8
158.99585	3.9
159.05060	1.8
161.02980	5.6
163.02637	1.0
169.03476	3.5
169.54549	1.1
170.99660	1.5
171.05052	2.2
173.01283	1.2
173.02982	4.8
174.99141	0.9
175.02805	5.1
175.04532	2.9
177.00696	2.0
178.04924	1.9
178.55125	1.6
179.02162	1.0
179.05042	1.3
180.04594	1.4
181.03497	1.5
183.05058	1.2
185.02957	1.2
187.04572	3.2
189.00757	1.5
189.06056	0.9
190.98686	1.2
191.02353	1.1
191.04027	1.9
193.03682	3.3
195.03665	0.8
197.03127	1.0
199.02812	8.7
199.04546	3.1
201.00742	1.4
203.04044	5.0
207.05231	1.1
211.04617	2.4
217.03818	5.3
219.01759	5.5
221.05058	7.4
225.02930	0.8
237.02821	3.4
237.08118	1.8
237.58307	4.2
245.05132	5.6
259.02695	1.4
259.06699	24.0
263.06342	1.0
275.04614	0.9
277.07889	4.7
277.10355	0.9
287.02573	2.3
301.08884	3.8
318.60934	10.6
319.10284	100.0
319.60165	1.0
320.09964	1.0
331.91565	0.8
337.08087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1179
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03939	1.4
55.01864	0.7
55.05518	1.1
57.03434	0.8
61.25283	0.7
65.03930	1.9
67.05498	2.7
69.03419	1.6
69.07043	1.4
70.06641	0.6
71.04984	2.8
71.09743	1.5
74.24546	0.6
77.03928	0.8
79.05495	2.2
81.03428	1.9
81.07048	2.0
83.02530	0.6
83.04991	1.5
85.02912	4.6
85.06538	1.7
89.03934	2.0
91.05474	5.2
93.07056	3.1
93.81050	0.7
95.04962	2.2
95.08621	2.2
97.02866	1.6
97.06521	1.4
98.97561	1.2
99.08093	1.0
101.04268	0.8
103.05502	0.9
105.03412	0.9
105.07008	1.4
107.04967	1.5
107.08582	1.2
108.02100	2.2
109.02898	1.4
111.04421	1.9
117.03389	2.1
119.04998	0.8
119.08535	0.9
121.06553	4.8
121.10140	2.4
122.03700	1.1
123.04417	1.0
125.06069	0.7
127.03919	1.3
131.08551	0.7
133.02879	0.8
133.10170	1.0
134.03688	1.4
135.04411	1.2
135.11765	1.0
137.05983	7.5
139.11179	2.5
141.05452	1.9
149.06000	69.2
151.03928	85.5
151.05040	9.9
151.07581	2.3
152.06178	1.3
153.01834	1.3
153.05586	1.9
153.07005	7.3
157.12241	2.6
177.05489	100.0
181.06496	10.7
185.09613	0.8
195.07979	2.2
195.09557	0.8
197.06009	0.8
198.06792	2.3
199.07542	0.7
202.81438	0.6
209.05977	3.1
212.08368	0.7
213.09119	5.7
223.07790	0.7
224.08578	0.8
225.05682	0.9
226.06253	1.6
241.08629	7.2
255.11263	0.8
265.17944	0.9
268.07159	0.8
269.08072	2.7
271.09711	1.0
273.11227	17.2
283.09900	1.5
283.19046	0.7
294.93237	0.6
301.10776	12.1
319.04388	4.2
319.12820	3.6
319.16803	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.01859	0.5
65.03943	0.5
67.01868	0.3
67.05492	0.1
68.99440	0.2
68.99792	3.3
69.03424	0.5
69.07103	0.2
70.60966	0.4
71.05004	0.3
79.01868	0.4
79.05482	0.2
81.03405	0.5
83.04965	0.2
85.02887	0.4
93.03404	0.4
95.01337	0.1
95.08613	0.2
96.94662	0.1
97.02892	0.6
98.21372	0.2
103.05475	0.2
105.07028	0.3
107.01312	0.3
109.02887	2.1
111.00813	4.1
111.04459	0.7
119.05008	0.2
121.02856	0.4
121.06525	0.4
121.10122	0.3
123.04367	0.3
124.83551	0.1
125.02378	0.6
126.03128	0.4
127.03928	1.0
131.04849	0.2
133.02872	0.5
133.06514	0.2
135.04399	0.3
137.02347	3.7
139.03940	0.7
139.11192	0.2
143.03444	0.2
147.04401	0.4
149.02365	0.2
151.03859	0.3
152.01057	0.1
153.01836	20.6
157.12198	0.2
161.06013	0.7
163.03865	0.3
165.01852	6.0
166.02655	1.0
171.04343	0.6
173.06165	0.2
175.03903	0.4
177.05486	0.8
179.03403	2.7
183.02922	2.1
187.03970	0.2
189.05447	2.0
191.03442	0.2
193.01355	0.6
193.04984	0.2
194.02060	0.2
195.02954	1.5
199.03923	1.0
203.03412	1.1
205.49820	0.2
207.02937	0.9
207.06577	0.2
208.03706	0.3
216.04167	0.2
217.04979	7.2
219.02972	0.3
221.04457	0.4
227.03415	0.5
229.04988	0.5
231.02921	0.6
232.03664	0.4
235.02397	0.4
235.06026	0.5
239.01820	0.2
244.03644	0.5
245.04475	8.5
255.02954	1.2
261.03909	0.3
263.05521	1.1
272.03244	0.4
272.06552	0.2
273.03940	8.0
283.02374	0.3
290.04214	2.1
291.04984	0.3
301.03488	1.6
301.11850	0.2
319.04492	100.0
320.04837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
54.48023	1.3
54.85669	1.2
55.01875	8.4
56.02191	1.4
56.96548	3.4
57.03425	5.5
61.02921	8.4
62.62108	1.3
63.71758	1.2
67.05490	4.1
69.03073	2.1
69.03430	20.6
69.64799	8.8
70.06596	51.9
71.04993	3.7
73.02906	4.5
79.84689	1.3
81.03426	8.9
81.07076	1.4
84.96023	2.1
85.02907	100.0
85.89309	1.4
86.09702	3.7
87.04480	2.3
91.03954	6.0
91.05471	6.2
93.07050	9.7
95.04944	1.8
95.08600	5.8
97.02901	22.5
98.97591	6.9
99.04430	4.9
103.03955	3.0
103.05482	2.1
105.03382	2.2
105.07034	2.3
107.04961	2.6
108.00474	1.4
109.02888	9.9
109.06568	1.6
110.06049	2.3
111.04443	2.1
116.98610	3.2
119.04922	5.2
120.05260	3.5
121.02116	2.0
121.02892	22.3
121.06506	87.5
123.04401	2.1
126.09072	1.7
127.03924	24.1
130.06514	6.6
137.06024	3.1
138.05496	9.3
138.09157	11.4
139.03914	28.6
145.04961	44.2
145.06451	3.8
147.04396	4.5
148.04713	4.3
156.03766	1.7
156.06508	4.0
156.10173	13.6
157.07611	4.3
158.06030	4.4
159.07982	2.8
163.03960	3.2
163.06027	7.7
163.07304	1.7
164.24220	1.5
173.45038	1.4
175.08739	8.2
177.00639	2.1
179.07008	5.8
180.07358	8.2
180.08737	3.1
187.07555	16.6
200.05209	1.4
201.05956	2.2
203.08214	3.1
203.68758	1.4
205.08656	9.0
209.05623	3.3
217.08553	1.9
219.01764	2.0
221.09241	12.3
223.25148	1.6
229.08585	4.8
247.09671	5.1
256.14630	1.6
265.10724	4.1
300.09967	5.3
300.13419	3.3
301.12048	1.7
314.22894	1.9
318.11871	6.1
318.14798	5.4
319.12766	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01863	0.5
55.05493	0.4
56.83512	0.3
57.03429	1.0
57.93787	0.3
61.02922	1.3
69.03430	3.3
69.07074	0.5
69.74219	1.5
73.02917	0.5
78.73685	0.3
79.05485	0.4
81.03414	1.4
82.06582	0.6
83.08591	0.3
85.02905	6.8
86.09711	0.5
87.04468	0.8
91.05462	0.6
93.07035	1.4
95.04990	0.4
95.08051	0.4
95.08595	1.5
96.04505	2.3
96.08134	2.2
97.02890	3.1
97.05280	2.4
97.06538	1.2
99.04465	0.4
100.07623	0.5
107.04958	0.4
108.08058	0.5
109.02871	0.8
109.06512	0.4
110.06039	4.6
110.09698	2.7
111.08072	0.7
117.98728	0.3
120.08111	0.5
121.06508	3.6
125.08317	0.9
126.09162	9.5
127.03900	1.4
138.09140	19.5
139.07495	0.9
145.04941	1.7
155.03329	0.3
156.10204	100.0
157.10576	0.9
168.10300	0.8
198.11298	0.9
295.99234	0.3
318.15457	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3004
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.07083	7.2
58.06614	1.6
70.06596	14.8
70.80201	0.8
71.08636	2.4
73.17008	0.3
74.76491	0.3
85.10153	1.2
88.07635	21.1
102.09184	12.4
106.67899	0.3
111.51453	0.3
132.10175	0.9
146.11748	0.7
150.11250	0.5
212.23665	1.2
256.26364	42.1
257.26614	0.4
265.09109	0.3
300.29013	2.8
318.30045	100.0
319.30365	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.045
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
51.02380	0.1
51.26356	0.1
52.58020	0.1
53.47486	0.1
55.01868	0.3
65.03928	0.5
67.01868	0.3
68.99792	3.4
69.03430	0.4
69.07057	0.2
69.59240	0.5
69.59650	0.2
79.01848	0.4
79.05481	0.1
81.03412	0.6
81.07063	0.2
83.04963	0.1
85.02946	0.2
91.05494	0.3
93.03405	0.3
93.07044	0.2
95.01325	0.2
97.02904	0.5
98.21464	0.2
98.97609	0.1
103.05487	0.2
105.03380	0.1
105.07048	0.3
107.01332	0.3
109.02885	2.3
111.00043	0.2
111.00810	4.4
111.04429	0.6
115.05467	0.2
119.01401	0.1
119.04966	0.1
121.02882	0.4
121.06532	0.6
121.10133	0.2
122.06818	0.2
123.04457	0.3
124.07607	0.1
125.02357	0.5
126.03127	0.5
127.03902	0.8
129.41803	0.1
133.02826	0.5
133.06488	0.4
135.04346	0.1
137.02342	4.0
139.03889	0.6
139.11206	0.1
143.03481	0.2
143.04971	0.1
146.58791	0.1
147.00795	0.2
147.04439	0.7
149.02345	0.3
149.05997	0.2
151.03906	0.3
152.01054	0.1
153.01836	21.5
153.05470	0.4
155.04884	0.1
161.02376	0.4
161.06013	0.7
162.24837	0.1
163.03947	0.3
165.01845	6.2
166.02615	0.8
171.03120	0.1
171.04407	0.7
173.06021	0.2
175.03934	0.4
177.05457	0.8
179.03403	2.6
179.04930	0.2
183.02910	2.0
183.04494	0.1
189.01869	0.3
189.05478	1.8
189.07024	0.1
191.03419	0.3
193.01323	0.6
193.05054	0.1
194.02075	0.2
195.02943	1.1
199.03925	0.9
201.05539	0.1
203.03409	1.3
204.04066	0.1
205.04839	0.2
207.02902	0.7
208.03716	0.1
209.04463	0.2
216.04224	0.2
217.04976	7.2
219.02962	0.3
221.04515	0.7
223.02298	0.1
227.03416	0.7
229.05061	0.4
231.02940	0.5
232.03709	0.3
233.04492	0.2
235.02380	0.3
235.06067	0.6
239.01952	0.3
244.03709	0.8
245.04471	8.7
249.04065	0.2
255.02898	1.6
259.02377	0.2
262.04861	0.2
263.05469	1.1
272.03186	0.3
273.03940	8.1
283.02496	0.3
290.04218	2.3
291.04959	0.3
301.03442	1.8
301.06653	0.1
301.11761	0.2
302.03659	0.1
319.04492	100.0
320.04779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1337
Annotation	3-O-demethyltazettine
Peak:m/z	Relative Intensity
50.68434	0.6
51.02383	0.7
53.03934	1.0
54.00444	0.5
55.05503	0.7
71.04997	0.6
71.52541	1.2
77.03952	0.6
79.05489	6.3
81.07074	1.0
85.07381	0.6
91.05479	3.2
93.07066	1.3
94.06562	1.1
95.04977	1.3
98.97599	4.3
105.04520	0.8
105.07017	1.1
106.06561	25.3
107.04960	63.3
107.08598	1.2
108.31969	0.6
109.02928	0.7
109.06535	0.5
110.01313	0.6
115.68835	0.5
117.05748	1.4
118.06545	1.4
120.08087	1.2
130.06532	100.0
131.04929	1.0
132.08096	6.7
133.06499	2.5
134.06055	2.9
137.06003	1.8
143.07260	1.1
146.06027	1.9
147.04431	1.7
148.07570	8.9
158.06021	9.0
158.99673	2.2
160.07582	2.8
161.09622	0.6
165.07086	0.7
166.20573	0.6
170.06013	0.7
174.05515	1.7
176.07086	22.6
177.00668	1.2
182.09695	1.1
194.08134	57.0
195.14932	0.8
200.04454	1.1
200.10645	1.2
206.08139	0.6
210.09167	6.1
212.09163	4.1
219.01736	1.0
228.10124	2.3
236.10718	18.5
254.11790	12.8
268.08679	0.8
300.12311	60.2
301.12634	1.0
318.13339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03905	1.4
55.01863	2.3
55.05514	13.7
55.54268	1.1
56.96564	1.9
57.07070	4.5
59.04991	5.1
60.04519	2.7
60.42056	1.2
65.03928	3.2
67.05509	47.0
69.03409	4.7
69.07081	5.7
70.06590	2.2
70.53471	1.2
70.53796	3.1
71.04995	3.0
74.75160	1.2
79.05491	10.2
81.03426	2.4
81.07064	24.6
83.04971	4.1
83.08639	8.1
85.02883	1.7
85.06529	2.8
87.04459	1.5
88.07627	3.1
91.05487	12.0
93.07048	19.1
95.04967	21.7
95.08606	19.2
97.06524	9.8
98.97561	2.9
99.04483	1.4
102.09182	1.7
105.03423	2.8
105.07032	17.1
107.04945	3.3
107.08604	36.3
108.05753	1.8
109.06526	15.6
109.10162	77.5
111.08055	2.4
113.09634	2.1
115.05478	1.4
117.07030	4.1
119.08585	49.9
121.06513	6.0
121.10153	9.6
123.08074	25.7
125.05970	1.6
125.09621	2.3
127.07567	1.5
129.07016	2.4
131.08571	6.8
133.06488	3.7
133.10121	8.9
135.08069	8.0
135.11711	3.2
137.05981	2.4
137.09619	54.3
142.07805	1.5
143.08556	5.0
145.10114	11.2
147.08047	4.6
147.11684	4.2
149.09604	5.4
151.07552	57.7
153.05501	4.2
155.08568	2.2
156.09305	3.4
157.10124	3.3
159.08066	3.8
159.11731	7.3
161.09619	9.0
161.13243	2.5
163.11194	5.4
165.09131	6.2
167.07051	2.5
169.10121	1.8
171.11647	5.7
173.09618	2.9
173.13278	4.4
175.11163	4.1
177.09131	2.9
177.12837	2.0
179.10660	1.2
181.08611	3.0
181.12263	1.8
185.13289	2.0
187.11153	1.7
187.14819	1.5
189.12743	25.0
191.10651	1.9
191.14331	2.0
195.11777	1.6
197.13280	2.1
199.11226	2.1
201.12723	2.4
203.14278	3.1
207.13829	23.9
213.12790	2.1
215.14287	2.9
217.12294	1.6
221.15343	5.2
225.16043	1.3
231.13808	1.8
233.15442	4.2
237.14842	6.0
243.13846	9.6
253.19319	1.5
256.26407	4.4
259.16946	1.7
261.14862	4.2
281.18936	3.3
288.92154	1.8
294.15399	1.3
299.20059	15.3
317.06610	2.4
317.21112	100.0
317.28900	5.8
318.21735	2.0
318.30148	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01861	1.9
57.03424	1.3
61.02905	2.5
65.03940	1.0
69.03438	3.8
70.06596	16.2
71.38142	1.5
73.02921	1.0
81.03419	1.4
85.02429	1.3
85.02911	16.0
91.03947	1.4
97.02882	3.4
98.97553	0.9
108.74609	1.0
109.02880	1.2
119.25895	0.8
121.02876	72.4
121.06470	5.5
127.03920	1.7
130.06523	1.5
138.05516	1.6
138.09145	2.0
139.03911	100.0
145.04971	2.5
148.04759	1.1
156.06520	0.9
156.10207	2.5
157.07605	1.6
158.06026	1.4
175.08701	1.9
187.07536	0.8
209.71548	0.7
221.09346	4.8
318.14661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01865	1.9
55.05510	3.3
56.66282	0.7
56.96562	2.0
57.03438	3.6
57.07074	1.9
61.02929	2.2
67.05516	5.4
69.03433	10.4
69.07069	4.5
69.18949	7.7
71.01327	0.9
71.04990	2.3
73.02915	3.3
79.05495	8.7
81.03426	5.0
81.07059	100.0
82.13648	0.7
83.04996	1.9
83.08613	1.2
85.02907	56.2
85.06548	1.0
87.04469	1.9
91.05478	4.3
93.07037	7.5
95.04979	2.3
95.08608	17.9
97.02899	9.1
97.06537	1.6
98.21543	1.5
98.97582	2.9
99.04459	2.5
99.08095	1.3
103.03949	2.1
105.07028	6.5
107.04973	2.4
107.08584	7.2
109.02879	7.6
109.06513	2.0
109.10165	6.4
111.04502	1.7
115.03907	0.8
117.06996	1.3
119.04969	1.0
119.08580	4.3
121.06536	1.0
121.10160	2.4
123.04462	4.0
123.08109	1.8
123.11686	1.5
125.05985	0.7
127.03922	12.7
129.05518	1.6
129.06999	0.7
131.04999	0.7
131.08578	3.6
131.88208	0.7
133.04971	1.1
133.10146	3.1
135.08067	1.5
135.11676	6.9
137.05972	1.6
137.09612	1.5
137.13258	31.4
139.03937	1.9
139.42540	0.7
143.08574	1.8
145.02916	0.9
145.04962	15.6
145.10104	2.0
147.04434	2.3
147.08095	1.7
147.11774	3.6
149.05978	0.9
149.09618	0.8
149.13272	2.6
151.03897	1.5
151.14832	0.8
153.01807	0.9
153.05516	1.1
155.08614	0.7
155.10623	0.7
157.10162	1.8
159.11676	3.5
161.06001	1.0
161.09628	2.1
161.13295	2.3
163.03885	2.0
163.06012	10.8
163.11206	1.2
164.65588	0.6
165.05495	7.9
165.12714	1.0
168.05386	0.8
171.11768	1.2
172.08719	0.6
173.08003	0.8
173.13297	2.3
175.11153	1.3
177.05540	1.5
177.12712	1.3
179.14398	1.0
184.83687	0.7
185.13264	1.1
187.11243	0.8
187.14764	0.8
189.12737	1.0
199.14825	1.2
203.14262	1.6
207.13985	0.8
221.15425	0.8
227.14413	0.9
228.97856	0.7
263.16476	2.8
273.06757	0.7
274.04758	10.8
281.17664	0.9
293.15085	1.2
299.05743	0.8
299.09109	0.9
302.04208	13.1
317.06589	31.4
317.10187	3.2
317.16199	3.3
317.20108	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01865	1.9
55.05510	3.3
56.66282	0.7
56.96562	2.0
57.03438	3.6
57.07074	1.9
61.02929	2.2
67.05516	5.4
69.03433	10.4
69.07069	4.5
69.18949	7.7
71.01327	0.9
71.04990	2.3
73.02915	3.3
79.05495	8.7
81.03426	5.0
81.07059	100.0
82.13648	0.7
83.04996	1.9
83.08613	1.2
85.02907	56.2
85.06548	1.0
87.04469	1.9
91.05478	4.3
93.07037	7.5
95.04979	2.3
95.08608	17.9
97.02899	9.1
97.06537	1.6
98.21543	1.5
98.97582	2.9
99.04459	2.5
99.08095	1.3
103.03949	2.1
105.07028	6.5
107.04973	2.4
107.08584	7.2
109.02879	7.6
109.06513	2.0
109.10165	6.4
111.04502	1.7
115.03907	0.8
117.06996	1.3
119.04969	1.0
119.08580	4.3
121.06536	1.0
121.10160	2.4
123.04462	4.0
123.08109	1.8
123.11686	1.5
125.05985	0.7
127.03922	12.7
129.05518	1.6
129.06999	0.7
131.04999	0.7
131.08578	3.6
131.88208	0.7
133.04971	1.1
133.10146	3.1
135.08067	1.5
135.11676	6.9
137.05972	1.6
137.09612	1.5
137.13258	31.4
139.03937	1.9
139.42540	0.7
143.08574	1.8
145.02916	0.9
145.04962	15.6
145.10104	2.0
147.04434	2.3
147.08095	1.7
147.11774	3.6
149.05978	0.9
149.09618	0.8
149.13272	2.6
151.03897	1.5
151.14832	0.8
153.01807	0.9
153.05516	1.1
155.08614	0.7
155.10623	0.7
157.10162	1.8
159.11676	3.5
161.06001	1.0
161.09628	2.1
161.13295	2.3
163.03885	2.0
163.06012	10.8
163.11206	1.2
164.65588	0.6
165.05495	7.9
165.12714	1.0
168.05386	0.8
171.11768	1.2
172.08719	0.6
173.08003	0.8
173.13297	2.3
175.11153	1.3
177.05540	1.5
177.12712	1.3
179.14398	1.0
184.83687	0.7
185.13264	1.1
187.11243	0.8
187.14764	0.8
189.12737	1.0
199.14825	1.2
203.14262	1.6
207.13985	0.8
221.15425	0.8
227.14413	0.9
228.97856	0.7
263.16476	2.8
273.06757	0.7
274.04758	10.8
281.17664	0.9
293.15085	1.2
299.05743	0.8
299.09109	0.9
302.04208	13.1
317.06589	31.4
317.10187	3.2
317.16199	3.3
317.20108	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
56.96564	1.0
59.47702	0.4
66.29321	0.4
67.05510	0.8
69.03419	1.4
69.07088	0.6
69.97710	2.0
69.98140	0.8
70.06583	0.8
71.04990	0.8
72.08138	0.5
75.05589	0.4
78.00910	0.5
79.05484	0.9
79.62904	0.4
79.78255	0.5
80.42327	0.5
81.03419	0.8
81.07045	1.0
83.20246	0.5
83.27834	0.4
85.02902	1.9
86.09682	1.2
91.05480	1.4
93.07054	1.0
95.04946	0.7
95.08622	0.7
97.02880	0.7
97.06535	0.6
98.97569	1.2
100.24568	0.4
107.04954	1.4
109.05323	0.5
109.06504	0.6
109.10151	0.6
116.07094	1.2
117.07472	0.8
119.04963	5.0
119.08612	0.6
123.04454	0.7
127.03933	0.9
127.07534	0.6
137.06012	1.0
137.09622	1.2
138.05524	0.6
139.03859	0.8
145.10136	0.5
147.04437	6.0
155.06859	12.4
155.10670	0.8
158.99609	0.6
163.54201	0.5
165.05496	1.2
174.13159	0.7
179.07039	9.1
185.04225	9.8
203.05347	4.0
299.09897	1.4
317.12085	100.0
317.15427	7.4
318.12677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24861	0.4
55.01866	1.6
57.03431	0.5
57.72743	0.4
62.25155	0.5
67.05508	0.8
69.03420	1.0
69.07050	0.4
70.66292	0.4
71.04996	0.8
71.06958	0.7
71.07284	0.6
78.72567	0.3
79.05494	0.7
81.07043	1.5
83.04958	0.5
85.02888	1.2
88.14714	0.4
91.05476	1.6
92.05788	0.8
93.07031	1.2
95.04953	0.6
97.02864	0.6
98.97588	0.8
105.07031	0.6
107.04939	0.8
107.08614	0.4
109.02892	0.6
109.06506	1.0
109.10147	0.7
112.88684	0.3
119.04911	0.9
119.58579	0.4
120.05299	0.7
121.06496	0.4
123.04428	0.4
125.09575	0.5
127.03868	0.6
127.07549	1.1
133.02887	0.4
137.05981	1.8
137.09637	0.7
138.06297	0.5
139.03883	0.4
141.03751	0.5
145.03447	0.4
147.04514	0.6
155.07043	0.6
155.10646	0.6
179.07060	0.5
185.06119	0.5
188.87822	0.4
194.07680	0.4
201.10207	0.6
229.09796	0.6
237.02751	0.4
257.09290	1.1
271.10800	1.1
281.17493	0.5
299.10162	1.5
300.09460	0.5
317.12030	100.0
318.12354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01874	41.7
55.05516	0.7
56.41083	0.6
56.96556	1.6
57.03411	1.0
61.02913	1.1
65.03923	1.0
67.05498	1.3
67.94509	0.6
69.03407	2.3
69.07061	1.0
70.06602	1.3
70.31720	1.3
70.32113	1.6
71.04991	1.4
72.08118	0.8
73.02883	1.3
81.03408	1.0
81.07039	1.0
85.02904	4.0
86.09711	1.6
87.04488	0.9
87.10040	0.7
91.05488	4.1
93.07014	1.3
95.04952	1.4
95.08603	1.0
97.02875	1.2
98.97577	2.8
105.03394	1.9
105.07038	1.4
107.04948	1.5
109.02873	1.7
109.06524	1.0
110.97560	0.8
115.05437	0.8
116.07085	1.5
116.98602	1.0
117.03345	0.8
119.04948	46.0
123.04441	1.9
123.08076	0.7
127.03934	1.9
128.98494	0.8
133.02876	1.1
135.04388	1.0
137.05997	3.2
137.09621	1.4
139.03879	1.9
140.04692	3.3
143.08670	0.7
145.63170	0.8
147.04420	57.0
151.03999	0.7
152.06952	0.7
155.03401	2.2
155.06892	10.6
155.10596	0.9
158.99698	1.0
161.01144	0.7
161.06029	2.4
163.03891	3.1
165.05507	1.8
167.07066	0.8
179.07042	100.0
180.07387	0.7
181.04933	1.7
185.04231	5.3
189.05441	0.7
199.04282	0.9
203.05180	4.7
207.06560	1.0
219.01788	0.8
237.02835	1.0
243.08748	0.9
275.05573	0.8
287.10446	0.9
293.08997	0.8
299.10333	2.2
306.74347	0.7
317.12085	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94597	0.1
53.03947	0.2
53.79060	0.1
54.16101	0.1
55.01863	0.2
55.05508	0.2
56.96584	0.2
57.03439	0.2
65.03944	0.6
67.05492	0.5
68.99784	0.6
69.03416	0.3
69.07063	0.2
70.06596	0.9
71.04977	0.2
71.54549	0.1
79.05488	0.3
81.03407	0.3
81.07063	1.2
84.36581	0.1
85.02908	0.5
86.09709	0.2
91.05477	0.5
92.02626	2.7
93.03400	2.6
93.07040	0.4
95.04970	0.3
95.08605	0.9
97.02879	0.2
97.06525	0.1
98.97572	0.3
103.05483	0.2
105.03407	0.8
105.07044	0.3
105.21315	0.1
107.04950	0.4
107.08588	0.3
109.02883	0.4
109.06519	0.4
109.10168	0.4
111.00814	0.3
117.07012	0.2
119.08583	0.2
120.02078	0.2
120.08083	0.4
121.02868	2.2
121.06548	0.2
121.10154	0.2
122.03658	0.2
123.04417	0.3
123.08001	0.1
124.01569	0.1
125.09655	0.2
126.03126	1.0
127.03932	0.1
127.07550	0.1
127.08614	0.1
129.07005	0.2
131.04948	0.2
133.02852	0.4
133.10139	0.3
135.04372	0.3
135.08009	0.2
135.11623	0.2
137.02319	0.6
137.05968	0.4
137.09615	0.2
137.13173	0.1
139.03900	1.6
143.08583	0.1
145.02840	0.1
145.10127	0.2
146.05995	0.1
147.04408	0.2
149.09644	0.1
150.03050	0.1
151.03922	1.5
151.05017	0.2
152.01024	0.2
153.01830	15.4
155.04915	0.3
159.09196	0.1
161.05998	0.2
161.09465	0.1
163.03894	0.4
165.01849	1.2
166.02515	0.3
166.08676	0.3
169.09914	0.1
173.06007	0.4
176.04581	0.2
177.02011	0.2
177.05545	0.3
179.03435	0.2
183.02914	0.3
183.04451	0.3
183.08165	0.1
187.03856	0.3
189.05478	0.3
190.06239	0.3
191.03372	0.4
193.04967	0.2
200.04674	0.7
201.05482	1.5
203.03383	1.4
203.14253	0.2
204.04118	0.2
213.05470	0.2
215.03395	0.1
217.04948	2.5
218.05714	1.0
219.02911	0.4
223.02728	0.3
228.04166	3.2
229.04964	7.1
229.15562	0.2
231.02905	1.1
232.03648	0.2
239.03377	0.2
239.06973	0.2
243.06546	0.3
245.04457	3.2
246.05220	2.8
247.02478	0.2
256.03625	0.4
257.04437	3.8
257.08643	0.2
258.05188	0.2
260.03189	1.0
261.01044	0.2
261.07532	0.6
271.05896	0.5
273.03940	3.2
274.04724	7.2
284.03091	0.9
285.03946	7.5
286.04620	0.3
287.01877	0.2
288.06339	0.3
299.09250	0.4
299.12766	0.3
301.03516	0.3
302.04218	21.1
317.06555	100.0
318.07040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03942	0.4
55.05512	4.3
56.05040	4.1
56.96574	0.4
57.03443	0.5
57.07078	3.1
57.36911	0.4
58.06581	0.6
60.04527	100.0
67.05506	7.1
68.05025	0.8
69.07067	4.7
69.77451	1.9
70.06597	0.9
71.08642	1.0
72.04528	1.5
74.06089	2.5
78.78542	0.4
79.05496	3.8
80.05016	0.9
81.07061	7.4
82.06574	1.2
83.08620	3.2
87.04466	0.4
90.05568	1.2
91.05492	2.6
93.07044	3.4
94.06576	1.1
95.04939	0.5
95.08606	6.7
96.08154	0.5
97.06520	0.6
97.10186	1.5
97.51929	0.5
98.06066	0.4
98.97629	0.5
100.07599	0.4
105.07043	1.5
107.08585	2.1
108.08186	0.6
109.10162	3.1
111.11611	0.4
112.07616	0.6
113.76584	0.4
116.07079	0.4
119.08585	1.3
121.10127	1.9
123.11698	1.3
133.10107	0.9
135.11720	1.2
137.09596	0.5
137.13235	0.4
189.41696	0.4
220.31200	0.4
233.22505	0.4
245.22704	0.6
250.25290	1.5
262.25293	1.7
263.23450	0.4
263.72330	0.5
268.26270	1.3
280.23294	0.8
280.26355	13.2
298.27423	15.7
316.28467	53.7
317.28815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03960	0.1
55.01886	0.2
55.05526	0.2
56.96566	0.2
57.03431	0.1
61.40374	0.1
62.75208	0.1
65.03957	0.4
67.05498	0.3
68.99815	0.4
69.03434	0.2
71.00874	0.3
74.54474	0.1
81.02345	0.1
81.03431	0.2
81.07063	0.5
85.02914	0.4
85.06557	0.2
92.02634	2.6
93.03403	2.3
94.04170	0.2
95.01331	0.2
95.04954	0.3
95.08640	0.3
97.02902	0.2
98.97604	0.4
105.03421	0.2
105.07056	0.4
107.04961	0.3
107.08613	0.1
109.02905	0.3
109.10162	0.3
110.97586	0.1
111.00814	0.3
111.08109	0.1
113.46715	0.2
120.02074	0.1
121.02872	2.0
122.03691	0.2
126.03123	0.9
127.03967	0.2
128.98552	0.2
133.02858	0.3
135.04448	0.2
137.02382	0.5
137.05936	0.7
137.13229	0.2
139.03897	1.2
145.06548	0.2
150.03113	0.2
151.03915	1.3
151.05000	0.2
152.01120	0.2
152.04539	0.2
153.01837	15.1
154.02411	0.1
155.04938	0.3
159.04388	0.2
161.06050	0.2
163.03947	0.5
163.05937	0.1
165.01845	1.0
166.02637	0.3
166.08560	0.2
167.07121	0.4
173.06024	0.4
177.05484	0.3
179.03488	0.3
183.02953	0.3
183.04448	0.2
187.03940	0.3
189.05544	0.2
190.02748	0.2
190.06265	0.3
200.04709	0.6
201.05492	1.6
201.07219	0.2
203.03413	1.1
204.04173	0.4
209.28528	0.2
217.04968	2.3
218.05795	1.5
219.02908	0.6
222.74208	0.1
228.04172	3.1
229.04971	6.7
231.02876	1.2
232.03680	0.2
233.04590	0.2
235.57385	0.2
239.03424	0.3
243.06512	0.2
245.04471	3.6
246.05257	2.7
247.02382	0.2
256.03619	0.5
257.04459	4.3
258.05301	0.2
260.03210	0.5
261.07565	0.3
271.06009	0.5
273.03946	2.8
274.04721	6.6
284.03192	0.6
285.03946	6.7
286.04541	0.2
287.01871	0.3
288.06296	0.4
299.09210	0.2
301.03430	0.4
302.04227	20.8
317.06564	100.0
318.06970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
55.15533	0.2
61.59860	0.3
67.05520	0.3
67.42760	0.3
69.03414	0.3
69.90918	1.4
79.05519	0.5
81.07049	1.1
83.08591	0.5
85.02913	0.7
90.32066	0.2
91.56683	0.3
91.95457	0.3
97.05236	0.5
98.06068	0.7
98.09743	0.3
98.97581	0.4
100.78518	0.3
108.08130	0.7
109.02849	0.3
109.06517	1.9
110.06050	0.6
111.06823	0.3
122.51168	0.3
124.07590	0.5
126.09155	0.8
136.56911	0.3
139.06302	1.2
154.08636	100.0
288.58990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11277	0.1
53.03941	0.4
55.01881	0.3
55.05516	5.0
56.05040	3.7
56.05291	0.3
56.96561	0.8
57.03450	1.0
57.07077	3.0
58.02965	0.3
58.06599	0.2
60.04530	100.0
61.04854	0.2
65.03938	0.4
67.05510	8.2
68.05042	0.6
69.03435	0.4
69.07074	5.7
70.06602	1.0
70.66811	0.5
71.05011	0.3
71.08624	0.8
72.04524	1.9
73.02929	0.4
74.06088	2.1
79.05499	4.1
80.05016	1.2
81.03436	0.5
81.07065	8.0
82.06583	1.4
83.04990	0.5
83.08624	3.9
84.04525	0.3
84.08153	0.3
85.06565	0.2
85.10191	0.4
86.06069	0.9
87.04464	1.0
88.07642	0.2
90.05563	1.6
91.05496	2.5
92.59733	0.2
93.07050	4.1
94.06570	1.0
95.04974	0.8
95.07352	0.4
95.08613	6.7
96.08154	0.7
97.06551	0.7
97.10175	1.8
98.06085	0.5
98.97632	0.2
100.07647	0.6
102.05556	0.2
105.03405	0.6
105.07055	1.5
107.04984	0.5
107.08601	2.1
108.08132	0.4
109.06513	0.3
109.10157	2.6
110.09679	0.2
111.08120	0.4
111.11723	0.6
112.07633	0.5
114.09211	0.2
116.07108	0.4
119.08575	1.6
121.10159	2.0
122.09686	0.2
123.08105	0.3
123.11723	1.0
124.08610	0.2
125.13229	0.2
126.09166	0.2
131.13525	0.1
133.10107	1.1
135.11719	1.0
137.09636	0.2
137.13289	0.4
145.10057	0.2
147.11678	0.4
149.13293	0.4
151.14827	0.3
154.12395	0.2
161.13281	0.2
163.14789	0.2
212.23793	0.6
219.21036	0.3
221.22667	0.3
233.22589	0.4
239.23790	0.2
245.22675	0.3
250.25298	1.2
251.23703	0.3
256.26419	0.2
262.25272	1.4
263.23813	0.5
267.08749	0.2
268.26346	0.7
275.13220	0.3
280.26376	10.9
293.10938	0.3
293.14233	1.0
298.27426	13.8
310.41116	0.2
311.15427	0.3
316.28479	54.7
317.21066	0.5
317.28671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.9
55.01878	5.5
55.05516	17.3
57.03439	9.6
57.07081	4.6
61.02938	4.2
61.09591	2.6
67.05510	17.0
69.03435	19.9
69.07071	8.2
70.70990	3.1
70.71335	5.3
71.01360	4.0
71.04976	5.2
72.75106	2.9
73.02907	6.4
74.65833	2.5
79.05502	25.4
81.03417	11.3
81.07064	61.9
83.04983	14.0
83.08624	4.6
85.02914	45.9
85.06550	4.7
87.04451	3.2
91.05489	24.4
93.07052	87.2
95.05003	13.0
95.08618	48.1
97.02895	16.1
97.06549	10.8
98.97601	3.5
99.04459	7.3
101.05947	2.5
103.03944	3.9
104.38818	2.5
105.04523	3.0
105.07032	22.5
107.04951	7.7
107.08604	100.0
109.02899	8.0
109.06518	7.9
109.10174	11.8
111.04470	5.5
115.03922	4.8
115.74507	2.6
117.07036	4.2
119.08591	15.0
121.06532	6.4
121.10168	9.5
123.04430	4.5
123.08055	5.8
125.09627	3.8
127.03932	10.5
127.46130	2.7
131.04988	2.8
131.08553	9.0
133.05009	8.0
133.06435	3.0
133.10155	11.6
135.08072	7.7
135.11705	75.5
137.05983	6.1
137.09613	6.8
137.13258	10.0
139.07607	2.3
143.08575	4.1
145.04948	6.8
145.06531	4.2
145.10080	11.8
147.11754	13.5
149.13324	3.0
151.07542	4.6
151.11201	6.2
153.09088	2.7
153.12752	29.6
155.07027	2.6
157.10158	8.2
159.08080	3.8
159.11734	9.1
161.09660	4.6
162.05423	2.6
163.07657	2.3
163.11186	6.9
165.09102	4.1
165.12759	31.0
171.11719	3.4
173.09541	4.5
173.13281	2.7
177.12782	6.9
181.08632	6.8
187.11255	3.8
189.12810	4.5
193.12292	5.5
195.13933	3.4
201.12787	3.8
215.14449	5.0
219.13853	5.9
231.13858	3.7
237.14944	2.9
243.14024	3.2
261.14783	14.8
276.45465	2.7
279.15964	12.0
283.09567	2.6
297.16962	10.4
315.08307	2.5
315.12454	3.0
315.18100	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	315.1933
Annotation	E-64c
Peak:m/z	Relative Intensity
53.38989	0.2
55.05509	0.4
56.96567	0.2
61.45579	0.2
67.05504	0.3
79.05468	0.3
117.24342	0.2
133.10136	0.3
137.68787	0.2
141.02290	0.3
315.19318	100.0
315.34506	0.9
316.19650	0.8
330.67294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	0.7
56.96557	0.4
57.03439	0.7
58.67728	0.4
60.04515	0.5
61.02919	1.5
62.74008	0.4
64.94210	0.3
67.05502	1.0
69.03440	3.8
69.36589	0.3
69.81111	1.2
69.81511	0.5
70.06599	2.9
71.04993	0.8
72.08157	1.6
73.02901	1.0
79.05489	1.2
80.05017	0.7
81.03414	1.7
81.07050	2.3
82.06574	1.3
83.08629	0.4
84.04519	0.5
84.08164	0.6
85.02909	9.8
85.11967	0.4
86.09711	5.6
87.04472	1.0
87.05609	0.4
91.03968	0.3
91.05499	3.9
92.05829	1.0
93.05795	0.7
93.07045	1.7
94.06560	0.6
95.04990	0.6
96.08144	5.6
97.02901	3.7
98.97579	1.4
99.04438	0.5
105.03407	0.4
105.07037	0.5
106.06577	0.3
107.04951	0.7
108.08124	18.0
109.02885	1.3
109.06519	1.4
110.06061	2.5
110.09721	0.4
116.07098	4.7
119.04994	0.4
120.08137	0.3
120.45667	0.4
121.65625	0.3
123.04423	0.6
123.06814	1.3
123.08111	0.4
124.07600	18.6
126.09158	1.0
127.03951	1.7
128.10739	0.4
130.05023	0.4
130.06500	0.4
136.07582	13.5
137.05969	2.5
138.09134	0.7
139.03893	1.1
145.04924	1.1
154.08640	100.0
163.03951	0.5
164.04265	0.5
166.08636	1.2
173.12909	1.4
193.04967	0.4
196.09726	0.6
199.14349	0.5
199.18086	1.4
201.12460	0.7
220.09773	0.4
227.17529	0.7
270.12436	0.4
280.11682	0.4
298.12094	0.6
316.11023	0.9
316.14441	8.4
317.12140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
55.01878	7.7
55.05522	13.7
55.30529	2.1
57.03435	11.0
57.07080	3.2
61.02927	5.5
67.05508	18.2
69.03431	26.3
69.07069	12.2
70.04343	10.9
71.01354	3.9
71.05013	11.3
73.02911	7.9
79.05495	21.0
80.67451	2.2
81.03432	15.2
81.07062	41.7
83.04973	8.4
83.08622	3.5
85.02435	4.2
85.02911	61.4
91.03905	2.7
91.05485	19.5
93.07049	94.6
93.07639	5.4
95.04966	13.3
95.08608	40.1
97.02895	19.8
97.06535	6.8
99.04453	10.8
103.03934	5.5
103.98553	2.1
105.07037	36.5
107.08598	100.0
109.02896	6.2
109.06500	11.5
109.10154	11.4
111.04452	3.9
111.08091	5.1
115.03941	6.5
117.07014	7.0
119.06037	2.4
119.08603	25.2
121.06532	5.5
121.10143	13.5
123.04425	6.3
123.08064	6.3
123.11739	2.5
127.03912	10.6
129.05486	3.2
129.07001	4.2
130.07782	2.1
131.08609	13.0
133.04947	7.1
133.06516	4.0
133.10153	16.6
135.08093	6.0
135.10690	5.0
135.11702	89.6
136.38879	2.2
137.06029	2.9
137.09607	3.3
137.13287	7.3
142.07785	4.4
143.08574	9.0
145.04976	7.9
145.10118	14.4
147.08060	6.5
147.11710	12.6
149.09540	3.3
149.13182	3.3
151.11168	8.2
153.12775	24.1
155.08546	3.3
157.10123	10.0
159.08076	3.1
159.11684	14.5
161.09641	4.6
161.13264	4.2
163.11183	10.4
165.12762	41.7
167.06915	2.6
169.10172	3.5
171.11679	5.4
173.09625	4.3
173.13275	3.7
175.11234	4.3
177.12791	12.3
181.12259	3.9
187.11246	3.5
189.12761	6.1
193.12280	6.5
195.02882	9.1
197.13286	2.8
201.12805	4.2
207.13737	3.5
213.12819	2.8
219.13934	6.7
225.12877	2.8
231.13754	9.6
233.15448	3.7
235.16188	2.8
235.97249	2.2
243.13890	7.6
249.14830	7.7
261.14883	16.5
269.49661	2.4
279.15915	23.3
297.17023	16.6
315.17987	21.1
336.53851	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09772	0.3
64.33752	0.3
69.03420	0.5
70.58730	0.3
70.59072	0.7
85.02924	0.3
86.97264	0.3
98.21383	0.4
98.97565	0.3
105.03381	1.0
143.41666	0.3
153.05322	0.7
163.03938	0.5
185.04227	0.4
240.39346	0.4
264.91983	0.3
315.10513	100.0
316.10706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.105
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
50.31766	0.3
56.31207	0.2
70.54034	0.8
70.86069	0.2
72.40974	0.3
75.99309	0.2
86.13772	0.2
97.93530	0.3
98.20796	0.3
105.03383	0.5
124.26853	0.3
134.01680	0.3
138.78093	0.2
153.05176	0.3
185.04253	0.4
315.10498	100.0
316.10867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94398	0.3
53.03936	0.6
56.96553	1.5
57.03439	0.4
61.39391	0.4
67.05505	0.5
69.03410	1.2
70.06590	0.6
70.22868	1.6
71.05001	0.5
73.02931	0.6
79.05471	1.0
81.03410	1.0
81.07058	0.5
85.02897	1.6
86.09689	0.4
89.03902	1.7
89.33265	0.3
91.05482	2.9
93.07043	0.4
95.04943	1.3
95.08594	1.0
97.02895	0.7
98.97582	3.8
103.05486	0.4
105.03396	5.9
105.07030	0.8
107.04959	1.1
107.08581	0.6
107.41444	0.3
109.02890	0.4
109.10143	0.6
110.97549	0.9
111.04429	0.5
116.98632	1.2
117.03360	1.6
123.04437	0.8
124.99091	0.4
127.03934	0.6
128.98586	0.5
131.04933	0.6
134.99695	0.4
135.04416	2.7
135.09167	0.9
135.11647	0.6
137.05977	2.1
145.02824	1.2
147.04428	0.4
151.03859	0.6
153.01793	0.6
153.09085	0.4
153.10228	1.0
153.12761	0.6
158.99635	0.6
161.01308	0.5
161.05992	0.7
163.03920	10.5
164.04283	0.7
164.06982	0.4
165.05557	0.5
165.06946	0.6
170.99718	0.5
191.07140	0.5
194.08870	0.5
203.05290	0.8
210.68008	0.3
218.31030	0.4
219.01872	0.9
237.02737	0.9
255.10022	0.6
265.08670	0.7
283.09671	1.0
285.11191	0.4
293.09131	3.1
297.11353	1.1
315.14136	100.0
316.14597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
56.96555	1.6
57.03432	1.5
60.68416	0.6
61.02926	1.7
69.03425	4.5
69.90987	3.4
72.08182	1.2
73.02900	0.7
73.06559	53.7
81.03431	0.9
81.07063	1.2
83.20573	0.5
85.02906	12.7
86.30449	0.7
89.05490	1.2
89.06038	23.9
91.03970	0.8
91.05502	0.7
97.02892	3.2
98.21481	1.3
98.97591	1.9
105.03392	0.8
107.04959	1.3
107.08555	0.9
109.02892	1.9
116.07084	1.1
116.98602	1.0
117.09142	4.8
123.03322	0.6
127.03917	2.4
135.10170	100.0
136.10516	0.6
145.04945	1.7
152.01678	1.0
152.07037	4.3
153.56340	0.6
221.77411	0.7
236.00005	0.6
282.15112	0.7
314.09372	0.8
314.13425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53798	0.5
53.03943	1.4
55.01865	1.2
55.05519	0.9
56.96571	20.4
57.03435	2.2
57.07063	0.7
59.05007	0.5
61.01133	0.7
61.02928	2.8
62.06070	1.9
66.93168	0.5
67.05502	1.4
69.03437	7.6
69.38376	4.5
70.06598	3.4
70.98141	0.7
71.01365	0.8
71.05000	1.4
71.95279	0.7
73.02927	3.9
74.97608	1.7
79.05492	0.9
81.03437	2.8
84.08147	0.6
84.96046	3.5
85.02435	1.0
85.02912	14.4
85.06549	0.7
86.03243	0.7
87.04485	1.7
91.03951	1.0
91.05501	1.2
95.04989	1.3
95.06104	1.1
97.02903	44.3
97.06538	0.5
97.96821	0.6
98.21535	1.1
98.97589	24.8
99.04478	2.3
99.97961	1.0
101.02388	0.6
103.03952	0.8
105.03398	3.0
106.06569	0.9
107.04942	1.7
108.08127	11.4
109.02876	2.1
110.01302	0.6
110.97578	3.2
111.04455	1.2
112.07585	0.8
112.99149	2.2
115.03963	0.7
115.08735	1.0
116.07118	1.6
116.97841	0.8
116.98636	11.8
117.05510	2.2
119.01828	1.3
119.03522	0.7
119.04940	0.6
120.05333	0.5
123.04457	1.2
123.06814	1.8
124.07600	2.2
124.99144	0.9
127.03945	3.8
128.98625	4.1
129.02272	2.1
129.05484	1.0
131.00186	2.5
133.01799	0.7
134.06030	2.2
134.09636	4.5
134.99666	4.4
135.04382	0.7
135.06447	0.7
136.06200	100.0
136.07443	3.1
137.06004	1.1
139.03976	0.7
140.98637	0.7
141.02251	1.0
143.00183	1.8
143.01659	1.9
145.03503	0.6
145.04961	1.7
146.99681	1.9
147.03293	4.2
147.04439	2.0
148.04767	0.8
149.01256	0.6
152.05844	1.1
152.07068	9.7
152.10713	6.1
152.98637	0.7
156.03355	1.2
157.01729	0.7
158.99687	3.7
159.03302	3.3
159.04938	0.8
160.97543	0.8
161.01282	1.7
161.02817	2.1
161.04907	2.1
163.02751	0.8
163.03957	0.9
164.05675	4.4
164.06929	0.9
165.04327	1.1
167.00233	0.7
168.03612	0.9
168.05449	0.7
170.08037	0.6
170.99709	1.7
172.94385	2.0
174.99248	0.8
175.02838	0.7
176.05254	0.8
177.00739	2.2
177.04338	3.1
178.07265	2.0
178.98753	0.8
179.03735	1.6
185.01285	0.9
185.02985	0.7
186.04434	2.5
186.99202	0.7
187.02820	2.5
187.04427	0.6
189.00758	1.2
190.05470	0.7
190.95450	0.8
190.98674	0.7
192.96707	0.8
199.11938	0.9
201.00749	1.4
201.04387	1.2
203.02235	0.6
203.05780	0.6
204.05479	0.8
205.03853	5.6
211.02852	0.6
212.97003	0.7
219.01767	4.4
219.05286	1.0
221.55505	0.6
223.01277	0.7
223.04970	8.6
223.55650	1.3
224.06288	0.9
227.02313	0.7
229.03989	0.7
230.98207	2.1
231.01778	1.1
232.96523	0.8
233.08693	0.7
234.79466	0.6
237.02824	4.6
241.05980	0.9
245.03198	1.1
247.04887	1.2
248.99191	11.0
251.91322	0.6
261.03058	0.8
263.04617	1.1
267.00250	5.4
272.96021	2.0
273.02859	1.8
278.07132	0.8
282.02939	0.7
284.04996	1.5
290.94638	1.9
290.97089	2.6
291.00305	1.2
291.03830	4.7
296.08032	2.9
309.01401	1.3
309.05081	1.1
314.05768	1.0
314.09198	11.7
314.12360	15.4
314.16028	2.6
314.18704	1.1
315.07486	1.8
315.10562	3.5
332.06686	0.8
334.02344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31501	0.3
55.05515	8.5
57.03442	14.3
57.07078	53.6
61.24202	0.3
65.03954	0.4
67.05508	9.5
69.07069	9.6
69.07420	0.7
70.93541	1.1
71.04999	0.5
71.08635	30.7
75.04485	0.6
79.05505	1.0
81.07056	11.6
81.07529	0.7
83.04978	5.8
83.08622	10.2
85.06560	1.5
85.10184	17.9
89.06032	2.7
91.05502	0.5
93.07040	1.1
95.08610	16.7
97.06557	0.6
97.10171	5.2
97.33904	0.4
99.11752	0.8
101.06037	0.6
103.07576	2.3
107.08654	0.6
108.34743	0.4
109.10166	7.2
111.04442	5.7
111.08112	0.5
111.11737	1.3
117.09138	1.0
121.10174	0.5
123.11695	2.6
125.09663	0.6
125.13291	0.7
127.29065	0.4
135.11719	0.4
137.13274	1.7
144.98456	0.4
151.14822	0.7
173.42032	0.4
195.10191	0.6
221.22600	0.7
239.23694	3.5
249.48097	0.4
257.24789	4.4
271.59308	0.4
275.40430	0.4
298.27423	0.7
313.27368	100.0
314.27682	1.3
329.99136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91989	1.8
53.03939	2.8
53.48759	2.6
55.01867	6.6
55.05502	2.2
55.11915	1.9
56.96298	3.4
56.96567	49.3
57.03446	14.6
59.05000	3.6
61.02930	17.4
62.06079	5.8
63.58406	1.8
67.05516	4.0
67.48327	1.7
69.03428	18.8
69.07057	2.3
70.06580	5.0
70.46432	3.1
70.46789	5.3
71.01355	13.0
71.05003	9.1
73.02924	25.0
74.97620	4.2
75.04489	4.6
76.04014	9.3
79.05496	6.4
81.03425	5.9
81.07066	4.7
83.04972	2.3
84.96023	10.5
85.02912	45.4
86.62181	1.7
87.04446	5.0
90.05556	21.0
91.03930	3.1
95.04985	2.8
97.02898	26.5
97.06541	3.9
98.01345	1.7
98.97595	30.3
99.04466	26.2
101.00887	3.6
105.03435	2.9
108.08118	8.0
109.02880	5.5
110.01259	2.7
110.97563	7.7
112.99146	6.9
115.00675	2.3
116.98634	10.3
117.05500	100.0
119.01888	10.0
122.52831	2.0
124.07575	2.9
127.00707	2.5
127.03921	15.8
128.02321	3.8
128.98607	7.4
129.02278	15.1
129.03127	3.6
131.00140	4.5
131.01907	4.4
133.03526	2.4
134.06044	4.3
134.99660	4.7
136.06201	12.6
136.07637	3.1
137.05905	2.5
139.02499	2.3
141.02220	2.7
142.96504	2.8
143.00124	4.1
144.99840	4.5
145.03572	1.6
145.04930	10.9
146.99660	3.8
147.03307	27.2
149.01190	2.2
152.05835	3.3
152.07066	9.7
157.01729	2.5
157.03508	3.2
158.99658	6.3
159.03273	10.7
159.98567	2.4
160.97580	4.1
161.01245	2.9
165.04375	3.7
169.01645	3.3
170.99695	2.7
172.99318	4.7
174.99188	5.8
175.02760	3.7
177.00699	3.2
177.04390	9.7
178.98729	4.0
186.04417	5.1
187.00905	3.2
187.02773	6.9
187.04488	3.0
189.00713	3.9
189.04230	6.2
190.98688	4.5
191.00426	2.6
191.02246	3.3
193.00230	3.5
201.00702	4.3
201.04329	4.2
201.05960	3.4
205.00243	2.6
205.01985	3.8
205.03842	21.7
210.56300	5.8
213.03368	5.1
215.04066	4.4
218.06381	2.7
218.98160	12.6
219.01761	6.8
219.05383	4.5
223.04910	16.2
224.04378	4.9
224.06308	2.6
229.03891	2.2
230.98273	3.2
237.02788	5.5
245.03316	4.4
248.99176	9.2
263.04370	6.8
267.00168	4.3
273.02853	16.5
291.03946	17.3
296.07870	2.2
314.09290	3.8
314.12222	10.8
315.10437	4.9
320.86148	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
55.01875	7.1
55.05521	58.0
56.96544	6.9
57.03433	10.4
57.07078	100.0
67.05508	57.7
69.03458	6.1
69.07076	53.4
69.41328	36.2
71.08614	12.9
79.05486	27.9
81.07063	59.7
83.04986	85.8
83.08644	39.6
84.87664	5.3
85.06535	16.6
91.05497	28.1
93.07046	62.3
95.04981	5.9
95.08611	71.9
97.06547	12.2
97.10151	22.9
97.47527	6.1
99.53070	5.8
101.05972	6.2
104.10746	9.2
105.07011	17.8
107.08595	38.7
109.10165	42.5
111.04434	79.2
111.08120	6.6
111.11697	13.7
119.01876	6.0
119.08557	18.0
121.10155	46.7
123.08057	8.9
123.11720	13.9
131.08586	9.5
133.10135	23.9
135.11708	30.0
137.09604	9.6
137.37274	5.6
145.10112	9.7
147.11697	11.6
149.13341	9.4
149.54883	7.0
159.11671	14.9
160.49640	5.9
161.13280	18.8
175.14896	10.1
189.16443	6.8
195.10190	15.4
221.52422	6.6
231.21104	8.8
237.67569	5.3
249.22125	13.0
259.20679	9.9
277.21640	90.9
281.16736	32.0
281.66721	11.6
283.66995	7.4
292.67453	43.8
293.17786	10.2
295.22842	8.5
304.18512	7.8
313.18796	12.3
313.23782	67.5
313.27438	18.1
313.33069	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12428	0.4
53.75376	0.4
55.05509	5.6
56.96571	0.4
57.03157	0.6
57.03437	14.8
57.07076	42.0
67.05508	7.0
69.07068	7.6
69.51237	0.3
70.95842	0.8
71.04980	0.7
71.08632	27.5
71.40327	0.3
75.04494	0.5
77.84859	0.3
79.05473	0.5
81.06591	0.7
81.07055	11.2
83.04972	1.6
83.08152	0.4
83.08620	8.0
85.06542	0.5
85.10182	14.8
89.06024	2.7
93.07034	0.8
95.08608	16.3
97.06522	0.6
97.10168	4.5
99.11723	0.9
101.06045	0.5
103.07581	1.5
103.79060	0.4
105.03392	0.4
109.09464	0.6
109.10155	7.6
111.04462	0.8
111.11713	1.3
114.43195	0.4
117.09080	0.6
121.10126	0.5
123.11709	3.0
125.13242	0.5
137.13264	1.5
149.35123	0.3
151.14848	0.5
163.14748	0.4
187.86934	0.3
221.22639	0.5
233.25256	0.3
239.23691	3.5
257.24719	4.2
272.15369	0.6
281.15796	1.0
290.16428	1.2
290.66437	0.4
298.27414	0.5
301.67258	0.3
313.27353	100.0
314.27728	1.0
333.93378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1646
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
50.73160	0.9
53.03937	2.8
53.54704	0.9
55.01861	2.5
55.05505	3.1
57.03428	3.2
57.07075	1.6
59.04992	1.7
61.02932	1.3
65.25966	1.0
67.05508	6.8
67.05817	1.4
69.03431	12.3
69.07064	3.2
69.57725	1.8
69.58134	3.4
71.01359	2.5
71.04988	2.9
71.98232	0.9
73.02917	4.0
77.03913	1.3
79.05496	8.4
81.03412	6.6
81.07062	20.5
83.04981	2.1
83.18719	0.9
85.02914	11.5
85.06535	2.5
91.05485	17.2
93.07046	100.0
95.04987	4.8
95.08609	9.2
97.02899	9.8
97.06525	2.2
98.97621	1.1
99.04446	2.6
101.02363	1.1
103.03960	1.3
105.04500	1.2
105.07034	10.3
107.04938	1.3
107.08594	34.6
109.02888	2.7
109.06517	36.6
109.10162	13.5
113.02381	0.9
115.03935	3.1
119.06020	1.3
119.08612	4.7
121.10147	2.5
123.08122	1.2
123.11714	26.8
125.02366	6.0
126.78420	0.9
127.03918	5.4
131.08571	1.8
133.04977	7.6
133.06493	1.4
133.10132	10.0
135.08046	1.5
135.11694	61.9
137.05968	3.5
137.09595	1.0
145.04938	1.9
145.10091	1.5
147.04427	1.2
147.08064	1.0
147.11626	1.1
149.09656	1.3
151.03915	5.2
151.07599	1.1
151.11186	27.6
153.12741	3.9
169.09857	1.7
169.12234	3.6
189.08934	1.1
210.09650	1.0
219.13693	1.0
235.13240	0.9
247.13399	1.4
272.07886	1.0
277.14288	1.3
295.15378	9.4
309.69806	1.0
313.12747	1.6
313.16455	8.7
313.30847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15284	0.2
53.03942	0.5
55.01867	0.6
55.05506	0.3
56.96562	0.2
57.03444	0.4
59.53794	0.2
61.02922	0.6
65.03944	1.1
67.05505	1.4
69.03436	9.4
69.07078	0.3
69.22934	1.8
71.01360	0.2
71.05002	0.4
79.05489	0.5
81.03422	0.5
81.07076	0.9
85.02908	0.5
91.05480	0.4
93.03433	0.6
93.07040	0.7
95.01338	0.2
95.04968	0.6
95.08611	0.6
97.02907	1.0
97.06533	0.2
98.21616	0.3
98.97579	0.3
98.98475	0.5
99.04453	0.4
105.04556	0.3
105.07047	0.4
107.08626	0.4
108.02097	1.3
109.02881	0.8
109.10172	0.5
111.04462	0.7
112.01569	0.3
119.04954	0.2
119.08597	0.3
121.10119	0.5
123.04427	0.4
123.11747	0.3
125.06012	0.3
127.03919	4.6
135.08101	0.3
136.01555	0.4
137.05977	0.3
139.03891	0.2
141.05486	1.4
147.04463	0.5
149.06096	0.2
151.03917	100.0
151.04985	6.4
152.04262	0.6
157.10161	0.2
161.06041	0.3
165.07010	0.3
169.04945	1.1
175.82187	0.2
177.05504	0.4
182.38060	0.2
225.09213	0.3
235.05882	0.2
253.08653	0.3
267.04077	0.2
285.11227	0.2
295.08203	1.6
307.14230	0.2
313.09268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
53.77359	0.7
55.05516	37.9
57.07080	84.5
57.96676	0.7
69.03433	3.1
71.08635	0.9
71.16471	0.6
71.24004	1.3
83.04987	100.0
85.06551	9.8
96.38181	0.7
101.06052	1.1
111.04451	87.9
111.30161	0.7
129.05493	1.3
195.10187	14.6
213.11298	1.9
299.75153	0.8
313.16537	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	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01863	3.4
55.05513	2.1
56.96581	1.0
57.03436	5.2
59.05002	1.1
61.02927	10.9
67.50639	0.8
69.03426	16.2
69.07073	14.7
69.67091	4.7
71.04997	2.9
71.15956	0.8
73.02918	4.7
81.03429	8.8
81.07037	1.4
83.01341	1.1
84.08153	0.9
85.02907	100.0
86.09696	1.1
87.04454	2.9
87.08109	21.4
91.03979	6.9
91.05471	2.1
95.05000	1.5
97.02898	26.5
97.06528	1.4
98.97594	5.6
99.04465	4.8
103.03895	1.0
105.03400	11.0
105.09146	2.4
106.03719	9.4
107.08563	1.4
109.02890	8.5
110.97625	1.3
115.03912	1.4
115.07558	2.7
116.98645	1.6
127.03918	25.3
127.11217	0.8
131.04909	0.9
133.08606	7.2
133.10172	1.3
140.72475	0.8
145.04964	48.5
147.04427	1.6
150.05411	1.6
150.09070	1.7
151.03958	1.2
152.30037	0.9
158.39471	1.0
158.99644	1.7
162.05547	1.6
163.03842	1.2
163.06027	13.3
180.08661	1.8
181.05009	1.8
194.06999	2.5
222.06389	1.1
235.06239	1.8
237.02870	1.0
247.06053	1.2
250.10722	2.2
273.61203	0.8
293.09177	2.6
295.13684	1.8
312.11160	1.1
312.18292	1.7
312.32520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03922	0.7
55.01857	1.6
55.05514	40.2
56.85259	0.4
57.03441	16.0
57.07079	19.1
58.37464	0.4
67.05510	5.9
69.03426	0.5
69.07071	47.8
69.44771	2.0
69.45186	1.0
71.08631	12.4
73.02892	0.8
73.11991	0.4
79.05499	4.5
81.07059	7.9
83.04974	1.2
83.08622	37.8
85.06538	0.7
85.10186	5.7
90.50601	0.4
91.05486	0.5
93.07048	5.3
95.08612	5.9
97.06539	3.9
97.10175	28.2
98.21480	0.9
99.08057	0.5
107.08604	4.7
109.10158	2.8
111.08083	2.2
111.11719	9.1
115.07578	0.5
121.10156	4.3
123.11745	1.1
125.09622	1.3
125.13252	1.7
135.04437	0.6
135.11697	4.0
137.13268	0.8
139.11168	1.6
139.14796	0.5
148.78842	0.4
149.13245	2.3
153.12730	0.5
163.14807	0.6
167.14323	0.5
177.16429	0.6
187.36394	0.4
209.11736	1.3
219.21022	0.8
237.11211	1.1
237.22157	1.0
279.24976	0.5
311.25812	100.0
312.26306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26449	0.9
51.92324	1.0
53.03941	3.3
55.01868	2.1
57.03434	4.1
61.02936	11.8
69.03427	16.0
69.07071	15.5
71.04983	3.6
71.24998	1.5
73.02925	4.2
73.06564	2.2
75.19893	1.0
81.03435	6.4
85.02912	100.0
87.04459	3.3
87.08119	11.0
91.03956	7.7
95.91489	0.8
97.02900	23.7
97.06558	1.1
98.97581	1.3
99.04465	3.7
105.01859	1.0
105.03403	13.3
105.09161	2.5
106.03732	11.2
109.02879	7.4
113.09650	0.9
115.03934	1.0
127.03928	26.1
133.08630	6.9
145.04968	53.1
150.05527	2.0
157.80833	1.0
163.06046	14.9
163.27243	0.9
180.08743	1.7
233.42542	0.9
295.13773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34441	1.0
53.03934	4.8
56.96546	1.2
57.03445	5.3
60.04512	1.9
61.02942	1.9
67.37248	1.0
68.47610	1.1
69.03433	35.3
71.04994	27.5
73.02924	2.8
81.03422	36.6
81.32520	1.1
85.02909	48.9
85.42333	1.1
87.04469	3.5
89.06027	15.6
91.05466	1.8
91.28828	1.0
92.88794	1.3
97.00631	1.0
97.02312	1.3
97.02901	23.2
98.97579	4.1
99.04456	7.4
99.94252	1.1
105.03386	2.8
105.07053	1.5
106.03728	2.6
107.04961	5.9
108.04461	1.4
109.02885	36.3
111.04559	1.2
115.03918	4.3
120.08124	1.4
124.07461	1.2
127.02971	2.4
127.03925	42.8
133.04974	4.7
137.05994	2.3
138.06331	1.9
140.37109	1.2
144.06546	1.6
145.04980	18.4
150.07581	3.1
151.03955	2.0
158.99625	1.3
161.08099	1.4
162.07631	3.1
167.07053	1.8
188.07840	1.4
197.08078	4.9
215.09158	81.9
222.08339	4.2
233.10211	100.0
264.33871	1.1
277.12781	1.4
312.13077	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03952	5.0
55.01876	7.5
55.05502	15.0
57.07078	29.8
67.05505	41.7
69.07068	14.2
71.04988	7.3
79.05496	23.3
81.03424	5.1
81.07060	34.9
83.04974	14.1
83.08612	5.1
91.05494	27.6
93.07050	27.8
95.04950	9.2
95.08617	52.4
97.06539	5.6
105.07029	30.7
107.08614	14.2
109.02891	4.2
109.10154	26.1
111.04454	18.9
111.08099	5.8
117.07023	7.5
119.08578	20.3
121.06484	4.4
121.10130	20.2
123.08081	11.3
123.11739	4.1
125.06025	6.7
131.08574	14.3
133.10126	25.0
135.08046	6.4
135.11728	5.4
137.09642	6.8
139.11211	14.5
142.72639	2.8
145.10112	12.4
149.09642	12.6
151.11223	5.0
153.05481	19.3
157.10162	6.7
159.11690	7.0
163.11223	7.7
169.10170	5.5
171.11641	4.3
173.11751	13.0
173.13239	5.3
181.04929	4.2
181.12288	5.9
183.11765	3.6
191.10718	10.9
209.11746	100.0
224.65712	4.2
237.11235	98.4
239.17883	7.2
251.20045	4.0
255.12296	24.3
257.19174	7.2
258.45688	3.3
275.20059	41.3
293.17505	11.9
293.20963	9.4
311.18665	8.7
311.24567	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.02389	2.4
53.03945	4.5
55.01877	66.9
55.05516	42.1
57.03436	6.2
57.07082	23.8
59.91211	2.2
66.79624	2.4
67.05168	4.3
67.05506	44.9
69.03413	4.9
69.07079	21.2
69.28165	16.6
69.28587	5.5
71.04989	3.4
71.08633	5.5
73.91268	2.5
79.05490	27.3
81.03418	11.0
81.07060	42.9
83.04986	9.1
83.08611	10.2
85.06543	4.4
91.05490	24.1
93.07043	28.7
95.04979	16.1
95.08610	30.4
97.06546	6.0
97.10179	13.3
99.08084	8.2
105.07021	12.0
106.45178	2.3
107.04963	14.5
107.08591	16.4
109.06516	9.4
109.10173	18.5
111.04449	7.4
111.08096	4.2
117.07015	8.4
119.08589	17.1
121.06514	6.0
121.10148	13.7
123.08046	7.9
123.11713	5.1
125.06001	4.1
125.09637	100.0
125.10583	4.7
131.08565	6.8
133.10165	13.1
135.08057	10.7
135.11687	6.5
137.09596	16.4
139.11209	3.2
145.10100	7.0
147.08080	3.1
147.11664	3.8
149.09639	6.8
149.13258	8.1
151.11177	19.4
153.05511	5.4
153.12830	4.1
155.08583	4.1
159.11684	5.8
161.09668	3.3
163.11215	6.9
165.12741	5.0
169.12294	2.9
171.11754	2.8
177.12756	20.8
181.12245	11.6
191.10696	3.1
191.14223	12.5
195.13849	8.0
201.16495	4.4
209.11746	28.1
218.47824	2.5
229.19560	5.3
237.11143	21.1
238.22276	2.5
247.20593	8.4
255.12335	6.6
257.18976	11.5
265.21692	3.7
275.20065	37.7
293.17816	4.1
293.21133	40.1
311.17685	17.8
311.22171	5.7
311.25803	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	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.05513	57.2
57.03428	16.2
57.07082	37.8
65.03927	5.6
67.05511	44.3
69.07075	84.5
69.26919	5.5
70.70158	14.5
71.04988	8.2
71.08639	9.3
72.08167	8.0
79.05506	24.1
81.07057	56.3
83.04996	7.0
83.08624	48.1
91.05496	40.6
93.07052	100.0
95.04979	55.9
95.08612	90.5
97.06564	34.2
97.10189	25.8
105.07034	71.8
107.08604	51.9
109.06506	11.3
109.10165	34.8
111.04485	4.9
111.08115	5.9
111.11716	11.6
117.07007	21.2
119.08598	78.2
121.06518	21.9
121.10148	59.1
123.08098	23.7
123.11719	17.9
129.07069	6.3
130.07745	5.6
131.08585	30.2
133.10153	38.2
135.04448	19.4
135.08087	23.7
135.11707	23.4
137.09608	6.7
137.13248	8.1
142.07785	9.8
143.08582	15.7
145.10141	35.0
147.11693	22.6
149.09641	7.4
149.13295	11.1
155.08553	8.2
157.10158	26.4
159.08157	5.6
159.11694	51.8
161.09625	29.4
161.13268	12.9
169.10158	12.6
171.11752	15.6
173.13332	13.3
175.14851	11.1
177.16370	26.1
183.11728	8.4
185.13289	8.8
187.14815	6.0
189.16348	16.4
191.17928	5.5
195.11952	4.5
197.13333	6.5
201.16367	9.7
209.11732	23.1
209.13460	7.9
211.14795	11.5
213.16313	7.4
215.17915	10.9
219.17468	5.4
223.14870	5.8
237.11279	28.1
255.12303	8.3
255.21291	5.5
293.22672	8.4
311.16345	5.8
311.26337	69.7
311.31464	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03960	0.9
55.01863	4.1
55.05517	6.0
56.96555	1.5
57.03443	1.4
57.07077	28.2
65.03925	1.0
67.05503	14.6
68.99788	1.7
69.03437	2.9
69.07069	7.2
70.19009	0.8
70.64713	1.6
70.65042	1.0
71.04988	3.7
71.08633	2.6
79.05492	9.5
81.03416	2.4
81.07059	18.5
83.04979	9.4
83.08598	2.7
85.02902	6.1
85.06545	1.8
91.05497	7.8
93.07041	9.5
95.04967	5.8
95.08611	12.2
97.02879	1.3
97.06547	3.6
98.97574	1.3
99.08079	3.6
101.02366	1.1
105.07029	8.5
107.04980	5.0
107.08591	9.4
109.02878	5.2
109.06522	2.9
109.10170	14.5
111.04442	21.5
111.08106	3.6
117.07045	1.7
119.08609	5.2
121.06538	1.0
121.10125	5.7
123.08094	2.7
123.11716	1.9
125.02416	0.9
125.06017	6.6
125.09593	0.9
129.07004	1.0
131.08589	3.4
133.10139	13.0
135.04405	3.6
135.08047	1.4
135.11731	2.6
137.09593	2.8
139.11136	1.1
141.09093	1.6
145.10141	4.3
147.11697	1.6
149.02361	1.4
149.09647	3.4
149.13255	1.9
151.11189	8.3
153.05475	19.2
155.10620	4.7
159.11734	2.1
163.03880	1.6
163.11203	5.7
169.12215	1.6
175.11169	1.4
181.04939	3.6
181.12247	7.6
185.26845	0.9
187.71689	0.9
191.10683	13.0
193.05003	2.8
195.13846	2.5
209.11734	100.0
210.12064	1.0
223.13293	2.0
229.19531	1.2
237.11215	80.8
251.20073	2.9
255.12260	25.1
255.14719	1.7
257.19171	1.5
275.20105	13.6
275.34546	0.8
293.17493	8.8
293.21121	16.1
311.18643	9.6
311.21887	2.6
311.24646	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.02371	1.7
53.03946	5.6
55.01875	64.7
55.05511	44.5
56.96558	1.6
57.03433	5.2
57.07078	12.2
63.27900	1.4
67.05505	45.8
67.44549	1.3
69.03431	4.0
69.07068	23.8
71.04999	4.2
71.08652	6.8
79.05495	28.5
81.03416	12.6
81.07055	44.3
83.04995	10.5
83.06107	1.6
83.08617	14.9
85.06553	2.6
91.05482	27.9
93.07043	27.7
95.04971	17.1
95.08611	35.2
97.02897	2.8
97.06517	7.1
97.10171	13.4
99.08093	4.0
105.07030	16.8
107.04951	18.1
107.08600	18.4
109.02855	1.5
109.06513	8.2
109.10156	22.4
111.04446	11.1
111.08089	3.8
111.11716	1.8
113.09648	1.5
117.07002	7.9
119.08582	17.0
121.06509	6.4
121.10139	14.9
123.08087	5.5
123.11715	5.1
125.05990	5.1
125.09630	78.6
129.07001	3.1
131.08574	9.2
133.02849	1.5
133.06503	2.1
133.10132	15.5
135.04420	100.0
135.08029	10.1
135.11688	7.4
137.09622	18.8
139.11177	3.8
141.09113	2.7
145.06473	3.8
145.10098	10.7
146.07288	2.8
147.08018	2.3
147.11696	5.2
149.09633	6.8
149.13252	5.1
151.11185	19.6
153.05511	3.2
153.12762	3.3
157.10274	1.4
159.08113	1.8
159.11732	6.2
161.09610	45.6
161.13307	2.8
161.96214	1.3
163.11166	8.9
163.14775	2.3
165.09126	2.2
165.12706	3.2
167.10683	3.5
169.10106	3.0
169.12230	3.7
173.09552	2.2
173.13269	4.4
175.11319	1.4
177.09160	1.6
177.12711	16.6
179.10617	2.2
179.14272	1.3
181.04893	1.6
181.12273	9.2
183.11824	1.5
187.11218	2.8
189.12862	1.8
191.10684	3.3
191.14313	6.1
193.12212	2.9
195.13818	6.7
201.12799	2.0
205.12279	2.7
209.11719	21.5
209.15463	1.6
215.17952	1.4
229.19547	4.7
229.32536	2.0
237.11203	15.4
247.20549	12.0
255.12297	4.1
257.18982	11.4
265.21594	3.3
275.17795	1.1
275.20081	37.8
293.17819	2.5
293.21094	47.1
311.16171	3.5
311.22232	1.8
311.25766	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	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03934	0.4
55.01873	0.8
55.05271	0.5
55.05515	7.1
57.03424	0.6
57.07080	1.8
58.07384	0.3
67.05508	7.4
68.72874	0.3
69.03415	0.7
69.07079	2.5
69.42222	2.1
71.04990	0.6
71.08635	9.6
79.05500	4.8
81.03421	0.6
81.07063	7.1
83.04972	1.0
83.08609	2.8
85.06556	0.4
91.05485	3.6
93.07050	3.4
94.76332	0.4
95.04957	2.4
95.08605	4.5
97.06524	1.2
97.10167	4.7
98.21545	0.6
99.08110	4.7
99.40451	0.3
105.07033	3.4
107.04943	1.9
107.08604	3.4
108.05759	0.6
109.06503	1.8
109.10140	1.6
109.40632	0.3
111.04436	1.4
111.08057	0.7
117.07002	1.0
119.08576	1.3
121.06519	2.8
121.10157	1.7
121.14125	0.3
123.08076	0.4
125.09647	2.8
127.28352	0.4
131.08611	1.7
133.10104	1.9
135.08047	0.8
135.11700	1.0
139.11206	0.5
143.08575	0.6
145.10123	1.5
147.11705	1.0
147.29422	0.3
149.09668	0.5
149.13268	0.7
151.11186	1.1
153.05472	1.0
155.54750	0.3
159.11739	0.9
161.09587	0.5
163.11189	0.7
164.11931	0.4
165.12756	3.1
167.10709	0.4
173.11787	0.3
177.12769	1.2
181.12311	0.4
189.11258	1.3
191.10674	1.0
191.14426	0.5
195.13878	0.7
209.11781	4.8
237.11195	4.2
247.20508	0.6
255.12299	1.3
265.21530	0.6
275.20108	6.7
293.21118	100.0
294.21487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03944	4.7
55.01877	23.8
55.05516	24.4
55.43964	1.4
56.96561	1.8
57.03431	5.1
57.07083	11.9
67.05511	51.1
69.03422	4.4
69.07078	20.1
70.78865	3.2
70.79230	1.7
71.04984	5.0
71.08624	4.6
71.95288	1.3
79.05502	20.0
81.03435	11.3
81.07060	32.7
83.05000	9.6
83.08603	7.3
85.06538	3.4
85.10190	3.4
89.15395	1.5
91.05479	18.1
93.07056	26.9
95.04970	8.9
95.08612	100.0
97.06537	8.8
97.10163	7.0
99.08102	3.1
105.07032	11.9
107.04953	5.8
107.08610	12.3
109.02892	2.3
109.06521	4.1
109.10170	19.2
111.04456	6.8
111.08067	4.5
113.06009	2.3
113.09644	3.1
117.07013	6.3
119.08602	10.8
121.06532	3.6
121.10143	11.7
123.08066	4.8
123.11700	3.1
125.09639	27.1
131.08586	5.1
133.10121	6.5
135.04378	2.2
135.08058	4.6
135.11697	5.9
137.09676	7.0
139.11165	2.8
141.09119	12.9
145.10112	5.3
147.11641	2.8
149.09633	3.5
149.13301	3.2
151.11203	9.4
153.05481	5.6
153.12706	1.6
159.08948	3.1
159.10191	39.3
159.11562	3.7
161.09637	2.5
161.13271	3.3
163.11156	3.9
163.14899	3.5
165.12753	4.9
167.10672	6.2
169.10100	2.2
173.11749	1.6
173.13229	3.0
177.12729	6.2
179.10683	1.7
181.12227	4.1
191.10710	4.8
191.14345	1.8
195.13855	2.6
201.16428	2.4
209.11743	32.9
219.10225	1.9
223.13086	1.7
229.19551	2.4
237.11217	21.9
247.20625	3.7
255.12320	7.1
257.19049	4.5
265.21652	76.5
275.20044	13.9
293.17838	2.3
293.21127	16.5
311.18973	2.0
311.22241	14.3
311.25610	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1491
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.02384	0.7
52.27822	0.7
53.03949	5.6
55.01874	1.9
55.05516	4.9
56.96562	1.0
57.03437	5.2
59.04992	1.1
61.02925	1.4
67.05509	4.9
69.03083	1.4
69.03436	21.2
69.07076	2.6
69.29289	4.0
69.29710	2.3
71.04991	2.3
73.02914	2.3
74.49529	0.7
75.04481	2.2
77.03941	0.9
78.12643	0.7
79.05497	32.2
81.03423	20.3
81.07053	7.0
83.04987	1.1
83.08643	0.7
85.02908	14.7
91.05489	20.8
93.07050	100.0
94.07391	0.8
95.04973	5.2
95.08615	5.5
97.02888	6.8
97.06513	1.1
97.10158	0.8
98.97599	1.6
99.04463	2.8
103.05495	2.1
105.04515	1.3
105.07031	14.0
106.07809	0.8
107.04956	3.1
107.08600	22.9
109.02882	9.9
109.06538	1.8
109.10181	3.5
111.04437	1.5
111.08108	2.1
115.05509	0.7
116.06236	1.0
117.07017	1.6
119.04939	3.3
119.08587	18.7
120.05308	1.2
121.02982	0.7
121.05683	0.9
121.06536	4.0
121.10150	92.3
123.08085	2.2
123.11719	1.7
125.06026	1.0
127.03906	8.0
129.07018	1.7
131.08566	10.2
133.07584	1.2
133.10123	2.6
135.11752	1.0
137.05969	2.7
139.11159	1.3
145.04993	1.5
145.10149	2.8
147.04420	12.0
147.11691	1.1
148.04729	4.1
149.04958	4.7
149.09627	34.5
159.08205	0.8
163.11191	1.1
167.10680	8.4
173.09598	0.9
187.11259	1.0
188.77039	0.8
191.08656	0.9
191.10730	1.0
198.10284	1.0
219.08084	0.8
251.10626	1.2
270.43048	0.8
275.09558	0.7
279.10104	0.8
283.15472	1.3
293.13837	8.1
311.15292	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
54.54190	0.8
55.01883	1.9
55.05510	6.7
57.03437	4.5
58.15914	0.9
61.02913	1.3
65.03938	1.1
67.05508	5.9
69.03093	1.1
69.03437	16.5
69.07071	1.3
69.59462	3.2
69.59866	2.8
70.85362	0.9
71.04984	2.8
73.02900	1.0
75.04479	2.1
77.03901	1.5
79.05501	42.3
81.03414	12.0
81.07048	5.4
83.04980	2.8
85.02910	16.2
87.04485	1.5
91.05486	18.2
93.07048	100.0
95.04971	10.0
95.08612	6.4
97.02911	6.7
97.06500	1.7
99.04457	3.5
103.03929	1.5
103.05449	2.4
105.03400	1.0
105.04535	1.6
105.07032	18.6
107.04955	7.1
107.08602	27.9
109.02877	6.3
109.06506	3.6
111.04440	1.1
111.08081	2.8
117.07024	2.8
119.08591	16.7
121.06500	2.8
121.10150	92.9
123.08072	3.6
125.05934	1.2
127.03896	5.8
129.07030	1.4
130.06548	6.5
131.08624	5.2
133.02841	1.6
133.06514	1.5
133.10115	5.3
135.08136	0.9
135.11685	1.8
136.07539	1.7
137.05969	4.0
139.11154	1.0
143.08601	1.4
145.04900	1.3
145.10091	3.1
147.04404	3.9
147.07941	1.1
147.11697	5.8
148.04660	2.2
149.05032	1.8
149.06017	1.5
149.08534	1.6
149.09624	14.5
153.06880	1.1
159.08073	1.8
161.05960	1.1
161.09610	1.9
161.13232	2.6
163.11176	1.7
164.06587	1.0
167.10689	9.0
175.11243	1.1
187.07587	1.6
189.09180	1.4
189.12694	1.4
191.08624	2.2
191.10631	2.2
203.10716	1.0
206.09489	1.0
215.70094	0.9
216.40860	0.9
219.08170	1.8
227.07283	1.1
234.09126	1.6
247.13248	1.0
249.09129	1.1
251.10641	4.0
279.10098	1.3
293.13956	5.4
294.11292	5.1
311.09335	1.9
311.13110	14.8
311.18069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.61655	8.5
55.05510	36.4
57.07072	16.6
58.95676	6.5
59.05017	9.6
67.05509	87.8
69.07071	21.6
71.05003	12.7
71.07547	15.5
72.02102	7.7
79.05491	31.8
81.07056	59.0
83.04982	14.4
83.08626	13.6
91.05480	100.0
93.07037	72.4
95.05035	9.5
95.08617	47.4
97.10156	18.7
105.07051	86.1
107.08604	33.2
109.10148	54.7
111.04462	10.5
117.07005	38.5
119.07283	7.3
119.08576	50.0
121.06544	9.3
121.10140	50.9
125.09589	11.5
129.06995	15.4
131.08565	49.8
133.10143	95.1
137.09634	10.7
139.11194	21.6
145.10176	22.3
147.11720	27.5
149.09683	21.1
155.10690	17.3
157.10146	12.1
159.11748	20.2
163.11110	12.8
171.11595	11.8
173.11746	43.0
173.13269	21.3
183.11681	16.5
191.10735	10.8
209.11784	39.9
235.17041	9.2
237.11205	55.8
239.17990	26.8
257.19034	22.0
275.20087	97.1
293.21027	17.8
311.24713	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03939	1.0
55.01862	2.0
55.05302	0.8
55.05517	7.4
57.03421	0.7
57.07074	2.6
67.05510	12.5
69.03427	0.9
69.07064	2.6
71.05004	1.2
71.08636	9.7
79.05495	6.9
81.03400	0.7
81.07060	10.4
81.15813	0.7
81.58602	0.7
83.04986	2.1
83.08628	5.1
85.06546	1.0
91.05486	4.3
93.07051	6.3
95.04953	2.3
95.08620	4.9
97.06527	1.5
97.10181	4.9
97.74313	0.7
99.08103	5.9
100.95766	0.7
105.07050	4.2
107.04958	2.2
107.08599	5.9
109.06510	1.9
109.10173	4.3
111.04446	1.4
111.08078	0.9
117.07027	1.3
119.08577	1.8
121.06495	3.1
121.10159	2.1
123.11739	0.9
125.09631	3.8
131.08585	2.5
133.10135	1.9
135.08046	1.3
135.11694	1.4
139.11192	1.2
145.10091	1.6
147.11740	1.1
149.09569	0.8
151.11154	1.2
153.05498	1.1
155.10641	1.4
159.11700	1.8
163.11266	1.1
165.12761	3.1
173.11812	1.3
177.12715	1.1
183.87868	0.7
189.11246	2.0
191.10619	0.6
209.11728	6.0
209.15717	0.6
228.98929	0.6
237.11203	5.5
255.12344	1.2
257.19049	1.3
265.21823	1.6
275.20087	7.5
293.21124	100.0
294.21585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03942	4.6
55.01876	1.2
55.05513	4.8
57.03441	3.7
59.05007	0.5
61.02932	1.0
65.03934	0.7
65.39294	0.4
66.48016	0.4
67.05502	2.8
69.03429	16.2
69.07074	0.8
69.45631	3.0
71.01354	0.7
71.04989	1.8
72.20702	0.4
73.02915	1.2
75.04485	1.6
77.03934	1.0
79.05492	37.3
81.03418	14.9
81.03769	0.4
81.07049	4.8
84.17561	0.4
85.02905	12.9
87.04475	1.3
91.05482	18.9
93.07044	100.0
95.04973	5.8
95.08604	3.6
97.02900	4.8
97.06520	1.0
98.98407	0.5
99.04433	2.4
103.05471	1.7
105.00037	0.4
105.04528	1.9
105.07030	10.3
106.07832	0.5
107.04966	1.7
107.08595	27.3
109.02879	6.5
109.06554	0.9
109.10157	0.9
111.04507	0.7
111.08113	2.5
116.06252	0.8
117.07039	0.9
119.04921	0.7
119.08590	6.7
121.06500	1.9
121.10144	78.6
122.10482	0.5
123.08068	1.0
123.11726	1.0
125.05976	0.6
127.03907	4.8
129.07001	1.1
130.07683	0.5
131.08569	7.0
133.06572	0.5
133.07629	0.8
133.10118	2.4
135.08127	0.5
135.11731	0.7
137.06044	0.7
139.11179	1.6
145.04935	0.8
145.10143	1.5
147.04449	2.3
147.08147	0.7
148.04715	0.8
149.04962	1.0
149.09618	19.5
157.10164	0.6
161.09555	0.7
163.11208	0.9
167.10675	5.8
170.22519	0.4
173.09729	0.4
173.13361	0.4
175.11153	0.6
183.11699	0.5
187.07449	0.4
191.10698	0.5
237.49957	0.4
283.15466	0.5
293.13818	5.0
295.64795	0.5
311.15036	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	311.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.7
51.62427	0.6
53.03548	0.5
53.03957	5.2
55.01878	1.8
55.05512	4.4
57.01439	0.6
57.03444	4.3
59.05015	0.7
60.58787	0.5
61.02911	1.3
65.03951	0.8
66.04798	0.6
67.05514	2.4
69.03436	22.6
69.07072	1.0
69.43117	4.2
71.01342	0.7
71.04995	2.1
73.02917	1.8
75.04494	1.9
77.03935	1.6
79.05498	38.2
79.74502	0.6
81.03423	23.6
81.07054	4.8
83.04987	0.9
85.02431	1.0
85.02914	12.9
87.04450	0.8
89.94836	0.6
91.03981	0.6
91.05489	19.8
93.07051	100.0
93.63499	0.5
94.11369	0.5
95.04983	5.9
95.08612	2.7
97.02903	9.9
97.06590	0.7
98.20745	0.8
99.04453	3.5
103.05474	1.6
105.04546	1.3
105.07039	12.0
107.04958	5.2
107.08607	26.6
109.02884	10.7
109.06532	1.8
111.04472	1.0
111.08074	3.4
115.05459	0.9
116.06240	1.2
117.07048	1.6
119.04972	0.6
119.08591	18.2
121.06525	2.4
121.10153	92.3
122.10514	0.6
123.04330	0.6
123.08044	1.7
127.03919	6.5
129.07013	1.1
131.08592	6.1
133.06479	0.6
133.07632	0.8
133.10153	1.5
137.05975	4.4
139.11192	1.7
143.08530	0.7
145.04968	1.6
145.10172	1.2
147.04433	1.8
147.08070	0.8
147.11766	1.3
149.04959	0.7
149.09627	22.6
159.08058	0.8
161.09621	1.3
163.11182	0.9
167.10680	9.9
175.07527	0.9
179.01357	0.6
187.07547	1.3
187.11156	0.8
191.10614	1.1
219.08112	1.3
247.07553	0.7
251.10652	1.1
279.10175	1.2
283.15207	0.7
293.13879	11.7
311.12244	1.2
311.15009	2.8
311.18161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1489
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.02369	0.7
53.03944	5.0
55.01873	1.9
55.05513	3.2
57.03435	4.8
59.04958	0.6
61.02916	1.4
67.05501	2.8
67.98723	0.6
69.03431	21.5
69.44112	4.7
71.05000	1.9
73.02901	1.6
75.04473	2.1
77.03925	1.0
79.05494	30.5
81.03421	22.9
81.07051	4.4
85.02905	15.0
87.04459	1.3
89.35440	0.7
91.05482	20.1
93.07045	94.0
95.04970	4.9
95.08586	3.6
97.02890	6.8
97.06485	0.9
98.20711	0.7
99.04451	3.2
103.05469	1.9
105.04505	1.5
105.06310	0.8
105.07029	16.4
106.07827	1.3
107.04955	2.8
107.08595	19.2
109.02885	8.5
109.06548	2.1
109.10184	0.7
111.08089	2.5
116.06207	1.7
117.06960	1.2
119.08578	14.2
121.06520	3.0
121.10144	100.0
122.10462	0.9
123.08077	2.0
123.11691	1.0
127.03929	6.0
129.06996	1.3
131.08578	10.5
133.06516	0.9
133.07600	1.8
133.10127	4.3
135.08084	0.8
135.11693	0.9
137.05968	1.0
139.11159	2.2
143.08624	0.9
145.04985	1.5
145.10109	1.5
147.04440	1.0
147.08043	0.9
148.04765	0.8
149.09619	38.7
161.09549	0.9
163.11179	1.0
167.10681	7.9
188.55400	0.6
191.10704	1.0
221.90164	0.6
251.81110	0.6
283.15363	0.8
293.13831	12.2
311.15009	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32635	0.9
52.16233	0.8
53.03954	5.6
55.01860	1.8
55.05518	5.2
56.96571	2.2
57.03442	5.1
59.04973	1.1
67.05508	5.3
69.03428	18.0
69.07063	1.9
69.21929	9.8
71.01380	1.1
71.04984	2.2
73.02897	1.2
73.45176	0.9
75.04477	2.8
77.03934	1.4
79.05493	35.1
81.03426	12.2
81.07058	8.2
85.02914	13.4
91.05489	19.9
93.07048	100.0
95.04973	11.2
95.08628	6.1
97.02897	6.1
97.06531	1.6
98.97582	1.4
99.04453	2.9
103.03971	2.7
103.05461	1.5
105.03382	7.3
105.04518	1.9
105.07031	13.9
107.04939	8.2
107.08603	28.0
109.02889	5.9
109.06515	2.7
111.04444	1.4
111.08095	3.0
113.96840	0.9
115.05385	0.9
117.06983	1.4
119.08591	17.0
121.06502	3.8
121.10147	95.2
123.04436	1.1
123.08057	1.4
125.06010	1.6
125.09595	1.6
127.03872	5.3
129.07022	1.8
131.08554	6.8
133.06441	1.0
133.10133	4.3
135.11723	1.7
137.06006	1.3
139.11206	1.6
143.08485	1.2
144.86644	1.0
145.04974	1.7
145.10135	4.4
147.04427	5.0
147.08000	1.2
147.11703	1.1
148.04745	2.4
149.04968	3.3
149.09624	16.3
153.05571	1.0
161.06006	1.1
161.09642	2.2
163.11169	2.1
167.10677	9.7
183.11690	1.2
185.01073	1.0
187.11128	1.0
189.09128	1.3
191.10657	3.2
201.09192	1.1
238.53355	0.9
260.14725	1.0
275.12866	1.3
283.15411	1.4
289.07480	1.1
293.14029	5.5
311.05441	1.3
311.15094	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1488
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.02382	0.7
52.18082	0.7
53.03951	4.3
55.01860	1.8
55.05510	1.7
57.03434	5.6
61.02918	2.7
65.01548	0.7
65.03945	0.9
65.45138	0.6
67.05499	2.7
68.32857	0.7
69.03433	19.8
69.07056	0.7
69.62196	0.7
70.89994	0.7
71.04995	1.7
71.25036	0.7
71.56653	1.0
73.02907	1.9
75.04469	0.7
76.47092	0.7
78.94399	0.7
79.05495	20.8
81.03421	14.8
81.07043	2.5
85.02907	50.2
87.04468	1.4
91.03905	1.1
91.05480	16.6
93.07045	64.1
95.04979	3.6
95.08601	2.1
97.02895	9.5
97.06554	1.1
98.97607	0.8
99.04467	2.7
103.03942	1.4
103.05477	1.6
105.07043	11.8
107.04964	6.4
107.08595	14.3
109.02885	9.8
109.06519	10.2
111.08039	1.2
115.03954	0.8
115.05428	1.1
116.06258	1.5
119.08596	4.9
121.06512	38.7
121.10144	54.9
123.08076	1.8
123.11718	0.8
127.03914	12.1
129.07022	1.1
130.06535	2.1
131.08568	7.2
133.02820	1.8
133.06548	1.1
133.07597	1.1
133.10129	2.0
135.08086	1.3
137.05980	2.8
145.04970	3.5
145.10136	1.1
146.06021	1.0
147.04411	2.8
147.05539	0.8
149.09624	100.0
155.08629	0.9
159.08073	2.6
161.06021	1.7
161.09595	2.6
163.11186	0.8
167.10693	3.3
173.09639	3.4
185.09644	1.0
185.38910	0.9
191.08554	1.0
191.10629	1.1
215.10619	0.8
219.07988	0.8
238.25266	0.9
251.10686	1.1
279.10239	1.6
293.13962	5.4
294.11270	3.3
309.54605	0.7
311.09348	1.3
311.15469	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
51.02370	1.3
53.03932	2.8
54.62432	0.9
55.01865	2.4
55.05507	1.5
55.31501	0.9
57.03434	1.0
59.04982	1.4
67.05489	2.3
69.03439	5.2
69.07044	2.2
69.73539	1.7
69.73936	4.2
70.56101	0.9
71.04980	2.0
77.03918	1.9
79.05492	9.6
81.03416	5.0
81.07047	8.1
83.04963	1.4
85.02885	3.9
85.70662	1.1
91.05479	9.0
93.07056	8.8
94.04178	4.6
95.04953	2.8
95.08588	1.9
97.02863	2.2
97.06499	2.1
98.97576	2.3
101.55745	0.9
103.05460	4.7
105.03410	7.3
105.06392	1.6
105.07040	22.7
107.04958	27.9
107.08599	1.9
109.02857	2.6
109.06496	6.9
115.05457	5.3
117.03320	1.5
118.03971	0.9
119.04910	3.0
119.08596	2.2
121.06493	4.0
121.10145	9.0
122.03663	11.5
126.17551	1.0
127.03929	2.0
129.06981	2.7
131.04881	2.8
131.08586	2.0
133.02858	44.9
133.06509	15.9
133.10071	1.0
135.04424	1.6
137.05988	100.0
143.06067	2.3
144.05716	3.7
145.06406	1.3
146.03598	1.0
147.04433	11.9
147.08057	2.3
147.94095	1.0
148.04747	5.9
149.05009	5.9
149.06007	6.9
149.09641	5.0
151.03870	1.2
155.04893	4.5
159.08061	6.8
159.11685	1.2
161.04666	1.9
161.05995	32.8
162.05511	1.3
165.05457	9.3
165.06842	1.7
172.05185	3.5
175.07567	2.9
177.01997	1.0
177.09129	1.1
179.03366	1.8
179.08534	1.5
182.37888	1.1
187.07547	27.1
189.06947	4.8
190.07759	16.4
191.08562	35.9
191.10318	1.8
194.07359	1.1
202.06665	1.4
205.06535	1.9
207.07986	4.1
208.08748	5.2
211.07451	1.3
218.07317	10.2
219.08061	48.4
220.08775	5.5
221.05949	1.7
224.08154	1.1
225.09111	2.0
229.07518	1.1
233.09628	2.7
235.07489	6.1
236.08324	11.9
237.08937	1.3
247.07574	20.9
248.08328	2.0
248.96010	1.2
249.05397	1.4
250.10007	1.8
251.10686	66.1
253.08572	3.2
261.09024	3.8
263.06995	1.6
264.07806	8.2
265.08588	4.2
268.10739	1.8
270.08905	1.5
278.09286	2.0
279.10175	58.8
280.10828	4.6
281.08096	7.1
283.05975	2.8
283.09653	5.3
283.12714	1.5
293.08698	1.5
293.21164	1.3
295.09662	1.4
296.10483	8.1
311.05496	17.6
311.09799	2.2
311.12720	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	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03941	3.0
55.01868	2.9
55.05500	1.7
56.96543	1.5
57.03408	1.3
61.02902	1.1
65.47104	1.3
67.05484	2.2
69.03409	3.5
69.07082	2.2
69.74145	6.5
71.04961	2.4
77.03924	2.8
77.17619	1.3
79.05495	7.3
81.03399	5.6
81.07044	5.8
83.04991	1.3
85.02907	6.7
85.06554	2.2
87.04489	1.6
89.03903	1.4
91.05482	7.9
93.07055	9.3
94.04179	4.6
95.04965	3.1
95.08584	3.8
97.02871	3.8
98.97583	3.4
103.05463	4.9
105.03400	11.5
105.07035	23.6
105.86518	1.2
107.04302	2.1
107.04967	28.5
107.08563	2.7
109.02883	3.5
109.06499	4.0
115.05451	4.0
118.04159	2.0
119.04905	1.7
119.08620	1.5
121.02837	1.8
121.06520	3.8
121.10164	8.3
122.03649	12.5
125.06006	1.7
127.03895	3.2
128.06253	3.0
129.06987	4.1
131.04893	2.4
131.08601	3.3
131.10771	1.7
132.10992	2.0
133.02869	50.8
133.06499	16.6
133.10085	1.5
135.04378	1.8
137.05991	100.0
143.06065	2.1
144.05688	3.8
145.06488	1.5
147.04413	8.8
148.04736	3.1
149.02324	1.6
149.04935	5.3
149.05991	5.8
149.09613	5.6
151.03912	1.7
155.04926	5.4
156.05688	1.6
159.08026	10.0
161.06000	34.0
165.05470	8.0
165.06847	2.3
172.05199	3.6
175.07553	3.0
177.01910	2.5
179.03339	1.9
179.08556	2.0
187.07562	30.1
189.07010	4.7
189.08922	2.2
190.07768	18.7
191.06941	2.4
191.08580	35.6
194.07214	1.4
202.07907	2.5
205.06445	2.2
207.08044	6.4
207.09903	1.2
208.08801	5.4
218.07260	12.7
219.05945	3.0
219.08063	54.1
220.08821	5.3
221.05917	3.0
223.11195	1.3
229.07721	1.2
233.09627	2.0
235.07480	6.9
236.08386	12.1
237.09082	2.6
246.06906	1.8
247.07568	23.2
248.08289	2.2
250.09792	2.4
251.10696	75.7
253.08546	5.6
261.09064	3.7
263.07120	1.6
264.07816	7.5
265.08450	2.2
268.07535	1.5
268.11017	2.1
278.09311	1.8
279.10187	64.2
280.10818	6.3
281.08224	7.7
283.06039	1.2
283.09622	3.0
283.13275	3.4
295.09628	1.6
296.10437	9.0
311.05469	14.2
311.12753	71.8
328.29239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03938	1.2
55.01857	1.6
56.17879	1.0
57.00238	1.0
61.59218	1.0
67.05488	1.7
69.03421	3.8
69.49277	2.2
69.49703	4.8
71.04971	1.3
79.05495	5.6
81.03402	2.3
81.07037	4.1
85.02895	2.4
91.05492	7.3
93.07043	12.5
94.04185	4.2
95.04987	1.2
103.05447	3.1
105.03391	1.2
105.07049	10.2
107.04965	9.6
107.08601	2.2
109.06509	4.3
109.10166	1.4
115.05448	3.4
116.06261	1.7
117.06920	1.1
118.04154	1.2
119.04963	1.9
119.08599	2.5
121.06460	1.8
121.10143	8.5
122.03666	10.2
123.04412	1.1
128.06219	2.2
129.07043	5.4
130.06535	18.3
131.04950	6.2
131.08545	2.4
133.06500	7.1
137.05981	100.0
141.07019	1.2
143.06021	1.5
144.05696	2.9
145.06432	1.3
146.03604	1.4
146.06041	1.5
147.04408	4.6
148.04697	3.2
149.04990	2.5
149.05977	8.5
149.09608	3.9
155.04901	6.8
156.05742	1.6
159.08058	10.8
161.05980	19.4
163.03798	1.5
165.07007	3.5
167.06984	1.6
172.05208	2.3
175.07571	4.6
179.08473	1.8
181.06503	1.4
187.07545	26.0
188.06999	2.0
189.06984	5.2
189.08987	1.3
190.06148	2.1
190.07776	26.5
191.08568	48.5
192.09203	1.2
201.07053	3.0
202.07802	2.2
203.08510	2.3
205.06496	2.5
205.10045	1.8
206.09721	2.3
207.08089	4.8
208.08786	6.7
218.07283	16.2
219.08055	67.0
220.08894	6.2
221.05943	3.5
223.11169	1.3
229.07729	1.5
233.09666	2.9
234.09123	5.3
235.07581	8.0
236.08342	16.9
246.06726	3.0
247.07562	27.2
248.08261	2.5
249.05420	1.5
249.09134	1.4
251.10672	99.8
253.08583	4.0
261.09113	3.8
263.07092	2.4
264.07864	9.8
265.08627	3.2
268.11053	1.5
279.10181	77.4
280.10849	5.2
281.08127	8.6
283.13321	1.8
294.11282	12.3
296.10428	9.0
311.12766	86.0
329.44110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11348	1.0
53.03953	1.1
53.92861	1.0
55.01864	1.5
57.79122	1.0
59.78178	0.9
60.61477	1.1
62.93326	1.0
67.05489	2.2
69.03419	2.5
70.10179	4.3
75.52737	1.0
79.05487	7.5
81.03415	2.8
81.07036	4.7
85.02885	2.1
91.05490	7.8
93.07045	12.1
94.04176	4.6
95.04961	1.9
95.08585	1.4
97.02914	1.0
98.20786	1.1
103.05466	3.9
105.07024	8.7
107.04971	10.3
107.08582	4.6
109.02879	1.7
109.06517	3.4
109.10153	1.8
109.58746	1.1
113.24255	1.1
115.05478	2.6
119.04915	2.0
119.08582	1.6
121.06496	1.5
121.10123	11.7
122.03667	9.9
127.03915	1.5
128.06218	2.3
129.06987	5.0
130.06526	13.8
131.04884	7.2
131.08577	2.6
133.06485	6.5
137.05980	100.0
144.05710	3.3
144.07994	1.6
147.04384	4.6
148.04759	2.2
149.05046	1.5
149.06024	11.1
149.09581	2.8
151.07513	1.2
155.04900	6.7
156.05675	1.3
159.08043	8.2
161.05986	17.8
165.06966	2.3
172.05173	2.5
172.33540	1.1
175.07506	4.0
177.89821	1.2
179.08687	1.7
187.07550	33.2
189.07008	7.6
189.08957	1.8
190.07767	25.2
191.08565	51.8
194.07336	1.3
195.08060	1.3
201.06940	1.9
202.07835	2.0
203.08511	1.3
205.06442	1.3
206.09567	2.0
207.08031	5.5
208.08899	6.5
218.07277	15.7
219.08058	61.6
220.08757	4.9
221.05974	1.6
233.09578	2.7
234.09088	5.9
235.07539	7.3
236.08368	12.5
237.09142	2.1
246.06723	2.4
247.07553	26.8
247.09959	2.2
248.08311	3.6
249.08798	1.6
250.09871	1.5
251.10677	92.8
253.08578	6.9
255.10014	1.3
261.09155	5.2
263.07074	2.9
264.07898	7.2
265.08609	3.5
267.10287	2.0
268.10947	1.7
278.09283	1.8
279.10165	73.4
280.10925	5.6
281.08063	9.7
283.13013	1.4
294.11356	9.5
296.10498	11.1
311.12753	72.9
324.35156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01864	1.2
55.75028	0.7
57.03428	2.8
57.07083	4.8
59.04984	0.8
61.02930	3.7
67.05506	7.1
69.03426	7.2
69.07072	1.3
70.29649	1.1
70.30028	1.6
71.04984	5.3
71.61211	0.7
73.02929	1.7
81.03412	2.4
81.63058	0.7
85.02909	37.5
85.06535	4.0
87.04469	0.9
91.03957	2.9
95.04977	14.4
97.02895	7.8
98.21480	0.8
99.04469	2.3
105.03403	0.7
109.02879	2.7
113.06010	34.1
118.28095	0.6
127.03925	8.0
131.07045	100.0
133.88931	0.6
145.04967	17.7
163.06013	5.5
293.12320	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03149	0.6
53.03935	1.2
55.01875	1.4
55.05511	1.6
56.96572	4.5
57.03431	2.9
59.04993	0.9
61.02909	2.6
67.05502	1.6
69.03127	0.8
69.03436	7.8
69.07057	2.2
69.88548	3.2
70.06592	1.4
71.05006	3.4
71.61488	0.6
72.32999	0.6
73.02912	2.9
79.05499	1.1
81.03432	3.3
81.07043	0.7
83.04986	1.0
84.04502	1.8
84.96040	1.1
85.02437	1.3
85.02918	15.4
85.06552	1.3
86.03252	1.0
87.04462	2.3
91.05486	1.8
94.06544	0.7
95.04962	1.4
95.08600	2.7
95.26270	0.6
97.02904	9.3
97.86860	0.7
98.97603	6.7
99.04456	1.9
99.97926	0.7
103.03931	1.5
103.05428	1.2
105.03407	2.1
107.04947	2.9
109.02902	1.8
110.97575	1.3
111.04435	1.7
113.06026	2.5
113.09669	1.6
114.06348	1.9
115.00673	0.7
115.03929	1.2
115.07626	1.1
116.98643	2.8
117.07034	1.1
119.04975	2.4
120.08124	1.0
121.06509	1.1
122.03577	0.9
123.04414	2.2
127.03925	6.7
128.98611	1.7
129.07022	0.8
131.04953	3.0
131.07069	3.5
131.10713	1.4
132.07359	2.7
133.06627	1.1
133.07622	9.1
135.04443	1.0
136.07571	2.9
137.05988	12.5
145.04964	3.2
147.03377	0.9
147.04443	3.0
148.06371	1.6
149.02121	6.9
149.06013	2.8
149.07132	4.5
149.11674	1.6
151.03888	2.3
151.07487	1.2
155.04655	1.5
158.99628	1.3
159.04456	1.2
161.07123	100.0
162.07837	1.2
163.07565	1.5
164.07106	0.8
165.05507	2.3
166.08655	1.0
167.07056	1.5
169.06511	1.2
170.99658	0.7
173.07135	2.3
173.10788	1.5
174.07935	1.7
175.07404	1.3
175.08800	4.1
177.00706	1.6
177.05515	4.4
179.07103	1.7
182.08203	1.6
183.04584	0.7
183.09224	0.9
185.04262	1.8
186.07973	0.9
187.07408	1.4
189.06630	2.7
191.06952	3.6
191.08195	4.9
194.68332	0.6
197.06024	0.8
201.00688	0.7
201.10306	9.8
203.07010	1.0
203.08223	1.3
205.09871	0.7
210.99303	0.8
211.08730	2.0
215.07031	1.4
219.01820	3.0
221.08159	1.1
227.08240	1.7
228.01778	1.3
229.10052	4.8
233.08789	0.7
237.02823	3.2
239.08179	2.0
245.09261	12.4
246.02888	1.4
257.09253	28.1
275.10294	14.1
293.11365	24.5
305.09128	2.6
305.99411	0.9
309.08563	1.6
311.07404	31.5
311.12363	13.6
311.16034	1.9
323.10159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15887	1.2
53.03955	9.3
55.01875	8.5
55.05267	1.9
55.05514	22.4
57.03434	2.7
57.07070	5.3
65.03963	1.4
66.63657	1.2
67.05505	44.2
68.76875	1.2
69.03436	1.8
69.07074	31.7
69.20880	12.7
71.05000	2.9
71.08627	5.7
72.20575	1.2
79.05067	2.4
79.05495	28.6
81.03419	51.0
81.06587	2.7
81.07063	42.2
83.04987	15.2
83.08630	10.6
85.06538	2.3
85.10171	2.3
91.05482	17.9
93.07045	29.1
93.74684	1.2
95.04974	29.5
95.08601	18.6
97.06535	6.0
97.10167	9.5
99.08073	1.8
105.07034	24.1
107.08603	22.0
109.06515	4.9
109.10155	14.8
109.99570	1.2
111.08060	4.0
111.11703	1.8
117.07008	5.1
119.08583	14.4
121.06466	2.2
121.10162	8.8
123.08069	3.2
123.11706	8.1
125.09639	11.1
129.06998	2.5
131.08565	5.9
132.09325	8.3
133.10143	14.3
135.08060	3.7
135.11722	6.9
137.09621	1.9
137.13252	1.4
143.08597	1.9
145.10130	2.6
147.04501	1.7
147.08134	2.3
147.11693	67.5
149.13263	6.4
151.09982	1.8
151.11195	34.5
153.09117	5.5
157.10060	3.2
157.12315	1.3
159.11696	1.6
161.09584	1.7
161.13313	11.1
163.11230	1.8
163.14827	4.5
165.12776	10.1
171.10246	1.5
171.11749	3.1
173.13211	2.9
175.11180	2.5
175.14821	3.0
177.12729	2.0
179.10713	1.5
179.14301	6.2
185.13139	2.7
189.12694	1.5
193.12154	2.7
203.12791	10.2
207.13869	4.3
231.17503	2.1
231.21149	9.2
241.19553	4.1
249.22137	4.9
259.20569	9.9
277.21637	100.0
288.57602	1.4
291.19821	2.5
309.08221	6.8
309.21082	1.3
309.24115	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	3.2
55.01855	3.0
55.05267	1.6
55.05514	18.7
57.03439	7.3
57.07069	2.7
59.04993	1.4
61.41718	1.1
64.47225	1.0
65.03941	2.2
67.05506	42.7
69.07069	17.2
71.04981	3.0
71.08633	49.8
78.08700	1.0
79.05495	39.0
81.03430	6.0
81.07059	49.8
83.04974	12.4
83.08624	9.7
85.06558	5.3
89.93443	1.0
91.05483	26.7
93.07047	55.9
95.04984	8.1
95.08612	38.8
97.06530	10.9
97.10172	4.1
98.20699	2.0
99.08099	42.6
105.07024	17.0
107.04974	6.1
107.08599	27.1
109.06554	5.3
109.10153	18.0
111.08054	3.0
113.09658	2.6
117.07006	4.4
119.08575	17.4
121.06506	1.2
121.10146	29.3
123.04347	1.2
123.08072	4.0
123.11691	3.0
127.11169	1.4
129.07013	2.0
131.08597	6.3
133.10150	11.5
135.11696	35.7
135.12718	2.3
137.09630	5.9
137.13258	1.5
139.11143	3.5
141.09065	2.7
143.08559	3.3
145.10103	5.0
147.04370	2.4
147.11670	7.2
149.13266	10.6
149.85304	1.0
151.11186	15.6
153.12740	2.9
154.11128	1.1
157.10153	2.1
159.11688	6.1
161.13263	10.1
163.11151	7.4
163.14825	1.9
165.12749	1.6
167.10660	2.2
171.11671	2.8
175.14757	2.8
177.12743	4.2
179.14319	100.0
181.12216	1.6
187.14835	2.5
189.12778	3.3
195.13795	2.0
199.14749	1.3
217.15898	1.4
221.15392	3.4
231.21048	1.8
235.13362	1.3
235.16933	4.4
241.19510	3.4
259.20566	5.7
277.21643	66.6
291.19678	2.1
291.23099	3.1
309.12814	1.0
309.16934	1.3
309.20715	1.6
309.24191	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	309.2211
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.89228	2.1
53.03934	5.1
55.01864	4.8
55.05515	17.2
57.03428	4.1
57.07063	5.0
65.03916	2.2
67.05193	2.2
67.05510	31.1
69.03436	4.0
69.07073	19.0
71.04988	4.2
71.08602	2.5
79.05492	36.4
81.03400	6.5
81.07062	44.1
83.04981	4.2
83.08591	6.1
91.04980	2.7
91.05494	39.7
93.06492	4.2
93.07047	73.5
95.04976	53.4
95.08064	3.1
95.08609	45.8
97.06530	16.4
97.10140	2.5
103.05465	3.2
105.04464	2.9
105.07036	80.5
107.04890	2.4
107.08604	36.5
109.06523	11.5
109.10175	23.7
115.05504	2.4
116.06223	3.2
117.07043	15.3
119.04953	2.3
119.08588	68.5
121.06519	12.3
121.10152	100.0
123.08079	11.5
123.11674	5.4
125.09641	2.3
126.24326	2.2
128.06187	8.5
129.07031	16.2
130.07739	6.2
131.08595	31.0
133.06424	3.6
133.10144	42.0
135.08067	5.8
135.11714	13.3
141.06964	7.4
142.07777	13.3
143.08560	24.9
144.09320	6.0
145.10126	46.5
147.04414	6.2
147.07994	3.1
147.11702	18.6
149.09666	4.4
153.07152	2.1
154.07738	4.2
155.08569	10.2
156.09389	13.0
157.10129	33.0
158.10938	4.8
159.08105	3.2
159.11697	39.8
161.09589	7.3
161.13246	7.5
163.11244	2.8
165.06982	2.3
167.08530	3.1
168.09334	2.7
169.10129	15.6
170.10893	4.9
171.11710	19.6
173.09599	3.1
173.13298	20.1
175.14754	7.1
179.08521	5.1
181.10118	5.3
182.10835	3.8
183.11685	13.8
184.12375	2.2
185.09515	2.5
185.13335	12.1
187.11223	14.3
187.14842	19.1
189.12691	3.4
189.16325	2.5
193.10132	5.4
195.11650	7.1
196.12352	2.9
197.13271	13.5
199.14746	10.3
200.15642	3.8
201.12772	3.1
201.16461	3.5
206.10817	2.9
207.11649	6.6
209.13287	10.1
211.14781	8.9
213.12762	3.6
213.16380	4.6
215.14282	3.2
216.58412	2.1
217.15828	2.7
220.12502	2.4
221.13229	5.1
223.14861	4.2
225.12805	2.3
225.16368	6.1
229.07346	3.0
235.14763	5.0
237.16411	2.9
239.14253	5.9
239.17972	6.4
244.80096	2.8
251.17943	2.7
253.15807	6.7
265.19565	4.1
277.21368	2.3
281.22617	5.2
291.21063	11.7
296.84500	2.2
309.22070	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
55.01862	3.8
55.05511	19.7
57.03413	6.0
57.07067	6.4
65.03922	2.1
67.05506	45.0
69.03426	4.0
69.07067	25.8
69.70485	6.3
69.70896	4.9
71.04964	2.3
71.08616	4.6
79.05073	3.0
79.05496	43.6
81.03408	5.1
81.06602	2.4
81.07059	62.7
83.04961	6.0
83.08617	12.6
91.05484	49.3
93.07047	94.7
95.04377	3.5
95.04972	53.5
95.08609	59.4
96.48845	2.0
97.06525	23.3
97.10146	7.5
98.21478	3.6
99.08077	2.9
103.05450	2.7
105.04521	3.5
105.07034	92.5
107.04941	4.0
107.08606	43.9
109.06519	14.6
109.09492	2.0
109.10169	28.5
111.08119	3.6
115.05457	4.1
117.07022	22.5
119.08586	64.2
121.06499	8.8
121.10146	100.0
123.08080	10.7
123.11688	8.2
125.05943	1.9
125.09592	3.5
128.06187	7.2
129.07024	15.9
130.07790	9.2
131.08565	39.5
133.06473	4.3
133.10129	48.3
135.08018	7.1
135.11703	16.7
141.06978	5.0
142.07762	14.8
143.07512	2.3
143.08568	29.4
144.09341	7.8
145.06451	2.7
145.10117	52.6
147.04390	8.3
147.08017	4.9
147.11708	14.2
149.09604	3.6
149.13229	3.5
151.11238	2.3
153.07022	3.3
154.07776	3.3
155.01036	2.4
155.08542	8.7
156.09393	11.3
157.10141	37.2
158.10854	5.1
159.08005	2.8
159.11693	38.7
161.09621	14.3
161.13234	7.5
163.11111	5.2
167.08530	3.7
168.09268	2.7
169.10133	21.8
170.10878	5.9
171.11722	17.7
172.12415	2.4
173.13268	12.0
175.11205	3.7
175.14828	9.7
179.08545	3.6
181.10089	5.7
182.10843	3.5
183.11700	12.6
185.09631	2.6
185.13205	8.9
187.11205	12.0
187.14839	20.8
189.12834	3.7
193.10110	4.6
195.11633	4.7
196.12544	2.8
197.13283	10.9
199.14822	11.3
201.12779	4.4
201.16385	2.5
205.10297	1.9
206.21443	1.8
207.11807	3.9
209.13249	6.3
211.14865	10.5
213.12636	2.2
213.16301	4.3
215.14310	3.8
220.12424	2.3
221.13206	3.3
223.14781	4.5
225.12898	2.4
225.16321	5.1
235.14818	3.8
237.16370	2.1
239.18018	3.5
253.15877	7.0
253.19568	3.2
265.19492	3.2
277.21625	5.1
281.22580	5.5
291.20871	7.3
291.23523	3.7
309.22064	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	6.0
55.01879	23.3
55.05514	42.9
56.05825	1.9
57.03430	6.5
57.07098	3.7
57.07356	1.5
59.05011	1.7
65.03925	5.4
67.05508	87.2
69.03423	6.9
69.06732	2.4
69.07073	35.8
69.90005	9.0
71.05006	11.2
77.03909	1.6
79.05497	57.7
79.29444	1.6
81.03420	8.5
81.07060	100.0
83.01334	4.9
83.04984	21.2
83.08624	17.3
85.06534	6.3
91.05486	71.0
91.46057	1.6
93.06483	3.7
93.07049	67.8
95.04969	15.6
95.08613	47.6
97.02884	2.7
97.06525	10.2
97.10167	6.1
98.20837	2.6
99.04456	6.4
99.08058	2.8
103.05496	2.4
105.04516	2.5
105.07037	68.8
107.04951	14.5
107.08596	53.9
109.02891	1.9
109.06518	16.5
109.10161	83.9
111.04471	8.4
111.08089	14.0
113.06006	3.3
117.06266	2.0
117.07009	11.9
119.04895	2.1
119.08584	25.7
121.06512	18.8
121.10140	22.4
123.04456	3.2
123.08099	11.0
123.11744	9.9
125.06001	2.9
125.09560	3.9
125.71461	1.4
127.07522	3.2
128.06242	2.1
129.07005	9.3
131.08566	24.4
133.06496	11.7
133.10138	97.0
135.08066	10.8
135.11674	12.2
137.05994	3.3
137.09593	4.7
139.07529	11.0
139.11153	2.4
143.08571	12.9
145.06461	2.4
145.10120	17.1
147.04434	4.0
147.08055	14.6
147.11707	10.0
149.09619	10.1
149.13239	3.9
151.09970	3.0
151.11186	59.9
153.09109	2.0
153.12753	1.8
157.10100	7.7
159.08064	4.8
159.11691	6.0
161.09624	20.9
161.13255	5.5
163.11145	6.4
163.14830	2.4
165.09109	3.7
165.12805	1.8
167.10681	4.4
169.12236	15.2
171.11748	9.6
173.09634	2.6
173.13313	2.9
175.11285	8.1
177.09012	3.1
177.12894	2.4
179.10689	5.1
179.14352	3.1
181.08627	5.7
183.11667	1.8
185.09570	2.0
185.13220	3.3
187.11116	2.8
189.12694	5.3
199.11192	5.5
201.12749	2.2
203.14320	7.1
207.13759	4.5
213.12741	2.9
213.16504	2.1
215.12807	3.8
217.12259	3.5
217.19667	3.3
223.13182	2.6
227.18010	4.7
235.13307	2.9
237.16364	2.4
245.19006	25.2
255.17450	5.4
263.20074	28.9
269.12390	2.4
273.18500	61.3
291.19553	98.9
309.17114	2.4
309.20572	26.9
309.24057	2.7
314.88135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	5.9
55.01873	9.1
55.05514	30.8
56.96567	5.0
57.03433	3.4
59.04995	2.5
66.74466	1.6
67.05506	36.0
69.03421	6.3
69.07069	18.9
70.04080	2.4
71.04987	3.4
71.08623	1.8
71.56446	1.6
75.44090	1.6
79.05062	2.5
79.05497	31.8
81.03413	12.5
81.07060	33.7
83.04977	8.6
83.08624	16.9
85.06550	2.6
89.23663	1.3
91.05485	19.8
93.07046	27.0
95.04975	11.7
95.08613	44.3
97.06538	7.1
97.10178	24.5
98.98472	2.1
99.08111	1.8
105.03391	5.0
105.07037	17.0
107.04962	15.6
107.08604	20.5
109.06553	3.9
109.10156	10.9
111.04421	3.1
111.08092	4.4
115.05485	1.4
117.07001	7.7
119.04930	5.1
119.08590	16.2
120.67474	1.7
121.06503	3.7
121.10152	11.1
121.39408	1.4
123.04397	2.3
123.08063	27.7
123.11678	2.4
125.09632	21.4
129.06987	4.4
131.08578	10.4
133.06445	2.4
133.10118	6.3
135.08032	10.3
135.11705	3.7
137.09636	11.0
139.11180	2.6
143.08559	4.0
145.10127	6.7
147.04420	11.2
147.08069	6.7
147.11684	3.6
149.09648	6.8
151.11205	3.4
153.09077	2.0
157.10127	4.2
159.11711	3.1
161.09651	4.7
161.13136	1.7
163.11200	4.0
165.09100	9.7
167.10716	2.2
169.12033	1.8
171.11649	4.2
173.13341	2.0
175.11232	5.0
187.11194	2.7
189.11259	11.7
189.12788	2.1
193.12219	3.2
199.11220	2.3
213.43478	1.8
219.13857	1.8
223.13322	4.5
231.13687	1.7
233.15562	1.6
245.18938	1.8
249.14912	2.5
255.17451	2.7
263.20071	3.8
273.18546	21.7
277.21869	1.5
291.19556	100.0
297.15274	3.2
309.20615	13.4
309.24130	2.9
331.80649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	6.2
55.05507	3.7
55.31348	1.3
57.03439	28.7
57.07077	2.9
60.00590	1.4
65.01927	1.5
67.05512	24.9
68.79459	1.4
69.03420	1.9
69.07056	4.0
69.40871	10.9
71.05007	2.1
79.05492	11.5
81.07068	13.8
83.04977	1.9
85.06548	33.6
91.05477	11.3
93.07053	13.4
95.04977	36.5
95.08607	7.8
97.06560	2.7
105.07035	8.2
107.04945	2.9
107.08591	11.2
109.06525	33.8
109.10136	2.3
111.04420	2.3
111.08119	1.6
113.06012	100.0
115.05492	1.3
117.07005	6.7
119.08587	5.1
119.64135	1.4
121.06482	2.5
121.10158	5.2
123.08062	2.0
129.06966	3.2
131.08575	8.4
133.06549	1.7
133.10141	3.3
135.08055	28.4
135.11708	4.3
137.09602	1.5
140.74568	1.3
143.08583	3.1
145.10136	5.0
147.04420	7.8
147.08058	2.9
147.11707	2.8
149.09615	4.2
157.10167	4.1
159.11705	2.3
161.09639	4.3
163.11159	1.8
171.11687	1.9
173.13264	2.0
175.11133	2.1
177.12653	2.3
185.13290	1.8
189.12718	1.8
199.14781	2.8
201.12762	1.9
217.15939	11.9
237.16359	1.8
255.17456	3.6
273.18524	17.7
291.19547	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.58703	0.4
53.03936	1.4
55.01670	0.4
55.01875	4.1
55.05513	21.4
57.03429	1.5
57.07061	1.4
59.04998	0.8
65.03931	0.5
67.05505	15.2
69.03424	3.7
69.06733	0.8
69.07072	11.1
70.61025	1.5
71.04985	1.7
71.54825	0.4
78.52470	0.4
79.05495	13.7
81.03426	2.7
81.07061	17.3
82.92654	0.5
83.04975	3.2
83.08155	0.7
83.08622	12.1
85.06523	1.1
91.04966	0.8
91.05489	8.8
93.07049	10.5
95.01305	0.7
95.04983	5.3
95.08606	9.1
97.02882	2.1
97.06525	1.7
97.10172	18.1
98.20830	0.5
105.03423	0.5
105.07031	8.4
107.04974	2.6
107.08601	9.2
109.02866	0.9
109.06516	2.2
109.10152	3.8
111.04423	1.2
111.08076	1.4
115.05476	0.6
117.07024	3.3
119.04926	1.7
119.08580	8.0
121.06495	1.7
121.10139	3.4
123.04440	1.0
123.08061	5.2
123.11724	1.2
125.09634	11.6
128.06212	0.5
129.07031	2.3
130.07777	0.6
131.08577	5.0
133.06511	2.7
133.10129	3.4
135.08063	2.2
135.11696	1.4
137.05951	0.6
137.09622	2.4
138.06371	0.6
143.08542	1.9
145.10106	3.2
147.04404	2.1
147.08038	3.7
147.11671	2.4
149.09618	1.4
149.13295	0.7
151.11176	0.7
153.09108	0.9
157.06516	0.5
157.10132	1.7
159.11688	1.8
161.09595	1.5
161.13188	0.8
162.10471	0.8
163.11177	2.0
165.09135	1.6
171.11682	1.2
173.13286	0.7
175.11186	1.7
177.12650	0.9
181.12268	0.6
183.11644	0.5
187.11197	0.8
189.11229	7.4
189.12752	1.0
191.10634	0.5
205.12199	0.6
211.13173	0.8
216.56071	0.5
217.12320	0.6
221.11867	0.7
223.13266	7.3
227.17937	0.9
245.18970	0.9
249.14886	1.4
255.17432	1.4
263.20129	1.3
273.18512	10.6
286.10452	0.6
291.19547	100.0
292.19955	1.0
301.01724	1.3
309.13043	0.9
309.20657	4.3
309.24121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.35683	1.7
53.03943	8.0
55.01876	22.8
55.05514	36.1
57.03442	7.7
57.07079	2.7
61.30149	1.6
65.03939	2.6
65.82436	1.6
66.04726	2.2
67.05508	92.6
69.03418	6.9
69.07068	30.0
69.87669	8.7
71.04996	9.5
77.03922	2.6
79.05135	1.6
79.05498	52.8
81.03429	20.9
81.07061	100.0
83.01351	2.3
83.04980	17.1
83.08625	13.4
83.28968	2.0
85.02935	4.0
85.06537	8.5
91.05484	57.6
93.06480	3.4
93.07054	53.3
95.04968	14.8
95.08611	87.1
96.08910	2.3
97.06554	8.8
97.10173	6.7
99.04456	4.8
99.08115	4.0
105.07041	53.9
107.04978	18.0
107.08602	51.4
109.06519	11.1
109.10161	78.5
111.04449	8.4
111.08073	9.5
113.06062	3.7
117.07011	12.2
118.23983	1.9
119.04932	1.8
119.08593	25.4
121.06521	13.8
121.10156	17.8
123.08083	30.9
123.11682	12.1
125.06033	2.2
125.09621	8.6
127.07580	4.4
128.06267	2.7
129.06995	7.9
130.07870	1.7
131.04895	1.8
131.08575	13.7
133.06465	8.6
133.10136	98.3
135.08032	14.7
135.11691	10.4
137.05907	2.3
137.09601	8.8
139.07552	5.4
139.11264	2.0
143.08571	7.1
145.06491	1.9
145.10117	13.7
147.04433	3.6
147.08049	10.2
147.11707	7.7
149.09662	11.1
151.11188	59.8
153.09122	2.7
155.08571	2.7
156.97502	2.9
157.10130	8.0
159.08125	4.1
159.11713	7.4
161.09647	15.3
161.13263	3.1
163.11205	4.6
165.09125	6.1
167.10724	3.7
169.10086	2.0
169.12227	20.0
171.11713	6.7
173.13254	2.7
175.11179	8.8
177.08987	3.4
177.12886	2.7
179.10728	4.5
181.08600	2.0
185.09633	2.6
185.13304	3.8
187.11145	2.4
189.12738	5.1
194.82683	1.8
199.11226	2.8
203.14262	3.2
207.13893	4.2
215.12822	5.2
217.12296	2.7
219.22707	1.7
227.02959	1.6
227.17935	3.7
237.16344	1.7
245.19043	14.3
255.17502	6.1
263.20074	14.0
273.18491	43.7
291.19540	68.9
301.01801	2.7
309.13321	2.1
309.20657	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03943	5.7
55.01876	10.9
55.05518	31.5
57.03439	29.6
65.03949	2.3
67.05506	28.5
69.03421	5.4
69.07074	8.4
69.74256	9.9
71.05003	2.2
71.64664	1.7
79.05070	3.4
79.05497	38.0
81.03405	3.9
81.06585	3.3
81.07063	52.2
83.04967	4.5
83.08615	15.3
85.02904	2.5
85.06533	4.0
91.04973	2.7
91.05482	30.9
93.07053	22.8
95.04996	10.3
95.08627	11.4
95.56676	1.4
97.06513	4.7
97.10178	22.1
98.20784	2.3
98.97570	2.9
99.08078	6.0
105.07041	22.0
107.04948	26.0
107.08595	17.9
109.06525	21.0
109.10161	9.3
111.08082	3.8
112.56857	1.8
117.07031	22.9
119.04923	8.8
119.08586	44.2
121.06527	11.8
121.10119	6.8
123.04407	2.0
123.08086	10.4
123.11676	2.2
125.09641	18.6
129.07010	5.2
130.07774	3.1
131.08595	13.2
133.06502	2.9
133.10129	6.9
135.08073	10.4
135.11697	3.2
135.25996	1.6
137.09607	2.6
143.08601	8.1
145.10129	19.7
147.04405	27.0
147.08052	25.5
147.11711	3.9
149.09665	2.9
153.09125	1.6
155.98801	1.6
157.06442	1.8
157.10133	6.2
159.08023	3.8
159.11693	6.5
161.09630	6.4
163.11165	3.2
165.09145	3.4
171.10303	3.9
171.11719	4.4
173.13234	5.0
175.11220	2.6
185.13306	2.4
189.11255	14.9
189.12813	2.7
191.14183	1.7
195.11652	1.9
199.14729	2.3
201.12717	2.9
217.15857	3.4
219.13837	10.7
223.13313	4.1
227.17918	3.6
235.17003	3.0
237.14717	2.6
245.18968	2.5
249.14842	7.5
255.17390	7.0
273.18515	51.2
291.19562	100.0
309.09653	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02361	0.4
53.03945	1.7
55.01661	0.4
55.01876	4.0
55.05513	5.1
56.96562	1.9
57.03445	3.6
57.07071	0.9
59.04994	0.6
61.02922	0.4
65.03928	1.4
67.05505	10.2
69.03427	5.6
69.07066	5.5
69.30841	0.3
69.32396	3.5
71.01315	0.5
71.05000	2.9
71.08646	0.8
71.95236	0.5
73.06573	0.4
79.05489	8.5
81.03419	7.4
81.07055	13.7
83.04985	5.6
83.08641	2.1
84.96042	0.6
85.02901	3.5
85.06539	1.0
91.05485	14.9
93.07049	9.0
95.04984	4.7
95.08607	10.2
97.02901	1.1
97.06533	4.7
97.10165	1.8
98.21549	0.8
98.97598	2.5
99.04453	3.1
99.08094	1.6
103.05464	1.0
105.03409	2.4
105.04527	0.7
105.07041	5.0
107.04940	2.6
107.08595	5.8
109.02892	2.0
109.06532	4.7
109.10168	4.0
110.97610	0.5
111.04441	12.2
111.08070	1.2
113.06013	0.7
115.05428	0.6
117.03380	0.9
117.07017	2.7
119.04945	21.7
119.08595	5.7
121.02879	2.3
121.06499	1.4
121.10137	4.4
123.04425	0.7
123.08067	2.5
123.11697	1.8
125.09634	1.5
127.03915	1.8
129.07019	1.2
131.04942	2.2
131.08563	2.9
132.05644	0.4
133.06540	1.0
133.10149	3.9
135.08081	2.3
135.11688	1.8
137.09613	2.8
138.03481	0.4
139.07542	0.7
141.07066	0.6
143.08569	1.4
145.02831	2.2
145.06558	0.7
145.10147	2.4
147.04416	100.0
147.08064	1.7
147.11673	1.2
148.04765	0.7
149.09628	1.3
149.13261	1.1
151.11174	0.8
153.09076	3.3
157.10135	1.3
158.99614	0.6
159.10263	0.7
159.11713	1.5
161.09668	2.0
161.10805	0.4
163.03888	0.5
163.11179	0.8
165.05464	2.3
165.09167	1.0
169.10155	0.5
171.11696	0.9
173.09656	0.4
173.11821	0.5
173.13316	0.7
175.11186	1.1
175.14798	0.5
177.05481	4.1
177.12775	0.9
179.10712	0.5
185.13272	0.5
187.11275	0.6
189.12735	0.7
189.16431	0.4
191.14235	0.5
193.12279	0.9
195.13791	0.8
199.14859	1.4
206.10011	1.2
213.12787	0.5
217.15933	2.2
219.13716	0.5
221.15457	0.6
235.16914	1.1
237.16490	0.5
245.18959	0.9
255.17523	0.7
257.04437	1.2
258.04822	1.2
263.20087	1.1
273.18503	4.9
277.08588	0.8
278.04233	0.8
284.67374	0.8
285.55341	1.6
287.04700	1.0
288.59335	0.5
291.08658	4.2
291.19571	11.5
291.22870	0.9
294.05579	0.5
294.55887	1.1
297.06058	0.9
309.09625	2.6
309.13058	0.6
309.17026	0.8
309.20581	7.8
309.28006	0.6
321.19083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01863	0.4
55.05518	1.7
57.03188	0.6
57.03441	6.9
59.04992	0.7
61.02922	1.7
65.03926	0.5
67.05499	1.1
69.03426	5.8
71.01354	0.9
71.04996	12.8
71.54401	0.5
73.02918	3.1
75.04486	6.6
79.05499	1.1
81.03424	6.1
81.07069	1.3
83.04988	2.9
85.02908	52.9
87.04456	1.0
91.05486	8.0
93.07054	1.0
95.04943	0.8
95.08630	0.6
97.02870	2.7
99.04449	1.4
105.03431	1.0
105.07034	1.0
107.04961	0.9
107.08636	0.6
109.02877	3.0
109.10137	1.0
111.04436	1.2
119.04948	20.5
119.08609	0.8
121.02872	0.6
123.04420	0.8
123.11728	0.7
127.03922	3.6
129.04515	0.6
129.05479	12.3
133.10164	0.5
135.07944	0.4
145.04935	0.6
147.04416	100.0
147.06487	9.2
163.03947	0.8
163.22658	0.4
165.05501	2.9
181.04890	0.5
191.03343	0.6
235.07336	0.5
255.08536	0.6
263.09363	0.4
281.08133	0.7
291.08673	5.2
309.07520	5.1
309.10205	2.1
309.24255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03936	6.2
55.01875	14.2
55.05514	66.0
56.81425	2.6
56.96557	4.8
57.03439	54.5
57.07067	4.6
63.95445	2.5
66.42249	2.3
67.05178	3.9
67.05509	52.1
69.03413	7.8
69.06727	2.7
69.07065	17.5
70.78980	5.2
70.79314	3.1
71.04990	5.2
79.05497	69.6
81.03398	7.6
81.07060	58.1
83.04960	11.1
83.08628	28.8
85.02913	3.9
85.06527	10.5
91.05476	44.2
93.03399	2.2
93.07048	47.0
95.04981	17.4
95.08606	26.6
97.06562	15.5
97.10173	49.4
98.11670	2.3
99.04444	3.5
99.08089	9.5
105.03375	5.6
105.07033	40.9
107.04957	35.1
107.08597	39.4
109.06517	43.1
109.10163	17.8
111.04436	4.1
111.08093	6.1
113.06001	10.7
117.06982	22.0
119.04953	12.4
119.08572	32.9
121.06539	14.7
121.10147	22.5
123.08080	24.0
123.11688	3.2
125.09631	43.5
127.03913	3.5
129.07014	4.6
131.08560	23.5
133.10138	12.9
135.08046	15.2
135.11678	5.1
137.05952	3.1
137.09618	6.7
143.08540	10.0
145.06473	3.2
145.10132	22.0
147.04419	58.6
147.08020	23.1
147.11626	4.7
149.09607	7.3
149.13316	3.1
153.09103	9.0
157.10123	11.4
159.08040	4.7
159.11665	8.8
161.09610	9.4
162.20093	2.5
163.11162	3.6
163.14801	2.9
165.07140	2.3
165.09103	8.7
169.12265	4.3
171.10179	4.7
171.11681	7.4
173.09660	5.0
173.11916	2.9
173.13174	14.1
175.11223	5.5
175.14865	2.8
177.12749	5.1
179.10684	2.8
183.11665	8.4
185.13379	4.6
189.11226	47.2
189.12778	2.3
189.16272	3.6
199.11281	2.7
199.14926	5.0
201.12749	11.9
203.14371	2.8
217.15907	16.4
219.13820	34.8
227.18015	5.8
235.16977	6.3
237.16548	3.5
245.19066	5.2
248.10435	3.2
255.17458	12.5
263.20016	6.4
273.18484	80.5
286.10699	3.4
291.16153	8.9
291.19531	100.0
291.22879	4.9
309.13330	5.1
309.16885	23.4
309.20621	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	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90264	0.2
53.03944	0.2
53.94814	0.1
58.86323	0.1
61.02940	1.0
65.03920	0.6
69.03429	5.2
70.97858	0.2
70.98193	0.3
81.03413	0.5
82.61111	0.2
85.02889	0.7
91.05479	6.5
95.08607	0.3
97.02884	0.4
99.04472	0.4
107.04996	0.3
109.02873	0.7
113.55460	0.2
119.04944	19.9
121.02844	0.2
127.03905	2.8
147.04411	100.0
148.04753	0.6
165.05476	1.1
190.65414	0.2
200.71588	0.2
277.08755	0.2
291.08658	1.8
309.09644	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01864	0.4
55.05497	0.5
57.03421	0.7
60.23553	0.2
61.65502	0.2
65.03934	0.6
66.59366	0.2
67.05496	0.6
69.03430	3.4
69.07066	0.4
70.80611	0.3
70.80956	0.5
71.04997	0.4
79.05478	0.6
81.03422	5.1
81.07062	0.5
83.08568	0.2
85.02426	0.4
85.02906	4.6
91.05482	8.8
93.07040	0.6
95.05010	0.2
95.08604	0.8
97.02888	0.7
98.97548	0.4
99.04434	0.7
105.07027	0.5
107.08593	0.4
109.02887	2.2
109.10150	0.3
113.06030	0.3
116.50947	0.2
119.04945	24.4
119.08583	0.4
121.10133	0.5
121.47562	0.2
123.08156	0.3
127.03923	0.4
131.08595	0.2
133.10179	0.4
134.12161	0.2
147.04411	100.0
148.04742	0.5
165.05470	3.7
222.45561	0.2
285.15381	0.7
291.08643	5.0
291.12000	0.3
291.19647	0.3
309.09616	2.3
309.16507	0.7
309.20615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02373	0.5
52.89078	0.2
53.03716	0.2
53.03952	3.7
55.01863	0.4
55.05507	0.4
56.96570	0.3
57.03425	0.6
67.05498	0.7
68.09401	0.2
68.16594	0.2
68.74279	0.2
69.03432	3.2
69.07061	0.5
69.35429	0.2
77.03921	1.1
79.05494	1.1
79.23068	0.2
81.03425	2.4
81.07059	1.3
85.02895	1.0
91.05492	2.1
93.07049	1.0
93.18675	0.2
95.04975	4.1
95.08612	1.1
97.02893	0.7
97.06532	0.3
98.97573	0.5
99.04422	0.5
103.03948	1.9
105.03397	100.0
105.04543	2.6
107.04967	0.3
107.08581	0.8
109.02889	4.4
109.10165	0.5
111.08103	0.2
119.04957	2.9
119.08598	0.7
120.49512	0.2
121.10152	0.6
123.04391	0.4
123.08116	0.4
125.09661	0.4
127.03930	1.9
131.08577	0.3
133.10115	0.5
137.09578	0.3
142.21407	0.2
145.10019	0.2
147.04420	14.2
151.11180	0.2
169.04951	0.9
173.13356	0.3
182.92842	0.2
183.75020	0.3
187.06004	0.4
199.70294	0.2
231.06596	0.6
270.46310	0.3
273.18622	0.6
282.72192	0.3
291.08664	1.7
291.19550	0.8
309.09863	1.0
309.20264	0.6
333.98846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.2
61.02931	1.5
62.77553	0.3
65.03953	0.3
69.03433	2.8
69.54720	1.1
71.04961	0.3
73.54664	0.2
81.03427	1.2
85.02917	1.2
91.05482	6.2
97.02901	0.4
97.78035	0.2
98.20717	0.2
107.04932	0.4
109.02878	0.7
119.04945	19.5
120.12444	0.2
127.03934	1.8
134.30818	0.2
136.82036	0.2
147.04413	100.0
148.04750	0.5
159.04324	0.2
165.05498	1.3
186.69054	0.2
263.44522	0.2
291.08627	1.7
309.09659	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	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.2
61.02922	0.8
65.03942	0.4
69.03431	4.0
69.39989	1.6
72.34465	0.2
78.97321	0.2
81.03411	1.0
85.02911	0.8
91.05488	5.5
97.02914	0.4
107.04942	0.4
109.02871	0.2
119.04955	17.6
127.03896	1.9
147.04420	100.0
148.04779	0.7
165.05501	1.2
219.09665	0.3
286.91357	0.2
291.08655	1.4
294.18350	0.2
309.09738	5.0
333.91342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.28452	0.2
57.03423	0.4
61.02933	1.3
65.03931	0.4
68.65522	0.2
69.03431	2.5
69.64490	1.3
81.03419	1.6
85.02900	1.4
91.05488	7.7
97.02875	0.5
100.62547	0.2
107.04952	0.4
109.02869	0.7
119.04957	17.1
127.03917	1.7
147.04424	100.0
148.04773	0.6
165.05481	1.8
250.06111	0.2
291.08618	2.1
309.09711	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.3
65.03939	0.4
66.86987	0.2
67.89917	0.2
69.03438	3.0
69.57851	1.2
77.61191	0.2
81.03410	0.7
85.02904	0.6
91.05485	5.8
97.02898	0.5
99.04440	0.2
109.02859	0.4
119.04952	19.8
125.58070	0.2
127.03929	1.6
140.61938	0.2
147.04419	100.0
148.04800	0.5
165.05499	1.2
243.49619	0.2
252.28838	0.2
291.08676	0.8
309.09689	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86007	0.2
54.47387	0.2
61.02914	0.7
69.03432	6.1
69.42434	0.6
69.42860	0.8
74.29400	0.2
81.03437	0.3
85.02913	0.4
91.05485	6.0
97.02867	0.5
99.04447	0.3
99.93228	0.2
107.04970	0.3
109.02867	0.5
119.04945	18.3
125.88774	0.2
127.03922	3.2
141.32222	0.2
145.64140	0.2
147.04413	100.0
148.04771	0.6
165.05467	1.1
168.68105	0.2
231.06627	0.4
265.25031	0.2
291.08612	1.3
309.09714	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55616	0.2
57.03442	0.2
61.02917	0.5
63.11734	0.2
65.03933	0.5
66.87392	0.2
67.70303	0.2
69.03430	6.3
69.26572	1.3
74.38697	0.2
81.07063	0.2
85.02897	0.5
89.37915	0.2
91.05482	7.3
97.02873	0.4
97.96676	0.2
98.21503	0.4
99.04436	0.2
107.04984	0.3
108.69679	0.2
109.02878	0.6
110.18461	0.2
113.05991	0.5
119.04949	19.1
121.19760	0.2
127.03924	2.9
147.04413	100.0
148.04752	0.7
165.05505	1.2
177.19736	0.2
198.10768	0.2
291.08624	1.1
309.09671	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	309.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01855	0.2
55.05498	0.5
56.96556	0.5
57.03428	0.5
61.02919	0.7
65.03930	0.5
65.70630	0.2
65.73895	0.2
67.05492	0.4
68.99787	0.2
69.03428	6.7
69.07064	0.7
71.04999	0.3
71.19625	0.3
73.02914	0.3
73.85925	0.2
79.05476	0.9
81.03412	0.8
81.07050	0.7
84.08138	0.4
85.02903	1.9
91.05483	7.0
93.07055	1.9
95.04969	0.7
95.08580	0.6
95.50835	0.2
97.02875	0.8
97.06503	0.3
98.97591	0.6
99.04452	0.5
105.07031	0.5
107.04955	0.8
107.08583	1.7
109.02894	0.7
109.06493	0.3
109.10164	0.4
110.06010	0.3
116.98566	0.3
119.04942	19.3
119.08582	0.6
123.04434	4.6
127.03907	3.6
129.03096	0.3
129.05516	0.3
135.11700	3.1
136.07564	0.3
137.05975	0.4
140.07108	0.6
142.49820	0.3
144.99307	18.4
145.04913	0.3
147.04408	100.0
152.07036	1.7
153.12753	0.7
161.06009	0.3
163.03946	0.7
164.07114	0.3
165.05489	1.8
167.03624	0.3
177.05397	0.3
177.06740	0.4
181.04927	0.3
187.03667	5.8
187.07410	0.3
189.05626	0.2
201.05580	0.3
203.05273	4.7
205.04834	0.3
236.74451	0.2
249.14174	0.2
273.12314	0.5
291.08759	1.6
291.12711	0.5
291.15884	0.3
309.04034	19.1
309.09558	9.9
309.14172	0.7
310.04459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0946
Annotation	Clobenpropit
Peak:m/z	Relative Intensity
56.96552	0.5
57.97254	0.3
69.03413	1.3
69.52776	0.5
85.02908	2.0
90.00316	0.4
91.05487	1.3
93.07002	0.4
95.08556	0.5
97.02891	0.9
98.97575	1.4
116.98594	0.5
119.04969	3.8
127.03934	0.9
135.11703	0.7
144.99304	0.4
145.04959	0.6
147.04413	14.8
158.99611	0.5
165.05496	0.5
165.89975	0.5
185.04208	1.7
254.31032	0.4
264.08643	0.4
269.68048	0.4
291.08762	0.5
309.09448	100.0
310.09659	0.9
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
53.03926	1.6
55.01857	1.7
55.05511	11.0
57.03423	1.3
57.07070	1.3
59.04998	2.8
60.47227	0.6
65.03933	0.9
67.05506	17.4
69.03434	0.8
69.07064	8.9
70.61217	1.7
71.04992	9.2
73.06544	2.2
77.03938	0.7
77.37689	0.6
79.05495	17.3
81.03403	0.7
81.06590	1.0
81.07059	19.8
83.04957	1.5
83.08611	4.4
85.06531	2.3
85.92939	0.6
87.04436	0.8
91.05485	24.3
93.06484	1.2
93.07047	21.1
94.04178	0.8
94.18479	0.6
95.04967	4.8
95.08608	14.8
97.06528	8.1
97.10154	2.4
99.08075	1.3
103.05475	1.4
105.07033	31.2
105.89743	0.7
106.74113	0.6
107.04934	1.2
107.08595	13.2
108.05729	1.0
109.06525	13.0
109.10152	9.6
110.07309	1.4
111.08063	2.1
117.07011	7.3
119.08587	23.5
121.02881	1.2
121.06510	5.3
121.10136	10.0
123.08073	9.4
123.11668	2.3
125.09601	2.1
128.06305	0.7
129.07024	1.4
131.08575	7.4
133.06551	0.7
133.10133	15.7
135.08055	7.2
135.11694	5.0
136.08852	1.0
137.06061	0.5
137.09631	7.7
139.11163	1.1
143.08545	1.8
145.10114	9.1
147.08080	1.0
147.11697	13.6
149.09621	5.0
149.13220	1.3
151.11185	13.8
155.08534	0.7
157.10123	1.7
159.08032	0.7
159.11702	5.7
161.09593	0.8
161.13234	4.0
163.11174	6.6
163.14758	1.0
165.12787	6.1
169.10149	2.1
171.11668	2.4
173.09715	0.7
173.13295	4.3
175.14781	0.8
177.12790	3.6
179.14302	3.3
183.11674	1.2
187.11217	0.8
187.14813	1.4
189.12741	0.7
189.73607	0.7
191.14279	1.8
197.13235	3.4
201.12827	0.7
203.99947	0.7
205.15871	0.7
211.14883	1.0
213.16531	0.9
215.14325	0.9
229.19527	5.1
233.15350	1.4
237.14830	1.0
239.18027	7.8
247.20567	2.8
249.18533	1.8
257.19009	9.2
265.18167	1.2
275.20068	39.5
289.21536	0.8
307.22668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03945	0.3
55.05508	0.4
56.96566	0.5
57.07064	0.3
57.09141	0.2
66.04714	0.3
67.05504	0.6
69.07072	1.2
69.35373	1.2
69.35777	0.4
71.08628	0.8
79.05478	0.8
81.03426	0.3
81.07056	1.9
83.08611	0.3
88.07635	0.2
91.05463	0.9
91.05957	0.2
93.07026	0.8
94.04178	2.1
95.04961	0.4
95.08617	1.1
97.06537	0.2
99.08089	0.3
103.55778	0.2
105.07030	0.3
107.04902	0.2
107.08574	0.4
109.06525	0.5
109.10179	0.3
121.06497	0.4
121.10212	0.2
122.03656	6.7
128.10718	0.3
135.11667	0.3
137.05983	100.0
137.13245	0.7
138.06322	0.7
140.47057	0.2
149.13371	0.3
155.14317	0.3
165.12766	0.5
172.16977	1.3
184.16982	3.3
187.56142	0.2
262.03070	0.2
267.09079	0.6
275.62521	0.4
284.62952	0.2
285.10178	1.0
291.23163	1.6
297.15393	0.4
308.22516	0.7
308.25983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03942	1.8
54.81366	1.3
55.01873	7.5
55.05515	40.1
57.03440	37.0
59.05028	1.4
65.03939	1.8
67.05175	2.7
67.05509	36.1
69.03445	3.9
69.07068	7.9
70.02642	1.4
70.39716	2.9
70.40084	3.3
71.04985	2.8
79.05499	35.8
81.03423	5.3
81.07063	26.9
83.04996	6.7
83.08620	16.3
85.06577	2.1
85.26044	1.6
91.05479	23.6
93.07032	14.8
95.04960	6.6
95.08617	9.7
97.06557	2.4
97.10175	27.7
98.20818	1.5
103.05470	1.2
105.07035	12.9
107.04957	20.1
107.08601	21.3
109.06551	8.9
109.10155	9.6
111.08094	4.0
115.05467	2.9
117.07021	15.0
119.08583	15.0
121.06521	8.4
121.10161	3.5
123.04488	1.8
123.08090	3.4
125.09640	25.9
128.06232	1.5
129.07027	2.6
131.04945	3.1
131.08559	9.0
132.24765	1.4
133.10164	3.0
135.08073	20.4
135.11740	1.6
137.09644	5.7
139.03891	3.2
141.06990	2.1
142.93007	1.5
143.08572	4.7
143.10738	1.7
145.06497	5.3
145.10121	6.0
147.08041	6.3
147.11711	2.3
149.09599	3.4
151.07602	1.8
151.84167	1.4
153.09120	8.2
155.08531	1.8
157.10158	3.5
158.45769	1.4
159.08064	57.8
159.11703	3.3
160.08859	4.6
161.09644	4.9
163.07564	6.6
163.11165	2.7
169.10097	3.1
171.10190	3.0
171.11658	2.2
173.09668	5.5
173.13289	2.5
177.09174	4.7
183.11685	1.8
185.09691	4.3
187.11192	1.8
187.14832	5.6
189.11226	11.6
189.12796	2.4
193.12265	4.1
197.09566	1.6
197.13341	3.5
198.82840	1.5
199.11278	1.6
211.11137	1.9
215.14311	12.4
233.15358	21.8
243.17535	4.6
253.15845	8.8
261.18707	2.1
267.94696	1.4
271.16937	35.4
272.07501	1.6
289.17996	100.0
307.09747	1.5
307.18994	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03933	6.8
55.00802	2.4
55.01875	28.0
55.05267	4.1
55.05512	45.2
57.03436	7.0
57.07069	3.5
65.03940	3.0
67.05502	54.0
68.68947	2.6
69.03432	5.6
69.07066	33.5
70.02095	6.3
70.02475	5.6
71.04982	5.8
71.08630	4.6
76.95179	2.3
79.05492	55.6
81.03425	6.8
81.07058	57.6
83.04983	11.2
83.08617	22.3
85.06545	6.0
91.04963	4.3
91.05482	36.5
93.07049	48.3
95.04967	23.2
95.08001	3.1
95.08607	44.6
97.06516	21.7
97.10169	23.1
98.06036	5.4
98.21488	4.7
99.08109	3.1
105.07035	47.8
106.46532	2.4
107.04976	13.8
107.08595	86.2
109.06519	60.1
109.10158	21.5
111.08071	29.8
117.07020	9.4
119.08582	29.5
121.02879	2.9
121.06503	8.2
121.10154	17.3
123.08073	8.4
123.11715	5.1
125.06055	2.6
125.09631	20.0
129.06995	4.3
131.08577	21.1
133.10144	25.8
135.08040	14.0
135.11719	6.4
137.05977	12.9
137.09622	19.3
138.06323	7.6
139.11165	5.2
145.10147	20.7
147.11702	16.3
149.09637	24.0
149.13274	3.3
151.11177	4.5
153.09106	5.8
157.10097	4.0
157.12248	3.6
159.11746	12.2
161.09581	3.0
161.13271	5.5
163.11195	9.3
165.09160	4.6
165.12779	9.4
171.11752	5.5
173.13295	9.5
175.11227	2.7
177.12782	4.0
191.03712	2.8
191.14285	4.4
203.12773	19.9
205.12367	3.6
229.19502	4.6
239.18117	3.5
243.09077	6.8
247.20657	6.8
251.16393	9.0
257.19058	18.4
261.02963	2.6
261.10162	3.5
275.20062	84.5
287.08069	2.4
289.21649	23.3
305.15024	3.6
307.19141	5.3
307.22729	100.0
307.28201	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1906
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.02377	1.6
53.03957	9.3
54.76256	1.2
55.01881	8.0
55.05515	13.9
55.37477	1.2
56.96564	2.8
57.03442	9.4
65.03945	1.6
67.05514	22.4
68.99763	1.7
69.03416	4.7
69.07079	10.3
71.04980	2.2
71.27789	2.5
77.03942	2.5
79.05086	1.5
79.05506	29.4
79.05958	1.5
81.03425	8.3
81.07065	29.3
83.04987	9.7
83.08645	7.9
85.06528	3.0
88.00269	1.2
91.05489	53.8
93.07053	88.8
95.04980	20.2
95.08076	1.5
95.08621	22.1
97.06526	4.7
97.10170	9.9
98.97607	1.6
99.08059	1.5
103.05480	15.4
105.03419	1.7
105.04516	4.3
105.07034	25.9
107.04966	15.9
107.08597	16.3
109.02866	2.3
109.06522	9.7
109.10166	9.3
111.08075	4.6
115.05428	1.9
117.07043	8.2
119.01917	2.4
119.08584	15.4
121.02875	15.1
121.06516	100.0
121.10150	11.6
123.04375	2.1
123.08051	5.2
123.11678	1.9
125.09633	7.7
129.07024	4.1
131.08600	10.8
133.06517	11.0
133.10138	8.1
135.04404	1.8
135.08075	15.2
135.11697	2.2
137.05986	2.0
137.09602	7.9
137.13240	1.3
139.03899	2.8
139.07475	1.5
141.07004	1.7
143.08580	3.4
145.06424	1.4
145.10152	7.1
145.75316	1.4
147.08069	6.9
147.11671	3.0
149.06015	4.0
149.09660	8.0
149.13332	1.5
151.03874	1.9
151.07547	6.5
151.11186	1.5
153.09102	3.4
155.08609	2.9
157.10129	2.9
159.08113	6.1
159.11710	3.2
161.09598	4.0
163.07552	17.9
163.11177	1.4
167.10750	3.1
169.10155	2.1
171.07974	1.5
171.10150	1.8
173.09616	4.3
173.11742	1.9
175.11128	2.0
177.09143	3.1
183.11710	2.0
187.11198	2.7
187.14906	1.8
189.11255	3.9
189.12796	1.7
191.10655	2.4
195.10123	1.7
197.13391	2.0
200.96097	1.5
215.14507	2.1
225.16553	2.2
233.15401	4.4
235.13216	2.1
243.17410	3.7
253.15840	2.6
261.18558	4.8
266.06332	1.9
270.71686	1.2
271.16873	7.8
275.43048	1.4
289.17996	44.4
289.21307	2.8
307.19049	18.5
307.26392	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	307.129
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01872	1.3
56.96556	0.4
58.80722	0.2
67.05489	0.3
68.01424	0.2
69.07075	0.7
69.92997	0.9
69.93410	0.4
71.04968	0.6
78.60275	0.2
79.05491	0.6
81.07050	0.6
84.89958	0.3
85.02891	0.5
91.05480	0.7
93.07039	0.7
94.06569	0.5
97.06497	0.4
98.06045	0.8
98.21394	0.5
98.97567	0.4
98.98499	0.2
99.04507	0.4
103.03960	0.3
105.07025	0.5
107.04939	0.5
107.08585	0.9
108.04482	0.8
109.06516	0.4
109.10144	0.4
110.06019	0.3
111.41087	0.3
112.07522	0.3
117.07031	0.2
119.08598	0.3
120.04416	0.4
121.49177	0.3
122.06026	1.8
123.04431	0.4
123.08052	0.3
124.07570	0.5
127.03855	0.5
129.06972	0.3
131.08557	0.5
132.08075	0.3
133.06479	0.4
134.06068	0.3
135.08107	1.4
136.07568	0.7
138.05475	0.3
139.03918	0.8
140.07051	2.3
146.06021	0.3
146.09666	0.3
150.05530	0.3
150.09106	0.4
156.08089	0.5
157.06526	0.3
159.08008	0.3
159.09238	0.3
160.07622	1.7
161.08342	0.4
161.09663	0.4
162.09129	0.6
163.03920	0.4
163.08659	0.9
164.07034	0.4
168.06552	2.0
170.09622	0.5
172.07565	0.3
173.07124	0.5
174.09158	1.6
177.10214	1.4
178.08636	12.2
182.08151	0.9
183.09282	0.2
184.07556	1.7
186.09192	0.7
187.08696	0.8
188.07063	2.6
188.10695	0.3
189.10286	0.4
190.08525	0.4
191.08139	1.0
193.09758	0.3
196.09763	0.5
198.09146	1.3
199.08710	0.3
200.10715	0.4
201.06563	0.6
201.10234	2.3
202.06844	0.5
202.08623	4.3
204.10289	0.4
205.09769	3.4
206.08133	2.3
208.07457	0.2
211.08609	0.3
212.07066	0.9
214.07185	0.3
215.08110	0.3
215.11812	0.5
216.10306	2.1
217.09644	0.4
219.07704	1.1
219.11285	4.4
220.09735	2.2
225.10242	0.3
226.08548	1.9
228.10312	0.3
229.09773	4.4
230.08121	2.5
243.11316	1.6
244.09686	3.6
246.11351	0.3
247.10788	9.8
248.09123	0.8
253.09647	0.3
254.08136	0.7
261.12439	1.2
261.23840	0.3
262.10822	1.5
265.11829	12.5
271.10831	1.2
272.09158	1.6
279.13470	0.3
283.08389	0.4
289.11832	13.6
290.10278	0.4
306.34067	0.3
307.12881	100.0
308.13147	0.6
320.50571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1751
Annotation	Creoside II
Peak:m/z	Relative Intensity
53.03945	2.1
55.05502	6.4
56.96554	2.9
57.03421	2.5
61.02921	2.2
64.39639	1.6
65.03937	1.7
67.05507	20.7
69.03429	3.2
69.07064	4.0
70.05770	4.7
71.04980	5.2
74.06063	5.8
75.06385	2.5
79.05490	6.3
80.78877	1.5
81.03403	5.3
81.07050	7.9
83.04977	1.3
83.08610	5.0
83.47842	1.3
85.02893	9.7
85.06545	27.4
91.05474	8.9
93.07020	4.7
95.04955	3.3
97.02890	3.9
97.06528	4.9
98.97581	3.3
99.04430	3.1
105.07018	3.9
107.08559	4.8
109.02881	3.4
109.10162	23.6
121.10120	1.9
123.08139	1.8
123.11739	2.0
125.09644	1.7
127.03903	4.8
127.11198	100.0
133.10139	4.9
135.08072	2.1
139.03900	8.5
144.06616	2.1
145.04901	3.0
145.12241	82.4
147.04366	5.2
149.09586	2.8
151.11209	2.0
153.01793	2.9
157.72052	1.6
163.03859	3.2
205.05476	1.8
223.06459	2.3
247.06088	1.7
265.07370	3.4
265.18069	1.5
269.61804	1.4
275.19965	2.3
283.08514	6.8
289.11212	3.1
307.08560	2.3
307.12601	4.9
326.17181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0814
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
53.00306	0.6
53.03948	0.3
55.01869	1.0
55.05513	0.3
56.96562	0.5
57.03457	0.3
65.03939	1.2
66.42452	0.2
67.05508	1.2
68.99801	1.0
69.03429	0.5
69.07066	0.2
71.23037	0.4
73.02905	0.2
79.05495	0.8
81.03411	0.5
81.07052	0.7
83.04976	0.7
83.08636	0.2
84.04514	0.2
85.02895	0.9
85.06526	0.3
89.03902	0.2
91.05476	0.7
93.03396	0.9
93.07056	1.0
95.04974	1.5
95.08627	0.3
97.02889	0.6
97.06512	0.4
98.97592	0.7
99.04442	0.3
103.05415	0.4
105.03368	0.3
105.07034	0.5
107.04961	1.4
107.08627	0.3
110.98933	0.2
111.04441	1.4
121.02901	1.0
121.06564	0.3
121.10152	0.4
123.04430	1.4
127.03928	1.8
127.07561	0.8
131.04935	1.0
133.02847	1.6
135.04443	2.8
136.07593	0.4
139.03906	100.0
145.02831	0.5
145.06563	0.3
149.06007	1.3
151.03917	4.1
153.01854	0.5
153.05457	1.0
155.03430	0.6
159.04445	2.0
161.05969	0.2
163.03915	9.6
165.05612	0.2
167.07095	0.4
169.04977	2.6
173.05951	0.4
175.03928	0.2
175.08713	0.6
177.05467	2.8
181.04971	5.5
193.05028	0.2
195.06517	3.0
201.05536	0.3
205.04970	0.8
219.06578	0.3
223.05991	1.2
230.79993	0.2
247.05908	1.0
271.10513	0.2
276.28015	0.2
289.07074	0.9
289.11447	0.4
307.08298	1.1
307.12344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
56.67062	2.2
56.96301	2.9
56.96566	44.0
57.03421	5.5
57.74580	1.8
61.02922	5.0
61.76975	2.0
69.03429	14.0
69.86120	5.9
69.86536	4.7
70.98121	6.3
71.04997	4.1
71.95251	2.7
81.03391	6.3
82.99836	3.1
84.96018	10.6
85.01363	2.2
85.02905	26.6
87.04448	5.0
87.86739	2.1
88.99149	2.9
97.01441	2.7
97.02880	12.0
98.97585	97.2
99.04425	4.0
100.97207	2.3
100.98021	3.1
100.99132	5.9
101.00892	18.9
103.02454	4.9
105.02016	2.0
109.02859	4.9
110.97581	27.8
112.99159	9.9
113.00833	4.6
115.02413	7.3
116.07090	3.6
116.98615	24.9
119.00189	5.4
119.01926	28.7
121.03519	2.1
124.95484	2.4
124.99126	4.4
126.97015	2.4
127.00613	3.4
127.02428	3.5
127.03902	6.9
128.98607	20.0
129.03975	2.3
131.00159	7.0
131.01921	13.2
133.03442	7.1
134.99609	3.8
139.02342	2.8
140.98561	5.0
142.96500	2.5
143.00183	9.7
143.01889	14.3
144.98067	4.3
145.01724	8.0
145.03430	20.9
145.04626	3.6
146.99593	10.9
147.04974	2.5
152.98567	8.7
155.01904	11.9
155.76244	2.0
157.01706	3.8
157.03445	20.0
158.99644	12.2
159.05034	5.7
160.03816	2.9
161.01195	4.4
161.02924	20.6
163.02765	21.2
163.04323	4.2
165.00757	2.5
168.03531	4.1
168.99776	2.8
169.04388	8.3
170.95999	6.7
170.99666	7.8
172.97594	5.7
173.01378	2.9
173.02942	10.1
174.99161	2.7
175.02899	2.5
175.04517	10.4
177.00710	5.9
177.02222	2.6
177.04100	5.1
177.26430	2.0
181.03783	4.0
187.00835	3.8
187.02725	3.1
187.04480	7.1
187.06265	2.0
188.97058	10.8
189.00620	4.6
189.02350	2.2
189.06120	2.9
190.98669	4.2
196.54607	3.0
199.02788	2.9
199.04521	6.2
201.00746	6.0
202.98627	2.4
203.03979	9.4
205.01982	3.2
205.03851	5.2
205.05565	3.4
207.01778	2.3
215.00349	5.8
217.01964	2.8
217.03813	3.8
218.99783	3.5
219.01801	32.7
219.03722	4.1
220.99730	2.7
221.05026	13.0
226.06012	5.5
229.01923	4.2
230.98190	3.4
232.99593	3.6
237.02846	21.5
247.02917	7.7
247.06807	20.3
251.00684	7.9
263.00812	6.7
265.05847	29.1
265.07849	20.8
283.07025	6.9
289.03781	2.7
307.07681	100.0
325.07941	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	306.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
56.05042	3.1
56.96569	3.1
57.03433	4.2
58.99590	3.2
65.03946	2.0
67.05523	2.7
69.03434	8.2
69.07077	6.7
69.73785	10.1
70.87206	1.8
71.04998	2.3
74.06089	31.8
79.05501	4.3
81.03429	4.9
81.07072	5.2
85.02902	6.3
86.99055	2.3
91.05494	12.3
93.07050	20.2
95.04964	4.9
95.08605	3.3
97.06556	4.9
98.06087	4.8
98.97597	4.4
102.05546	4.7
105.00110	5.0
105.07047	9.9
107.05032	2.0
107.08599	10.5
109.02882	6.8
109.06532	5.8
109.10194	2.7
110.03232	2.9
116.07108	12.4
120.06593	14.1
121.06527	11.0
121.10155	28.1
121.10933	2.6
123.04436	7.0
123.11716	8.0
124.04789	5.5
125.05988	2.1
127.03899	8.2
128.04242	4.1
129.07036	3.0
131.08582	29.2
133.02808	2.0
133.10109	2.3
134.03192	2.5
137.05980	10.7
139.03877	14.3
139.11195	7.1
140.04283	6.8
141.03606	1.9
144.06554	10.7
147.04440	3.5
148.04796	2.1
149.02412	2.0
149.09634	100.0
150.02678	2.7
151.03934	15.7
152.04257	11.6
152.05573	3.6
153.01886	3.7
155.03410	3.7
156.03763	4.8
162.07648	5.6
167.10680	32.3
179.03378	2.5
186.06337	2.2
204.03818	2.9
213.05759	2.2
214.05844	2.9
220.06714	1.9
260.06415	5.7
262.76865	1.6
271.10034	22.5
276.05823	2.6
278.07578	2.6
288.05930	9.6
306.06644	5.0
306.15207	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	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26375	0.4
51.69147	0.3
58.34906	0.3
58.61943	0.3
58.82568	0.3
64.45573	0.4
69.07064	1.7
70.78835	0.8
79.05489	0.7
79.08977	0.3
81.07076	0.6
84.08128	0.3
89.79797	0.3
91.05486	0.4
94.04175	1.7
97.06556	0.3
107.08606	0.7
108.39993	0.3
109.10145	0.4
114.09138	0.4
122.03659	5.3
133.10107	0.7
135.11710	1.0
137.05984	100.0
138.06238	0.3
151.11221	0.5
153.12727	0.9
170.15424	1.9
182.15445	3.4
190.46356	0.3
221.52919	0.3
284.70947	0.4
306.20639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25184	1.1
55.01868	1.7
56.05032	1.5
56.96562	6.8
57.03434	1.9
58.99871	1.5
61.02936	8.0
69.03426	4.7
69.35645	1.9
69.36049	5.8
70.99835	1.2
71.05009	1.5
72.54261	0.8
73.02908	1.8
76.04019	1.8
79.05503	1.3
81.03429	2.2
81.07062	1.2
82.99821	5.1
83.05003	1.2
84.04504	9.0
85.02906	7.6
85.06519	1.1
87.00847	1.6
93.07053	1.0
97.01385	2.7
97.02901	3.8
98.21470	1.7
98.96950	0.9
98.97585	3.7
99.04446	2.3
99.10030	1.1
100.58333	1.0
101.00884	49.7
103.02483	1.0
109.02892	1.7
110.97592	1.1
113.00852	5.7
113.02393	2.4
115.02444	16.6
116.98624	1.6
117.03986	1.7
119.01925	100.0
120.02019	1.0
121.01654	1.6
126.98776	2.3
127.02381	2.4
127.03904	8.4
128.58176	0.9
128.98640	1.3
129.03981	6.6
130.05031	4.8
131.01912	14.1
133.01773	0.9
133.03476	20.2
133.04417	1.9
135.05022	0.9
137.02966	15.8
138.70152	1.0
139.03955	2.8
142.03363	1.3
143.01895	12.5
144.99818	4.3
145.03432	8.4
145.04927	2.8
146.99673	1.2
147.01405	2.6
147.03137	1.3
147.05072	4.9
149.02968	2.4
151.04575	1.6
155.01941	5.5
157.03465	6.2
159.01430	4.4
160.01134	1.2
160.04289	1.1
161.02971	21.4
163.02786	1.6
163.04504	2.9
167.01968	1.1
168.99826	16.3
169.03462	1.8
171.00011	1.0
171.01427	2.8
173.02960	11.8
175.02684	1.7
175.04555	5.1
177.02379	13.0
181.01596	1.3
185.02956	1.9
186.07639	2.4
187.00882	32.8
187.04486	2.3
188.97090	1.4
189.02464	3.6
190.98602	1.1
191.03999	6.0
196.99342	11.4
199.00952	2.1
199.04626	1.1
201.02420	3.5
203.04022	3.7
205.01981	11.5
205.05589	3.4
207.03613	1.1
208.99759	2.3
211.02757	2.1
215.00375	45.3
217.01987	3.4
217.05566	2.7
219.03534	10.9
220.03215	1.8
221.05128	3.7
225.92482	0.9
229.01947	23.6
229.04037	1.7
231.04256	3.0
233.01451	4.6
237.04767	1.3
239.06120	1.9
245.05193	1.6
247.03003	76.3
247.06897	3.2
265.04102	14.7
265.07294	7.1
270.04672	1.7
288.98788	2.0
289.04044	14.4
289.08670	1.7
307.05011	9.2
307.09811	41.8
308.09131	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03938	7.6
55.01854	3.2
55.05516	28.4
56.96571	13.8
57.03419	2.3
57.07058	6.9
59.04979	2.2
63.87799	1.5
65.03946	2.1
65.13307	1.4
67.05507	37.3
69.03418	6.0
69.07067	37.7
69.07639	1.5
71.04994	4.3
71.08611	1.7
73.02850	1.4
77.03906	2.7
79.05076	1.9
79.05496	31.1
81.03426	10.0
81.07059	100.0
83.04970	7.0
83.08621	13.1
84.96018	2.2
85.02896	1.8
85.06544	3.9
91.05482	32.9
93.07047	89.5
95.04969	10.0
95.08614	76.4
97.02900	1.7
97.06558	9.0
97.10171	15.2
98.97572	7.1
99.04423	2.7
99.08060	3.9
101.00887	1.9
103.05441	1.9
105.00225	1.7
105.02715	3.0
105.03397	44.1
105.04488	3.4
105.07033	38.9
107.04955	7.4
107.08604	85.8
109.02873	12.1
109.06512	6.4
109.10159	42.0
110.97585	1.6
111.08063	8.8
111.11713	4.9
116.98611	4.5
117.07009	4.1
119.01917	3.6
119.04950	1.7
119.08587	35.3
121.06516	2.0
121.10149	63.6
123.04410	11.4
123.08102	4.1
123.11708	23.2
125.05959	1.4
125.09653	5.6
127.03918	21.2
128.98586	2.2
131.04916	4.4
131.08575	5.1
133.02849	3.2
133.10126	23.5
135.11702	35.0
137.09612	4.8
137.13284	10.6
139.03906	25.0
139.11169	5.8
143.00221	2.0
143.08543	2.4
145.10161	12.1
147.01382	1.9
147.03368	1.8
147.04390	7.9
147.08072	1.7
147.11696	27.2
149.01219	3.3
149.02318	2.1
149.09663	3.1
149.13263	81.5
151.03914	39.0
151.11148	7.4
151.14871	2.2
153.01884	2.1
153.12721	3.0
155.03400	12.5
157.10106	4.1
158.99606	1.7
159.11667	9.2
161.09613	2.1
161.13258	11.3
163.11150	3.3
163.14822	13.9
165.12746	3.5
167.00153	8.1
169.01692	2.5
171.02950	1.7
173.13266	5.7
175.03905	4.0
175.14838	7.6
177.12755	5.3
177.16385	8.6
179.03435	8.2
179.14270	2.3
185.01273	9.5
185.13318	2.8
187.02791	3.9
187.14822	3.0
189.00734	1.7
189.16389	10.3
191.14360	2.7
191.17883	1.7
193.15869	3.2
195.13828	2.6
197.01213	3.5
199.99835	2.1
201.16386	2.7
203.02266	2.0
203.17932	3.4
205.15866	2.6
209.15359	3.2
211.02994	1.8
213.05501	3.2
213.16307	2.4
215.18001	2.0
219.17444	1.8
223.16869	1.6
224.08061	6.6
233.08498	1.7
233.10823	1.5
243.25047	2.4
249.18669	2.2
257.04794	2.7
259.06027	1.8
259.24213	3.9
269.22684	6.3
269.52209	1.6
275.05707	6.9
277.07050	6.5
277.25272	3.1
287.05542	9.3
287.16245	4.0
287.23557	13.0
293.06915	2.3
305.06351	3.4
305.10687	2.5
305.14066	2.6
305.17371	7.0
305.21219	5.2
305.24741	71.2
305.28644	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86753	6.0
55.01864	9.3
55.05510	48.7
56.96572	13.6
57.03436	7.5
67.05508	47.9
68.99784	6.6
69.03422	7.0
69.07079	27.5
69.25869	5.1
70.12373	5.0
70.46174	4.7
79.05493	58.2
81.03414	7.9
81.07059	78.4
83.04974	5.3
83.08611	17.3
85.06540	13.1
91.05483	76.7
93.07050	64.9
95.04977	10.4
95.08622	43.2
97.02853	6.0
97.06559	14.2
97.10162	14.8
105.07037	51.3
107.04932	9.9
107.08591	39.6
109.02853	29.7
109.06491	12.8
109.10176	15.4
111.08097	7.3
115.70378	4.7
117.07028	28.4
119.08575	35.0
121.06506	13.7
121.10172	28.6
123.04453	23.8
123.08073	7.3
125.06022	6.0
125.09588	10.1
127.03918	35.3
129.06995	20.4
130.07762	9.2
131.08580	66.0
133.10138	24.7
135.08058	13.9
135.11716	10.7
137.05971	18.1
139.03889	47.7
139.11182	10.0
141.06908	5.9
143.08580	42.7
145.06606	6.1
145.10143	65.8
147.08076	6.6
147.11682	16.4
149.02530	5.5
149.09581	5.3
149.13251	9.7
151.03909	100.0
155.03418	37.8
157.10109	22.5
159.11713	19.3
161.09599	11.0
161.13280	6.5
169.10129	7.9
171.11714	16.0
175.03960	6.3
177.05354	5.2
179.03423	19.0
183.11671	7.0
185.13292	7.7
187.11226	5.7
195.11693	10.1
201.12680	6.5
203.03365	6.8
214.45329	5.4
237.16403	13.1
241.05058	6.9
255.17444	8.7
273.18491	32.7
277.07092	13.2
287.05472	19.8
287.20047	7.6
305.06436	11.5
305.17697	8.4
305.21011	44.2
305.24411	8.9
305.31479	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1595
Annotation	Creoside I
Peak:m/z	Relative Intensity
51.46349	1.3
53.03941	5.5
55.01871	3.6
55.05507	13.9
56.96566	2.2
57.03432	4.7
57.07065	7.0
59.04984	2.6
60.52722	1.5
61.02924	4.5
65.03946	3.8
67.05508	18.2
68.99781	6.0
69.03430	16.7
69.07065	17.3
69.33193	13.6
70.06586	2.3
70.64279	1.3
71.01373	2.3
71.04997	40.8
73.06557	6.2
77.03952	1.5
79.05500	14.7
81.03421	16.9
81.07053	35.5
83.05000	11.4
83.08620	13.3
85.02905	29.9
85.06548	17.9
91.05481	14.9
93.06476	2.8
93.07043	34.2
95.04980	23.9
95.08600	26.1
97.02885	13.6
97.06516	3.5
97.10162	13.9
98.97593	6.9
99.04456	3.9
99.08102	3.3
103.03906	1.6
105.03400	2.6
105.07039	18.6
107.04939	4.6
107.08594	71.7
109.02879	27.0
109.06495	8.8
109.10158	18.7
111.00797	3.4
111.04408	3.0
111.08075	4.5
111.11715	2.9
115.50798	1.5
117.07003	3.8
119.04961	4.8
119.08578	13.9
121.02869	2.5
121.06506	6.4
121.10149	24.6
123.04430	22.9
123.08051	3.9
123.11689	9.6
125.05988	3.4
125.09630	87.5
126.09093	2.7
127.03921	42.7
127.11185	2.4
129.07018	1.7
131.08565	7.9
132.18558	1.9
133.02837	6.7
133.10132	8.0
135.08083	3.3
135.11696	15.2
137.06015	7.7
137.09621	17.5
137.13260	3.4
139.02820	2.3
139.03903	44.4
139.07578	1.6
139.11174	4.0
143.10678	100.0
145.04973	6.4
145.06493	1.7
145.10112	7.4
147.04420	12.2
147.08055	4.8
147.11664	7.0
149.02324	8.0
149.09637	3.9
149.13297	9.3
150.03174	2.3
151.03908	77.3
151.07397	2.0
151.11147	2.9
153.01810	6.2
155.03391	23.1
157.10168	4.6
159.07959	1.7
159.11673	6.0
161.09679	4.3
161.13275	4.3
163.03857	2.2
163.07533	4.1
163.11189	4.3
166.96198	1.5
167.10687	18.8
171.04468	2.2
171.11726	2.2
173.09721	2.3
173.13335	1.9
175.03909	7.5
175.11238	4.7
175.14870	4.0
177.00687	2.3
177.05505	1.8
179.03421	13.6
179.10663	3.1
181.12332	1.7
183.11780	2.2
185.13281	2.6
187.14754	2.2
189.05443	1.9
191.10693	4.0
199.03941	2.9
200.20102	5.1
201.05481	3.1
201.12810	2.2
201.16092	1.7
203.03342	7.8
203.07170	1.7
203.17935	3.0
209.11636	9.7
213.05444	6.1
217.04999	2.2
221.05109	2.0
221.11855	2.4
229.04922	2.8
231.06573	3.7
233.11729	4.6
239.12885	2.2
241.05042	4.9
244.22780	5.8
245.04874	4.6
245.11829	1.8
247.06056	3.1
251.12807	3.6
259.06100	9.4
261.18613	3.3
269.13852	3.5
275.05603	7.7
277.07047	9.8
287.05539	20.4
287.14825	2.7
287.20007	4.4
287.23572	5.3
305.06506	9.0
305.10004	2.5
305.13919	3.2
305.17908	2.2
305.21152	9.1
305.24728	18.2
306.26416	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	305.1594
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03942	2.7
55.01860	2.8
55.05519	6.9
56.96560	4.9
57.03435	8.8
57.07062	4.7
59.04996	2.0
61.02906	4.5
65.03944	1.9
67.01871	1.7
67.05514	6.7
68.99789	3.4
69.03430	13.9
69.07059	3.8
69.54044	6.0
69.54462	3.8
71.04993	34.9
73.02893	1.9
73.06544	6.2
75.90524	1.3
79.05480	6.7
81.03402	10.3
81.07043	6.7
83.05002	7.3
83.08641	7.2
85.02441	2.7
85.02911	37.6
85.06541	18.7
87.04445	1.5
91.03926	2.8
91.05468	5.3
93.07037	6.8
95.04974	10.7
95.08598	2.6
96.08089	1.4
97.02894	14.4
97.06491	2.3
97.10170	12.1
98.20773	3.3
98.97569	7.1
99.04432	6.1
99.08060	1.9
105.03387	2.8
105.07027	3.3
107.04964	19.2
107.08588	55.0
108.05284	16.9
108.08092	4.6
109.02883	13.9
109.06535	2.0
109.10146	2.4
110.06058	1.4
111.00765	1.9
111.04424	3.2
112.09167	1.3
112.99083	1.4
116.98604	2.2
119.07304	2.4
119.08576	3.0
121.02896	4.3
121.06506	3.0
121.10081	1.5
123.04417	22.9
123.08044	2.2
124.04698	2.1
124.07616	3.3
125.09626	100.0
127.03931	27.6
133.02827	3.8
136.07587	29.1
137.02306	11.6
137.05959	3.2
137.09596	4.1
139.03896	28.8
142.08604	3.2
143.07004	1.7
143.10674	92.3
144.10924	1.3
145.04953	5.3
146.05966	2.2
147.04396	3.5
148.07617	1.9
149.02338	15.9
149.09608	2.2
150.03085	1.6
151.03900	35.0
153.01823	17.9
155.03389	14.8
158.99637	1.9
163.03967	2.2
164.07048	9.9
164.70575	1.4
165.05434	2.9
165.09023	2.1
167.03323	1.8
167.10678	9.9
171.02983	2.1
175.03943	7.1
179.03424	9.9
179.10677	2.0
185.05934	1.9
187.02716	1.7
195.02904	2.0
198.11528	1.5
203.03401	6.5
209.11613	2.3
213.05463	4.7
213.13779	1.8
219.01657	1.6
225.10320	1.9
229.04900	1.8
231.06569	10.8
237.02759	1.8
241.04958	3.2
241.13303	5.8
247.05959	2.1
259.06024	13.9
259.14404	9.3
269.12875	13.1
274.75110	1.7
275.05515	4.4
277.07114	6.7
287.05518	18.0
287.13876	11.5
305.03519	1.5
305.06668	8.6
305.11267	5.8
305.14935	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	305.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46349	1.3
53.03941	5.5
55.01871	3.6
55.05507	13.9
56.96566	2.2
57.03432	4.7
57.07065	7.0
59.04984	2.6
60.52722	1.5
61.02924	4.5
65.03946	3.8
67.05508	18.2
68.99781	6.0
69.03430	16.7
69.07065	17.3
69.33193	13.6
70.06586	2.3
70.64279	1.3
71.01373	2.3
71.04997	40.8
73.06557	6.2
77.03952	1.5
79.05500	14.7
81.03421	16.9
81.07053	35.5
83.05000	11.4
83.08620	13.3
85.02905	29.9
85.06548	17.9
91.05481	14.9
93.06476	2.8
93.07043	34.2
95.04980	23.9
95.08600	26.1
97.02885	13.6
97.06516	3.5
97.10162	13.9
98.97593	6.9
99.04456	3.9
99.08102	3.3
103.03906	1.6
105.03400	2.6
105.07039	18.6
107.04939	4.6
107.08594	71.7
109.02879	27.0
109.06495	8.8
109.10158	18.7
111.00797	3.4
111.04408	3.0
111.08075	4.5
111.11715	2.9
115.50798	1.5
117.07003	3.8
119.04961	4.8
119.08578	13.9
121.02869	2.5
121.06506	6.4
121.10149	24.6
123.04430	22.9
123.08051	3.9
123.11689	9.6
125.05988	3.4
125.09630	87.5
126.09093	2.7
127.03921	42.7
127.11185	2.4
129.07018	1.7
131.08565	7.9
132.18558	1.9
133.02837	6.7
133.10132	8.0
135.08083	3.3
135.11696	15.2
137.06015	7.7
137.09621	17.5
137.13260	3.4
139.02820	2.3
139.03903	44.4
139.07578	1.6
139.11174	4.0
143.10678	100.0
145.04973	6.4
145.06493	1.7
145.10112	7.4
147.04420	12.2
147.08055	4.8
147.11664	7.0
149.02324	8.0
149.09637	3.9
149.13297	9.3
150.03174	2.3
151.03908	77.3
151.07397	2.0
151.11147	2.9
153.01810	6.2
155.03391	23.1
157.10168	4.6
159.07959	1.7
159.11673	6.0
161.09679	4.3
161.13275	4.3
163.03857	2.2
163.07533	4.1
163.11189	4.3
166.96198	1.5
167.10687	18.8
171.04468	2.2
171.11726	2.2
173.09721	2.3
173.13335	1.9
175.03909	7.5
175.11238	4.7
175.14870	4.0
177.00687	2.3
177.05505	1.8
179.03421	13.6
179.10663	3.1
181.12332	1.7
183.11780	2.2
185.13281	2.6
187.14754	2.2
189.05443	1.9
191.10693	4.0
199.03941	2.9
200.20102	5.1
201.05481	3.1
201.12810	2.2
201.16092	1.7
203.03342	7.8
203.07170	1.7
203.17935	3.0
209.11636	9.7
213.05444	6.1
217.04999	2.2
221.05109	2.0
221.11855	2.4
229.04922	2.8
231.06573	3.7
233.11729	4.6
239.12885	2.2
241.05042	4.9
244.22780	5.8
245.04874	4.6
245.11829	1.8
247.06056	3.1
251.12807	3.6
259.06100	9.4
261.18613	3.3
269.13852	3.5
275.05603	7.7
277.07047	9.8
287.05539	20.4
287.14825	2.7
287.20007	4.4
287.23572	5.3
305.06506	9.0
305.10004	2.5
305.13919	3.2
305.17908	2.2
305.21152	9.1
305.24728	18.2
306.26416	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	305.0656
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.01594	0.7
50.86216	0.6
52.64194	0.8
55.01864	2.1
55.05489	0.8
57.03426	0.6
65.03935	2.4
66.00756	0.6
67.01865	5.5
67.05496	1.7
68.99799	6.9
69.03416	2.9
69.07079	0.7
69.60985	4.5
70.07364	0.9
79.05487	1.1
79.94247	0.6
81.03411	2.6
82.77301	0.7
85.02890	2.1
85.06516	0.8
91.05447	1.1
93.07031	1.5
95.04968	4.5
97.02881	2.6
97.10169	0.8
98.97581	0.9
99.04452	0.7
105.03386	2.2
105.04552	0.8
105.07044	1.8
107.04987	1.5
107.08595	0.7
109.02895	3.3
111.00816	2.0
111.04453	5.5
121.02863	7.5
121.10155	0.7
123.04431	61.0
125.02359	1.1
125.09634	1.3
127.03925	20.4
129.01857	1.3
129.06990	1.5
133.02811	3.8
135.04427	2.2
137.02316	4.3
137.06047	0.7
139.03911	14.8
143.06970	0.8
143.10709	1.9
145.06525	0.9
147.04437	3.6
147.08046	1.3
149.02348	58.7
149.09593	1.1
150.03082	2.1
151.03914	16.9
153.01831	100.0
155.03423	4.2
157.06470	3.7
161.02324	4.7
161.05983	1.1
163.03877	1.2
165.09171	0.7
167.03424	12.0
171.02911	8.6
171.04294	1.3
175.03897	4.8
175.07547	2.0
179.03404	7.4
183.02840	0.8
185.05998	8.4
185.09933	0.9
195.02904	15.7
203.03374	4.0
203.07031	1.2
213.05467	13.0
217.04959	1.1
224.08195	0.7
231.06532	41.7
241.04991	6.2
245.04535	2.2
250.68198	0.7
258.05206	1.6
259.06024	59.8
269.04437	1.0
277.07135	1.8
287.05518	26.6
287.13815	0.9
305.06570	16.8
305.10001	0.7
305.15466	8.1
326.56720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
54.16564	0.4
55.01867	0.8
55.05508	0.6
56.96574	3.4
57.03445	0.7
61.02916	0.6
65.03944	0.4
67.05507	0.8
68.99808	0.7
69.03436	3.4
69.07063	0.5
70.28304	0.7
71.04988	0.7
73.02907	1.7
77.62257	0.4
79.05494	1.1
81.03412	1.9
81.07069	0.6
83.01373	0.5
84.96013	0.6
85.02904	2.4
87.04440	0.8
90.01553	0.4
91.05488	0.6
95.04951	1.1
96.08141	0.7
97.02892	2.2
98.97597	5.5
107.05000	0.7
109.02893	2.3
110.97568	1.8
111.00777	0.5
111.04417	0.6
112.99158	0.7
116.98635	1.7
121.02878	0.6
123.04446	4.6
124.07599	6.4
124.08479	0.5
125.02379	1.0
125.07953	6.1
127.03919	4.4
128.98613	1.6
133.02837	0.8
134.99652	0.5
139.03909	4.7
142.08571	1.3
143.00148	0.7
143.03433	1.6
143.06923	2.4
143.09024	1.0
145.03189	0.4
147.04411	1.1
149.02400	2.1
151.03928	7.1
153.01831	5.0
155.03397	1.7
155.04575	0.5
158.99664	1.2
159.03256	0.9
161.01207	0.7
161.02867	0.6
161.04875	1.1
163.03912	0.6
175.03954	0.8
179.03397	1.3
179.05916	0.4
193.41522	0.5
195.02989	0.8
196.54855	0.5
201.00662	0.6
203.03622	1.0
203.05759	0.6
213.05522	0.8
217.05310	0.4
219.01746	2.1
231.06516	1.4
237.02834	2.7
241.04956	0.8
259.06097	2.4
263.03519	0.5
277.07095	1.5
287.05621	2.1
305.12091	100.0
306.12524	0.6
309.08630	0.9
323.10211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05857	0.7
56.96568	55.1
57.03423	1.1
61.02924	0.7
69.03433	1.5
70.01360	2.0
70.98125	31.2
71.04968	0.7
71.95267	6.1
72.96054	3.5
74.97640	0.7
84.96045	4.9
85.02905	3.5
88.99174	4.6
97.02895	2.4
98.20756	0.9
98.97588	100.0
101.00877	1.0
102.97002	0.9
107.00217	1.1
110.97575	8.1
112.99146	4.2
113.00793	0.9
113.32288	0.7
114.36404	0.7
115.00695	3.7
116.98624	35.1
116.99455	1.7
124.95481	14.2
124.99118	4.4
125.02354	0.8
126.97061	2.2
127.00684	1.7
128.02193	0.7
128.98616	8.1
130.73947	0.7
131.00204	3.5
131.01900	0.8
131.05515	1.0
133.01741	1.6
133.03471	0.9
134.99638	5.3
140.98613	3.2
142.96541	9.6
143.00151	6.3
143.01941	1.0
143.03404	0.8
144.98117	2.2
145.01750	3.2
145.03459	1.0
146.91901	0.8
146.99690	7.3
149.01326	0.7
149.06686	1.2
152.94951	5.5
152.98615	1.1
154.96552	5.9
156.98070	4.0
158.99670	9.2
160.97647	3.2
161.01279	4.2
161.06718	1.4
162.99158	1.0
163.02931	0.8
165.00751	1.1
170.96022	22.0
170.97475	1.4
170.99756	1.4
172.94353	1.0
172.97607	14.1
172.99107	0.7
173.01268	2.7
173.02922	0.8
173.06612	1.1
174.99138	8.6
177.00758	5.0
177.06085	0.9
184.97597	9.3
185.01260	2.5
185.06705	1.5
186.99152	5.1
187.70091	0.7
188.97069	24.6
189.00706	6.9
190.98624	10.4
191.02348	2.6
193.00291	3.9
193.04388	1.0
201.00688	3.4
202.98637	18.4
203.02296	3.7
203.04070	1.6
203.07607	1.8
205.00218	6.2
206.98174	6.9
207.01750	5.3
208.99597	0.8
212.97061	8.9
214.98651	6.5
215.07784	2.3
217.00200	6.0
217.01949	0.8
219.01776	4.6
220.99725	12.4
221.05226	0.9
223.01350	1.2
224.05595	0.8
230.98135	27.4
232.96460	1.4
232.99706	9.8
235.01292	5.7
237.00655	0.8
237.03043	2.5
239.00858	1.8
244.99678	11.0
245.05212	1.3
247.01160	0.7
248.99199	13.5
263.00732	25.0
267.00299	1.8
281.01773	14.0
281.04559	0.9
299.03110	1.2
305.02005	1.9
305.05664	8.0
305.12082	25.8
323.03107	1.5
323.06729	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.87610	0.3
54.54517	0.3
55.01863	0.4
55.46358	0.2
56.96557	0.8
57.03422	0.4
61.02934	0.5
65.14690	0.3
65.84047	0.3
68.81320	0.3
69.03426	1.1
69.07108	0.3
69.82516	0.3
69.93532	0.7
69.93935	0.9
73.37663	0.3
75.84652	0.3
79.05499	3.7
81.03423	0.4
81.07039	0.5
84.44564	0.3
85.02904	2.4
86.09640	0.3
95.04981	1.6
97.02888	1.2
98.97594	2.3
105.04529	0.7
107.04962	100.0
108.05293	0.5
109.06569	0.4
116.98624	0.6
123.04431	4.7
127.03941	0.4
128.98694	0.4
137.05994	0.6
138.06335	0.4
139.03926	2.0
140.42496	0.3
145.04945	0.3
151.03879	0.3
153.01839	0.5
158.99680	1.1
165.05499	2.1
168.05475	0.6
173.04836	0.3
177.00661	0.4
228.06453	0.3
238.72925	0.3
281.01801	0.4
295.09412	0.6
304.14355	3.3
320.11157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
61.02905	0.4
69.03415	0.6
70.99982	0.6
71.00323	0.3
77.03931	0.4
79.05483	3.8
81.03422	0.4
84.71055	0.2
85.02902	1.5
95.04970	0.8
97.02888	0.9
98.97563	0.6
105.04499	0.4
107.04951	100.0
108.05286	0.5
123.04458	0.8
139.03877	0.5
139.31802	0.3
145.04996	0.4
149.04778	0.3
220.89279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74515	0.5
56.96565	59.2
57.03426	0.6
59.08057	0.4
60.98895	0.5
61.02913	0.8
69.03424	1.3
70.98122	32.0
71.04991	0.6
71.54887	0.8
71.94947	0.5
71.95269	6.2
72.96046	2.7
73.02908	0.6
74.97589	0.8
81.03384	0.7
84.96040	5.7
85.02903	3.7
85.06533	0.5
88.99152	4.5
97.02876	1.8
98.97585	100.0
100.99194	0.5
101.00863	1.0
110.97567	8.5
112.99136	5.2
113.03477	0.8
115.00701	3.0
115.02399	0.6
116.98623	33.6
119.01893	1.8
124.95486	16.3
124.99107	3.2
125.02403	0.6
126.97045	2.0
127.00700	1.8
127.03931	0.7
128.98608	9.0
131.00165	3.7
131.01898	1.1
131.05542	2.1
133.01718	1.3
133.03450	1.2
134.99658	7.2
138.97078	1.0
140.00246	0.7
140.98601	3.6
141.02106	0.5
142.96536	9.6
143.00177	7.1
143.01918	1.2
143.03407	1.2
144.98109	2.1
145.01746	2.4
145.03448	0.9
146.91899	0.6
146.99677	6.3
147.03230	0.5
149.01265	1.6
149.06616	0.6
152.94919	4.6
153.00737	0.6
154.96518	5.1
155.01962	0.9
155.05530	0.5
156.98062	5.0
157.03560	0.9
158.99654	10.1
160.97580	3.0
161.01244	3.9
161.02957	1.1
161.06622	1.1
162.99205	1.0
165.00735	1.6
167.02151	0.5
170.96011	23.9
170.99712	1.9
172.97586	14.6
173.01254	3.5
173.02751	1.0
173.06662	1.4
174.99159	8.9
175.02763	0.5
177.00745	5.7
179.02176	0.7
182.99747	0.8
184.97578	12.4
185.01277	2.2
185.04857	0.9
185.06636	1.1
186.99179	4.8
188.97073	31.7
189.00711	7.8
189.02367	0.7
190.98631	10.1
191.02315	2.4
193.00246	4.6
195.01784	0.6
201.00687	2.9
202.98630	18.6
203.02319	3.9
203.04015	0.9
203.07707	1.9
205.00191	5.6
206.98140	8.0
207.01762	4.5
208.99757	0.9
209.03186	0.7
212.97089	7.5
213.03513	0.6
214.98619	8.3
215.00484	0.8
215.05771	0.6
215.07681	2.0
217.00204	5.4
218.98105	0.6
219.01666	4.3
220.99696	13.5
221.01703	0.8
221.05124	1.5
223.01216	1.3
224.05486	0.7
227.02278	0.5
230.98123	28.1
232.96439	1.0
232.97177	0.9
232.99696	9.5
233.01888	0.6
235.01262	4.6
237.02791	2.8
239.00824	2.0
244.99677	9.7
245.05219	1.3
247.01126	0.9
248.99181	12.9
251.00861	1.4
263.00745	24.8
267.00305	1.7
273.04547	0.6
275.00876	1.4
281.01813	13.1
287.06119	1.0
299.02994	0.9
304.98907	0.7
305.01984	1.9
305.05643	9.4
305.12018	22.5
323.02924	1.4
323.06628	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01868	2.8
56.53444	1.1
56.96562	2.1
57.03439	4.4
58.02939	1.2
58.06593	1.2
60.04523	6.1
61.02927	4.4
62.30476	1.1
65.47359	1.3
69.03434	13.5
69.07075	34.9
69.65730	1.0
70.06585	2.4
71.01364	1.3
71.05006	4.0
71.08637	18.1
71.20391	1.0
71.53461	1.0
71.53865	1.4
72.08132	1.2
72.41509	1.1
73.02930	2.6
73.55042	1.0
73.57813	1.1
79.05501	2.3
81.03425	9.3
81.07057	1.8
83.04990	1.9
83.08630	1.5
84.04506	3.3
85.02912	58.7
86.02441	4.9
86.09705	1.9
91.05505	2.7
93.07045	2.2
95.04980	1.3
96.08130	3.3
97.02898	35.8
97.06555	5.9
97.07071	1.0
98.97598	5.5
99.04429	2.9
103.03934	4.6
104.29184	1.0
106.12592	1.1
107.04953	2.8
109.02879	11.5
109.06463	1.5
110.06001	1.3
114.09183	15.7
116.98620	2.1
123.04445	6.1
124.07601	1.8
126.05479	1.6
127.03932	15.1
130.06592	2.1
137.06001	4.0
138.06393	1.4
138.09166	4.1
139.03923	4.9
140.02327	1.0
142.08647	100.0
145.04993	7.2
147.04370	1.1
149.02348	2.7
150.05460	1.7
151.03954	6.4
152.10738	1.5
153.01854	2.2
154.08629	1.1
155.03429	1.4
156.10220	2.3
158.99599	1.2
161.05913	1.9
167.07059	3.8
168.07388	4.0
177.00702	1.4
180.10283	2.0
183.08052	2.7
184.09709	63.9
185.09259	1.2
194.07346	2.3
195.08148	2.3
208.09702	14.9
211.07651	5.2
219.01868	1.1
220.09724	2.7
222.09038	1.4
223.05481	1.9
223.07555	22.3
227.09184	2.2
236.06265	1.1
238.10692	2.3
241.08641	1.8
250.10812	10.1
255.08684	3.4
259.06070	1.6
264.13947	1.1
268.09592	8.9
286.13000	3.9
294.46341	1.2
304.05502	7.3
304.14474	10.8
305.06558	1.8
305.15613	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03931	0.3
55.01866	0.9
55.05503	1.4
56.96560	0.9
57.03428	0.4
57.07070	0.3
61.83549	0.3
65.03938	0.7
67.05502	2.5
68.99796	1.7
69.03422	1.1
69.07068	1.3
71.04968	0.6
71.54726	0.4
77.03896	0.3
79.05489	2.0
81.03413	1.1
81.07062	4.7
83.04984	2.2
83.08611	0.6
85.02905	1.0
85.06528	0.8
91.05484	2.4
93.03421	0.6
93.07050	3.3
95.04964	2.6
95.08620	3.7
97.06517	1.0
98.97564	1.9
99.04472	0.5
99.08098	0.6
105.07033	2.7
105.68936	0.3
107.04947	1.1
107.08591	2.9
109.02890	1.6
109.06502	1.4
109.10157	2.4
111.00833	1.5
111.08115	0.7
116.98614	0.4
117.03391	0.8
117.06997	0.9
119.04945	0.8
119.08595	3.5
120.08077	0.7
121.02853	1.7
121.06507	0.5
121.10149	1.6
122.03648	0.4
123.04440	1.7
123.08041	0.9
123.11687	1.1
127.03953	0.4
131.04910	0.8
131.08533	0.8
133.10149	1.9
135.04402	0.4
135.08003	0.8
135.11688	1.0
137.02356	6.1
137.03424	0.4
137.05991	4.7
137.09590	1.3
139.03934	0.6
139.11200	0.4
141.05466	0.3
141.09160	0.6
145.02873	1.9
145.06477	0.8
145.10165	1.8
147.04416	1.2
147.08044	0.4
147.11694	1.8
149.02348	0.9
149.06073	0.5
149.09624	1.4
149.13251	0.4
151.03882	1.0
151.07500	0.6
151.11290	0.6
153.01830	9.3
155.04893	1.2
155.08524	0.3
157.10172	0.6
158.99577	0.3
159.11714	1.2
161.05957	0.8
161.13280	0.8
163.03922	1.5
163.11211	0.7
163.14708	0.4
165.01837	3.1
165.06972	0.3
165.12740	0.5
166.02589	0.6
166.04976	0.4
169.10132	0.5
173.05992	1.5
173.13315	0.8
175.11182	0.7
175.14876	0.5
177.05461	3.9
178.05739	0.4
179.03410	0.4
183.02882	1.7
183.04431	0.8
183.08026	0.5
185.13289	0.5
187.03905	0.8
187.14850	0.5
189.16441	0.4
191.03406	0.4
195.02908	0.4
201.05510	3.6
201.12758	0.4
205.04990	0.4
211.14711	0.5
219.03078	0.3
219.06602	0.4
228.04117	0.7
229.04973	8.4
231.06374	0.4
245.04546	0.9
247.06036	1.0
257.04507	5.8
259.06155	1.6
271.09653	0.8
274.04727	0.9
275.05524	1.6
282.09412	0.5
285.04007	2.8
285.06885	0.4
285.12375	0.6
285.22095	1.1
288.05267	0.4
303.05011	100.0
303.19537	0.8
303.23077	5.6
304.05368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
56.96568	2.4
64.46838	0.4
69.03439	1.1
69.07060	0.4
70.06628	0.4
71.04984	0.4
71.19063	0.4
71.19445	0.7
72.60013	0.3
79.05489	1.4
83.04957	0.4
85.02898	1.4
91.05477	1.1
92.62189	0.4
93.07039	0.7
95.04969	10.4
96.08124	0.5
97.02863	0.5
97.06525	0.4
98.97590	8.7
105.03347	0.5
106.06516	0.4
107.04956	22.9
109.02867	0.5
109.06483	0.4
111.05537	0.4
112.99153	0.8
113.06049	0.6
116.98617	2.7
121.06532	2.5
121.07273	0.4
123.04429	100.0
124.04772	0.5
124.07581	3.7
127.03928	1.2
129.38472	0.5
131.00160	1.3
132.98114	0.5
137.05937	1.0
138.06334	0.7
139.03893	0.5
142.08630	0.5
143.00180	0.5
147.04393	1.1
149.01190	0.9
150.99100	0.5
151.03886	1.3
153.01819	0.9
158.99644	1.4
161.01324	0.4
162.33655	0.4
165.05476	70.2
166.05693	0.5
173.01295	2.3
177.00795	0.5
191.02222	1.3
205.00169	0.5
207.01740	0.7
214.08611	1.1
219.01701	0.9
223.09117	2.7
255.08553	0.6
259.06000	0.6
263.00601	0.8
276.10883	0.5
276.26309	0.4
281.01776	2.9
287.10785	0.5
299.02905	1.0
304.05231	0.6
304.11136	1.1
304.14651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0503
Annotation	Delphinidin
Peak:m/z	Relative Intensity
55.05507	0.2
56.39528	0.2
67.01871	1.3
67.05501	0.4
67.74419	0.1
68.99794	0.8
69.03447	0.2
69.07072	0.2
70.78398	0.4
71.04985	0.2
77.03932	0.2
79.05492	0.4
81.03422	0.2
81.07064	0.7
83.04977	0.2
83.10872	0.1
83.46691	0.1
83.47208	0.2
91.05460	0.3
93.07053	0.7
95.04970	0.2
95.08628	0.8
98.97568	0.3
105.03407	0.7
105.07026	0.6
107.08588	0.5
109.02870	0.2
109.10200	0.3
110.76490	0.2
111.00806	0.3
119.08575	0.3
121.02838	0.2
121.10124	0.4
123.04443	0.3
127.03951	0.3
129.01871	0.3
131.04959	0.2
133.02870	0.9
133.10115	0.4
135.08023	0.2
135.11720	0.2
137.02353	0.4
137.05986	1.3
141.09155	0.2
145.02795	0.2
145.06511	0.3
145.10156	0.3
147.11720	0.3
151.03905	2.6
151.07559	0.2
153.01836	9.4
155.04881	0.2
159.11667	0.3
161.06020	0.2
163.03905	0.1
171.02924	0.6
171.04289	0.2
173.02402	0.3
173.06013	0.2
173.13271	0.2
177.01805	0.8
177.05511	0.2
183.04547	0.2
187.03972	0.2
195.02899	0.4
201.05453	0.6
203.03395	2.0
213.32875	0.2
219.06540	0.2
229.05014	2.2
229.13380	0.2
247.05853	0.2
257.04431	2.7
257.12775	0.8
257.19321	0.2
261.03964	0.2
274.04788	0.2
285.03937	1.3
285.22018	0.2
288.05371	0.2
302.04361	0.3
303.05002	100.0
303.23132	0.6
304.05334	1.0
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
53.03942	0.1
55.01870	0.3
56.01512	0.1
65.03935	0.5
67.01865	0.4
67.05501	0.3
68.49644	0.1
68.99791	1.9
69.03426	0.2
71.04968	0.1
71.29704	0.1
73.85648	0.1
79.01862	0.1
79.05493	0.1
81.03425	0.6
81.07065	0.2
91.05470	0.2
93.03398	0.6
95.04973	0.6
95.08595	0.2
97.02871	0.1
103.05426	0.1
105.03382	0.2
105.07041	0.1
107.01305	0.1
107.04948	0.2
107.08576	0.1
109.02877	1.1
110.03616	0.1
111.00809	1.8
111.04452	0.1
115.05465	0.2
117.06999	0.2
119.04919	0.1
121.02866	2.0
123.04427	0.6
123.08089	0.1
127.03912	0.4
129.07004	0.1
131.04903	0.3
133.02872	0.2
133.06493	0.1
135.04439	0.4
137.02345	6.8
137.03406	0.5
137.05922	0.3
139.03885	0.1
139.05429	0.1
141.09180	0.1
143.04933	0.1
145.02846	0.2
145.06491	0.7
147.04411	0.1
149.02357	0.8
149.06029	0.1
151.03905	0.2
153.01830	9.5
154.02208	0.1
155.04927	0.9
155.06076	0.1
157.06499	0.2
159.04376	0.2
160.05182	0.1
161.06003	0.7
163.03918	0.9
163.07558	0.1
165.01840	3.9
166.02626	0.6
167.07115	0.1
168.05722	0.1
171.02979	0.1
171.04352	0.1
173.04599	0.1
173.05994	1.3
177.01782	0.2
177.05435	0.2
179.03371	0.3
183.02884	1.4
183.04442	0.9
183.08072	0.1
185.05949	0.1
187.03893	0.9
191.03465	0.3
191.07059	0.2
193.04895	0.1
194.02151	0.1
195.02855	0.4
201.05472	3.7
203.03294	0.2
205.01350	0.1
205.05028	0.4
207.02882	0.2
207.04572	0.1
211.03889	0.4
211.07521	0.1
213.05479	0.2
215.03381	0.3
217.04907	0.2
219.02879	0.3
219.06519	0.5
228.04214	0.7
229.04959	8.4
232.03699	0.2
233.04413	0.1
239.03506	0.4
243.02847	0.1
243.10297	0.1
245.04439	0.2
246.05251	0.1
247.06018	1.2
257.04453	4.9
258.04935	0.1
271.09662	0.2
274.04755	1.3
275.05432	0.3
285.03961	2.2
285.12274	0.1
286.04562	0.1
302.04330	0.1
303.04987	100.0
304.05310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.1
55.01868	0.2
56.04025	0.1
65.03929	0.5
67.01861	0.2
67.05487	0.3
68.99445	0.2
68.99796	2.1
69.03429	0.3
69.92628	0.5
79.05510	0.1
81.03413	0.7
83.01323	0.1
85.02896	0.4
91.05473	0.2
93.03394	0.4
95.04982	0.9
95.08595	0.2
97.02885	0.2
103.05470	0.1
105.03368	0.2
105.07038	0.2
107.04945	0.2
109.02885	1.0
110.03703	0.1
111.00813	1.9
115.05447	0.3
117.07010	0.3
121.02872	2.0
123.04451	0.7
127.03941	0.5
131.04893	0.3
133.02849	0.2
133.06487	0.1
135.04445	0.6
137.02351	7.4
137.03404	0.5
137.05963	0.6
144.67218	0.1
145.02827	0.3
145.04951	0.2
145.06506	0.6
149.02380	0.9
151.03928	0.1
153.01833	9.9
155.04924	0.9
159.04463	0.4
161.05957	0.6
163.03917	1.2
165.01845	3.7
165.03250	0.2
166.02643	0.5
173.02400	0.2
173.04633	0.1
173.06021	1.2
177.01926	0.2
177.05501	0.3
179.03368	0.3
183.02893	1.5
183.04433	0.8
187.03941	0.9
191.03419	0.4
191.07019	0.1
195.02907	0.4
201.05484	4.0
205.04976	0.4
207.02939	0.3
211.03944	0.4
213.05470	0.3
215.03452	0.1
218.05962	0.1
219.02957	0.3
219.06516	0.4
228.04251	0.6
229.04973	9.4
232.03828	0.3
239.03511	0.3
245.04666	0.2
247.05997	1.1
257.04459	5.2
274.04779	1.4
275.05505	0.3
285.03931	2.4
303.04999	100.0
304.05228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03923	0.1
55.01879	0.2
56.53153	0.1
65.03934	0.5
67.01867	0.3
67.05493	0.2
68.99443	0.2
68.99789	2.0
69.03413	0.2
77.03935	0.1
81.03416	0.6
91.05451	0.1
93.03424	0.5
95.04975	0.7
97.25227	0.1
105.03388	0.3
105.07005	0.1
107.01314	0.1
107.04939	0.1
109.02885	0.9
110.03638	0.1
111.00811	1.8
111.04441	0.1
117.03352	0.1
117.07010	0.4
119.04973	0.1
121.02871	1.8
123.04424	0.8
127.03931	0.4
128.06180	0.1
129.06995	0.2
131.04915	0.3
133.02820	0.2
133.06549	0.1
135.04407	0.3
137.02348	6.6
137.03375	0.3
139.03860	0.1
142.79553	0.1
145.02847	0.2
145.06517	0.4
149.02357	0.7
151.03932	0.1
153.01830	9.0
155.04906	0.8
155.06030	0.2
157.06483	0.2
159.04434	0.3
161.02272	0.1
161.06012	0.7
163.03911	1.3
165.01842	3.6
166.02609	0.6
173.05997	1.2
177.01834	0.3
177.05487	0.2
179.03360	0.3
183.02895	1.3
183.04449	0.6
187.03908	0.8
191.03354	0.3
191.07040	0.2
194.02180	0.1
195.02791	0.4
200.04518	0.1
201.05481	4.1
203.03276	0.1
205.04977	0.3
207.02893	0.2
211.03918	0.4
213.05467	0.2
215.03406	0.2
216.04622	0.1
217.05104	0.1
219.02875	0.4
219.06581	0.5
228.04161	0.5
229.04970	9.0
232.03737	0.2
233.04286	0.1
239.03583	0.4
245.04465	0.1
246.05254	0.1
247.06021	1.0
257.04465	4.8
274.04773	1.3
275.05478	0.4
285.00812	0.2
285.03958	2.4
286.04776	0.2
302.04514	0.1
303.04996	100.0
304.05313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.1
55.01870	0.3
65.03938	0.5
67.01862	0.3
67.05496	0.3
68.99789	1.8
69.03423	0.3
71.01344	0.1
71.04984	0.1
71.53833	0.0
71.54205	0.1
79.05495	0.1
81.03417	0.7
81.07063	0.2
83.01347	0.1
85.02894	0.1
91.05474	0.2
93.03412	0.6
93.07033	0.1
94.04214	0.1
95.04969	0.8
95.08613	0.2
97.02887	0.2
98.97565	0.1
99.08096	0.1
103.05466	0.2
105.03397	0.2
105.07029	0.1
107.01310	0.1
107.04952	0.3
107.08611	0.1
109.02884	1.0
110.03684	0.1
111.00800	1.6
111.04423	0.1
111.08112	0.1
115.05475	0.2
117.06981	0.3
119.04965	0.1
119.08549	0.1
121.02867	1.9
121.10136	0.1
123.04427	0.6
123.08068	0.1
126.03134	0.1
127.03915	0.5
127.05370	0.1
128.06241	0.1
129.07008	0.1
131.04926	0.3
133.02849	0.1
133.06508	0.2
133.10132	0.1
135.04416	0.6
135.08081	0.1
135.11691	0.1
137.02342	7.6
137.03391	0.5
137.05908	0.4
139.05533	0.1
143.04912	0.1
145.02835	0.2
145.06485	0.7
147.04434	0.1
149.02345	0.8
149.06050	0.1
151.03923	0.2
153.01822	9.6
155.04919	0.8
155.06042	0.1
157.06516	0.2
159.04413	0.3
161.02415	0.0
161.05983	0.6
163.03920	1.2
163.07526	0.1
165.01831	3.7
166.02629	0.5
167.03462	0.1
171.03008	0.1
171.04311	0.1
173.02533	0.1
173.05981	1.3
177.01889	0.2
177.05473	0.3
179.03357	0.3
183.02899	1.5
183.04439	0.8
184.05112	0.1
185.06000	0.1
187.03903	1.0
191.03413	0.3
191.07034	0.1
193.04904	0.1
194.02167	0.1
195.02867	0.4
200.04720	0.1
201.05466	4.0
203.03407	0.1
205.01498	0.1
205.04976	0.5
207.02884	0.2
211.03891	0.3
213.05528	0.3
215.03331	0.3
217.05013	0.1
219.03035	0.3
219.06525	0.6
228.04213	0.6
229.04958	8.9
230.05316	0.1
231.02925	0.1
232.03697	0.2
233.04594	0.1
239.03462	0.4
243.02777	0.1
245.04515	0.2
246.05182	0.1
247.05997	1.2
256.03537	0.1
257.04437	4.8
258.05005	0.1
267.02856	0.1
274.04736	1.4
275.05334	0.4
285.03946	2.3
286.04718	0.1
303.04974	100.0
304.05310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.05037	8.1
56.96558	2.3
57.07077	7.9
58.06590	0.7
59.05004	0.9
67.05499	0.7
67.82581	0.5
69.07058	1.0
70.06579	0.6
71.08636	2.8
71.54710	0.5
71.55141	0.7
73.09119	0.6
74.06084	20.1
76.21535	0.6
81.07047	1.2
85.06583	0.5
85.10220	0.8
88.07635	61.7
93.07051	0.9
98.97587	1.1
102.05593	0.8
103.53204	0.5
105.07020	0.7
106.08707	0.7
116.07108	3.6
130.08670	0.9
131.00194	0.5
134.08130	4.2
163.03915	0.5
176.07033	0.5
196.99586	0.5
232.99925	0.5
242.24794	24.0
259.05603	1.0
279.09885	0.7
279.12457	3.5
284.25903	2.5
286.04510	0.6
287.05035	4.5
297.13730	1.0
302.07416	6.9
302.26913	100.0
303.04950	2.0
303.27228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04857	0.2
56.96553	0.6
57.32591	0.2
69.60632	1.2
71.48905	0.2
71.95264	0.3
82.99851	0.3
90.35876	0.2
98.97586	9.3
99.97906	0.7
100.97171	0.2
101.00871	2.8
101.37230	0.2
102.96871	0.6
116.98624	4.0
119.01927	4.7
132.68564	0.2
134.99686	1.1
137.02927	0.4
140.98805	0.4
146.54781	0.2
158.99863	1.5
165.99637	0.2
177.00952	10.6
178.01100	0.5
179.00700	0.3
182.99962	0.9
189.63861	0.2
201.00928	2.7
203.00768	0.6
217.04103	2.1
219.02010	16.6
220.02127	1.1
221.01753	1.2
225.00887	2.4
243.01979	10.6
256.96640	0.7
258.99942	0.4
261.03052	100.0
261.97287	0.3
261.99896	0.9
262.03183	4.8
263.03061	0.5
266.03613	0.3
274.97806	0.2
277.00931	0.3
278.97220	0.3
279.00613	3.8
279.05783	0.5
279.97720	0.9
280.00903	1.2
282.99936	0.5
284.04611	1.6
284.99860	2.1
285.04703	0.3
301.01102	0.5
302.97311	0.3
303.00833	2.5
303.04364	2.4
320.97821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
53.83408	0.6
54.03426	1.3
55.01824	2.5
56.96567	9.0
57.03433	6.7
59.04971	0.8
61.02928	9.2
69.03428	18.5
69.78638	2.6
70.03743	0.9
70.06564	1.2
70.36657	0.6
70.98090	1.1
71.04939	1.9
71.05312	0.8
73.02921	7.7
81.03437	5.2
81.04541	32.7
82.99816	0.6
84.08090	1.0
84.96011	1.3
85.02906	35.9
85.06490	0.6
86.03238	1.3
87.04482	3.3
91.03904	2.4
94.06531	1.2
97.02895	13.7
98.97586	21.0
99.04433	3.4
100.99106	1.0
101.00877	3.9
101.02352	1.1
101.06003	1.0
102.96864	5.6
107.04955	0.8
109.02858	2.8
110.01193	0.7
110.97549	2.7
112.99109	2.2
113.00859	2.1
114.94061	0.6
115.02412	1.6
115.03944	0.8
116.98618	7.0
119.01894	4.8
120.97894	2.0
122.05274	0.9
122.06017	8.2
122.07121	28.7
124.07616	1.1
124.08674	1.0
127.00594	0.6
127.02435	0.9
127.03912	12.8
128.98569	2.3
130.12300	4.4
131.00156	1.6
131.01895	3.2
132.02269	0.7
133.02542	0.6
133.03438	2.7
133.67206	0.6
134.06038	3.6
134.06842	0.6
134.99644	1.5
140.07076	14.2
140.08171	100.0
140.98546	1.3
143.00179	1.4
143.01865	4.2
145.01668	1.5
145.03429	2.0
145.04973	7.0
146.99666	1.1
147.03174	0.8
147.05064	0.7
149.02853	0.7
149.04773	0.8
152.07074	7.5
152.98511	0.7
153.05817	0.8
154.03862	1.9
155.01888	2.3
157.03502	1.4
158.08099	1.1
158.99651	3.9
159.03270	0.7
159.05040	1.6
159.15576	0.7
161.01355	0.9
161.02937	3.0
161.04695	2.1
162.03163	0.7
163.02762	2.4
163.04428	3.2
164.07057	2.1
167.03766	1.1
168.99878	2.1
169.04477	0.9
170.05162	1.8
170.55376	0.7
170.99725	1.3
171.01381	1.3
171.05061	1.8
173.02954	2.4
173.06606	0.7
174.04469	1.1
174.99124	1.1
175.03360	0.8
177.00784	1.9
177.04413	1.3
177.06155	1.2
178.04959	1.0
182.99562	0.8
183.04982	0.8
185.02960	1.5
186.05948	1.0
187.00897	1.2
189.00783	1.0
189.02469	1.5
189.06100	0.9
191.02271	0.8
191.03976	1.2
192.04677	0.8
193.00182	0.9
195.01773	1.0
196.03975	3.6
196.99368	1.7
197.01241	0.6
199.00984	1.1
201.00731	1.5
201.02448	1.3
201.06081	1.6
205.04457	1.9
212.05342	3.2
212.07262	2.0
215.00363	5.3
215.07719	0.8
219.01767	4.4
220.58038	1.3
221.05188	1.2
221.06862	2.1
221.08842	1.3
221.56750	0.6
227.14008	1.0
229.02000	2.2
231.03619	2.0
236.95985	0.9
237.02882	2.8
245.05154	1.0
247.02898	4.8
251.00739	0.8
256.05344	0.8
259.02985	1.2
260.95953	2.0
260.99680	1.2
261.02628	1.0
261.08337	2.5
271.02850	0.9
273.09045	2.6
275.04254	0.9
278.96823	11.2
279.00507	0.9
279.05893	1.0
279.09415	3.9
285.09097	1.4
286.06680	1.2
289.04068	3.2
293.09091	0.8
296.97867	4.8
297.06693	2.6
301.60751	1.4
302.13562	86.6
303.10477	4.9
307.07166	1.5
321.10522	3.2
322.10788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01858	1.7
55.05496	3.4
56.96559	2.4
57.03418	4.7
61.02919	5.3
65.03933	2.0
67.05505	6.5
69.03428	14.1
69.07047	2.0
69.64345	2.8
69.64745	4.7
70.06583	1.9
71.04949	1.2
72.08158	14.7
73.02907	2.6
79.05478	4.5
81.03416	8.5
81.07065	8.7
82.06596	6.4
82.89516	1.3
84.08114	1.4
85.02910	91.8
86.09724	6.2
86.38695	1.2
91.05486	32.3
92.05835	1.6
92.99776	2.0
93.05792	1.9
94.06551	2.9
95.04972	5.6
97.02300	2.3
97.02898	43.5
97.06548	1.5
98.09695	1.7
98.97575	5.9
99.04453	2.5
100.07603	1.9
100.98049	1.3
103.03934	6.3
107.04955	9.7
107.07367	1.6
108.05268	2.7
108.08121	14.4
108.38465	1.4
109.02870	13.0
109.06529	1.8
110.05997	1.5
110.97555	1.7
112.07619	2.3
122.06049	9.3
124.07565	2.1
125.06002	7.8
126.05525	7.0
126.09136	4.2
127.03921	14.7
128.07082	31.7
128.28107	1.1
131.04887	1.5
132.10213	1.7
136.07571	18.0
140.07072	48.8
142.08615	2.3
143.11813	8.7
145.04958	14.7
150.09131	4.6
152.07068	18.2
152.98607	1.4
153.07745	1.2
154.08649	6.2
157.13371	1.7
158.99658	1.9
163.05992	3.6
164.07065	20.7
170.03185	6.2
171.11345	6.1
178.08635	17.7
182.08139	100.0
188.09135	1.9
196.02693	2.0
202.08690	2.2
206.08134	46.5
218.08084	3.8
219.01775	5.1
220.09785	1.4
231.01801	1.5
236.09166	3.9
237.02773	2.7
248.09186	10.4
256.09933	2.0
256.15228	1.4
261.02844	1.7
267.07642	1.5
287.05103	2.2
302.03922	14.6
302.07175	2.7
302.11124	5.3
302.15961	13.6
303.04868	3.3
308.61365	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01857	0.8
56.96564	1.6
57.03428	2.4
61.02919	3.3
65.03936	2.3
67.05506	27.7
69.03437	15.0
69.07070	8.9
70.06581	2.0
71.04993	1.4
71.45545	1.1
72.08154	1.4
72.84935	0.8
73.02916	1.3
79.05476	1.0
81.03434	4.9
84.04505	0.9
84.08136	2.6
85.02910	34.3
86.09711	2.8
87.04440	1.0
91.03989	0.8
91.05493	1.3
94.06581	1.9
95.04971	44.4
97.02896	28.9
97.03530	1.3
98.97576	2.4
99.04489	1.7
103.03941	2.4
105.03413	1.7
107.04969	0.9
109.02899	7.3
112.07614	31.7
113.06023	4.2
113.92361	0.7
115.03884	0.8
116.98592	1.7
120.54116	0.8
122.06025	2.2
123.04441	1.6
124.07618	1.7
127.03931	7.0
129.10236	1.5
130.08690	0.8
136.07605	2.6
137.05966	1.3
140.07071	100.0
141.05467	0.7
141.07454	0.8
145.04971	3.7
152.07100	2.3
154.08630	5.6
164.07089	1.2
170.08192	0.7
174.55807	0.7
178.08658	2.8
182.08139	55.7
206.08115	11.8
218.08154	2.3
220.09589	0.9
236.09224	1.9
243.10248	0.9
248.09181	8.5
272.10422	1.0
273.09091	1.0
284.11194	1.7
287.05026	3.0
297.06796	1.0
302.07324	3.4
302.12970	14.4
303.14163	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
54.60185	1.1
55.01860	1.9
55.05502	2.7
56.96565	1.5
57.03428	4.0
61.02922	4.5
65.59680	1.3
67.05501	7.4
69.03441	9.4
69.07072	2.5
70.06586	3.0
71.01363	1.5
71.04984	1.8
71.24081	2.6
71.43922	1.5
71.72491	1.3
72.08163	15.8
73.02924	2.9
79.05489	5.7
81.03435	8.1
81.07059	6.2
82.06577	6.8
84.08160	2.0
85.02911	86.9
86.02430	1.5
86.09703	7.2
91.05488	37.5
92.05843	1.8
94.06586	1.8
95.04963	4.7
96.04523	1.4
97.02895	40.1
97.06512	2.6
98.09649	1.3
98.97585	4.9
99.04458	2.5
103.03947	7.6
107.04973	10.1
108.05266	2.2
108.08112	12.5
109.02889	10.5
110.05920	1.4
112.07582	2.7
115.03979	1.8
118.95313	1.4
122.06044	6.6
125.06004	5.3
126.05509	5.1
126.09199	2.9
127.03932	20.0
128.07086	33.1
134.06021	1.5
136.07567	16.0
140.07069	46.2
142.08633	3.5
143.00233	1.6
143.11766	11.2
145.04974	14.0
150.09161	5.6
152.07072	19.4
154.08614	6.2
157.13345	1.9
158.99628	2.2
163.06052	3.8
164.07074	24.5
169.02856	1.5
170.03210	5.3
170.99673	1.3
171.11272	8.1
178.08641	17.1
182.08142	100.0
187.06516	1.9
188.09233	2.9
201.00676	1.5
206.08148	40.9
218.08221	2.8
219.01810	4.4
226.00714	2.1
231.01810	1.6
236.09157	4.7
237.02835	3.0
248.09273	10.4
256.09839	2.3
261.02814	1.7
267.07550	1.2
284.11353	1.5
287.04999	2.2
302.03888	17.1
302.07355	2.5
302.10721	6.8
302.16034	12.7
303.04892	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2739
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
53.03946	2.5
55.01857	2.5
55.05504	21.7
57.03431	3.9
57.07078	22.6
67.05505	26.2
69.07072	29.5
71.04982	4.2
71.08629	17.3
79.05506	13.1
81.07052	22.6
81.83621	2.7
83.04981	3.6
83.08630	23.6
85.10178	9.6
91.05489	4.2
93.07053	19.3
95.04938	3.3
95.08600	18.7
97.06516	9.7
97.10181	13.5
105.07052	4.3
107.04995	4.0
107.08607	14.6
109.06532	2.4
109.10159	12.0
111.04431	3.4
111.08091	5.8
111.11696	5.9
121.10137	17.6
122.85472	2.4
123.11718	4.2
125.09629	5.3
129.09149	2.7
131.08606	2.5
135.11705	12.4
137.13293	2.7
139.11169	6.3
145.10115	5.9
149.13216	7.3
153.12759	4.2
163.11188	4.8
163.14784	3.7
167.14299	2.8
168.00571	10.4
173.59113	2.4
177.16394	6.1
186.01630	3.5
187.14899	3.2
191.10574	2.9
210.55617	2.5
247.24196	12.9
258.05295	12.3
265.25168	9.9
285.04034	10.6
286.04733	81.5
301.07074	100.0
301.13589	4.8
301.16678	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	301.0696
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.03925	0.5
54.74950	0.3
55.05489	1.0
55.93518	0.5
56.96548	0.5
57.03393	0.3
59.04971	0.3
67.01850	0.3
67.05492	0.8
68.99752	0.3
69.03409	1.4
69.07077	2.5
71.04965	0.6
71.54330	0.6
73.04925	0.3
79.05463	1.1
79.70291	0.3
81.03397	1.3
81.07042	1.4
85.02879	1.1
91.05492	2.7
91.08938	0.4
93.07059	2.4
95.04949	0.7
95.08592	1.4
97.02898	0.8
97.06543	1.5
97.10175	0.5
98.97554	1.1
99.04433	0.4
103.05448	0.3
105.07015	1.3
107.04933	1.3
107.08572	1.0
109.02872	1.0
109.06499	0.5
109.10123	0.5
111.08062	0.7
111.11636	0.4
116.98547	0.3
119.04951	0.8
119.08569	0.9
121.02836	0.8
121.06495	1.4
121.10152	1.6
127.03919	1.2
131.04962	0.6
131.08569	0.6
133.06493	0.3
133.10141	0.7
137.06009	0.6
139.03952	0.5
139.07527	0.8
139.11191	1.8
145.10095	0.6
147.04401	1.2
149.05988	0.5
151.03906	0.7
153.01837	1.7
153.06993	0.4
155.08534	0.4
157.10097	0.4
157.12212	0.4
158.99573	0.4
159.11650	0.7
168.00520	0.9
171.02873	0.4
171.11685	0.4
179.07053	1.3
181.06483	0.6
185.09482	0.3
186.01613	0.7
198.06834	0.6
213.09074	0.4
221.99649	0.3
226.06227	0.5
229.05031	1.3
235.97690	1.1
240.00845	0.4
240.07515	0.4
241.08737	0.9
245.01418	1.1
257.04553	0.9
258.05255	31.4
259.05835	0.4
263.02551	0.7
273.04007	0.6
273.07184	0.3
285.03949	1.2
286.04739	53.1
287.04953	0.6
298.04642	0.4
301.07089	100.0
301.21588	1.1
302.07440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
65.33181	0.1
69.54960	1.0
98.20837	0.3
99.42352	0.1
149.05989	0.2
153.01912	0.7
157.12048	0.2
182.04489	0.1
201.05687	0.2
210.35341	0.2
229.04971	1.4
257.04462	0.6
258.05252	35.6
259.05716	0.4
286.04727	52.8
287.05026	0.4
301.07071	100.0
302.07394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01869	1.8
56.96558	5.9
57.03428	4.7
57.07083	1.4
61.02910	2.0
65.03925	2.0
67.05486	3.1
68.99783	2.2
69.03416	4.8
69.07047	1.8
70.06605	2.0
71.04984	2.1
71.46323	1.8
72.08134	3.1
73.02917	2.0
78.04686	2.2
79.05479	6.4
81.03406	4.3
81.07050	3.1
83.04966	1.7
84.08167	6.1
85.02912	5.5
89.03925	3.0
91.05498	8.5
92.01704	1.6
93.07043	4.2
95.04964	5.9
95.08628	1.6
96.06851	2.4
97.02881	5.7
98.96902	1.1
98.97571	6.5
103.05471	7.7
103.28399	1.4
105.04515	1.8
105.07053	1.8
106.04180	1.7
107.04970	8.4
109.02882	3.4
109.06574	2.0
111.04421	3.1
116.07166	1.3
116.98610	2.2
117.03397	2.2
119.04969	2.0
119.08613	1.5
120.08115	2.9
121.02869	10.8
121.06516	15.4
121.07332	1.8
121.07626	1.3
121.08440	5.4
123.04444	6.6
123.08070	1.4
124.05277	2.0
125.07127	3.4
127.03902	4.3
128.98610	1.5
130.05013	4.4
131.04980	9.0
133.02873	2.6
133.06462	1.8
134.03598	1.6
134.99680	1.5
135.04402	2.5
137.02444	1.3
137.05972	10.2
138.09149	2.9
139.03915	9.9
139.08647	5.5
139.09566	1.6
140.04634	2.6
147.04417	2.5
148.05176	2.6
149.05971	18.1
151.03894	3.3
151.07549	3.0
152.04680	1.6
153.05489	3.5
155.07024	3.6
158.36836	1.2
159.04417	5.5
163.03914	3.0
165.05498	8.2
166.06235	2.4
167.07051	100.0
168.00555	5.7
171.07686	8.2
176.04710	2.1
177.05478	47.3
178.01711	1.6
179.03448	1.4
179.07053	1.9
182.05696	5.4
183.06548	1.8
186.01630	2.5
191.06978	1.6
195.04411	4.3
195.06415	2.0
197.08098	1.9
209.06303	2.2
209.08118	25.8
219.01674	1.7
225.07614	3.1
227.09157	22.9
237.02942	2.4
253.10765	2.9
258.05322	6.3
269.14914	5.6
285.03894	5.5
286.04733	44.1
301.07050	52.6
301.12601	45.0
301.17679	7.4
301.21945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01854	0.1
67.05519	0.1
68.99803	0.1
69.07056	0.1
71.38342	0.1
71.38678	0.1
81.03447	0.1
91.05499	0.1
93.07019	0.1
98.97590	0.3
101.30534	0.1
105.03388	0.1
106.04156	0.0
107.04989	0.1
109.29220	0.1
116.98618	0.1
119.08653	0.1
121.06448	0.1
147.04376	0.1
149.05984	0.2
153.01817	1.1
153.02974	0.1
161.06009	0.1
184.05086	0.1
191.78487	0.1
201.05504	0.1
203.03358	0.1
213.05417	0.1
214.60933	0.1
229.04961	1.5
230.05609	0.1
257.04517	0.6
258.05243	37.5
259.05569	0.3
273.03717	0.1
273.07144	0.1
285.03976	0.1
286.04718	51.0
287.05075	0.4
301.07065	100.0
302.07388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	27.8
57.03428	2.3
57.07080	18.2
67.05506	38.0
69.07072	41.0
71.04995	9.7
71.08631	11.0
75.58213	2.3
75.71999	2.0
79.05481	6.4
81.06593	3.5
81.07062	60.0
83.08156	3.7
83.08627	59.0
85.06539	2.6
85.10185	6.7
91.05465	3.1
93.07030	4.5
94.43459	2.5
95.08613	100.0
97.10180	36.6
101.52441	2.4
109.10167	59.0
111.11729	13.4
123.11699	21.5
125.13237	5.7
133.07906	2.6
137.13240	9.3
151.14862	4.0
165.16422	5.2
208.09659	2.7
263.27301	13.0
281.28302	5.0
289.23441	2.5
299.14792	5.7
299.23596	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	300.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03651	0.4
50.39561	0.5
53.03941	1.1
55.19161	0.4
57.03453	0.5
61.02912	0.7
69.73818	2.5
73.02896	0.5
74.13867	0.4
79.05487	2.9
85.02899	1.6
91.05486	1.5
95.01326	0.5
95.04952	1.1
98.20844	1.0
103.77469	0.5
105.04572	0.5
105.36642	0.4
107.04958	100.0
119.03445	0.8
119.04959	1.0
129.07028	0.5
131.04932	4.5
144.05867	0.4
145.06522	1.1
147.04425	1.4
148.04768	1.3
157.06526	1.8
159.04469	1.6
163.62695	0.4
169.02805	0.6
173.06024	1.3
175.03934	0.9
177.05470	1.6
185.06001	8.6
187.03946	5.1
193.05067	1.0
201.05571	1.3
203.07059	4.9
205.04872	0.6
219.06543	6.6
221.08113	0.5
229.05014	0.7
237.07550	2.2
247.06035	2.2
265.07095	18.2
278.71967	0.5
283.08087	5.6
300.10895	2.8
301.03439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01865	1.1
55.05506	1.5
56.96565	6.3
57.03426	2.4
59.05003	46.6
61.02922	2.3
62.06097	0.9
63.80526	1.0
63.80864	0.9
67.05507	1.4
69.03429	7.3
69.07066	1.8
70.06580	2.8
70.12013	4.4
71.04979	1.7
72.08153	0.8
73.02904	1.8
73.06567	1.2
75.25181	1.0
81.03415	2.6
82.08657	0.9
83.04986	1.1
84.08166	1.2
84.96010	0.9
85.02908	17.9
86.09732	1.3
88.02221	2.5
89.06039	21.7
91.59417	0.9
92.05016	2.2
93.06987	0.9
95.05000	1.2
97.02907	7.0
97.06543	1.1
98.97574	8.4
99.04482	1.1
103.07590	16.0
105.03390	1.1
106.97147	0.9
107.04936	1.5
109.02856	2.0
110.06028	1.2
110.97536	1.9
116.98634	3.3
119.04916	1.2
120.08112	3.7
121.08622	100.0
127.03916	4.4
128.98569	1.6
134.99620	1.7
136.06244	2.0
137.03522	1.1
138.05505	12.0
138.09146	17.7
143.00151	1.5
145.04993	2.5
146.99551	1.1
154.03873	2.3
155.04709	1.5
158.99675	3.1
159.03317	1.1
161.01387	1.1
162.05579	1.0
162.55510	1.1
163.04036	2.1
164.05305	1.0
166.03862	1.2
167.04640	2.1
174.05455	1.9
175.54669	1.1
176.05154	1.5
177.00731	1.8
177.05772	1.0
183.05974	1.2
189.08588	1.3
191.02213	1.2
202.01440	0.9
204.06543	1.1
214.53394	1.0
219.01678	1.4
222.07605	1.4
237.02824	2.3
260.87701	0.9
261.97858	0.9
271.09528	1.6
282.09616	1.3
286.04834	2.2
300.05469	1.5
300.10931	5.2
300.14563	4.7
301.07040	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	301.0696
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05508	0.1
61.59174	0.1
62.54171	0.1
67.05489	0.1
68.99802	0.1
69.03408	0.1
69.07076	0.3
71.56980	0.1
79.05484	0.1
79.41222	0.1
81.03429	0.1
81.07039	0.2
83.05012	0.1
85.02905	0.1
87.13246	0.1
91.05464	0.2
93.07031	0.2
95.04971	0.1
95.08608	0.1
97.02863	0.1
97.06477	0.1
97.10143	0.1
105.06969	0.1
107.04920	0.1
107.08622	0.1
109.02881	0.1
119.08597	0.1
121.06512	0.1
121.10112	0.2
127.03919	0.2
139.07512	0.1
139.11150	0.4
149.05974	0.2
151.03903	0.2
151.07103	0.1
153.01834	1.2
157.12238	0.2
168.00574	0.1
173.05881	0.1
201.05499	0.1
212.04996	0.2
229.04971	1.6
230.05687	0.1
255.11273	0.1
257.04486	0.7
258.05246	37.0
259.05624	0.4
273.07776	0.1
283.15631	0.1
286.04724	50.2
287.05115	0.4
301.07068	100.0
302.07364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
53.03952	1.4
53.06549	0.7
55.05510	12.4
56.05044	5.6
56.96561	3.4
57.07064	3.1
58.02956	2.0
60.04512	2.3
65.03925	1.0
65.61961	0.7
67.05508	17.3
68.05020	2.2
69.06734	0.9
69.07072	12.1
70.98104	1.5
71.08629	1.3
72.04488	0.9
79.05492	12.0
80.04999	1.7
81.07051	14.2
82.06575	6.5
83.08614	6.6
84.08133	0.7
85.10143	0.7
86.02449	0.7
86.06052	2.4
91.05476	6.6
93.07046	8.3
94.06557	2.9
95.04939	1.3
95.08611	12.1
96.08125	1.7
97.06511	1.2
97.10165	4.3
98.06043	1.3
98.96936	1.3
98.97581	26.2
100.07607	1.5
105.07034	2.7
107.08578	3.2
109.10146	5.1
111.11732	0.9
112.07613	1.0
116.97833	1.1
116.98628	16.8
117.96959	0.7
119.08562	4.0
121.10176	3.7
121.38800	0.7
122.09628	1.2
123.11692	1.1
133.10106	2.9
134.99658	4.9
135.11679	1.5
136.06223	1.4
140.00177	3.0
154.12224	0.7
158.01228	1.7
172.94333	1.4
175.84285	0.8
190.95354	1.7
232.96538	2.3
234.26047	1.0
236.10626	1.0
245.22720	1.4
246.96315	0.7
250.25240	7.2
256.94040	0.8
256.96301	4.4
259.21368	0.9
262.25339	3.3
263.23764	0.9
266.11780	7.9
274.97519	24.6
280.26358	100.0
292.98569	10.4
297.99188	4.3
298.14423	3.0
298.27277	2.2
299.50015	0.8
316.00146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.96553	1.1
61.67530	0.3
67.05471	0.3
69.03417	0.5
70.83404	0.8
71.05000	0.3
73.02888	0.3
79.05500	0.5
81.03399	0.4
81.07050	0.7
83.04987	0.3
84.96046	0.3
85.02927	1.4
91.05474	0.4
95.08611	0.7
97.02884	0.6
98.97605	1.7
105.03391	1.0
107.04916	0.5
109.02860	0.3
109.06513	0.3
111.04414	0.4
116.98611	0.5
121.02857	0.4
127.03918	0.5
137.02335	1.6
158.99651	0.4
161.02992	0.4
162.05374	0.4
163.03983	0.4
177.00626	0.5
203.05289	1.0
219.01883	0.3
240.54459	0.3
267.11920	0.5
299.11011	100.0
300.11414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2581
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.03937	6.4
54.71674	4.1
55.05515	70.5
57.07088	25.6
67.05506	59.0
69.03431	6.2
69.07069	100.0
71.05005	7.4
71.08631	17.3
71.54600	3.9
71.55067	6.9
79.05503	26.4
81.03429	7.4
81.07058	79.3
83.04993	4.7
83.08620	71.8
85.06535	5.7
85.10188	5.5
91.05493	20.5
93.07044	40.1
95.08618	89.0
97.06531	11.9
97.10173	61.8
105.07034	28.0
106.30325	3.9
107.08597	30.1
109.10158	44.1
111.04448	8.5
111.08051	6.8
111.11720	26.2
113.09599	4.9
119.08607	29.9
121.10146	30.6
123.08079	5.7
123.11718	17.3
125.13267	5.8
133.10118	32.3
135.11702	19.2
137.09578	10.3
137.13258	5.3
147.11682	14.7
149.13269	18.5
151.11197	14.6
161.13264	21.1
163.14822	11.1
165.12733	12.1
165.16388	5.9
166.02838	4.5
175.14789	15.4
179.14299	7.0
189.16451	10.4
190.76961	4.4
207.17320	6.2
221.22685	6.1
245.22600	31.7
263.23752	34.1
267.12183	8.9
281.24710	9.9
299.05624	5.5
299.15018	12.7
299.19922	6.6
299.35034	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	297.2424
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.66955	1.0
55.05511	12.9
57.03418	2.3
57.07091	5.3
67.05184	2.0
67.05508	29.3
69.07065	12.5
69.91226	5.5
71.04968	1.9
71.08632	100.0
79.05056	1.6
79.05494	17.4
81.07056	52.4
83.04974	3.1
83.08612	10.7
85.06544	2.7
85.10188	1.9
91.05479	15.2
93.07050	13.8
95.05008	1.3
95.08606	37.6
97.06512	4.7
97.10176	5.9
99.08093	85.3
105.07020	13.9
107.08596	12.9
109.06525	1.7
109.10146	13.0
111.08076	3.6
111.11722	1.3
113.09625	2.0
117.07030	1.4
117.09141	1.7
119.08597	11.1
121.10147	11.5
123.08015	4.1
123.11713	5.3
125.09612	3.1
127.11189	5.1
131.08578	7.2
133.10095	3.9
135.07956	1.1
135.11720	7.6
135.39732	1.0
137.13228	6.3
139.11185	2.5
141.12715	2.8
145.10107	5.4
147.11690	43.1
149.09593	2.4
149.13235	4.2
151.11122	1.6
151.14848	2.2
153.12741	7.9
155.10597	1.3
159.11671	2.2
161.13258	4.7
163.11185	7.3
163.14818	17.9
165.12747	16.7
167.14287	4.5
169.12212	3.3
173.13257	6.2
177.16345	1.3
181.15894	10.3
183.13756	1.0
187.14836	2.7
223.16908	1.6
233.22629	3.4
243.21107	14.3
251.23712	3.2
253.57089	1.1
261.22141	23.6
279.23193	84.8
297.18909	1.4
297.24231	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	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03921	2.3
53.66702	1.5
55.01865	3.5
55.05516	29.0
57.03436	8.4
57.07079	15.0
67.05509	44.6
69.03429	3.6
69.06728	2.1
69.07072	27.0
70.93253	2.6
71.01356	7.3
71.04978	2.9
71.08636	13.8
74.00417	1.2
76.59642	1.2
79.05499	15.0
81.07059	49.1
83.04983	3.9
83.08627	14.5
85.06567	2.8
87.79498	1.2
91.05470	4.0
93.07057	14.6
95.08611	37.9
97.06511	4.5
97.10188	19.9
98.97598	1.8
99.08102	3.0
105.03425	1.7
105.07032	3.6
107.08600	12.1
109.10161	22.5
111.08102	1.6
111.11713	1.2
113.06027	2.6
113.09676	1.1
119.08592	3.7
121.10162	8.8
123.08088	1.3
123.11682	6.7
125.09651	9.8
131.08598	3.0
133.10181	2.5
135.08051	3.0
135.11697	9.6
137.13240	4.3
141.12761	6.5
143.08562	1.4
145.10135	1.5
147.11647	2.8
149.13254	2.6
151.14813	2.1
153.09084	1.5
153.12776	4.3
161.13287	2.0
163.14761	1.5
165.12701	1.5
169.15915	12.3
173.11737	1.2
173.13216	2.8
177.12823	1.3
177.16368	1.3
183.13818	100.0
189.11273	6.8
202.29671	1.4
209.15477	1.9
223.17061	1.6
233.22572	2.9
243.21149	4.0
251.23686	21.9
261.22153	12.4
279.23233	38.2
297.18677	1.9
297.24387	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	297.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44598	0.5
54.98643	0.5
56.96565	7.3
70.54176	1.5
71.95252	1.7
72.72059	0.5
98.97587	100.0
99.90798	0.5
116.98624	33.4
119.01860	0.5
128.36099	0.4
134.99663	6.0
140.00212	1.1
172.94348	5.1
190.95358	2.3
210.85152	0.4
214.95389	3.5
219.02060	0.6
227.37132	0.5
232.96385	5.1
245.03229	0.5
250.97522	2.3
256.96454	19.4
261.03110	1.0
274.97504	84.8
292.98553	37.0
297.99109	1.1
316.00095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.29436	0.2
61.01154	4.6
66.72315	0.2
69.03429	0.5
69.81302	1.0
75.02715	1.9
81.61163	0.2
93.22285	0.2
97.02899	1.7
98.97598	0.2
100.70256	0.2
103.02164	0.2
114.03768	0.2
119.03556	0.9
121.73849	0.2
133.75113	0.2
134.09534	0.2
136.06195	100.0
137.04576	0.4
137.06519	0.2
145.03174	1.4
163.04222	1.6
171.39772	0.2
266.11801	0.5
298.09692	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	298.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01212	2.3
52.10564	2.2
53.03942	7.0
55.01854	6.7
55.05513	23.7
56.96571	13.8
57.03424	6.7
58.52682	3.1
59.04988	8.7
61.02912	7.6
67.05501	3.7
67.47345	2.6
69.03439	17.3
69.07085	2.5
71.54280	3.0
72.08179	2.9
73.02921	6.7
73.06554	14.5
79.05500	2.9
81.03407	6.1
83.04982	13.8
85.02454	2.6
85.02917	36.9
86.03245	2.7
90.77113	2.7
91.05477	4.9
93.07042	3.1
95.04967	3.9
97.02900	20.9
97.06515	2.7
98.97583	27.6
101.06026	100.0
101.06696	5.8
103.05453	3.4
105.03380	13.4
106.03735	13.2
107.04945	3.9
109.02863	4.9
110.97559	3.2
111.04434	8.2
116.98614	13.9
119.01718	3.5
119.07068	41.5
122.14506	2.7
123.04432	4.6
123.08109	2.5
124.03954	5.9
127.03923	11.1
130.06525	17.3
136.06198	42.1
139.03972	4.5
145.03244	2.6
145.04967	11.2
152.05728	18.8
154.04977	4.1
155.04619	3.5
158.99733	3.7
163.03947	3.4
163.06053	4.2
165.06827	2.8
166.07275	18.1
167.05672	2.7
170.99698	3.3
176.07091	3.5
177.00745	3.0
179.08376	2.4
191.08589	2.7
193.04341	3.1
193.10828	3.5
216.50443	2.6
217.07281	9.7
219.01775	6.6
219.08072	2.4
234.07663	3.1
237.02841	5.6
239.11392	6.9
251.09393	3.1
255.10457	2.7
262.10709	3.5
266.11765	32.1
274.97379	6.1
280.11737	5.2
283.29520	2.4
298.09888	19.1
298.14404	9.9
298.17783	3.6
299.10788	3.7
309.08514	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
51.14856	2.5
53.03941	7.8
54.04059	2.8
55.01866	12.6
55.05508	9.6
55.98192	2.8
56.96548	5.2
57.03446	20.3
59.04995	3.5
61.02943	14.5
67.05507	30.2
69.03094	3.2
69.03434	47.7
69.07066	11.1
71.01342	3.3
71.04989	12.7
73.02917	16.0
79.05495	39.5
81.03420	33.1
81.07061	61.7
83.04985	14.1
83.08588	3.9
85.02443	4.2
85.02915	66.2
85.06538	5.7
87.04476	5.1
89.18806	2.6
91.05482	40.0
93.07049	100.0
95.04975	21.7
95.08620	35.1
97.02894	23.7
97.06530	10.3
98.97579	4.0
99.04459	13.5
101.02357	3.4
103.03934	11.8
103.05492	5.0
105.07036	58.2
107.04965	16.3
107.07877	4.0
107.08601	72.8
109.02876	9.5
109.06515	10.8
109.10182	21.5
111.04446	11.0
111.08067	4.7
113.09624	3.2
115.03938	9.8
117.07018	11.3
119.08595	38.3
121.06513	13.0
121.10150	57.1
123.04453	8.6
123.08066	8.5
123.11743	13.5
125.06004	5.8
125.09647	4.3
127.03938	18.9
129.07008	9.4
131.08568	21.8
133.04950	4.1
133.06454	5.3
133.10144	31.4
135.04410	18.1
135.08023	8.9
135.10689	4.8
135.11700	67.3
137.05927	6.3
137.09593	5.6
141.07013	4.5
142.07802	3.4
143.08563	12.0
145.04988	10.2
145.06476	5.4
145.10135	27.1
147.08025	8.9
147.11676	29.5
149.05946	3.8
149.09596	6.7
149.13240	9.5
151.07509	3.6
151.11176	7.8
153.05406	5.3
153.12730	13.9
155.08575	5.2
157.10089	10.3
159.08046	8.6
159.11707	19.4
161.09573	5.0
161.13304	11.3
163.07565	4.5
163.11220	16.8
165.12766	13.6
171.06514	3.9
171.11717	6.5
173.09633	7.4
173.13235	7.2
175.11177	12.2
177.05528	5.0
177.12778	24.2
183.11696	8.1
187.07471	3.3
187.11197	6.6
189.12762	12.4
191.14351	6.3
193.75223	2.9
197.13345	3.8
201.12830	15.3
203.10544	3.2
203.14420	3.4
205.12273	4.7
207.13785	6.2
213.12694	3.5
215.14357	7.7
217.12289	4.8
219.13829	15.9
222.06786	3.7
231.13794	11.7
233.15367	4.9
237.09027	4.0
237.14767	3.4
243.13835	17.6
249.14920	5.8
261.14890	34.9
265.08658	8.1
279.15927	42.6
297.08029	8.8
297.11313	10.3
297.16986	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81789	0.5
55.05497	2.0
56.96554	1.8
57.07075	0.8
58.54191	0.5
59.31462	0.4
62.08890	0.4
67.05502	2.7
69.03423	0.7
69.07047	2.2
69.78683	1.2
69.79073	1.3
71.04987	0.8
71.08626	0.6
72.04510	1.2
79.05504	2.9
81.03400	0.9
81.07061	3.8
83.08627	1.0
90.21925	0.5
90.96744	0.5
91.05494	2.3
93.07030	2.5
95.04986	1.1
95.08598	2.8
97.02917	0.5
97.06534	0.6
98.97594	3.2
105.03409	0.8
105.07035	2.5
107.04961	1.7
107.08589	1.9
109.06499	0.7
109.10136	1.3
111.08125	0.5
116.98621	1.3
117.07050	0.5
119.08571	1.9
121.02838	0.7
121.10167	1.3
123.11697	0.5
125.09557	0.5
131.08513	0.7
133.10133	0.8
135.04410	1.9
135.11697	0.9
145.10120	0.9
147.04404	1.5
147.11700	0.9
148.04240	3.5
163.11150	0.6
177.00655	0.5
177.05406	0.5
180.01408	0.5
187.14783	0.5
221.10600	0.6
274.97522	1.5
297.16736	100.0
298.17075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
53.03942	7.3
55.01872	8.2
55.05502	8.6
57.03438	24.2
59.04998	3.0
61.02927	13.0
67.05506	23.7
69.03091	4.2
69.03435	50.2
69.07063	10.8
70.99555	4.8
71.01350	5.0
71.04990	9.8
72.35020	2.4
73.02927	13.4
76.55173	2.6
79.05500	24.9
81.03426	27.0
81.07065	49.5
83.04971	10.6
85.02912	63.1
85.06568	2.8
87.04451	6.6
91.05483	29.8
92.33667	2.3
93.07049	100.0
95.04961	18.6
95.08604	35.2
97.02893	29.6
97.06522	8.1
99.04464	15.8
103.03920	10.9
105.04552	2.5
105.07043	56.7
107.04971	6.0
107.08599	92.1
107.09312	5.2
109.02882	10.5
109.06503	8.7
109.10169	29.1
111.04466	12.5
111.08081	4.0
114.22866	2.5
115.03957	9.2
117.05386	2.7
117.07014	9.8
118.95451	2.5
119.04955	2.5
119.08595	36.2
121.06511	9.6
121.10152	67.8
123.04451	6.4
123.08062	7.5
123.11739	13.3
125.06017	4.6
127.03944	16.9
129.05464	2.9
129.06989	10.0
131.08591	18.4
133.06505	7.9
133.10132	41.2
135.08043	5.9
135.11694	90.0
135.12721	4.9
137.09630	6.8
137.13210	4.9
142.07797	3.9
143.08559	11.0
145.04977	14.5
145.10133	25.7
147.08049	8.1
147.11687	31.0
149.09575	5.4
149.13237	8.0
151.07613	3.2
151.11201	9.0
153.12746	44.8
155.08546	4.8
156.83791	2.7
157.10117	11.5
159.08098	3.8
159.11705	23.5
161.09607	5.9
161.13251	6.6
163.11151	12.6
165.12750	9.1
169.10120	2.9
171.11714	6.9
173.09616	5.8
173.13231	5.5
175.11224	10.0
177.09163	2.9
177.12772	17.5
183.11661	5.3
187.11180	7.8
187.14888	3.0
189.12766	11.6
193.12132	3.5
201.12735	9.7
207.13786	2.7
213.12839	4.4
215.14371	5.1
219.13853	9.4
231.13821	7.7
233.15300	5.5
243.13814	13.3
249.14888	5.9
261.14874	33.9
279.15921	32.5
297.11362	3.3
297.16974	64.4
298.00360	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	295.227
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.55331	1.4
50.67784	1.4
53.03931	5.4
53.21071	1.5
55.01873	20.9
55.05274	2.7
55.05515	37.3
56.96561	2.6
57.03423	3.6
57.07076	9.5
67.05510	61.0
69.03423	3.9
69.07074	27.7
69.78687	3.5
69.79086	7.0
71.04980	3.2
71.08289	2.5
71.08636	32.9
71.76854	1.4
73.06587	2.1
79.05493	36.9
81.02974	1.9
81.03422	14.7
81.06589	3.4
81.07061	59.1
82.47725	1.8
83.04977	12.3
83.08616	24.2
85.06522	2.6
85.10171	7.7
91.05482	26.4
93.07048	46.2
95.04977	14.7
95.08609	39.6
97.06516	15.2
97.10176	18.0
98.20854	3.7
98.97588	3.5
99.08097	30.7
103.05451	3.5
105.07031	22.1
107.04940	4.0
107.08596	24.7
109.06516	6.9
109.10162	18.1
111.07372	2.0
111.08086	22.1
113.09637	8.4
113.92467	1.5
117.07026	5.5
119.08600	18.6
121.06515	2.5
121.10136	18.9
123.08066	6.1
123.11687	6.9
125.09637	12.1
129.07013	3.9
131.04922	2.2
131.08569	7.0
133.10127	15.6
135.08057	3.1
135.11702	15.7
137.09595	6.8
137.13177	2.0
139.07489	2.1
139.11195	6.4
141.76938	1.6
143.08566	3.2
145.02872	2.6
145.10127	6.4
147.04396	7.0
147.08015	2.1
147.11708	18.4
149.02357	14.2
149.09625	4.8
149.13274	10.6
151.11194	25.6
153.12747	4.7
155.10661	1.7
157.10114	4.4
159.11688	2.9
161.13280	15.7
163.11186	9.6
163.14772	3.5
165.12787	18.2
167.14328	2.6
171.10211	1.6
171.11676	3.7
173.13197	2.0
175.11151	2.7
175.14737	3.4
177.05498	4.5
177.16495	1.6
179.14307	11.2
185.13306	4.4
189.11205	9.0
189.12715	3.4
193.15822	2.3
195.13745	1.6
207.13905	3.1
217.19714	1.8
221.15340	4.2
231.20985	5.3
235.16907	2.4
241.19530	7.2
249.22211	7.8
259.20609	12.7
277.21634	100.0
295.19327	2.7
295.22687	50.8
295.63443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	7.2
54.01270	2.3
55.01876	17.4
55.05267	3.6
55.05515	39.3
55.14346	1.9
56.96570	12.5
56.96803	2.5
57.03438	3.0
57.07069	9.7
65.03936	2.5
67.05508	77.7
67.43195	2.1
69.03423	5.8
69.07069	26.2
71.04967	2.7
71.08632	54.0
71.53893	3.5
71.54260	2.4
74.72204	2.2
79.05498	40.6
81.03425	11.9
81.06586	3.8
81.07058	62.0
82.83038	2.2
83.04986	15.0
83.08619	22.6
85.06538	7.7
85.10147	2.4
91.05484	30.0
92.92544	2.3
93.07050	40.8
95.04983	15.8
95.08607	33.8
97.06528	9.3
97.10172	23.7
98.97590	7.1
99.08098	40.6
103.05476	8.8
104.05830	3.1
105.07042	24.0
107.04941	8.7
107.08599	33.3
109.06489	5.3
109.10166	25.1
110.97583	3.1
111.08083	13.7
113.09646	6.6
116.98620	4.5
117.07012	7.5
119.08588	20.2
121.10163	21.5
123.08043	3.8
123.11720	6.3
125.09622	26.0
128.98618	2.4
129.06984	5.3
131.04924	21.8
131.08594	6.3
132.05266	7.4
133.10126	15.2
135.08090	6.5
135.11702	22.5
137.09631	3.7
139.07607	2.5
139.11127	2.6
141.09102	2.3
143.08507	4.3
145.10138	8.9
147.04474	3.0
147.11700	16.0
149.09605	2.5
149.13268	10.8
151.11188	33.7
158.60931	2.4
159.11676	6.2
161.13271	15.8
163.11191	18.7
163.14844	3.4
165.12794	7.2
169.12215	2.7
171.11633	4.6
173.13304	5.9
175.11176	2.5
175.14839	4.8
177.12749	5.3
179.14307	11.7
185.13264	4.3
189.11217	17.6
189.12730	3.0
199.14912	3.4
213.16396	2.4
231.21136	6.8
241.19559	7.9
259.20596	14.7
277.14816	3.3
277.21619	100.0
278.15378	3.0
283.12027	4.9
283.61993	2.5
294.62900	3.9
295.06241	2.7
295.12589	2.5
295.15720	2.3
295.22812	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	295.227
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	3.0
55.01879	11.9
55.05518	49.9
55.05788	2.9
57.03425	3.7
57.07071	9.4
65.03944	2.3
67.05512	91.6
69.03422	5.2
69.07073	26.0
70.13305	5.2
71.04990	4.6
71.08636	14.4
79.05079	2.5
79.05505	41.2
81.03421	7.5
81.07066	56.2
83.04987	13.4
83.08622	22.4
85.06538	7.1
91.05496	24.9
91.52267	1.5
93.07054	49.1
93.23620	1.5
95.04983	14.1
95.08617	42.1
96.60715	1.5
97.06510	7.8
97.10184	32.2
99.08106	11.2
105.07046	21.1
107.04973	2.0
107.07881	2.1
107.08606	35.5
109.06516	5.5
109.10171	32.3
111.08099	7.7
111.11738	2.1
113.09648	2.5
117.07037	5.0
119.08586	14.9
121.10159	20.4
123.08064	6.0
123.11703	9.7
125.09644	25.1
129.03185	1.6
129.07013	3.7
131.08597	7.2
133.10095	13.6
135.07996	1.9
135.11708	17.4
137.09634	8.4
137.13263	2.7
139.11217	11.9
141.12794	1.5
143.08559	3.8
143.10619	2.0
145.10143	5.1
147.08005	1.9
147.11697	12.8
149.13255	11.7
151.11203	10.6
151.14825	2.0
153.12833	3.0
155.10706	2.1
157.10176	3.6
159.11714	3.2
161.13246	11.2
163.11259	4.3
163.14862	5.7
165.12784	5.5
167.88632	1.8
171.10283	3.2
171.11696	3.7
173.11794	2.1
173.13260	3.2
175.11186	2.5
175.14830	7.1
177.12669	2.3
179.14275	5.3
181.12216	1.9
185.13283	5.3
188.79990	1.6
189.11243	18.8
189.12794	2.9
193.15985	1.6
199.14822	3.0
207.13869	3.6
211.13289	1.8
217.19437	2.4
217.84021	1.7
221.15385	2.8
231.21123	3.4
241.19548	7.3
249.22166	4.1
259.20609	16.5
267.08975	2.0
277.21649	100.0
285.10095	3.2
295.22705	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.88838	2.9
53.03940	8.3
55.01868	8.4
55.05270	3.5
55.05517	46.5
57.07067	8.3
66.06888	3.1
67.05511	89.7
69.03429	6.8
69.07076	30.9
69.63345	18.1
71.08638	56.7
71.85220	2.8
77.80061	2.5
79.05506	47.8
81.03434	17.6
81.07066	62.0
83.04986	13.1
83.08631	24.9
85.06553	5.6
85.10181	3.3
91.05489	25.8
93.06482	4.3
93.07050	58.8
95.04960	21.6
95.08608	41.8
97.06553	7.6
97.10184	34.4
98.20818	6.5
99.08100	52.0
105.07047	24.8
107.04993	8.7
107.08600	28.3
109.10136	24.5
111.08076	6.6
117.07034	6.6
119.08608	15.7
119.61545	3.1
121.10152	18.3
123.08098	3.3
123.11752	4.7
125.09647	23.5
129.07002	4.4
131.08572	6.8
133.06534	3.8
133.10161	18.5
135.11690	24.2
137.09648	4.6
139.11137	4.0
143.08562	5.5
145.10213	5.8
147.11671	14.5
148.51442	3.1
149.13248	14.3
151.11214	46.1
153.09058	4.4
157.10172	4.5
161.13287	18.7
163.11221	23.0
165.12801	6.3
171.10188	5.3
171.11649	4.7
175.14818	3.8
179.14342	19.6
189.11208	17.7
189.12703	4.3
231.21156	5.8
241.19521	12.1
259.20593	14.1
277.21637	100.0
295.22723	36.9
317.26849	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.02386	2.0
55.01875	8.7
55.05267	3.9
55.05514	45.0
57.03436	6.8
57.07089	10.2
65.03933	3.6
67.05508	97.7
69.03426	8.2
69.07072	31.4
69.86366	11.7
71.04998	6.6
71.08636	12.4
79.05498	44.3
81.03427	9.0
81.07061	63.7
83.04984	13.8
83.08618	25.3
85.06554	8.3
91.05486	29.6
93.07047	52.9
95.04968	14.0
95.08002	2.4
95.08607	46.8
95.09171	3.4
97.06541	9.3
97.10184	30.9
99.08105	11.7
105.07030	19.2
107.08601	38.6
109.06522	7.1
109.10162	33.1
111.08089	6.9
117.07023	3.6
119.08599	19.3
121.10146	18.2
123.08093	5.9
123.11710	6.4
125.09636	22.0
129.07024	4.2
131.08620	4.9
133.10146	13.5
135.08067	4.8
135.11690	15.9
137.09662	12.9
139.11162	15.9
140.40501	2.7
143.08568	4.7
145.10182	2.8
147.11649	13.9
149.09613	2.5
149.13263	8.2
151.11208	10.5
153.09082	3.3
153.12798	4.6
155.10681	3.9
157.10164	3.7
159.11707	3.3
161.13272	13.1
163.11197	5.4
163.14842	3.7
165.12776	8.1
171.10210	2.7
171.11690	4.1
175.14848	5.6
179.14333	5.8
181.12300	3.3
185.13269	3.7
188.04254	2.2
189.11227	15.7
193.12277	2.7
193.15904	2.3
195.82933	2.3
221.15379	3.8
231.21077	7.3
241.19562	4.6
249.22162	6.4
259.20563	12.3
277.21637	100.0
295.19370	2.8
295.22690	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03940	3.6
55.01878	7.5
55.05512	52.0
57.03439	14.7
57.07081	10.1
59.05005	1.6
59.60757	1.6
65.03939	3.6
67.05507	100.0
69.03434	7.8
69.06735	2.2
69.07070	36.4
69.83079	9.3
71.04650	1.4
71.04981	9.6
71.08633	17.7
74.08073	1.5
75.36317	1.4
79.05492	49.2
81.03429	10.5
81.07058	94.2
83.04990	17.5
83.08627	31.4
85.06536	4.8
85.10171	1.6
91.05481	30.7
93.07044	55.0
95.04979	16.9
95.08611	47.1
96.35912	1.5
97.06538	11.1
97.10172	29.8
99.08098	16.3
101.21003	1.4
105.07037	24.3
107.04999	2.3
107.08595	35.7
109.06522	4.9
109.09476	2.4
109.10159	30.1
111.08076	8.2
117.07036	8.2
119.08588	19.9
121.10146	16.4
123.08067	5.5
123.11704	11.9
125.09631	21.6
129.07001	5.2
131.08563	6.3
133.10155	13.1
135.08038	4.9
135.11679	12.3
137.09581	6.6
139.11176	7.3
143.08540	2.7
145.10091	5.9
147.11699	12.3
149.09589	2.8
149.13263	11.5
151.11180	16.9
153.09077	3.8
153.12714	4.2
154.05191	1.9
155.10655	8.7
157.10107	3.8
159.11714	3.9
161.09566	2.0
161.13255	13.6
163.11171	5.5
163.14793	2.9
165.12729	4.6
171.10165	2.9
171.11674	4.7
173.11755	2.1
173.13161	2.0
175.11154	3.1
175.14827	5.2
177.12704	2.3
179.14268	8.1
181.12398	2.2
185.13278	5.0
189.11252	12.8
189.12785	2.5
193.12219	4.5
193.15854	2.0
199.14725	2.5
207.13846	4.5
217.19315	1.7
221.15495	2.9
231.21045	5.5
241.19463	5.8
249.22159	2.4
259.20523	10.8
259.36560	1.6
277.21634	72.7
284.00061	1.8
295.22708	33.4
311.11569	1.6
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	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	4.5
55.01635	2.8
55.01876	44.5
55.05268	3.3
55.05511	37.5
57.03441	3.0
57.07064	3.9
67.05183	3.5
67.05508	48.8
69.07075	47.9
70.81825	7.8
71.04990	7.2
71.08632	3.3
72.81895	2.4
77.98321	2.4
79.05497	38.7
81.03412	6.7
81.07061	67.8
83.04987	12.8
83.08624	41.2
84.91141	2.6
85.06514	4.4
91.05483	22.8
93.07041	33.8
93.57879	3.1
95.04974	6.6
95.08604	42.6
97.06538	62.7
97.10162	9.9
99.08112	4.1
105.07020	22.6
107.08596	31.7
109.06509	7.7
109.10159	20.2
111.08096	15.7
117.07005	3.2
119.08588	23.7
121.10154	27.2
123.08056	5.4
123.11684	12.6
125.09619	10.6
128.67831	2.7
129.07011	3.9
131.08546	6.2
133.10153	19.3
135.11684	24.4
137.09625	3.9
139.11182	7.1
145.10104	6.7
147.11688	37.0
149.09630	3.8
149.13248	12.7
151.11185	10.9
154.79189	2.3
157.10101	3.8
159.11674	5.6
161.13246	15.1
163.11186	7.8
163.14850	4.8
165.12714	15.6
167.10878	2.6
171.11760	4.0
173.13300	4.0
175.11319	4.7
175.14714	3.7
179.14302	5.8
189.11205	4.5
189.12709	4.1
195.13780	2.8
199.14702	4.1
207.13872	4.2
215.18118	2.7
221.15454	3.2
231.21075	3.7
237.43658	2.5
241.19572	7.9
249.22148	6.9
259.20627	15.5
277.21640	100.0
294.41919	2.5
295.22629	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03951	19.9
55.01871	6.3
55.05515	20.3
57.03426	2.0
57.07059	5.2
59.15768	2.0
60.74346	1.5
67.05511	47.1
69.07074	36.0
69.27254	10.1
69.27686	5.7
70.28206	1.4
71.08624	3.7
73.88281	1.7
79.05078	2.2
79.05499	29.1
81.03424	64.7
81.06583	3.3
81.07063	52.2
83.04984	15.1
83.08634	11.0
85.06557	2.8
85.10184	3.2
91.05487	19.4
93.07052	32.5
95.04980	37.5
95.08607	16.3
97.06538	5.4
97.10172	5.8
98.21551	3.3
99.08089	3.6
100.31994	1.6
101.13861	1.6
105.07031	22.7
107.08595	24.7
109.06527	5.6
109.10165	16.2
110.41174	1.6
111.08079	3.4
114.20183	1.6
117.07040	3.3
119.08569	11.1
121.10155	8.3
123.08046	3.5
123.11690	7.6
125.09642	8.8
131.08565	4.5
133.10159	19.7
135.08067	5.8
135.11696	7.3
137.09656	2.0
147.11714	12.4
149.09659	2.8
149.13261	6.6
151.11197	42.9
153.09074	5.0
157.10204	2.1
161.09610	2.4
161.13268	11.7
163.14890	3.7
165.12746	10.3
171.10275	2.7
171.11572	3.4
173.13242	2.4
175.14839	3.4
177.12761	2.4
179.14320	5.7
189.12749	2.5
193.12206	1.8
207.13792	4.7
217.19485	1.9
221.15373	2.2
231.21117	12.2
241.19559	7.0
249.22253	4.6
259.20547	9.9
277.21643	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01873	4.7
55.05515	23.5
57.03441	31.8
57.07083	4.2
65.03930	3.3
67.05508	53.9
69.07069	19.4
70.71377	3.1
70.71699	6.4
70.75760	2.8
71.04984	2.9
71.08637	4.2
79.05501	40.7
81.07059	100.0
83.04980	7.0
83.08624	15.2
85.06540	7.5
91.05484	23.6
93.07052	49.3
95.04968	5.7
95.08606	67.6
97.06535	5.6
97.10176	9.7
97.28838	3.2
99.08099	8.5
103.10060	2.8
105.07022	19.7
106.53220	2.9
107.08595	46.1
109.06537	9.0
109.10152	35.6
111.08059	3.9
117.07018	9.3
118.60603	2.6
119.08547	21.5
121.10152	46.6
123.08099	13.4
123.11710	8.5
125.09626	6.2
131.08569	10.8
133.10143	18.7
135.11690	33.8
137.09634	7.8
139.11238	5.1
145.10141	8.9
147.11708	12.2
149.09624	4.5
149.13264	13.1
151.11189	7.8
157.10231	3.5
159.11723	12.1
161.13243	10.3
163.11255	4.3
167.10722	2.9
171.11653	6.0
173.13284	6.6
175.14764	3.3
179.14276	3.0
181.12254	3.7
185.13387	4.5
187.14793	18.7
205.15910	10.3
207.17386	4.1
213.16447	3.2
221.19096	6.4
223.16982	14.7
237.18463	4.5
241.19565	6.5
259.20541	19.2
267.19125	3.3
277.21634	69.1
295.22702	13.2
317.76794	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	295.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.4
57.03428	0.4
57.04545	0.8
57.55087	0.2
58.70952	0.2
61.02908	0.5
65.10233	0.2
67.05491	0.2
69.03415	0.8
69.07056	0.8
70.77839	0.4
73.02870	0.4
81.03401	0.5
81.07062	0.3
85.02442	0.3
85.02908	4.3
87.08105	0.5
91.03944	0.4
91.05453	0.3
93.07021	0.2
94.04060	2.5
95.08610	0.2
96.05617	0.5
97.02876	1.4
98.97578	0.6
102.15481	0.2
107.08572	0.2
109.02866	0.6
114.92674	0.2
117.06934	0.2
119.03590	0.2
120.11967	0.2
123.06693	1.6
127.03942	0.8
133.05057	0.7
135.05341	0.3
145.04939	1.2
148.06227	0.4
150.07753	100.0
151.08047	0.3
153.01804	0.5
176.05759	0.2
181.04993	0.6
213.56566	0.2
219.01682	0.3
235.05974	0.4
247.06053	0.7
277.07080	0.2
295.08130	0.7
295.11401	4.6
314.20020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03944	14.5
55.01869	5.0
55.05270	1.7
55.05517	19.9
57.07068	3.3
57.96970	1.6
59.05004	1.9
67.05508	41.9
69.03396	1.5
69.07072	37.7
69.22758	1.5
69.28156	2.9
69.28553	10.4
71.04998	2.9
71.08635	3.3
79.05505	26.6
81.03420	51.9
81.07060	41.0
83.04993	14.2
83.08620	13.9
85.10179	2.1
91.05482	14.8
91.27410	1.5
93.07047	31.1
95.04977	32.5
95.08606	20.4
97.06512	4.5
97.10180	8.4
99.08123	2.8
105.07035	19.1
107.04985	3.0
107.08601	22.7
109.06534	7.8
109.10177	12.2
111.08080	3.7
117.07035	4.2
119.08605	10.4
121.10172	8.4
123.08075	3.3
123.11692	5.9
125.09637	8.3
129.06984	2.2
131.08545	3.9
133.10124	13.0
135.08047	2.9
135.11697	9.5
137.05989	5.9
137.13248	1.8
143.08572	3.0
145.10089	2.5
147.11697	13.6
149.09692	1.9
149.13283	10.8
151.11198	26.5
153.09134	3.2
153.12747	1.5
157.10146	2.2
159.11658	2.8
161.09688	2.1
161.13255	16.1
163.11255	1.8
163.14828	6.4
165.12749	4.6
171.11674	5.4
173.13327	3.9
175.11214	1.9
175.14900	3.6
177.12784	2.9
179.14337	3.7
185.13303	3.6
189.11255	2.1
189.12769	3.6
193.12303	2.0
207.13788	3.6
217.19540	3.5
221.15402	2.7
231.21161	6.1
241.19565	7.8
249.22063	3.8
259.20609	8.3
262.02014	1.5
266.81879	1.5
274.19168	2.1
277.21646	100.0
289.09509	1.5
295.22839	4.7
301.22574	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	3.9
55.01878	4.5
55.05515	23.0
57.03447	3.2
57.07064	3.4
65.03942	3.1
67.05508	54.6
69.07068	13.8
71.04981	2.7
71.08635	40.6
71.51893	1.9
79.05499	41.8
81.03420	7.5
81.07063	48.3
83.04990	10.9
83.08625	15.8
85.06554	3.8
91.05489	24.9
93.07052	55.9
95.04957	9.7
95.08611	30.7
97.06540	8.1
97.10188	8.5
98.21514	4.8
99.08096	34.2
105.07038	15.9
107.04987	4.2
107.08597	30.8
109.10165	18.9
111.08063	3.7
113.09698	2.0
117.07010	4.0
119.08564	12.1
121.10147	31.5
123.11732	4.0
125.09624	6.8
129.06929	2.1
131.08568	4.3
133.10139	11.2
135.11688	39.3
137.09627	5.7
141.09169	3.2
145.10114	5.0
147.11681	7.0
149.13293	14.2
151.11166	11.4
157.10150	2.7
159.11697	4.2
161.13269	10.9
163.11185	6.6
175.14801	1.9
177.12779	4.0
179.14319	100.0
189.11183	4.8
195.13786	3.1
215.85469	2.2
221.15370	3.2
235.16777	4.1
259.20648	4.4
269.15207	2.2
277.21637	62.5
295.22571	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03953	3.4
55.01868	5.0
56.96558	2.2
57.03436	32.8
59.04995	2.2
61.02913	7.6
62.36033	1.3
67.05502	3.6
69.03428	100.0
69.07053	2.1
71.01349	3.4
71.04996	4.0
71.56448	1.9
73.02917	30.5
75.04442	1.9
79.05472	4.8
81.03416	17.9
81.07040	4.0
83.04968	4.0
85.02904	70.5
87.04465	36.4
90.40228	1.4
91.03964	2.3
91.05471	9.1
93.07042	5.1
93.69274	1.4
95.04981	4.0
95.08599	4.5
97.02888	69.2
98.97588	2.4
99.04452	15.0
102.96870	6.3
103.03928	7.8
105.07029	3.2
107.04952	4.9
107.08557	2.1
109.02871	11.3
109.06538	2.3
111.04453	2.7
113.02361	2.1
115.03927	70.4
116.98595	2.1
117.05553	1.8
119.04932	3.2
119.08564	2.1
120.08124	2.1
120.97904	2.3
121.02845	2.8
121.10110	2.4
123.04432	5.5
127.03909	17.0
131.08588	1.9
133.04962	57.7
133.06494	2.4
135.04430	1.9
136.07526	2.9
137.06006	2.3
139.03903	3.2
145.02917	1.5
145.04961	29.0
146.03258	1.7
146.05968	5.2
147.04408	7.0
151.03886	3.6
153.01814	2.1
157.10197	2.4
161.04465	2.4
161.09669	1.9
163.03905	1.5
165.05586	1.5
169.04947	8.2
174.05589	1.7
177.01842	3.4
177.05420	2.3
178.05838	3.0
181.04890	2.0
183.06615	1.9
184.05743	2.1
193.04831	1.6
195.02826	7.1
199.06200	1.9
211.05988	1.7
214.06731	12.0
229.07016	2.2
241.07111	6.3
249.03978	4.2
259.08163	5.2
259.13199	1.4
277.09235	5.7
295.05939	23.8
295.09018	1.9
295.15573	2.3
319.97177	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73134	1.1
52.71582	1.0
53.03951	2.2
53.59427	1.3
55.01880	3.4
56.05035	1.4
56.96569	4.7
57.03450	3.0
59.04997	1.3
60.00023	1.3
60.15722	1.3
61.02932	6.5
67.05503	8.0
69.03433	13.5
69.07081	5.5
70.05482	5.8
70.06569	1.5
71.05007	2.8
79.05501	48.2
81.03422	6.9
81.07083	4.1
83.06116	14.5
84.04508	14.9
84.08151	1.5
85.02914	70.9
86.09712	2.6
87.04494	1.9
87.24961	1.2
90.34920	1.2
91.03972	3.0
95.05001	3.0
95.08629	1.7
96.08955	1.4
97.02898	16.0
97.06542	100.0
98.97603	5.9
99.04490	4.0
105.03391	3.9
107.04973	2.5
109.02888	6.2
110.97622	1.6
113.06065	1.8
113.84754	1.2
114.06360	3.5
115.07578	27.5
116.98681	1.7
120.08119	21.0
120.08950	1.6
127.03930	18.9
127.04808	1.6
132.07422	2.6
145.04970	29.9
148.63388	1.2
150.07813	2.0
153.01828	4.0
163.06105	6.3
166.08664	9.6
223.09474	1.6
229.00298	1.5
230.13120	1.7
231.11348	5.7
241.10718	1.9
250.10744	4.2
276.13474	14.1
277.11844	7.3
294.05969	1.3
294.13852	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03938	2.4
53.11149	1.0
53.34393	1.1
53.64316	1.3
55.01863	4.9
55.05508	3.9
55.44160	1.0
56.96548	2.0
57.03439	25.9
59.05000	3.6
60.99794	1.0
61.02917	5.4
65.03947	1.8
67.05515	7.6
68.99749	1.1
69.03433	100.0
69.07072	8.7
71.01362	2.6
71.04996	7.3
71.53827	1.9
73.02921	13.6
75.04482	2.0
79.05499	9.9
81.03426	15.3
81.07059	7.4
83.04986	7.3
83.08637	1.1
85.02909	67.1
86.09727	1.3
87.04475	45.7
91.05484	20.5
92.05832	2.0
93.07047	12.6
95.04976	5.8
95.08607	18.2
97.02895	65.2
97.06521	7.4
98.97590	6.0
99.04473	11.9
102.96883	1.2
103.03943	8.2
103.05443	1.4
105.07027	7.8
107.04962	1.9
107.08623	3.2
109.02905	9.1
109.06516	3.3
109.10161	2.0
111.04446	3.1
113.02393	1.7
115.03938	58.4
116.98692	1.3
117.05515	2.9
117.07040	1.4
119.04961	2.0
119.08639	2.8
121.02925	2.3
121.06478	2.2
121.10155	7.1
123.04423	4.6
123.11707	1.6
124.07594	2.4
125.06051	1.4
126.09198	1.2
127.03925	15.6
131.08554	4.9
133.04968	59.7
133.10100	6.6
135.04424	1.6
135.08031	1.2
138.09171	3.4
139.03902	2.2
139.11179	8.1
141.05421	1.6
143.08510	1.6
145.04962	19.8
145.06262	1.2
145.06493	1.0
145.10117	2.2
147.04431	2.7
149.06012	2.1
149.09724	1.4
150.07709	2.0
151.03914	5.2
153.01837	25.7
157.10098	2.2
159.11714	1.6
161.04457	2.9
161.05814	1.2
161.09630	1.4
163.05957	2.3
163.07625	1.7
163.11159	2.7
165.05516	1.1
169.05006	5.8
170.99596	1.2
175.07639	1.7
175.11211	1.3
177.00612	1.4
179.54448	1.5
181.05060	1.8
187.06102	1.2
187.11238	2.0
188.54922	2.2
189.09106	1.5
192.04196	1.6
193.04968	4.1
193.29202	1.1
200.04605	2.6
214.03108	1.5
215.09175	1.5
217.04987	7.3
219.01884	1.4
223.05946	2.2
229.07054	2.8
231.06615	1.2
233.08131	2.1
233.10236	1.9
235.05974	12.0
241.07195	2.7
259.08188	2.1
277.06970	4.8
277.09314	4.9
277.14484	3.1
287.15866	1.2
291.29675	1.2
295.07977	24.9
295.11630	3.3
295.15628	6.4
297.62161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.92502	0.9
53.03944	1.6
55.01865	1.6
55.05268	1.1
55.05516	11.5
57.07071	3.7
59.04984	1.0
59.76547	0.9
65.03929	3.8
65.13271	0.9
67.05507	93.3
68.38442	0.9
69.07072	13.3
71.04977	1.3
71.08600	1.0
71.55431	1.1
79.05074	1.4
79.05497	20.6
81.07057	100.0
83.04977	2.7
83.08617	6.8
85.06537	3.7
90.55013	0.8
90.75435	1.0
91.05077	0.9
91.05495	10.0
93.07050	20.7
95.04965	2.0
95.08609	80.4
97.06537	3.7
97.10165	3.3
99.08140	0.9
101.06027	0.9
105.07014	9.0
107.04929	1.6
107.08598	15.3
109.06479	2.3
109.10158	34.2
111.04440	1.1
111.08055	1.1
111.11703	1.5
117.06986	2.7
119.08579	7.2
121.06470	1.3
121.10137	10.7
123.08052	2.0
123.11706	18.6
125.09605	1.8
129.07022	1.4
131.08575	8.7
133.10129	5.9
135.08022	1.5
135.11690	8.1
137.09619	4.2
137.13258	11.0
139.11142	1.1
141.09105	1.0
145.10088	4.3
147.11710	5.1
149.02386	1.2
149.09636	5.2
149.13248	5.0
151.11211	2.4
151.14824	3.3
159.11714	5.9
161.13261	4.0
163.11214	4.0
163.14799	2.3
165.12729	1.8
173.13286	7.1
175.14873	1.1
177.12772	3.0
177.16403	2.1
179.14253	1.6
181.12167	1.3
187.14842	4.4
191.14294	3.6
195.13811	1.1
201.16295	1.2
205.15941	1.3
209.11755	2.0
219.21126	1.9
223.16901	1.8
229.19482	1.3
237.11200	3.0
243.21144	7.0
257.19080	2.2
261.22186	8.5
275.20135	9.8
275.23016	1.5
293.21167	5.0
293.24771	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05516	6.8
57.07073	5.0
65.03930	2.7
67.05142	2.6
67.05505	91.5
69.07067	11.7
69.21601	14.2
79.05496	11.9
81.07057	100.0
83.04969	2.6
83.08618	4.4
85.06512	1.5
91.05471	3.5
93.07043	15.7
95.04963	1.5
95.08611	78.7
95.48605	1.2
97.06503	4.0
97.10157	4.8
105.07019	5.3
107.08599	10.3
109.06524	1.6
109.10164	41.3
111.04463	1.5
117.07015	1.4
118.70802	1.4
119.08543	3.6
121.10173	7.2
121.10912	1.9
123.08008	2.0
123.11707	25.3
131.08562	5.0
133.10031	2.5
135.11707	4.2
137.09619	2.6
137.13264	10.1
145.10085	4.8
147.11644	3.6
149.09644	1.8
149.13242	4.8
151.14783	2.8
159.11664	2.8
161.13219	4.3
163.11278	1.8
163.14803	2.4
173.13264	2.1
177.12799	1.7
177.16399	2.3
179.14407	1.9
187.14760	3.1
191.14302	2.4
209.11638	3.1
212.49777	1.4
237.11258	4.5
243.21063	5.1
261.22049	7.2
293.21497	2.3
293.24731	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	4.6
55.01879	9.7
55.05512	23.2
57.03419	3.5
57.07059	2.3
65.03945	2.6
67.05180	1.3
67.05507	34.2
69.03425	4.1
69.07072	20.8
69.79861	8.0
71.04999	3.9
75.75485	1.6
79.05496	38.8
81.03436	9.8
81.07062	52.8
83.04980	4.1
83.08620	12.4
85.02917	3.6
85.06543	2.0
91.05486	27.5
93.07047	29.7
93.23750	1.6
95.04970	12.6
95.08614	23.6
95.39059	1.4
97.02881	1.6
97.06535	12.9
97.10178	12.7
98.97574	1.5
99.08083	2.6
103.05457	17.3
105.03426	2.4
105.07037	28.6
107.04972	11.2
107.08605	43.4
107.86101	1.7
109.02880	1.6
109.06515	13.0
109.10159	16.2
111.08105	3.7
117.07024	7.4
119.08584	24.3
121.06542	3.2
121.10152	12.2
123.08081	6.1
123.11703	5.5
123.42485	1.6
125.09640	10.3
129.06987	3.9
131.04935	50.4
131.08562	12.8
133.10143	19.9
135.08083	4.7
135.11678	7.1
137.09613	7.2
139.11279	1.7
145.10150	12.4
145.85727	1.4
147.11685	17.8
149.06006	1.7
149.09645	11.8
149.13254	5.0
151.11159	6.5
152.24808	1.6
155.08583	1.9
157.10143	2.1
159.11687	9.5
161.09605	2.4
161.13252	4.2
163.11209	8.1
165.09138	3.8
165.12744	1.8
169.10098	3.0
171.11725	3.6
173.13222	5.4
175.11139	2.6
177.12764	4.8
179.14354	2.1
187.11186	2.4
187.14888	2.3
189.11226	4.7
193.12192	1.6
229.19510	5.5
233.18971	2.4
239.17931	6.0
247.20561	6.3
257.19040	12.2
275.09021	3.0
275.20078	100.0
276.20544	1.9
293.21140	37.1
293.24323	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	5.4
55.01861	4.2
55.05508	24.9
55.99105	2.0
56.96558	4.9
57.03440	12.2
57.07055	2.2
66.84001	2.0
67.05180	3.6
67.05505	36.6
69.03420	2.2
69.07061	15.3
69.79592	2.3
69.79863	10.3
71.04985	5.8
73.06590	2.4
79.05498	56.4
81.03410	5.4
81.07057	47.8
83.04979	6.8
83.08608	14.9
85.06535	5.6
87.20176	1.8
91.05486	52.7
93.06487	3.0
93.07048	57.6
95.04953	9.8
95.08615	36.7
95.09225	1.5
97.06528	5.5
97.10159	11.5
98.20784	2.4
98.97576	8.0
99.08122	2.3
103.05473	11.2
105.04600	2.8
105.07033	46.2
107.04966	3.5
107.08602	69.7
109.06526	8.3
109.10157	16.5
111.08065	4.9
116.98608	2.5
117.07028	11.6
119.08593	33.5
119.32377	1.8
121.06515	5.4
121.10135	19.2
123.08051	6.4
123.11726	3.5
125.09618	8.8
128.06212	3.0
129.07008	5.1
131.04939	24.5
131.08611	18.6
133.10132	26.5
135.08031	6.0
135.11691	8.6
137.05942	2.2
137.09634	3.0
143.08571	7.2
145.10135	16.9
147.04396	2.1
147.11687	18.0
149.09636	14.3
149.13280	4.1
157.10139	6.8
159.11725	17.6
161.09642	3.9
161.13277	11.8
163.11179	9.0
166.95207	2.0
171.11681	3.5
173.13278	7.5
175.11137	5.4
177.05597	1.9
177.12769	2.3
179.10634	2.0
183.11731	2.9
185.13235	18.7
189.11238	7.1
189.12752	2.2
201.03427	2.1
201.16325	3.8
203.14331	15.5
205.15807	4.2
215.14253	2.2
219.17441	14.8
221.15359	19.0
229.07350	2.6
229.19516	3.6
239.17990	9.5
257.19016	20.5
264.71063	1.9
267.63080	2.2
275.20062	100.0
293.17682	3.4
293.21008	25.8
293.24365	2.8
293.27820	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.36039	0.6
53.03935	1.3
55.01878	3.5
55.05272	0.8
55.05513	10.6
56.96524	0.7
57.03432	1.5
57.07066	1.5
65.03930	1.1
67.05511	22.0
69.03414	1.1
69.07074	19.8
70.78810	2.0
71.04977	1.9
79.05070	0.8
79.05495	13.4
81.06596	1.2
81.07062	24.2
83.05000	6.0
83.08620	4.2
85.06538	2.0
91.04907	0.7
91.05484	15.3
93.06483	1.1
93.07047	19.6
95.04976	6.3
95.08616	16.4
97.06514	3.4
97.10171	2.2
99.43143	0.7
103.05452	0.8
105.07034	18.5
107.04964	5.6
107.08602	12.8
109.06522	8.0
109.10158	9.1
111.08090	1.2
117.07026	6.2
119.08588	12.0
121.06523	7.3
121.10128	7.2
123.08076	2.8
123.11697	2.6
125.09616	0.7
129.06995	1.2
131.08568	9.9
133.06500	1.9
133.10135	12.6
135.08061	3.7
135.11723	4.2
137.09618	2.8
143.08549	1.6
145.06456	1.5
145.10144	9.5
147.08041	2.4
147.11703	11.0
149.09657	4.1
149.13257	2.5
151.11194	6.3
155.08557	1.3
157.10106	2.1
159.08055	1.6
159.11696	5.7
161.09631	2.6
161.13254	2.5
163.11218	4.0
165.09085	0.7
169.10112	0.8
171.11710	2.0
173.09631	1.9
173.13309	4.7
175.11211	2.2
175.14772	1.2
177.12721	2.2
179.14267	0.6
183.11694	2.4
185.13292	1.3
191.14330	2.5
197.13322	1.1
201.12733	2.6
201.16425	0.6
207.13821	3.4
215.17935	2.2
217.15891	1.0
219.13774	3.6
229.19574	2.2
231.17618	0.6
233.18919	0.8
239.17918	2.4
247.20647	3.1
257.19019	11.7
258.10342	0.7
275.20074	100.0
293.21124	30.1
294.21671	0.8
302.81760	0.7
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-OxoOTrE
Peak:m/z	Relative Intensity
51.77621	2.5
53.03941	4.2
55.01863	9.9
55.05272	3.5
55.05516	47.8
61.98616	2.6
65.03922	3.0
67.05508	32.2
69.07056	9.9
69.34934	4.9
69.35338	18.8
71.04987	3.2
77.18378	3.1
79.05496	72.6
81.07044	20.5
83.04974	17.8
83.08640	15.7
83.42200	3.1
91.05470	22.7
93.07052	40.2
95.04960	6.5
95.08600	11.3
97.06529	4.4
97.10180	28.4
105.07023	28.5
107.04959	32.5
107.08594	60.6
109.10162	20.4
117.07029	10.1
119.08579	19.7
121.10146	23.4
121.30685	2.7
123.08128	3.8
123.11726	4.9
125.09626	26.3
131.08569	8.9
133.10138	21.4
135.08049	7.2
145.10129	10.2
147.11684	12.8
149.09622	88.0
149.13376	2.8
153.09068	5.6
159.11716	9.4
161.13220	5.3
163.14850	4.0
169.12244	8.6
171.10208	6.1
171.11523	2.7
173.11809	4.0
173.13335	5.4
187.11139	3.0
187.14888	4.0
189.11298	18.7
209.15363	7.9
215.17935	3.7
229.19476	8.1
257.19031	20.4
275.20084	100.0
293.21152	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	3.7
55.01878	22.9
55.05516	21.9
57.01554	1.3
57.03439	2.1
57.07061	1.8
65.03927	1.6
67.05177	2.2
67.05510	28.3
69.03461	1.4
69.07073	17.7
69.86963	7.2
71.05002	1.6
79.05495	39.9
81.03432	6.5
81.03810	1.3
81.07064	30.1
83.04990	3.8
83.08611	11.9
91.05489	26.9
93.07043	22.4
95.04963	7.5
95.08612	18.1
97.06541	27.8
97.10164	15.4
105.07036	28.2
107.04959	7.4
107.08599	76.1
109.06528	6.2
109.10179	8.5
111.08080	2.4
117.07044	7.1
119.06078	1.9
119.08583	17.1
121.06506	2.6
121.10148	10.2
123.08079	4.3
123.11726	3.4
125.09638	16.9
129.06998	1.7
131.08580	10.0
133.10132	19.4
135.08067	3.2
135.11684	8.6
137.09595	3.9
143.08582	2.2
143.10832	1.6
145.10115	12.0
147.11711	13.1
149.09639	17.0
149.13239	2.2
151.11183	5.0
157.10121	1.7
159.11696	7.0
161.13274	3.7
163.11174	5.7
165.09134	4.3
171.10109	1.9
171.11559	1.5
173.13234	3.3
175.11205	1.7
177.12791	3.0
179.14391	2.4
181.12199	2.1
187.11186	4.9
189.11253	11.0
219.13770	1.8
229.19513	5.0
239.17963	5.2
247.20586	2.8
257.19070	13.1
275.20078	100.0
293.21173	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01870	9.3
55.05511	35.9
57.03435	4.1
57.07077	3.8
65.03925	2.1
67.05506	42.0
69.03420	4.6
69.07067	21.8
69.75352	8.1
71.04991	4.1
72.12252	1.8
78.29551	1.5
79.05496	63.8
79.99255	1.7
81.03416	4.8
81.07061	39.8
83.04977	7.5
83.08620	22.4
85.06512	1.7
89.37986	1.5
91.05481	34.3
93.07047	36.1
95.04984	13.5
95.08611	21.5
97.00285	1.5
97.06537	14.9
97.10173	26.1
99.15819	1.6
102.60862	1.7
103.05479	1.8
104.86083	1.6
105.07033	40.8
107.04948	8.3
107.08600	100.0
109.06510	6.8
109.10158	12.1
111.08104	4.0
117.07010	11.1
119.06067	1.8
119.08580	20.9
121.06522	2.5
121.10146	18.1
123.08046	4.5
123.11729	4.5
125.09631	24.3
131.08557	14.7
133.10129	22.0
135.08035	7.1
135.11694	5.6
137.09627	10.0
139.07558	1.8
139.11212	2.4
143.08562	3.3
145.10129	15.3
147.11676	16.2
149.09633	14.4
149.13268	2.5
151.11258	2.9
153.09119	1.6
155.10719	1.8
157.10071	3.4
159.11717	10.7
161.13271	7.1
163.11197	6.8
163.12573	1.4
163.14737	1.7
169.10193	2.4
171.10196	5.4
171.11656	4.0
173.11812	2.0
173.13284	4.6
177.12825	2.6
179.10735	1.8
179.14311	1.8
181.12245	3.7
183.11777	2.3
187.11093	1.9
189.11218	21.0
197.13274	1.9
205.12267	2.2
229.19539	2.9
239.17892	4.7
257.18982	13.7
275.20059	99.8
285.11581	1.8
293.21106	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	3.1
55.01874	22.6
55.05514	21.6
57.03437	1.9
57.07100	1.5
65.03934	2.4
67.05508	26.2
67.05861	0.9
69.03424	1.7
69.06728	1.7
69.07069	18.3
70.73335	3.6
71.04958	3.0
76.39233	1.2
79.05493	35.5
81.03417	5.6
81.07062	24.2
83.04971	5.7
83.08619	9.9
84.22980	1.1
91.05479	22.2
93.07043	28.2
94.30261	1.4
95.04975	7.2
95.08608	19.3
97.06537	24.7
97.10180	13.9
103.05485	1.4
105.07039	27.2
107.04970	9.7
107.08598	66.8
109.06514	5.8
109.10161	7.0
117.07021	8.2
119.08584	18.1
121.06517	2.6
121.10150	9.3
123.08069	5.3
123.11749	2.8
125.09653	10.6
131.08575	11.7
133.10143	17.2
135.08083	5.1
135.11700	6.7
137.09590	3.4
143.08549	2.1
145.06445	1.9
145.10120	12.9
147.11691	11.5
149.09627	14.8
149.13269	2.9
151.11186	4.5
157.10135	1.7
159.11659	10.2
161.09686	1.5
161.13231	4.6
163.11180	6.0
165.09131	4.5
169.10161	2.9
173.13268	4.0
175.11159	2.1
175.14931	1.5
177.05495	2.1
177.12787	3.1
178.06262	1.5
179.14209	1.5
181.12274	2.7
183.11731	1.5
185.13293	1.6
187.11215	5.5
187.14853	1.7
189.11243	12.0
197.13371	2.7
219.17404	2.9
229.19536	4.3
233.11629	1.6
239.17900	5.4
247.20598	3.1
257.19043	12.6
269.70309	1.5
275.20056	100.0
293.21106	19.7
302.05539	1.3
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	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	3.3
54.78448	1.2
55.01879	13.2
55.05276	2.0
55.05514	24.2
56.97517	0.9
57.03416	1.3
60.63115	1.2
65.03943	2.6
67.05180	1.8
67.05507	19.5
68.09937	1.0
69.03419	2.1
69.06786	1.1
69.07072	12.6
71.04981	2.4
71.43980	1.1
73.45837	1.2
79.05495	40.4
81.03430	5.6
81.07059	20.5
83.04977	4.0
83.08617	12.5
83.63068	1.1
91.05489	27.3
91.06358	1.2
93.07048	19.1
95.04948	3.4
95.08610	13.1
97.06532	16.1
97.10184	16.9
105.06402	1.8
105.07045	29.6
107.04977	7.6
107.08601	100.0
109.06491	5.6
109.10149	6.2
111.08087	2.0
117.07008	4.8
119.06049	2.2
119.08583	14.3
121.06461	1.9
121.10152	7.9
123.08052	3.4
123.11693	2.3
125.09631	16.7
125.57125	1.3
131.04942	1.6
131.08583	7.3
133.10132	15.8
135.08047	3.3
135.11664	4.2
136.31059	1.1
137.09592	2.4
143.08606	1.5
145.06459	1.3
145.10143	11.0
147.11676	10.6
149.09653	11.3
149.13266	2.2
151.11185	3.2
153.09036	2.5
157.10181	1.9
159.11728	7.5
161.09505	1.9
161.13239	2.8
163.11142	3.3
165.09097	2.1
169.10120	1.5
171.10110	3.1
171.11652	2.4
173.13251	4.1
175.11217	1.5
177.12727	2.1
181.12225	2.0
187.11182	1.6
189.11227	12.8
189.12746	1.7
197.13234	1.5
199.15091	1.1
229.19531	2.7
239.17952	4.7
247.20605	3.1
257.19083	9.4
275.20078	89.3
293.21133	9.5
304.54053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.82850	1.8
53.03944	3.8
54.38691	1.9
55.01862	6.3
55.05275	2.8
55.05516	43.1
57.03427	6.4
57.07067	4.1
57.07354	2.0
59.04989	2.1
65.03945	2.4
67.05508	32.1
69.03420	3.8
69.07077	16.3
71.05380	5.0
79.05494	48.3
81.03410	2.7
81.07057	30.3
83.04981	6.0
83.08619	22.6
85.06518	3.2
86.16164	2.6
91.05488	32.5
93.07050	25.6
95.04975	9.2
95.08615	22.3
97.06526	8.4
97.10172	26.3
100.33973	1.9
101.51293	2.2
104.10707	2.3
105.07035	39.9
107.04987	6.3
107.08601	100.0
109.06515	8.2
109.10190	11.2
111.08062	2.6
117.06998	9.4
119.06055	2.2
119.08576	22.7
121.06506	2.9
121.10155	15.0
123.08046	3.6
125.09635	22.4
129.06972	2.3
131.08589	14.1
133.10136	26.7
135.08046	6.1
135.11684	4.5
137.09608	5.6
139.11171	2.6
139.99361	2.2
143.08583	3.6
145.10159	12.4
147.11664	13.1
149.09642	18.9
157.10109	2.8
159.11710	7.3
161.13297	2.5
163.11258	3.8
171.10208	5.0
171.11676	4.0
173.13254	3.9
174.79987	2.9
181.12254	2.9
183.11783	2.8
189.11212	21.8
201.12735	2.4
219.17506	12.5
223.13261	4.1
229.07462	6.1
229.19441	4.0
237.11183	4.5
239.17934	5.1
247.08568	2.3
247.20662	3.1
255.54681	2.1
257.19073	12.5
275.20084	89.5
293.21094	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	3.3
55.01874	9.6
55.05512	19.2
56.96564	2.3
57.03425	2.2
57.07085	1.4
57.53097	1.1
59.04990	1.5
65.03930	2.0
67.05506	25.0
69.03426	2.6
69.06724	1.6
69.07070	18.7
70.61141	2.2
71.04986	1.7
79.05497	39.7
81.03432	6.1
81.07062	27.4
83.04987	3.6
83.08627	11.1
84.00662	1.2
85.02891	1.3
91.05479	27.0
91.06024	2.3
92.75237	1.2
93.07047	27.6
95.04980	7.5
95.08604	21.1
97.06536	15.4
97.10165	15.0
103.05468	6.4
105.07037	29.3
107.04965	6.8
107.08598	70.6
109.06497	6.8
109.10149	10.5
109.30453	1.1
111.08072	3.6
117.07033	7.5
119.07806	1.7
119.08597	19.5
121.06509	3.5
121.10133	11.8
123.08055	5.4
123.11707	4.7
125.09651	12.8
129.07002	2.6
129.49080	1.0
131.04921	20.3
131.08582	8.7
133.10150	18.0
135.08041	5.4
135.11690	6.1
137.09589	2.9
137.13254	1.5
138.94362	1.2
141.06999	1.3
143.08522	2.6
145.06448	1.4
145.10124	13.6
147.11716	13.4
149.08559	1.6
149.09633	15.3
149.13164	2.0
151.11180	4.6
153.09178	1.3
153.12790	1.8
157.10197	2.1
159.11687	7.7
161.09691	2.1
161.13235	5.0
162.41684	1.2
163.11195	6.6
165.09129	3.5
169.10185	2.4
171.10179	2.0
171.11650	2.6
173.13263	4.1
175.11145	1.9
177.12785	2.2
181.12149	1.9
183.11729	2.7
185.13280	2.7
187.11179	1.9
187.14854	1.4
189.11224	9.3
189.12781	1.6
197.13243	1.6
201.12761	1.7
211.14812	1.5
219.17406	1.4
221.15355	1.5
223.13390	2.4
229.07671	2.5
229.19525	3.8
239.18030	5.9
247.08479	1.6
247.20601	4.4
248.85213	1.4
257.19003	7.9
270.10925	1.4
272.14465	1.6
275.20071	100.0
293.21088	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01859	1.3
55.05494	2.3
57.03416	2.5
59.02005	0.6
59.99411	0.5
61.02907	0.8
61.76644	0.6
64.92918	0.5
65.03931	0.8
67.05489	2.2
68.14902	0.5
69.03090	0.8
69.03431	13.3
69.07046	1.6
71.04976	1.8
71.45551	0.6
73.02896	0.6
77.03911	0.8
79.05068	0.8
79.05492	8.8
81.03419	37.6
81.07062	6.8
83.04961	1.6
85.02903	5.7
85.06528	0.5
87.04493	0.7
89.03925	4.0
90.12118	0.6
91.05485	7.9
93.07046	24.3
95.04961	3.6
95.08612	3.4
97.02898	5.8
97.06520	1.5
98.97601	0.9
99.04456	2.8
99.08089	1.1
103.05468	29.1
105.04501	0.7
105.07029	6.8
107.04948	1.3
107.08592	6.8
109.02884	17.6
109.06500	1.5
109.10141	1.1
111.04439	1.4
117.03381	13.7
117.07021	2.3
119.08588	10.1
121.06506	1.8
121.10149	23.8
123.08086	1.3
125.06015	0.7
127.03928	5.4
129.05504	0.9
129.07001	0.8
131.04930	100.0
131.08540	3.5
133.07472	0.6
133.10088	1.2
134.03624	1.1
135.04414	1.3
135.11656	0.8
142.07700	0.6
145.02850	39.0
145.06496	0.7
145.10139	2.2
147.11655	0.7
149.02344	1.8
149.05977	9.5
149.09624	9.8
159.07977	0.6
159.11702	1.0
161.09760	0.6
162.03082	0.6
163.03949	2.8
167.10690	0.8
175.11319	0.6
177.05470	83.1
189.32259	0.5
195.06544	11.1
195.08234	0.7
213.15164	0.6
247.13327	1.2
275.09198	5.3
275.12540	1.2
275.20007	0.9
293.10742	1.2
293.13916	21.6
293.17374	2.9
293.21057	1.6
293.24399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
52.32058	0.2
53.03962	1.1
55.01876	0.4
55.05512	0.9
56.96551	0.3
57.03437	0.6
61.02920	0.2
61.86764	0.2
66.17732	0.2
67.05501	0.5
69.03433	5.2
69.07073	0.5
69.91746	0.2
70.80745	0.4
70.81095	0.2
71.01379	0.2
71.04984	0.8
77.03931	0.6
79.05497	0.5
81.03419	7.9
81.07043	0.9
83.04987	0.3
85.02914	3.4
91.05476	0.8
93.07056	0.9
95.04998	0.7
95.08620	0.4
95.18344	0.2
95.31305	0.2
97.02898	2.5
97.06557	0.2
98.24672	0.2
98.97593	0.5
99.04460	0.9
103.05472	30.1
103.71274	0.2
105.04524	0.2
105.07031	0.5
107.04981	0.4
107.08620	0.5
108.66580	0.2
109.02883	4.2
109.10166	0.5
110.92274	0.2
119.08579	0.7
121.02895	0.3
121.10170	1.0
123.11729	0.3
127.03928	1.8
131.04933	100.0
132.05286	0.3
135.11661	0.2
147.04318	0.3
149.02344	2.6
149.05971	3.0
149.09593	0.4
153.01819	0.4
175.07498	0.2
177.05429	0.4
203.07130	0.2
275.09146	5.9
275.12299	0.4
275.20004	0.3
293.10226	1.2
293.13815	2.2
293.17294	0.6
293.20996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1233
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03950	1.2
55.01874	2.1
55.05531	0.5
56.96566	1.0
57.03440	4.6
57.07080	8.7
59.05013	1.0
61.02930	6.2
65.03934	1.2
67.05511	15.8
69.03436	13.5
69.07070	2.2
71.01360	0.6
71.04995	5.8
72.50562	0.5
73.02924	2.0
79.05492	0.8
81.03426	4.8
81.07061	1.9
85.02912	69.9
85.06549	5.3
87.04475	1.6
91.03958	3.7
91.05464	0.6
93.07040	0.6
95.04978	19.6
95.08609	1.6
97.02901	15.1
97.03529	0.9
97.06538	0.5
98.21518	1.4
98.97595	1.6
99.04478	2.1
101.02402	0.6
103.03911	0.4
105.03450	0.6
107.05006	0.5
107.08543	0.5
109.02897	6.1
109.10178	0.6
113.06013	41.0
115.03970	1.1
115.07557	0.7
116.98657	0.6
119.08510	0.4
119.23607	0.4
123.04445	0.6
127.03924	14.2
128.22891	0.4
129.01871	0.4
130.29517	0.4
130.39655	0.4
131.07051	100.0
132.00565	0.4
139.03908	0.5
145.04964	18.9
147.75044	0.4
149.01244	0.5
161.07092	1.4
163.06038	2.7
175.02547	0.4
194.73596	0.5
195.01335	0.4
225.15443	0.4
229.27486	0.4
275.20007	0.6
293.11285	0.6
293.14490	0.5
293.21130	0.5
301.49448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01860	2.9
55.05512	1.1
56.96569	4.2
57.03442	5.4
57.07075	8.0
59.04997	4.8
61.02932	7.2
65.03949	0.7
67.05507	20.2
69.03430	23.8
69.07072	3.6
69.58842	4.6
70.06590	0.9
71.04984	6.0
72.08167	1.0
73.02623	0.7
73.02923	7.0
79.05494	2.0
79.30934	0.8
81.03416	9.1
81.07057	4.7
84.08147	1.0
85.02908	79.9
85.06550	7.5
85.80937	0.7
87.04487	4.6
91.03955	2.8
91.05466	2.0
93.07043	3.2
95.04975	22.0
95.08614	4.5
97.02291	1.6
97.02890	19.4
98.97595	5.6
99.04471	4.3
103.03917	0.9
105.03425	0.8
105.07025	1.5
107.04977	1.8
107.08595	1.4
109.02887	8.4
109.10176	2.3
110.97607	0.9
111.04473	0.8
112.99130	1.0
113.06009	39.8
115.03920	1.3
115.07545	1.8
116.98623	2.1
117.07032	0.9
119.04952	1.2
119.08577	1.2
123.04408	1.5
123.08167	1.0
123.11705	2.0
127.03920	26.5
128.98611	1.3
129.05461	1.3
131.00159	0.8
131.07047	100.0
133.07578	1.0
134.99690	1.1
135.04396	1.0
137.05925	0.8
139.03938	2.1
139.65918	0.7
143.00208	0.9
145.04961	20.2
147.04459	1.0
151.03880	1.5
153.05432	1.0
158.99619	1.0
161.05939	1.5
161.07133	9.6
163.03896	1.2
163.06049	1.4
163.90495	0.9
171.06482	1.2
173.13254	0.7
175.04396	1.1
177.00763	1.4
213.07513	1.2
219.01775	2.4
237.02847	2.0
244.02448	0.7
257.09311	2.2
275.10754	1.0
275.20111	1.8
293.05649	1.5
293.11249	3.3
293.21249	1.1
293.24728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02379	0.5
53.03949	1.1
55.01859	0.3
55.05511	1.4
56.96550	0.2
57.03444	1.0
57.21109	0.2
61.02925	0.4
64.11195	0.2
65.03952	0.2
67.05496	0.6
69.03076	0.4
69.03430	4.5
69.07077	0.3
69.32629	0.2
71.04992	0.7
71.54879	0.3
73.02927	0.3
73.06537	0.4
77.03933	0.4
79.05497	0.9
81.03419	7.7
81.07058	0.9
85.02915	3.9
85.06548	0.4
86.09712	0.3
91.05486	0.9
93.07050	2.1
95.04968	0.6
95.08623	0.6
97.02901	2.6
98.97604	0.4
99.04458	0.9
103.05470	30.4
105.04535	0.4
105.07045	0.6
107.04952	0.6
107.08601	0.9
109.02886	3.3
109.06480	0.3
109.10195	0.6
119.04964	0.2
119.08596	0.9
121.02892	0.3
121.06478	0.3
121.10137	1.5
127.03915	1.6
131.04933	100.0
132.05310	0.4
133.10109	0.2
135.11746	0.5
139.04001	0.3
145.10115	0.3
147.04384	0.4
147.08044	0.3
149.02356	3.6
149.05977	2.6
149.09634	0.6
150.06741	0.2
161.05948	0.3
175.07581	0.6
203.07072	1.0
275.09216	4.0
275.12381	0.4
275.20145	0.4
293.10281	1.2
293.13824	1.4
293.17355	0.4
293.21298	0.4
293.24500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
50.92418	0.1
51.02372	0.4
53.03942	1.0
55.01871	0.2
55.05509	0.2
56.96564	0.2
57.03433	0.7
61.02933	0.2
67.05515	0.2
69.03435	4.4
69.07082	0.2
69.44638	0.9
71.05006	0.4
73.02939	0.2
77.03911	0.4
79.05503	0.4
81.03420	7.0
81.07080	0.3
83.04987	0.2
85.02911	4.0
91.05478	0.4
93.07042	0.6
95.04958	0.4
95.08626	0.4
96.74685	0.1
97.02892	1.9
98.21487	0.2
98.97584	0.2
99.04469	0.5
102.04688	0.2
103.05472	29.4
105.03393	0.6
105.04517	0.3
105.07053	0.4
107.04954	0.4
107.08589	0.4
109.02880	2.8
109.10157	0.2
109.80341	0.2
117.07031	0.2
119.08611	0.4
121.10152	0.5
127.03929	1.7
131.04933	100.0
132.05275	0.5
145.05025	0.2
147.04424	0.3
149.04834	0.1
149.05994	2.9
173.13235	0.2
233.08151	0.3
260.32721	0.2
275.06125	0.2
275.09146	4.6
275.19983	0.4
282.00702	0.2
293.10266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22112	1.3
53.03942	4.9
55.01863	5.6
55.05507	2.6
56.96566	54.5
56.96849	2.9
57.03437	14.7
59.05004	3.6
60.04510	1.9
61.02931	18.6
65.03936	1.4
65.63992	1.4
67.05499	2.6
69.03433	52.6
69.07069	3.1
69.13980	1.3
69.53145	6.7
69.53551	2.6
70.06577	3.9
70.98107	2.7
71.01369	1.5
71.04987	5.8
71.95264	2.0
72.08160	2.5
73.02917	23.5
73.48618	1.3
73.89059	1.2
74.97617	1.8
79.05488	3.9
81.03419	19.4
81.07066	2.3
83.01332	1.9
83.04991	2.1
84.04503	2.0
84.08141	2.8
84.96054	10.8
85.02908	88.2
86.03250	2.2
87.04469	18.6
91.03957	7.1
93.07085	1.5
95.04984	3.1
97.02895	60.8
97.06557	2.0
97.96795	1.8
98.03221	4.2
98.20761	2.5
98.97587	100.0
99.04469	7.9
99.97900	3.3
101.00827	1.5
102.96942	1.5
107.04945	4.1
107.08599	2.1
109.02885	12.9
110.01270	2.9
110.03716	2.0
110.97575	27.0
111.04436	2.9
112.07627	5.6
112.99136	4.5
113.06010	2.7
115.03938	1.7
116.07087	1.6
116.98632	33.7
119.01871	7.6
119.04950	2.0
120.08150	1.5
121.06509	1.9
123.04430	3.6
124.99087	3.9
125.01685	1.4
127.00687	2.1
127.03912	26.2
127.04880	1.5
128.02339	4.4
128.04227	1.8
128.98602	29.3
129.05498	10.5
130.05782	7.4
130.08644	32.8
130.97202	1.4
131.00191	5.3
131.01874	4.6
131.04900	1.7
134.99663	9.6
135.04420	2.6
137.02686	1.4
137.05971	6.4
139.03975	2.6
140.00179	2.7
140.02307	2.5
140.98618	4.6
141.02101	2.0
143.00183	10.1
143.01866	2.3
144.00468	1.7
144.98085	1.6
145.03310	1.9
145.05003	11.9
145.06039	2.0
146.99648	16.6
147.03226	2.4
147.04393	2.9
148.03777	1.5
149.01241	3.8
149.06038	2.2
151.04028	1.6
152.02258	1.7
152.98605	6.3
156.98062	2.5
158.99673	13.0
161.01309	7.5
161.02800	6.9
162.01711	1.6
162.03400	1.6
163.02734	2.0
165.00723	4.0
165.03110	4.9
169.01814	2.0
170.99681	10.8
172.97595	1.6
173.01212	2.9
173.02817	1.4
174.03584	2.7
174.99146	4.4
175.02870	2.4
175.04398	2.5
177.00749	8.7
182.01952	1.4
182.03270	6.9
182.99710	2.4
184.04721	2.2
185.01401	2.6
185.03012	3.0
186.01605	2.1
186.99104	1.8
187.02927	1.9
189.00731	9.0
189.04256	7.0
190.98689	2.7
191.03906	4.0
193.00227	3.8
194.00591	2.0
194.97470	1.5
197.06480	1.6
198.03505	2.2
199.99956	1.8
200.04561	2.0
201.00681	7.4
201.04202	3.0
201.05907	1.7
202.02486	1.6
202.05028	2.3
202.06725	2.5
203.02249	3.6
204.02779	1.6
205.00278	1.8
207.04095	2.8
209.01250	1.9
211.07201	3.6
212.98503	1.7
213.00650	2.3
216.04729	5.6
219.01768	41.4
219.03908	3.0
220.01990	2.6
221.05075	2.2
223.04791	1.7
227.02237	6.4
228.04669	3.2
237.02824	63.4
237.05238	31.6
237.55370	2.5
238.03194	5.0
239.02223	3.6
246.05809	1.7
246.09731	1.6
249.99608	2.0
250.03134	2.0
251.04404	2.9
255.03934	3.5
257.03253	3.5
261.02756	2.0
269.03165	1.8
272.02026	2.3
272.06778	2.1
274.97507	1.8
281.02759	4.7
287.00848	1.8
291.59360	1.8
292.03979	1.5
292.07001	25.9
292.10098	3.4
292.57257	4.3
293.05432	4.8
300.10062	1.6
311.03983	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	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60853	1.7
62.08422	1.7
69.44270	12.4
69.44669	2.3
74.97638	1.5
101.00879	2.2
143.01898	10.1
155.01845	2.8
161.02948	7.0
173.02985	2.7
203.03970	3.1
203.44241	2.2
277.26202	1.8
293.06348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.94035	3.1
55.05512	25.1
57.07066	4.3
67.05513	34.0
69.07068	14.2
70.71499	9.5
79.05497	64.2
81.07056	38.2
83.08608	10.3
91.05481	35.2
93.07049	100.0
95.04973	4.2
95.08607	38.1
97.06545	3.3
105.07035	18.9
107.08603	52.2
109.10144	14.4
109.83652	3.8
111.08080	4.5
117.07034	8.6
119.08594	22.5
121.10162	54.8
123.04418	9.6
123.11701	3.9
131.08603	7.2
133.10138	12.2
135.08034	4.9
135.11700	50.1
139.03926	8.5
143.08585	4.3
145.10120	9.1
147.04430	6.2
147.11682	9.6
149.13269	27.8
159.11668	7.9
161.13272	8.9
163.14847	8.3
172.88832	3.8
173.13228	4.2
175.14854	5.4
259.20581	11.4
291.19656	18.0
291.23132	96.3
291.26633	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.58422	0.3
53.03936	0.8
55.01873	1.4
55.05517	6.4
55.96549	0.3
56.96546	0.4
57.07050	0.4
59.04984	0.3
62.78135	0.3
65.25657	0.3
67.05506	4.3
69.03415	0.9
69.06781	0.3
69.07072	3.0
71.04991	0.6
79.05498	6.0
79.17191	0.3
81.03397	0.8
81.06599	0.3
81.07060	5.7
83.04971	1.0
83.08622	2.7
85.06552	0.4
91.05485	5.4
93.07053	5.5
95.04971	2.4
95.08604	3.1
97.06499	0.7
97.10191	2.9
98.98422	0.3
103.05501	0.5
105.04552	0.3
105.07030	5.8
107.04961	2.0
107.08598	2.9
109.06491	1.0
109.10158	1.5
111.04371	0.3
111.08099	0.3
115.05459	0.3
116.06198	0.3
117.07020	2.1
119.04944	1.1
119.08580	4.5
121.06501	1.6
121.10139	1.7
123.04433	1.5
123.08056	0.8
125.09644	1.2
128.06198	0.5
129.07010	1.3
130.07790	0.4
131.08585	2.6
133.06506	2.6
133.10159	1.4
134.07285	0.8
135.08054	1.2
135.11685	0.9
139.03902	2.0
142.07851	0.3
143.08609	1.4
145.10136	2.5
147.04436	0.8
147.08060	3.1
147.11685	0.6
149.09578	1.0
149.13266	0.5
151.07492	0.4
157.10117	0.8
159.08038	0.4
159.11713	0.5
161.09627	1.4
162.10402	1.3
163.11221	0.9
163.14873	0.5
165.09224	0.3
171.11714	0.5
175.11179	0.7
189.11118	0.3
190.02867	0.3
212.58888	0.3
223.13286	1.2
245.19084	0.5
249.14905	2.3
262.15524	0.3
263.16516	0.3
273.18442	3.0
291.19559	100.0
292.19910	0.4
305.26828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03933	3.7
55.01867	1.6
55.05271	1.2
55.05514	17.5
57.01470	0.7
57.07069	2.9
59.04995	1.2
60.81497	0.7
65.03922	1.9
67.05509	39.7
69.03410	0.9
69.06728	1.3
69.07070	18.1
71.04987	1.0
71.08623	0.9
73.06554	0.9
77.03934	1.6
79.05497	73.2
81.07061	46.3
83.04971	1.5
83.08627	9.5
85.06538	3.2
91.05483	25.4
93.07047	100.0
95.04957	3.6
95.08611	32.1
97.06504	2.4
97.10170	3.3
98.21131	5.6
105.04554	1.3
105.07040	17.3
107.04923	1.0
107.08597	54.7
109.06498	2.3
109.09467	1.3
109.10158	16.6
111.08111	1.6
111.59299	0.8
117.07022	4.0
119.08586	12.8
121.10149	48.4
123.04420	1.3
123.08074	2.8
123.11705	4.3
125.09649	2.4
129.07016	2.6
131.08556	6.1
133.10133	15.9
135.08055	2.4
135.11699	60.5
137.09613	1.9
139.03899	3.8
139.11186	1.6
141.09077	0.9
143.08574	2.6
145.10135	5.6
147.11681	11.3
149.09605	3.2
149.13266	36.9
151.11179	1.3
157.10132	2.4
159.11700	6.7
161.13271	7.8
163.11176	3.6
163.14830	11.7
171.11620	4.0
173.13275	3.7
175.11169	1.1
175.14850	5.2
177.12772	3.2
179.14311	1.1
181.12299	1.0
185.13271	3.9
189.12747	2.4
195.13812	1.1
199.14844	2.1
203.14302	1.7
207.13777	1.1
209.15352	2.5
213.16357	2.3
217.19511	1.3
221.15393	1.6
231.17401	1.6
231.21008	1.9
235.16940	2.3
241.19519	5.4
249.18506	3.1
259.20621	9.6
274.10657	0.8
291.19971	3.0
291.23187	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03942	7.1
55.05513	21.1
57.07081	1.3
59.04976	2.0
65.03963	1.5
67.05503	32.3
69.03418	1.3
69.07065	14.2
70.84361	1.4
70.84686	1.7
71.04988	1.6
72.08887	1.3
73.06538	1.9
79.05492	69.0
81.03407	2.8
81.06590	2.3
81.07059	43.3
83.04942	2.1
83.08625	9.9
85.06571	2.7
91.05480	27.8
93.07042	100.0
95.04980	5.9
95.08065	2.0
95.08610	29.1
96.06239	1.2
97.06534	1.5
97.10143	3.9
105.07026	17.5
107.08593	52.0
109.06514	2.2
109.10162	14.8
111.08077	2.4
117.06984	3.5
119.08578	13.0
121.10146	43.5
123.04418	2.6
123.08044	2.9
123.11715	4.3
125.09605	1.7
127.83224	1.3
129.06946	2.3
131.08563	6.3
133.10133	13.4
134.26622	1.2
135.08055	3.3
135.11688	45.9
137.09563	1.8
139.03896	3.3
143.08598	1.9
145.10110	4.0
145.48767	1.2
147.11710	9.4
149.09586	2.2
149.13257	28.3
151.11227	1.6
157.10100	2.0
159.11694	4.8
160.36781	1.1
161.09554	1.7
161.13266	7.0
163.11185	2.2
163.14833	9.0
165.12756	2.2
165.44374	1.2
170.86278	1.1
171.11694	3.5
173.13248	4.0
174.83868	1.2
175.11142	1.5
175.14815	5.4
177.12756	2.8
185.13261	3.4
189.12793	1.3
199.14861	2.2
203.14299	1.2
209.15251	1.5
213.16261	2.6
217.19446	1.6
221.15230	1.2
223.48709	1.2
235.16930	2.6
241.19472	4.2
249.18486	2.5
259.20609	9.0
273.18646	1.3
291.19772	4.1
291.23160	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.34815	0.6
51.02393	0.7
53.03945	1.3
55.01863	1.3
55.05514	6.0
56.96565	0.9
57.03421	1.1
57.07070	3.6
59.04995	2.5
66.92262	0.6
67.05502	7.6
69.03435	3.1
69.07058	4.7
69.26658	4.7
69.27064	1.1
71.04992	3.3
74.25121	0.6
77.03931	0.9
79.05489	9.1
81.03408	2.0
81.07053	10.9
83.04972	2.6
83.08619	4.3
84.51715	0.6
84.96042	1.0
85.02930	0.9
85.06538	3.5
87.04466	1.1
91.05477	6.8
93.07046	14.7
95.04964	5.7
95.08601	16.4
97.06532	5.3
97.10159	1.0
98.97022	0.6
98.97564	3.2
99.04448	0.7
105.07034	11.5
107.04953	7.9
107.08591	11.5
107.38814	0.5
109.02882	0.6
109.06514	10.5
109.07180	1.1
109.10162	5.5
111.04450	0.9
111.08079	29.0
113.06033	0.7
113.09649	1.4
113.14425	0.6
116.98584	1.1
117.07031	2.8
119.04896	0.9
119.08578	11.0
121.06507	2.8
121.10149	7.9
122.07292	2.2
123.04467	5.1
123.08064	35.7
123.11699	1.6
125.09623	1.9
127.03935	1.4
129.06998	2.1
130.07797	1.2
131.08588	7.1
133.06508	3.8
133.10121	9.5
135.08051	7.8
135.11681	4.7
137.09627	6.9
139.03911	5.1
139.07539	0.7
141.05489	1.0
142.07759	1.9
143.08533	3.3
144.09349	0.9
145.10127	16.1
147.04411	6.3
147.08043	4.1
147.11681	8.4
149.09608	4.9
149.13245	1.8
151.07541	100.0
153.09070	1.5
154.07726	0.6
155.08586	0.9
155.10649	2.2
156.09375	1.9
156.22891	0.7
157.10127	6.3
158.10890	0.9
158.99606	0.7
159.08089	2.4
159.11693	5.2
161.09627	5.4
161.13260	2.8
163.11119	3.3
165.05501	1.0
165.09122	1.7
167.10712	0.6
169.10127	1.6
169.12270	0.7
171.11679	4.7
173.09578	1.4
173.13269	5.7
174.10382	1.4
175.11218	4.2
177.09106	1.5
177.12746	2.8
179.10635	5.4
181.12222	1.6
182.10870	0.9
183.11710	0.8
185.13277	1.7
187.11137	3.9
187.14821	2.6
189.12744	25.8
191.10597	1.2
191.14304	6.7
192.11455	4.9
195.11775	1.0
197.11723	17.3
197.13283	2.1
203.14302	2.9
207.13799	63.2
211.14851	0.9
213.16304	3.6
215.14305	6.9
217.12196	2.6
228.58618	0.6
229.15860	1.0
229.23508	0.7
231.17418	3.0
233.15376	22.4
235.13292	2.1
237.16370	0.9
245.18979	0.8
249.18439	1.0
255.17375	3.2
273.18512	12.2
291.08649	1.1
291.19531	65.3
291.26971	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03943	1.6
55.01845	2.2
55.05514	9.9
56.96560	1.8
57.03427	2.6
57.07063	3.0
59.04988	3.6
65.03928	1.5
67.05229	0.8
67.05502	7.9
69.03411	3.0
69.07063	3.1
70.71806	1.9
71.04990	4.1
79.05076	0.9
79.05494	12.5
81.03411	1.2
81.07063	11.8
83.04997	3.9
83.08613	8.8
85.02885	1.6
85.06525	2.9
91.05488	7.8
93.06485	1.1
93.07047	16.3
95.04971	7.0
95.08611	18.9
97.06519	6.7
98.97600	3.8
99.04461	1.3
103.05465	1.4
105.03380	5.0
105.07031	11.7
105.87315	0.7
107.04955	15.6
107.08597	11.5
109.06522	11.9
109.10157	4.1
110.97531	1.0
111.04472	1.1
111.08084	38.4
113.09638	2.3
116.98613	1.7
117.06988	2.6
119.04916	1.1
119.08585	10.0
121.06493	2.4
121.10133	8.5
122.07278	1.6
123.04424	5.8
123.08069	35.4
123.11701	1.5
125.09573	4.3
128.98613	0.8
129.06956	2.3
131.08554	7.9
133.06442	4.0
133.10135	8.0
135.08058	7.1
135.11693	3.5
137.09612	3.8
139.03900	7.1
141.56978	0.8
142.07765	1.7
143.08527	2.9
145.10146	7.4
147.04385	4.1
147.08064	3.7
147.11707	7.6
149.09605	8.1
149.13161	1.3
151.07547	100.0
153.09131	1.3
155.08585	1.3
155.10645	3.4
156.09309	1.0
157.10106	6.4
159.08067	1.6
159.11700	2.1
161.09612	4.9
161.13316	1.2
163.11150	3.0
165.05519	1.0
165.09087	1.7
169.10143	1.2
171.11710	4.1
173.09610	2.0
173.13257	7.0
174.10324	1.2
175.11211	4.7
177.09099	2.9
179.10701	6.2
181.12253	1.7
189.11093	1.6
189.12749	24.3
191.10649	0.9
191.14296	15.6
192.11427	3.8
197.11728	15.1
197.13301	2.3
205.12170	1.2
207.13811	62.4
211.13214	2.0
212.13019	1.0
213.16425	2.3
215.14297	3.3
217.12244	3.7
217.15823	1.6
231.17397	2.2
233.15375	47.6
235.13269	1.8
249.18477	1.9
255.17474	2.5
269.10580	1.5
273.18472	11.2
291.19537	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03930	5.7
55.01875	16.2
55.05275	3.2
55.05521	47.1
57.03419	6.1
57.21929	2.1
59.04947	2.2
63.06178	2.1
65.03927	3.5
67.05511	35.3
69.03446	11.0
69.07080	12.1
69.46283	2.0
70.12463	8.4
71.04957	4.0
75.49071	2.1
79.05075	4.0
79.05499	58.4
81.03399	6.7
81.07061	58.9
83.04993	17.0
83.08620	17.7
83.16034	2.2
85.06534	3.1
85.41643	2.2
86.78056	2.4
91.05491	64.0
93.07053	32.4
95.04986	15.7
95.08606	19.5
97.06534	3.8
97.09620	2.9
97.10176	21.9
102.03358	2.3
103.05524	3.4
105.03402	5.2
105.04475	3.1
105.07029	27.8
107.04969	23.3
107.08613	23.9
109.06496	5.5
109.10196	12.4
111.08078	3.4
115.05446	3.1
117.07030	33.3
119.04948	4.6
119.08587	79.7
121.06529	20.2
121.10128	10.1
123.04425	4.8
123.08057	8.5
125.09644	19.0
128.06177	2.7
129.07030	11.6
130.07773	3.7
131.08594	33.7
132.05696	4.3
133.06500	7.4
133.10129	9.9
135.07124	3.1
135.08078	36.1
135.11707	3.3
139.03911	6.8
143.08574	16.0
145.10149	27.3
147.08066	44.7
147.09203	2.6
147.11714	3.9
149.09639	6.5
150.80733	2.3
151.07553	2.8
153.09134	2.9
157.06549	2.4
157.10121	9.6
159.08096	3.0
159.11713	10.8
161.09605	7.8
163.11182	3.0
169.10135	3.1
171.10223	5.1
171.11696	6.3
175.11174	5.9
185.09627	3.0
185.13234	5.3
189.11252	12.9
193.12274	4.0
207.13742	2.6
213.12764	2.5
227.18066	4.6
230.74042	2.2
237.16377	3.6
245.19011	7.2
249.14880	8.1
255.17461	8.3
273.18506	100.0
291.19565	92.1
291.22861	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02374	1.4
53.03934	4.1
54.19819	0.9
54.70129	1.0
55.01676	0.9
55.01874	10.2
55.05265	1.1
55.05513	15.0
56.96560	2.3
57.03414	2.2
57.07059	1.9
58.43478	0.7
65.03928	2.1
67.05177	1.7
67.05506	22.5
68.99766	0.9
69.03436	13.1
69.07075	9.0
69.19609	1.1
69.91209	3.4
71.04973	3.0
77.03909	1.1
79.05494	23.4
81.03428	7.9
81.07059	23.4
83.04980	16.3
83.08607	4.1
85.02914	1.0
85.06536	2.3
91.05482	30.7
93.06477	1.7
93.07047	34.2
95.04966	14.2
95.08607	15.5
97.06505	2.6
97.10149	1.4
99.08059	1.1
103.05469	3.1
105.03385	1.0
105.04500	1.8
105.07037	22.6
107.04958	100.0
107.08599	13.9
109.06494	4.6
109.10155	14.4
111.04388	2.6
111.08056	3.1
114.00214	1.0
115.05493	2.4
116.06236	1.1
117.07021	8.6
117.45100	0.9
119.04956	2.8
119.08584	12.0
120.05678	1.4
121.06506	33.8
121.10121	5.9
122.58937	1.1
123.04427	14.3
123.08053	3.6
123.11668	2.3
125.05953	1.1
125.09566	1.4
128.06213	2.0
129.07007	5.7
131.08577	16.5
133.06479	4.2
133.10133	15.4
135.08058	54.7
135.11694	2.5
137.09570	1.4
139.03906	24.3
142.07787	1.7
143.08545	6.3
145.10112	11.7
147.04401	4.1
147.08034	6.2
147.11685	7.5
149.09628	15.7
149.13239	1.2
151.07518	3.3
151.11156	7.2
157.10095	4.0
159.08052	1.7
159.11670	3.3
161.06020	1.8
161.09581	4.6
161.13245	4.4
163.07558	5.0
163.11174	2.5
165.05504	4.1
165.12814	1.2
169.12268	1.2
171.11658	4.6
173.09566	1.2
173.13243	2.2
175.11182	3.8
175.14868	1.8
177.12776	1.0
179.07033	1.0
179.10693	1.8
185.13274	3.5
189.12730	3.2
195.11647	1.2
199.14810	1.3
227.17958	3.3
235.13332	1.6
237.16475	1.3
245.19106	5.7
245.81131	1.0
249.14880	5.5
255.17456	1.9
270.74326	1.0
273.18494	29.1
291.08487	2.2
291.19540	91.3
301.20175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03942	5.8
55.01860	10.2
55.05515	30.7
56.96542	3.4
57.03440	100.0
57.07057	5.0
58.03367	2.6
59.05000	5.5
65.03944	4.4
67.05509	85.8
69.03414	5.2
69.07065	19.4
70.97729	5.2
71.04998	6.1
73.06588	2.7
79.05498	57.7
79.05939	2.0
81.03429	5.2
81.05415	3.0
81.07056	60.3
83.04969	7.3
83.08631	16.1
85.06555	28.8
91.05486	98.0
93.07053	51.3
95.04955	11.1
95.08606	32.5
97.06522	8.1
97.10181	3.5
98.97562	4.6
103.05463	2.9
105.06425	3.6
105.07048	58.9
107.04977	18.9
107.08599	30.9
109.06516	49.7
109.10152	12.7
111.08064	7.2
113.05976	3.5
115.05454	6.6
116.06211	4.8
117.06237	4.4
117.07025	57.1
119.08582	35.7
121.06509	11.6
121.10130	13.6
123.04422	10.4
123.08042	7.0
123.11769	3.8
128.06223	3.9
129.07008	27.4
130.07823	7.0
131.08578	42.9
133.06485	6.6
133.10141	21.1
135.08055	33.9
135.11679	7.6
135.85884	3.0
137.09618	8.7
139.03911	22.2
141.06981	6.3
142.07820	3.6
143.08571	18.1
145.06506	3.9
145.10120	44.3
147.04402	10.2
147.08063	36.9
147.11681	8.6
149.09621	12.7
149.13231	7.1
151.07445	3.6
151.11183	7.0
155.08533	7.7
157.10136	28.3
159.11716	18.2
161.09628	18.0
161.13167	3.2
163.11250	3.6
169.10130	3.8
171.11676	14.5
173.13269	10.0
175.11191	13.9
177.12794	4.3
179.10699	3.7
181.10173	3.3
183.11737	9.9
185.13216	3.9
189.12741	3.4
195.11752	4.1
199.14867	18.3
201.12750	12.1
207.06442	3.9
207.13788	4.6
217.15900	56.1
219.13756	8.0
227.18088	3.8
233.15363	3.9
237.16348	6.3
255.17471	13.5
262.13629	3.1
273.18488	71.2
291.19525	49.3
291.22864	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1263
Annotation	Carbinoxamine
Peak:m/z	Relative Intensity
51.02390	0.5
53.03950	2.1
55.01868	0.4
55.05519	2.2
57.07076	2.6
59.05014	0.5
63.38361	0.3
65.03935	0.7
67.05502	2.5
69.03435	6.1
69.07073	2.6
69.53909	2.0
71.05009	0.6
77.03935	0.9
79.05497	20.2
81.03414	1.6
81.07062	2.7
83.05011	0.4
83.08629	0.4
85.02876	0.3
89.52450	0.3
91.05489	13.0
93.07052	48.5
95.04986	1.7
95.08610	2.2
97.02905	0.5
97.06554	0.8
98.97604	0.6
99.04461	0.7
105.04560	0.7
105.07032	4.2
107.08602	44.6
108.09375	1.2
109.02885	0.7
109.06535	1.2
109.10160	3.4
111.08079	0.6
111.58958	0.3
117.06984	0.5
119.04960	5.7
119.06081	0.7
119.08588	3.4
120.09354	0.7
120.99557	0.4
121.10155	10.6
123.04446	2.0
123.08069	0.5
123.11662	0.6
127.03924	2.3
131.08612	0.3
133.10115	0.8
135.11702	100.0
136.12483	10.4
137.09619	0.7
139.03944	2.5
145.10126	0.5
147.04419	30.1
151.07504	0.4
153.12793	0.6
159.11725	0.3
163.11198	0.3
165.05473	0.5
181.67911	0.3
193.15869	1.0
207.13814	0.5
231.08058	0.5
233.15289	0.4
272.99503	0.3
273.11569	3.0
291.08450	2.5
291.12744	5.2
291.16043	0.5
291.19562	1.0
291.22678	0.3
303.20673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55471	0.6
53.03944	1.4
55.01626	0.9
55.01875	9.6
55.05512	3.0
56.96561	3.3
57.03424	2.8
59.04990	2.5
61.02918	2.3
65.03938	0.9
67.05523	2.9
68.99780	2.0
69.03146	0.6
69.03436	7.3
69.07073	4.0
69.68453	0.7
71.04997	20.7
71.53672	0.9
73.02924	1.4
74.00683	0.6
76.46138	0.5
79.05498	4.0
81.03427	4.1
81.07043	3.1
83.04971	2.3
83.08623	10.8
85.02907	19.6
85.06541	0.8
87.04462	0.8
91.05487	3.7
92.67088	0.5
93.03420	1.7
93.07043	4.3
95.04973	6.2
95.08596	2.2
97.02885	6.4
97.06523	0.8
98.97588	5.3
98.98429	0.8
99.04461	1.7
103.03938	1.0
105.03354	1.1
105.07011	1.9
107.04964	5.5
107.08591	1.4
107.32361	0.6
109.02892	2.6
109.06510	0.8
109.10120	0.8
110.77349	0.5
110.97575	1.1
111.04446	3.7
111.08088	20.7
113.09603	0.8
115.05437	1.7
116.98611	2.2
117.07043	0.7
118.15557	0.6
119.04951	6.9
121.02852	0.9
121.06490	0.8
121.10158	1.5
123.04432	66.7
123.08047	1.2
127.03920	4.7
128.55151	0.6
128.98724	0.7
129.05470	3.9
129.09119	23.8
131.00160	0.7
131.04915	0.8
131.82294	0.6
132.95834	1.4
133.06500	1.9
135.04411	1.3
135.11682	1.9
137.02377	1.1
137.06004	2.0
139.03906	100.0
143.04926	2.5
145.04950	3.9
145.06503	0.9
147.04416	22.9
147.08032	0.8
147.11600	0.7
151.03920	2.5
151.07578	1.8
153.05466	1.2
153.09052	1.2
153.12785	0.9
157.06493	0.7
158.99632	1.2
161.04761	1.2
161.05986	8.0
163.03932	2.4
165.04176	1.2
165.05493	14.8
169.04971	1.5
175.07532	0.9
177.00751	0.9
179.07036	2.9
181.05055	0.9
181.94749	0.6
189.05531	2.2
202.96674	0.7
203.07030	1.0
207.06551	6.8
210.56349	0.9
223.02806	0.9
237.02696	1.0
238.07953	0.6
268.00620	1.0
273.07593	1.8
291.04657	1.9
291.08615	8.9
291.13290	2.4
291.19659	2.0
291.23309	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05490	0.5
65.03937	1.1
67.05507	1.3
68.99800	1.6
70.57966	0.8
70.58334	0.7
83.04980	1.3
85.02899	0.3
91.05480	1.5
93.03400	1.1
95.04960	2.4
97.02893	0.5
105.03351	0.4
105.06992	0.5
107.04943	0.8
111.00781	0.6
111.04450	2.3
115.05448	1.1
119.04946	6.1
123.04436	61.6
124.04768	0.4
127.03933	1.3
131.04961	0.5
133.06505	0.8
135.04436	0.7
137.02333	0.8
137.05971	0.8
139.03909	100.0
140.04245	0.4
143.04926	1.9
147.04416	22.9
151.03923	2.4
151.07544	0.4
153.05508	0.7
159.04405	0.4
161.05991	7.7
161.36555	0.3
163.03899	1.5
165.05492	13.5
169.04997	1.3
173.09328	0.3
177.05516	0.9
179.07063	2.7
181.04994	0.9
189.05452	2.3
203.07010	0.5
207.06535	5.8
241.15485	0.3
246.19923	0.4
249.07651	1.6
273.07620	1.4
291.08664	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	291.1262
Annotation	Carbinoxamine
Peak:m/z	Relative Intensity
51.02362	0.9
53.03948	3.7
55.01863	1.2
55.05513	4.5
57.07071	1.6
59.04982	0.8
65.03935	1.2
65.93745	0.9
67.05510	5.1
69.03416	2.0
69.07071	6.8
69.39837	4.7
69.40249	2.1
77.03899	0.9
77.52003	0.8
78.30008	0.8
79.05499	48.8
81.03416	6.2
81.07045	5.1
84.14714	0.9
91.05486	13.8
93.07052	73.9
95.04960	4.4
95.08600	3.2
96.06866	0.9
97.06515	0.9
98.97577	1.1
99.04484	0.8
105.04498	1.2
105.07021	3.0
107.08603	55.2
109.02876	2.6
109.06515	1.0
109.10170	4.6
119.04932	3.4
119.08577	1.2
120.99571	1.4
123.04420	3.8
127.03857	0.9
131.08543	0.8
133.10071	1.0
135.11700	100.0
139.03911	4.8
147.04416	17.2
150.71957	0.7
153.12741	1.3
231.08380	1.0
273.11563	8.9
291.03186	0.8
291.08350	5.6
291.12820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
53.08794	0.4
55.01864	0.4
55.05513	2.1
57.07078	2.6
59.04978	0.5
65.03944	0.6
66.33379	0.4
67.05492	1.7
69.03430	0.8
69.07053	2.8
69.54094	0.4
70.18228	0.8
70.18618	0.7
77.03917	0.7
79.05496	21.2
81.03406	1.7
81.07085	2.1
81.07491	0.4
91.05483	9.8
93.07047	45.9
95.04970	1.8
95.08580	2.2
97.06541	1.1
98.97575	0.5
105.04496	0.8
105.07035	3.7
107.08598	44.1
108.61320	0.4
109.02942	0.5
109.06524	1.3
109.10173	2.8
115.21056	0.4
119.04977	0.6
119.06032	0.8
119.08566	2.5
120.09348	0.5
121.10145	2.2
123.04414	1.0
132.20172	0.5
135.11696	100.0
136.12502	2.5
136.13368	0.4
139.03915	1.2
147.04436	3.6
153.12762	1.4
248.08150	0.5
273.11621	3.0
289.04172	0.4
291.09708	1.3
291.12796	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	291.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
53.62084	0.5
55.01874	0.5
55.05514	3.4
56.96561	0.6
57.07084	2.3
59.05011	1.2
63.62644	0.5
65.03942	0.8
65.91816	0.5
67.05510	5.3
69.03431	2.0
69.07072	6.5
71.54772	0.7
75.38667	0.5
77.03916	0.9
79.05498	47.1
81.03424	5.0
81.07054	5.4
83.08630	0.7
85.02896	0.8
91.05486	13.8
93.07050	78.8
95.04974	3.1
95.08615	3.0
97.06525	1.8
98.97588	1.1
105.04508	1.2
105.07037	4.3
107.08600	58.6
109.02887	1.5
109.06529	1.6
109.10161	5.0
119.04959	2.9
119.06038	0.8
119.08583	0.8
120.99554	0.9
123.04437	4.4
123.11687	0.6
126.09142	0.6
127.03879	0.7
133.10042	0.9
135.11699	100.0
139.03914	4.7
147.04420	12.8
147.07898	0.5
151.11304	0.5
153.12798	1.1
154.39957	0.5
161.05988	0.6
165.05472	0.9
167.62071	0.5
201.82465	0.5
203.08592	0.6
216.09209	0.5
220.08681	0.5
231.08116	0.7
246.11296	0.7
273.11548	12.2
286.64349	0.5
291.08624	3.8
291.12509	2.4
291.15671	0.6
291.19479	1.0
291.22678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01880	1.6
55.60514	0.4
56.62674	0.3
59.18438	0.3
60.11073	0.3
63.05288	0.3
65.03588	0.3
65.03944	1.1
67.01883	0.4
67.05499	1.0
68.99797	1.7
69.03396	0.4
69.84462	1.2
69.84867	0.8
77.03940	0.4
83.04997	0.9
83.38973	0.3
85.02930	0.3
91.05479	1.4
93.03357	0.9
95.04977	2.2
97.02914	0.4
105.03398	0.5
111.04469	2.3
115.05477	1.1
119.04955	5.6
121.02923	0.5
123.04433	61.5
127.03916	1.4
133.06451	0.6
135.04401	0.6
137.02364	0.9
137.05995	0.7
139.03906	100.0
140.04253	0.4
140.39977	0.3
142.93021	0.3
143.04904	2.0
147.04416	19.6
151.03922	2.6
153.05450	0.7
161.05997	8.0
161.07274	0.6
163.03925	2.1
165.05487	15.2
166.24257	0.3
169.05045	1.7
177.05498	1.0
179.07042	3.3
181.04965	0.9
189.05475	1.7
207.06526	6.7
235.52728	0.3
249.07585	1.1
273.07614	1.4
280.25879	0.3
286.15628	0.3
291.08658	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	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.6
55.05509	2.0
56.96303	3.5
56.96568	45.6
57.03435	3.3
58.76198	1.6
61.02907	6.4
67.05500	1.8
69.03435	18.0
70.06590	2.6
70.98111	2.0
71.04978	2.6
71.52942	2.5
72.51227	1.6
73.02907	4.9
74.97594	2.5
79.05488	3.5
81.03413	3.1
81.07038	3.0
83.04997	3.9
84.96025	7.7
85.02908	22.8
86.03218	2.0
87.04501	3.4
88.99113	1.7
91.05479	3.5
93.07054	3.0
95.08597	2.8
97.02895	37.1
98.48543	1.7
98.97591	100.0
99.04410	1.7
102.96876	2.3
107.08572	3.1
109.02880	3.1
110.97584	14.3
111.04436	4.4
112.99126	3.7
115.00676	4.4
116.98615	27.0
119.01930	3.4
119.04899	2.1
121.01656	2.6
121.10152	2.8
123.04420	5.2
124.99110	7.9
126.97042	2.1
127.00705	2.0
127.03909	6.6
128.98621	12.5
129.02246	4.6
129.05489	50.5
131.00168	4.5
131.01831	2.0
133.01663	2.0
134.99640	6.4
137.06032	9.4
139.03851	6.0
140.98534	2.5
141.02223	3.1
143.00185	12.5
144.98030	3.5
145.01651	2.8
145.04912	4.1
146.99637	5.4
147.03297	3.6
147.04395	6.2
149.01311	2.4
152.98621	1.9
158.99658	23.3
161.01242	11.7
161.02985	2.2
162.99190	1.9
163.02698	2.9
167.00238	2.2
170.99652	7.0
171.03281	2.7
174.99083	3.2
175.04437	2.5
176.99103	3.5
177.00711	17.7
177.04237	2.1
179.54840	1.8
185.01251	6.7
186.99182	2.9
189.00694	8.6
189.02299	2.4
189.04330	4.6
193.00168	3.3
195.05136	2.7
200.54790	2.9
200.98785	2.0
201.00696	4.4
201.05981	4.2
203.02263	5.0
205.00183	5.6
205.03790	3.1
207.01649	2.0
208.05063	2.6
209.55415	1.8
210.06508	6.4
213.00659	2.1
217.00159	2.0
219.01732	11.6
219.05057	2.3
223.01234	3.6
223.04849	6.2
230.98256	3.0
231.01674	4.6
231.05449	2.6
237.02847	15.7
248.99184	6.4
249.02780	6.3
267.00247	4.5
267.03741	2.3
273.02979	2.2
279.04321	2.5
282.06622	2.8
291.03790	4.0
291.08011	30.7
291.19360	2.7
291.23071	3.9
309.03110	2.8
309.05035	2.9
309.08466	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.2
53.03940	0.2
55.01876	0.6
55.05517	0.7
56.96546	0.2
57.03436	0.5
57.07095	0.3
60.17742	0.1
61.02929	0.3
65.03948	0.5
67.05496	1.4
69.03431	18.2
69.07070	1.0
70.19538	0.3
70.19928	0.3
71.04996	0.3
79.05494	1.1
81.03418	1.5
81.07050	1.9
83.04982	0.2
83.08624	0.4
85.02917	0.2
85.06552	0.4
88.19226	0.1
91.05485	8.3
92.05792	0.1
93.07053	1.1
95.04966	1.1
95.08609	1.3
97.02889	1.3
97.06533	0.3
97.10161	0.2
98.20718	0.1
98.97595	0.4
99.04459	0.8
105.07030	1.3
107.04977	0.6
107.08601	1.3
109.02876	1.2
109.06526	1.3
109.10165	1.0
111.04465	0.1
111.08102	0.4
113.05992	0.4
113.09653	0.1
115.05472	0.1
117.07018	0.5
119.04945	21.3
119.08566	0.8
121.02876	0.1
121.06523	0.3
121.10159	0.9
123.04443	1.8
123.08078	0.3
123.11737	0.6
125.09705	0.2
127.03919	7.8
128.06114	0.2
129.07013	0.3
131.04953	0.4
131.08589	0.8
132.07179	0.1
133.06522	0.4
133.10149	0.6
135.08057	1.2
135.11690	0.6
137.09596	0.4
137.13235	0.3
139.03894	2.6
141.06982	0.2
143.08600	0.4
145.06403	0.3
145.10158	0.6
147.04411	100.0
147.11679	0.3
148.04779	0.4
149.09624	0.4
149.13234	0.4
151.03902	0.2
151.07535	0.2
152.23709	0.2
157.06447	0.3
157.10146	0.4
159.08020	0.2
159.11774	0.2
161.05962	0.3
161.09647	0.4
161.13220	0.2
163.11215	0.2
163.14839	0.3
165.05490	0.9
171.11635	0.2
173.06096	0.2
175.03918	0.2
175.07556	0.2
175.11171	0.2
177.05452	0.2
177.16333	0.1
185.05997	0.2
187.07523	0.1
188.07390	0.1
189.05432	0.2
195.11763	0.2
201.05450	0.2
201.12741	0.2
203.07037	0.2
207.06400	0.2
217.15906	0.5
219.13765	0.1
231.06461	0.3
233.15196	0.1
237.16261	0.2
255.17395	0.2
261.07474	0.2
261.87546	0.1
273.07590	0.2
273.18475	1.5
273.25708	0.2
291.08643	8.0
291.15686	0.5
291.19550	2.5
291.23056	0.3
291.26480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05499	1.9
56.96297	1.2
56.96562	18.3
57.03427	1.0
65.03970	0.8
67.05506	1.5
69.03424	4.1
69.07059	1.7
69.50868	4.6
70.35604	0.6
71.05006	1.4
71.87486	0.7
71.95250	1.2
74.43483	0.7
76.70203	0.6
79.05486	2.1
81.03419	4.7
81.07060	2.5
83.04964	1.1
83.08630	0.8
84.96030	3.8
85.02924	1.0
88.74302	0.7
91.05468	3.3
93.07045	3.4
95.04968	1.6
95.08610	2.2
97.02868	0.7
97.06504	0.8
98.20763	0.9
98.97584	100.0
99.04454	1.2
102.97053	0.7
105.07037	2.1
107.04987	0.7
107.08603	2.4
109.02889	2.3
109.06519	1.6
109.10157	1.9
110.97571	58.9
111.04436	0.9
112.99132	3.2
116.98622	30.2
117.07056	1.1
119.04939	5.6
119.08575	2.0
121.10145	1.8
123.04424	11.4
123.08075	0.8
123.11734	0.8
124.99088	4.9
126.97095	0.8
127.03955	1.3
128.98608	45.6
131.00175	2.1
131.08546	1.0
133.10173	1.0
134.99684	5.3
135.08070	0.8
135.11736	1.7
136.99117	1.6
137.09616	1.1
139.03902	17.4
140.00224	2.2
140.98610	2.2
143.00157	11.5
144.98109	2.0
145.10103	1.1
146.99655	13.3
147.03238	1.4
147.04410	26.1
147.08051	0.8
149.01138	0.7
149.09573	1.0
151.03928	0.8
152.00214	3.0
152.98640	2.2
153.09109	0.7
155.00125	5.1
158.99649	5.8
159.11723	0.9
161.01227	7.8
161.06006	1.7
161.09668	0.7
162.99252	0.8
163.11240	1.1
165.05464	3.1
170.99658	29.1
171.11699	0.9
173.01241	4.5
173.13275	0.7
177.00658	3.3
179.07175	0.9
182.99669	8.2
188.99020	1.2
189.00723	23.4
201.00711	8.0
207.01807	1.3
207.06552	1.4
212.02345	2.3
213.00803	1.4
219.01762	1.7
219.13931	0.7
230.99449	0.7
231.00026	0.5
231.01762	24.5
249.02826	74.6
267.03885	8.1
272.04446	6.6
273.18466	2.1
291.03851	1.1
291.08517	4.6
291.12839	2.7
291.15848	1.1
291.19705	5.3
291.23105	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.8
56.96560	13.6
57.03434	11.2
61.02916	8.6
69.03421	16.8
70.48064	5.9
70.48396	6.3
71.01369	4.2
72.08150	5.4
73.02912	17.6
74.06073	3.8
81.03424	10.1
82.06590	4.2
85.02911	39.0
87.04478	5.2
97.02895	15.2
97.73629	3.2
98.97576	38.7
99.04466	4.0
101.00887	11.7
102.00935	17.5
110.01292	10.0
110.97567	6.3
116.98554	7.6
119.01891	32.1
120.02003	31.5
127.03914	8.9
128.02313	5.5
128.04289	6.3
128.98630	5.5
131.01924	4.8
132.01947	6.7
134.03577	7.4
136.15825	3.2
137.02818	4.6
137.05968	9.5
138.03391	4.0
140.02335	3.9
143.00131	7.4
143.01912	10.3
144.02022	10.0
145.03566	3.2
145.04959	8.3
146.02286	8.0
147.04385	4.6
155.02832	11.9
158.99667	8.6
161.01271	5.4
161.02898	14.8
162.03128	10.6
170.00069	4.0
170.03448	8.2
170.99684	8.7
172.01596	4.2
173.02943	5.4
182.03418	9.0
186.19075	3.7
187.00658	4.2
188.01105	9.6
189.00757	6.8
190.02721	4.1
191.03899	42.2
192.04370	4.0
193.05618	4.5
199.56279	5.3
200.04434	100.0
200.06041	4.2
200.54549	5.7
203.04060	4.0
206.02264	4.4
207.01889	4.2
209.04887	5.1
215.00560	5.1
216.00537	15.5
218.02071	5.8
219.01747	8.7
237.02927	10.5
248.03180	20.7
249.02911	3.7
266.04102	5.0
290.06445	46.9
290.12231	7.8
291.04849	4.3
298.04532	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	290.1756
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.03296	0.5
55.05503	1.0
56.05038	2.9
56.96301	0.5
56.96565	6.7
57.07072	2.1
58.06590	1.0
65.03939	1.4
67.05173	0.8
67.05506	8.7
69.07069	3.6
70.06594	0.7
71.05024	0.7
71.54872	0.6
74.06071	1.9
76.86067	0.5
79.05508	2.8
81.07054	1.8
82.06586	3.4
83.04990	1.3
83.08617	0.8
88.07640	7.9
91.05444	0.5
93.03416	1.5
93.07056	3.3
95.08607	1.6
95.20956	0.6
96.46857	0.5
97.06533	2.3
107.08566	2.7
109.10162	0.8
110.06049	33.7
111.04438	8.7
118.08681	1.8
121.13597	0.5
122.08118	0.8
123.04434	2.1
135.11731	3.1
137.05980	3.4
138.05508	100.0
139.03905	0.8
139.05754	0.7
153.12766	0.7
163.07512	1.5
167.85936	0.5
168.13795	0.5
193.44469	0.5
200.62708	0.5
203.05823	0.6
208.10059	1.2
226.11162	22.7
228.23189	1.2
242.24794	8.8
244.12227	11.1
249.12747	0.9
267.09079	5.0
267.13776	2.3
269.61319	0.6
272.25845	0.7
285.10150	2.7
290.10672	1.0
290.17575	6.3
290.26904	25.7
290.29517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.0
55.01860	4.7
55.05505	6.7
56.15898	2.2
65.03947	3.9
67.01880	2.0
67.05500	15.0
69.03430	4.5
69.07081	14.3
69.66624	11.9
70.12159	2.4
71.04986	8.9
79.05498	16.8
81.07053	43.7
83.04993	15.7
83.08646	4.5
85.06532	8.0
91.05487	13.0
93.03385	8.4
93.07043	48.4
95.03700	2.5
95.04979	19.0
95.08606	38.2
97.05999	2.9
97.06531	28.8
99.04439	20.6
105.07030	34.3
107.04932	7.0
107.08593	28.0
109.06516	28.2
109.10119	7.9
111.04416	7.8
111.08092	19.2
113.05986	3.9
119.08591	21.4
120.52010	2.3
121.02881	17.4
121.06506	77.5
121.10105	6.3
123.04436	20.3
123.08055	4.5
123.11695	10.1
125.05996	16.4
127.07557	8.3
129.06981	5.2
131.08548	5.1
133.06523	3.1
133.10115	19.2
135.04413	34.9
135.08064	11.0
137.05946	3.5
139.03925	15.4
139.07541	23.3
143.07031	8.0
143.08514	5.9
145.10092	7.7
147.08049	3.8
147.10532	3.3
147.11690	48.5
149.02396	4.9
149.13286	2.8
151.03880	5.7
151.11189	12.7
153.01871	12.0
154.02127	4.6
157.08588	8.0
157.10114	11.9
159.06541	14.0
161.13237	8.8
163.03915	6.9
165.12772	17.5
166.07722	3.1
169.12247	22.7
171.11682	13.2
175.11172	29.0
181.10126	3.2
189.12753	20.6
193.12257	34.8
199.11214	27.5
207.13811	18.6
211.13278	30.8
217.12242	94.6
229.14342	10.7
235.13287	100.0
253.14355	49.3
259.06085	5.3
271.15427	4.9
289.06027	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.6
56.80795	4.1
56.96562	8.9
57.03437	10.4
58.06595	4.5
59.46307	4.2
60.65828	4.0
61.02920	10.2
61.39971	3.8
69.03436	13.8
73.02905	30.7
81.03417	5.2
81.04539	6.5
85.02909	27.6
95.59440	4.2
97.02866	20.9
98.97585	31.7
99.04459	6.3
101.00838	12.2
102.00973	13.2
110.01288	8.5
110.97581	10.1
116.98622	7.0
119.01871	13.2
120.02033	18.4
124.99104	4.6
127.03859	8.4
128.07037	4.3
128.64519	4.3
128.98659	7.2
130.87643	4.2
134.03522	4.5
137.06004	5.7
143.00146	7.6
143.01930	6.3
144.01984	7.0
145.04944	5.6
146.02351	7.3
152.02298	5.8
155.02811	11.1
158.99655	12.4
161.02904	15.6
162.03149	9.3
169.99893	5.1
170.99782	7.7
173.02884	5.4
174.03148	5.2
176.33485	4.8
188.01106	4.6
189.00685	4.3
191.03867	37.3
200.04420	79.2
200.06183	9.1
201.00661	7.7
209.04929	7.7
216.00618	7.8
218.02026	4.6
219.01631	9.4
220.03607	5.0
230.02190	5.3
237.02750	8.5
248.03180	12.7
290.06393	100.0
290.09641	6.8
290.12537	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.6
55.05519	0.9
57.07089	0.5
59.05018	0.8
63.35950	0.4
65.03944	0.4
67.01858	1.6
67.05515	3.6
68.02225	0.5
68.99809	1.0
69.03465	0.5
69.69897	1.6
69.70306	0.4
79.05502	2.2
81.03446	0.7
81.07068	6.6
89.03937	0.9
91.05487	17.4
93.03442	0.5
93.07046	2.3
95.04984	3.6
95.08598	2.1
97.06618	0.3
98.12289	0.4
105.07041	14.4
107.04971	0.7
107.08597	2.7
109.06535	4.3
109.10163	4.3
111.00836	0.7
111.04451	1.3
115.70256	0.3
117.03392	1.3
117.07026	0.4
119.08582	0.5
121.10162	0.9
123.04429	1.4
123.08124	0.5
123.11693	1.9
127.03903	0.6
131.08582	1.1
133.10147	4.5
135.04420	5.7
136.04744	1.3
137.02338	0.8
137.04938	0.9
139.02890	0.5
139.03928	0.9
145.02826	1.5
147.90318	0.3
149.09552	0.3
151.03932	0.7
151.11194	89.8
153.01839	26.0
154.02132	2.6
155.02290	4.0
161.02321	0.4
163.03940	10.8
171.02887	1.9
173.14694	0.3
179.03395	1.6
187.03865	0.3
187.74266	0.3
243.05565	0.7
269.21567	0.3
271.05896	0.7
271.10623	0.5
289.06082	100.0
290.06277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67711	2.3
53.03946	3.5
55.01868	6.2
55.05501	5.8
65.03932	2.9
67.05497	12.4
69.03414	4.2
69.07073	13.7
69.68998	16.0
71.04987	11.7
79.05486	15.7
81.07057	39.9
83.04978	16.8
83.08614	7.2
85.06519	5.1
91.05462	13.1
93.07036	51.7
95.04969	21.2
95.08604	36.6
97.06535	28.4
97.63301	2.4
99.04450	22.7
105.07034	33.5
107.04943	4.3
107.08583	26.9
109.06509	32.2
109.10146	6.6
111.04433	7.0
111.08094	21.4
112.12229	2.5
113.06028	6.3
114.75247	2.2
117.06997	2.7
119.08564	18.4
121.05663	4.9
121.06510	78.7
121.10091	5.5
123.04427	12.3
123.08102	4.7
123.11701	10.5
125.05962	14.7
127.03887	2.6
127.07540	5.7
131.08542	7.1
133.10153	18.3
135.04410	18.0
135.08031	12.4
137.05952	8.7
138.78082	2.4
139.03886	5.8
139.07524	24.0
141.05486	2.6
142.07686	2.6
143.07033	8.4
143.08556	7.9
145.10132	6.8
147.08040	4.0
147.11687	45.2
149.13249	3.1
151.03871	5.1
151.11182	4.7
153.01830	5.2
155.02200	3.0
156.09354	2.8
157.08583	12.4
157.10098	11.9
159.06573	14.9
161.09569	3.2
161.13246	10.3
163.03931	3.5
165.12744	11.7
166.07709	2.8
169.12274	22.1
171.11642	13.7
175.11194	32.1
181.10037	4.9
189.12721	23.1
193.12254	34.9
199.11153	25.3
207.13757	18.6
211.13245	34.5
217.12230	98.5
229.14326	13.3
231.06532	3.1
235.13280	100.0
253.14330	58.0
261.07797	2.8
271.15381	2.8
273.71375	2.8
289.06021	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
51.59827	0.2
53.03940	0.7
55.01855	0.5
56.96555	0.5
57.03432	0.2
61.02925	1.1
62.02720	0.2
69.03435	1.8
69.48914	1.3
71.04987	0.4
73.02888	0.5
73.51665	0.2
75.83750	0.2
81.03424	1.0
81.07059	0.3
85.02906	5.0
91.03942	0.4
92.46478	0.2
93.03389	0.5
93.07074	0.2
95.04960	0.3
97.02891	1.8
98.97597	0.4
99.04488	0.4
107.04993	0.3
109.02898	1.1
111.04443	0.8
111.05613	0.3
119.37607	0.2
121.10157	0.3
123.04430	1.6
127.03920	100.0
127.73746	0.2
128.04211	0.3
135.04431	2.3
139.03912	1.4
145.04985	0.9
149.02338	0.4
151.03909	0.6
163.03931	0.2
179.99591	0.2
209.82645	0.2
224.02434	0.2
231.06638	0.3
241.40639	0.2
261.07684	0.3
266.14642	0.2
271.06046	0.4
289.09021	0.7
289.12521	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
55.01877	1.3
55.05498	1.3
56.96557	1.2
65.03943	8.0
67.05491	3.3
68.99776	3.8
69.03412	3.8
69.07063	1.7
70.95274	2.6
71.04970	0.9
76.34117	1.1
79.05488	2.6
81.03429	1.9
81.07051	3.2
83.04968	1.2
85.02895	2.8
85.06538	3.7
88.79298	1.0
89.03918	3.0
91.05486	4.5
93.03393	14.0
93.07026	2.5
95.04957	4.7
95.08585	1.2
97.02889	2.9
98.97589	4.2
99.04458	1.0
103.05464	2.9
105.07018	2.9
107.04959	27.5
107.08557	2.1
109.02878	1.6
109.06535	1.1
109.10125	3.0
111.04436	27.6
116.98623	1.1
117.03403	3.4
119.04916	1.9
119.08597	1.3
121.02862	7.4
121.06508	2.9
121.10127	2.8
123.04431	58.7
127.03910	10.3
127.07540	1.6
131.04962	6.9
131.08560	1.5
135.04413	100.0
137.02370	4.5
137.05930	1.2
139.03902	49.2
141.06999	1.8
145.06526	1.3
147.04408	1.5
147.08064	1.7
147.11674	1.2
149.02344	48.3
149.06004	2.8
149.09619	3.6
150.03073	1.5
151.03903	23.3
153.01825	30.5
153.06908	1.2
157.06470	1.4
159.04436	2.0
159.11858	1.2
161.05978	1.3
163.03906	14.9
167.03400	3.2
169.06487	4.5
173.05960	2.9
175.07449	1.7
177.05573	1.1
179.03427	2.4
185.06030	3.3
187.03813	2.1
187.07574	1.4
195.02852	4.0
196.09976	4.3
197.06023	6.5
201.05281	1.8
213.05495	4.4
215.07030	40.4
225.05487	1.6
225.13991	1.8
229.05040	1.7
231.06532	10.7
235.13277	1.0
237.02846	1.4
241.04930	3.4
243.06537	49.4
253.13329	5.3
259.06003	15.2
261.07629	11.1
271.06030	23.0
271.14462	3.4
289.07043	15.9
289.11978	1.8
289.15448	12.7
289.18314	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01862	0.9
56.96565	4.9
57.03431	1.1
59.04992	0.5
61.02921	1.6
65.03933	1.0
67.05503	0.6
67.05853	0.3
68.99773	0.5
69.03423	2.6
69.07064	0.6
69.86902	1.2
70.06564	0.3
71.04980	1.2
72.08152	0.4
73.02936	0.4
74.06079	0.8
79.05483	1.0
81.03411	1.7
81.04509	0.3
81.07055	1.2
85.02908	6.3
87.04477	0.4
91.03949	0.4
91.88731	0.3
93.03405	1.2
93.07042	1.2
95.04965	0.8
95.06088	0.7
95.08560	0.4
97.02892	2.8
98.21532	0.5
98.97565	2.5
99.04423	0.8
103.05517	0.4
105.03384	0.5
105.07034	0.4
107.04961	1.2
109.02885	1.2
110.97583	0.6
111.04442	2.8
111.05561	1.2
116.98623	0.7
119.01907	0.9
119.04915	0.5
121.10159	1.0
123.04433	5.7
123.05553	1.5
127.03920	100.0
128.04268	0.5
131.04932	0.8
131.08598	0.4
135.04424	10.5
137.06000	0.5
139.02928	0.6
139.03912	6.4
139.11238	0.5
141.06578	2.0
145.04988	1.2
149.02354	0.8
149.05998	0.4
151.03902	3.0
158.99675	0.7
161.06020	0.4
163.03876	1.7
173.06123	0.3
177.00734	0.4
180.98093	1.4
198.99155	3.5
213.05621	0.4
217.00232	1.0
219.01733	0.7
221.12975	0.3
231.06664	0.5
237.02856	0.9
239.13870	0.5
242.98125	4.4
259.06009	1.9
260.99197	3.9
261.07681	1.1
266.00067	0.5
271.06293	0.4
271.16614	2.5
271.89838	0.3
289.08994	21.8
289.12604	37.5
289.17816	1.3
304.68808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
53.03950	0.3
55.01862	0.4
55.05508	0.7
56.96557	0.5
57.07067	0.4
63.02383	0.4
65.03931	1.3
67.01868	2.7
67.05501	0.8
68.99786	2.2
69.03412	1.4
69.07057	1.2
71.04993	0.4
71.07440	0.5
71.07773	0.4
78.42530	0.3
79.05486	1.1
81.03411	0.5
81.07058	1.5
83.01347	0.4
83.05006	0.4
85.02914	0.4
85.06553	0.4
89.03909	4.8
91.05475	0.7
93.03408	2.4
93.07034	1.2
95.04966	0.9
95.08607	1.0
97.02888	0.7
97.10181	0.3
98.97614	0.4
105.06979	0.3
107.04959	2.6
107.08569	0.7
109.02923	0.4
109.10162	0.6
111.00809	3.5
111.04453	3.5
117.03384	8.6
119.04906	0.4
119.08562	0.5
121.02874	0.5
121.06487	0.4
121.10126	0.5
123.03566	0.6
123.04437	9.1
123.11780	0.3
125.02343	0.3
125.41029	0.3
127.03929	1.1
129.30426	0.3
131.04932	0.6
135.04419	22.6
135.11734	0.4
137.02382	0.8
137.05995	0.4
139.03923	5.4
145.02849	12.3
145.04016	0.6
147.11775	0.3
149.02344	0.7
149.05952	0.4
151.03915	2.9
153.01833	100.0
157.06538	0.3
159.04466	1.5
161.06021	0.7
163.03909	64.6
171.02878	2.4
177.05473	0.5
179.03401	5.3
182.62488	0.3
187.03915	2.1
197.05922	0.6
201.05525	0.3
202.70947	0.3
205.04994	1.1
225.05324	0.3
231.06532	1.1
241.05023	0.3
244.08536	0.3
247.06033	0.5
253.05020	0.5
259.06009	1.1
261.07593	0.5
271.06055	2.8
279.63757	0.8
288.64270	0.9
289.07068	89.2
289.25241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.03944	0.4
55.01856	0.5
56.96561	0.3
65.03936	1.4
67.01874	3.5
67.05498	0.8
68.99786	2.2
69.03429	2.0
69.07060	0.5
71.04977	0.4
71.48323	0.4
73.81306	0.3
79.05479	1.4
81.03419	1.0
81.07056	1.1
83.01296	0.5
83.08621	0.3
84.04504	0.4
89.03915	4.9
91.05479	1.1
93.03418	2.3
93.07030	1.0
95.04992	0.7
95.08601	0.7
97.02887	1.5
98.97650	0.4
105.07050	0.9
107.04962	2.5
107.08617	0.9
111.00807	2.7
111.04446	4.4
112.02176	0.8
117.03384	7.7
119.08637	0.4
121.02866	0.6
121.10157	1.7
123.04443	8.4
127.03912	1.2
131.04930	0.7
132.83000	0.4
133.10155	0.5
135.04422	20.8
137.02367	0.7
137.05962	0.7
137.09641	0.5
139.03909	7.4
145.02858	11.5
145.04008	0.7
146.05943	0.5
147.04390	1.0
149.02376	1.2
149.05952	0.5
149.13255	1.5
151.03941	3.6
153.01836	100.0
154.02159	0.4
159.04408	1.4
161.05907	0.4
163.03914	62.3
164.06995	0.8
168.01012	0.4
171.02878	3.7
173.05942	0.4
179.03386	6.1
186.02263	0.8
186.05453	0.5
187.03951	2.6
191.14293	0.7
192.18822	0.3
205.04988	1.8
225.09962	0.3
229.05101	0.6
231.06514	1.1
243.04332	0.9
247.06070	0.9
253.04944	0.6
259.06027	1.6
261.07678	0.7
271.06064	2.4
279.63654	0.4
289.07080	92.9
290.07263	0.7
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
56.96586	4.7
57.03449	9.5
61.02927	10.2
62.40940	4.4
69.03430	18.6
69.44127	31.2
71.06318	4.6
73.02931	11.0
76.10376	5.5
79.96030	4.6
80.14014	4.1
81.03423	5.9
81.04575	11.6
81.77625	4.8
82.99855	12.2
84.40701	4.7
85.02912	35.3
87.04468	4.9
97.01402	10.5
97.02883	21.6
98.20798	9.7
98.97589	13.9
99.27087	5.1
101.00893	78.0
113.00861	12.7
114.02596	5.0
115.02422	32.4
119.01918	100.0
123.04480	5.4
123.79315	4.7
127.03934	32.7
127.05045	18.4
127.08659	11.0
129.03989	9.0
131.01935	26.8
133.03441	32.4
135.04401	9.4
137.02948	6.0
139.02354	4.9
143.01918	39.7
145.01669	6.6
145.03450	10.8
145.04927	5.6
147.05081	6.0
153.70071	5.2
157.03487	7.2
161.02972	48.2
168.99849	19.9
171.01387	9.4
171.14850	5.5
173.02962	19.7
174.03185	5.8
177.04210	10.5
178.35518	5.1
183.05014	8.8
185.02983	5.5
186.04639	9.3
187.00883	39.6
189.02394	9.1
190.05902	6.6
191.04051	15.5
196.99303	10.0
198.04625	6.6
198.55618	7.0
199.00739	8.7
199.06125	5.9
200.04492	6.2
203.04068	11.7
205.01982	9.2
215.00377	50.2
217.01961	14.1
219.03514	6.9
221.04994	8.1
229.01942	15.2
247.03032	57.0
265.04077	7.8
289.03806	5.0
289.06500	83.1
295.07138	5.1
299.54224	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.03936	2.6
55.01874	1.6
55.05504	1.7
56.96561	0.9
58.61942	0.8
65.03939	7.3
65.52225	0.8
67.05511	4.2
67.17729	0.8
68.05863	0.8
68.99786	3.0
69.03426	2.4
69.07063	2.2
70.06583	1.0
71.04994	2.0
71.56403	1.4
78.95289	0.8
79.05502	4.5
81.03432	4.0
81.07056	5.1
83.04962	1.4
85.02913	2.8
85.06530	2.7
89.03911	3.6
91.05461	2.8
93.03403	11.9
93.07041	3.7
95.04988	6.3
95.08601	2.2
97.02905	1.9
97.06526	2.2
98.45760	0.8
98.97587	2.8
99.04470	1.8
105.03395	1.8
105.07020	2.9
107.04967	9.0
107.08610	1.9
109.02937	1.6
109.06508	2.2
109.10172	1.4
111.00805	1.8
111.04449	29.3
116.98613	0.9
117.03393	4.6
117.06990	1.1
121.02864	3.4
121.06538	1.0
121.10162	3.1
123.04436	100.0
123.11758	1.1
124.07565	1.1
127.03925	9.0
129.07048	1.1
131.04959	4.1
133.06482	0.9
133.10130	1.7
135.04427	90.2
135.27351	0.8
136.05107	1.0
137.02318	2.9
137.06027	1.3
139.03912	53.0
141.07040	1.9
145.02777	1.7
145.03917	1.0
149.02359	19.3
149.05994	2.8
149.09607	1.2
150.03137	1.9
151.03920	26.0
151.11203	6.3
153.01825	3.8
157.06461	1.8
157.12206	1.5
159.04413	2.3
163.03915	22.3
167.03467	1.7
167.10674	1.7
169.06467	1.8
171.02943	1.3
173.06042	2.5
175.07614	1.0
177.05481	1.8
179.03337	1.9
185.06081	2.1
187.03951	2.2
197.06012	3.3
201.05592	1.9
205.04982	2.4
211.08698	1.5
213.05487	3.4
215.07048	9.8
225.05470	2.1
229.04820	1.1
231.06541	10.1
241.04973	2.6
243.06541	14.7
245.04449	6.6
258.05292	1.1
259.06058	14.3
261.07660	9.8
271.06030	8.7
271.10657	0.9
271.14130	0.9
289.07132	18.5
289.11832	7.4
289.18085	1.0
289.21603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.5
66.20996	0.3
69.03429	0.4
71.35000	0.4
72.82832	0.3
73.02899	0.3
79.05507	0.3
82.39478	0.3
85.02901	0.5
97.02879	0.5
98.97566	1.2
107.04927	0.3
111.27142	0.3
114.68884	0.3
124.07559	0.4
125.07103	0.8
125.07957	0.5
127.03923	0.3
163.03931	1.0
191.03909	0.4
287.05634	2.9
287.11017	100.0
288.11395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2218
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
55.01860	2.5
55.05270	0.9
55.05513	12.0
56.96552	1.3
57.03444	1.4
57.07076	1.1
59.04998	1.2
67.01862	1.1
67.05508	18.4
68.99435	0.5
68.99783	2.7
69.03423	1.0
69.07069	13.2
70.30792	1.9
71.05010	3.1
73.06581	0.8
74.94805	0.6
78.18363	0.6
79.05497	10.5
81.03426	0.7
81.07059	26.8
83.04982	2.7
83.08623	8.5
85.02892	0.9
85.06551	2.0
88.25754	0.5
91.05480	5.1
93.06479	0.9
93.07050	15.5
95.04959	1.2
95.08611	30.8
97.02885	0.8
97.06538	4.9
97.10174	4.9
98.97570	2.2
98.98444	0.8
99.04472	0.6
99.08116	1.2
104.91467	0.6
105.07054	4.2
107.04933	1.8
107.08591	8.3
109.02871	0.6
109.06520	0.6
109.10165	17.3
111.08060	2.2
111.11715	1.8
116.98595	0.8
117.06995	1.1
119.08581	4.5
120.88459	0.6
121.10155	11.9
123.08051	1.9
123.11736	5.3
125.09628	1.6
131.04919	0.7
131.08575	3.4
133.10135	6.4
135.04407	4.2
135.11685	3.8
137.02327	1.2
137.09621	2.3
137.13278	1.4
139.11205	4.3
143.08537	0.9
145.10115	4.3
147.04405	1.3
147.08107	0.6
147.11671	1.9
149.05960	0.6
149.09605	1.1
149.13303	2.9
151.11201	1.6
153.01822	9.2
157.10136	1.1
159.11681	2.7
161.02315	1.2
161.13286	1.0
163.11180	0.8
163.14851	0.8
165.12746	0.8
167.10741	0.6
169.12274	1.1
171.01385	1.2
173.13271	2.5
177.12730	0.7
187.13280	1.4
187.14793	0.7
191.17918	0.9
195.13809	1.0
199.04033	1.1
201.14903	1.0
203.12746	2.1
209.15395	0.8
213.05542	1.3
213.16351	0.8
215.17996	6.5
217.05066	0.9
219.06554	0.8
227.11053	0.6
233.19006	10.4
241.04961	1.3
251.20073	48.7
258.97845	0.6
269.04431	0.8
269.21100	14.3
287.05508	100.0
287.16339	1.5
287.20084	1.3
287.23724	3.3
288.05679	1.1
300.05920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01856	3.3
56.47915	1.1
56.96568	6.8
57.03447	6.4
58.99828	1.5
61.02931	11.7
68.98294	1.5
69.03430	12.6
69.63187	5.5
70.98126	1.6
70.99847	3.9
71.01317	1.5
71.05000	3.4
73.02925	9.7
75.34466	1.1
77.00863	1.5
81.03423	6.1
81.04528	2.5
82.99822	9.6
83.04983	1.3
85.02431	2.2
85.02908	25.7
86.03226	2.3
87.04473	3.4
91.03949	1.6
91.05454	1.2
93.03386	3.0
95.04964	1.8
97.01415	8.6
97.02896	14.0
98.03162	1.4
98.21483	2.3
98.97582	18.5
99.04446	2.7
99.97118	1.2
101.00886	78.5
102.96888	1.4
103.00629	1.4
103.02404	2.2
104.95651	1.1
105.02172	1.5
107.29671	1.5
109.02888	2.9
110.01274	1.8
110.97578	5.9
111.04415	6.1
112.99117	2.9
113.00883	9.4
115.02437	31.5
116.98623	4.5
117.02130	1.2
117.04014	2.4
119.01924	100.0
123.04432	9.5
124.02468	1.3
126.98775	3.5
127.02445	2.5
127.03935	27.7
127.05006	4.5
128.02295	1.8
128.04236	1.7
128.98610	4.3
129.03964	11.3
131.00163	2.5
131.01898	17.7
133.03479	30.6
135.03304	2.5
135.04346	14.5
137.03000	10.6
137.05980	3.1
139.03926	10.0
140.02322	1.9
142.03513	1.8
143.00200	2.1
143.01904	25.8
144.01990	1.6
144.99803	4.6
145.01631	3.0
145.03455	7.5
145.04935	3.7
146.99634	2.9
147.01404	2.3
147.05061	9.4
149.03003	3.0
151.03900	4.2
155.01877	4.5
155.02943	1.6
157.01671	1.6
157.03481	5.3
158.99698	3.9
159.01315	2.3
159.05084	1.3
161.01483	2.1
161.02960	44.0
163.02675	1.9
163.04135	2.7
167.07014	2.5
168.99857	16.8
171.01401	10.8
171.05025	1.6
171.86760	1.5
172.99435	1.2
173.02943	15.2
174.03104	2.2
174.99174	1.6
175.00934	1.6
175.02740	1.8
175.04507	3.1
177.00917	1.5
177.02446	3.3
177.04141	10.3
179.02190	2.8
179.03928	2.1
182.03342	1.4
183.05022	2.8
184.04886	2.6
185.02948	4.7
186.04671	8.4
187.00890	34.4
187.04456	3.5
189.00775	2.3
189.02441	12.2
191.04024	8.3
193.03773	2.3
193.05492	3.3
196.99326	9.2
198.55627	3.7
199.00912	9.6
199.03517	1.7
199.05296	3.8
199.55571	1.4
200.04488	1.5
200.54626	1.3
201.00803	1.9
201.02448	5.1
203.04024	4.5
204.04317	1.4
205.01935	13.0
207.03535	3.0
207.05302	1.4
208.02281	1.6
208.04123	3.0
208.05937	3.8
215.00388	46.1
217.01976	17.9
219.01666	2.6
219.03503	11.0
221.05031	4.2
227.04143	1.7
229.00139	2.4
229.02031	15.3
231.03490	2.7
231.06721	1.5
233.01497	6.0
234.05331	1.7
237.02684	1.6
241.05460	1.5
242.98164	2.0
243.01886	1.5
247.03044	47.5
259.06302	3.9
261.02817	1.6
265.04108	7.3
280.06326	3.8
289.03964	10.4
289.07278	6.9
294.07428	1.5
295.06894	1.4
307.05066	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.50939	0.1
67.01866	1.4
68.99787	0.8
69.90359	0.1
70.66349	0.2
70.66688	0.1
79.05476	0.2
89.03912	0.4
89.48264	0.1
100.56184	0.1
107.04952	0.2
111.00787	0.2
111.04485	0.2
117.03402	0.7
125.02335	0.1
129.01775	0.1
135.04420	3.5
137.02341	0.9
139.05424	0.1
147.04413	0.1
153.01834	9.3
157.06464	0.1
161.02350	1.0
171.02921	0.4
179.03410	0.5
185.05966	0.3
191.95903	0.1
195.04474	0.2
203.03447	0.1
213.05434	0.4
219.06473	0.2
231.06367	0.1
241.04965	1.2
245.04451	0.3
259.06067	0.2
269.04559	0.6
287.05499	100.0
288.05753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.1
56.96585	0.1
57.00677	0.1
67.01868	1.5
67.05493	0.2
68.99799	1.1
69.03455	0.1
69.07053	0.3
71.04977	0.3
71.35896	0.1
79.05500	0.4
81.03421	0.2
81.07047	0.4
83.08610	0.1
85.06538	0.2
89.03920	0.6
91.05458	0.3
93.07052	0.3
95.04957	0.1
95.08594	0.3
97.06505	0.1
98.97561	0.1
103.57740	0.1
105.07021	0.2
107.04961	0.4
107.08604	0.2
109.02892	0.4
109.10137	0.1
111.00803	0.2
111.04450	0.1
117.03391	0.6
119.08567	0.2
120.08077	0.1
121.10197	0.1
125.02303	0.1
125.05975	0.1
127.03897	0.1
129.01822	0.2
129.06996	0.1
131.04903	0.1
131.08601	0.2
133.10109	0.1
135.04428	3.9
135.11726	0.2
137.02357	1.1
139.05441	0.1
145.10040	0.1
147.04405	0.1
147.08051	0.1
153.01840	9.9
155.20241	0.1
157.06483	0.3
159.11615	0.1
161.02325	1.1
171.01616	0.1
171.02911	0.6
171.04427	0.2
171.73050	0.1
173.05925	0.1
173.13162	0.1
175.03928	0.1
179.03418	0.4
185.06026	0.3
191.07011	0.2
199.03935	0.2
199.07484	0.1
201.05510	0.1
203.03389	0.4
213.05499	0.5
217.04945	0.1
219.06532	0.2
227.03258	0.1
231.06509	0.2
241.04979	1.2
244.03529	0.1
245.04472	0.3
259.05978	0.2
263.05576	0.1
269.04471	0.8
286.04471	0.1
287.05511	100.0
288.05872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80511	0.0
55.05499	0.1
67.01867	1.3
67.05522	0.1
68.99441	0.1
68.99796	1.2
69.00164	0.1
69.03434	0.1
70.11981	0.1
70.12392	0.1
79.05491	0.3
81.03431	0.1
81.07053	0.1
83.04980	0.0
85.02885	0.1
89.03918	0.5
93.07055	0.1
95.08606	0.1
97.02914	0.1
98.97611	0.1
99.44678	0.0
105.07032	0.1
107.04980	0.3
109.02892	0.1
111.00832	0.2
111.04446	0.1
115.05421	0.1
117.03397	0.8
121.10037	0.0
125.02341	0.2
125.06061	0.0
127.03950	0.1
128.06213	0.1
129.01845	0.2
129.07018	0.1
131.08589	0.0
135.04425	3.9
137.02353	1.3
137.03427	0.1
139.05463	0.1
147.04408	0.1
153.01839	10.3
157.06487	0.1
161.02351	1.2
167.04950	0.1
171.02914	0.6
171.04420	0.2
175.03928	0.1
179.03409	0.6
185.06003	0.3
189.05435	0.1
199.03944	0.2
203.03412	0.2
203.61996	0.1
213.05452	0.4
218.05821	0.1
219.06505	0.2
223.03946	0.1
227.03438	0.1
231.06546	0.2
241.04968	1.2
244.03772	0.1
245.04536	0.2
259.06061	0.2
263.05508	0.1
269.04474	0.8
287.05511	100.0
288.05853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03943	0.0
67.01863	1.5
68.81358	0.0
68.99467	0.0
68.99788	1.1
69.00162	0.1
69.03451	0.0
69.77914	0.1
69.78326	0.1
71.30768	0.0
78.40260	0.0
79.05489	0.2
79.54404	0.0
81.03404	0.1
83.01331	0.1
89.03392	0.1
89.03910	0.6
91.10131	0.0
95.04967	0.0
97.02875	0.1
105.03338	0.0
107.04971	0.3
109.02872	0.1
111.00794	0.2
111.04453	0.2
115.05445	0.1
117.03378	0.7
125.02361	0.2
127.03926	0.1
128.06190	0.0
129.01837	0.2
129.06978	0.1
131.04999	0.0
135.04414	4.3
137.02342	1.2
137.03394	0.1
139.05420	0.1
143.01288	0.0
143.04878	0.0
145.03995	0.0
147.04401	0.1
149.02277	0.0
153.01825	11.3
154.02246	0.0
155.05043	0.0
157.06471	0.2
161.02336	1.2
161.06036	0.0
167.04958	0.1
171.02876	0.5
171.04417	0.1
175.03966	0.0
179.03394	0.6
185.05994	0.2
189.05450	0.1
195.04395	0.1
199.03917	0.1
201.05464	0.1
203.03481	0.2
203.07016	0.0
213.05428	0.5
217.04910	0.1
218.05806	0.1
219.06490	0.1
223.03915	0.1
227.03488	0.0
229.04933	0.0
231.06300	0.2
240.04190	0.0
241.04955	1.3
244.03886	0.0
245.04390	0.2
258.05252	0.1
259.06076	0.2
263.05508	0.2
269.04437	0.8
270.04959	0.0
286.04782	0.1
287.05484	100.0
288.05789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	1.1
68.99791	1.3
69.03413	0.1
69.07072	0.1
70.58946	0.3
70.59295	0.1
73.27699	0.1
74.84284	0.1
79.05476	0.2
81.03408	0.2
89.03909	0.7
89.57481	0.1
95.04957	0.1
107.04938	0.3
109.02905	0.1
109.34656	0.1
111.00778	0.3
111.04462	0.2
117.03368	0.5
125.02341	0.1
127.03945	0.1
129.01854	0.3
135.04428	3.7
137.02368	1.1
139.05408	0.1
147.04396	0.2
153.01839	10.5
156.06705	0.1
157.06523	0.2
161.02371	1.6
171.02953	0.7
171.04332	0.2
179.02075	0.1
179.03381	0.7
185.05972	0.2
199.03877	0.2
203.03412	0.3
213.05374	0.3
219.06516	0.2
230.05327	0.2
241.04961	1.3
245.04465	0.2
258.05121	0.3
259.05588	1.6
263.05264	0.1
269.04514	0.7
287.05496	100.0
288.05859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05517	16.1
57.07079	2.6
65.03967	2.7
67.05511	19.9
69.07067	46.0
69.22382	24.9
71.04977	8.3
71.17278	2.5
79.05475	14.6
81.07061	34.7
83.04961	4.4
83.08632	7.5
91.05494	23.1
93.07038	31.5
95.04961	8.3
95.08607	36.5
97.06538	21.9
97.10174	7.5
105.07035	63.8
107.08595	31.9
109.06505	25.5
109.10157	35.1
111.08077	8.4
111.11803	2.5
117.06975	4.3
119.08589	71.9
121.06509	9.8
121.10134	31.6
123.08066	8.0
123.11713	13.6
131.08586	9.5
133.10124	50.8
135.08081	10.5
135.11687	15.3
137.09622	7.2
143.08534	5.5
145.10095	19.0
146.07259	7.6
147.08095	2.9
147.11687	16.4
149.09563	3.7
149.13303	6.3
155.08540	4.3
157.10139	7.7
159.11685	7.0
161.09618	100.0
161.13275	7.5
163.14880	3.3
164.12083	2.6
169.10121	4.9
171.11699	4.0
173.13275	5.4
175.11189	5.5
175.14835	57.5
177.16393	10.3
182.10927	3.7
183.11690	3.9
185.13284	10.9
186.03632	2.6
189.16360	5.5
193.15880	9.8
197.13280	9.4
199.14870	3.9
201.16409	3.5
203.14398	3.0
209.13361	2.6
211.14882	10.0
215.17947	5.7
242.05710	7.8
267.21115	12.8
270.05005	2.8
285.07574	18.6
285.17108	3.5
285.22162	21.3
285.29852	4.0
285.33182	3.2
306.56961	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	285.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.0
55.05513	65.1
56.96565	6.5
57.03445	9.9
57.07079	17.4
62.80110	1.8
63.00020	1.9
65.03970	2.7
67.05511	74.2
69.03419	3.7
69.07070	95.3
71.04979	6.0
71.08625	4.1
71.56494	2.5
73.64200	1.8
79.05064	3.4
79.05495	32.8
81.03418	13.7
81.07061	100.0
83.04977	12.2
83.08620	64.8
85.02903	5.7
85.06533	8.3
85.10198	2.5
89.52439	2.0
91.05476	27.7
93.07053	41.5
94.07391	1.9
95.04986	6.9
95.08612	91.1
97.06539	20.7
97.09549	3.1
97.10172	52.8
98.97591	5.7
99.04449	3.8
99.08094	7.5
101.06016	2.8
101.07088	2.0
105.07030	21.0
107.04928	2.2
107.08604	28.4
109.06522	4.5
109.10162	39.2
111.08099	11.9
111.11741	22.3
113.06020	1.9
113.09646	3.5
118.98146	2.1
119.08586	28.0
121.10142	45.5
123.08070	5.2
123.11736	18.3
125.09644	6.9
125.13297	5.8
130.45755	2.1
131.08559	2.8
133.10133	28.2
135.11681	38.6
137.09592	10.0
137.13290	6.8
139.11180	11.2
145.10135	3.7
147.03104	2.7
147.11703	24.0
149.01244	4.8
149.13280	4.5
150.59081	2.3
151.11124	9.5
151.14798	11.3
153.12708	9.9
156.03641	2.2
157.10138	3.5
157.12230	2.3
161.13274	18.7
163.14839	2.8
165.12747	7.9
169.12192	2.6
171.13783	3.7
175.14822	9.5
179.14389	4.0
183.11905	2.0
183.13713	2.1
187.06203	2.4
189.16333	3.3
192.32739	2.3
193.12242	9.2
193.15918	5.0
193.19501	5.5
204.10931	4.7
211.13342	6.1
217.19511	47.9
225.09142	2.7
225.18445	3.2
235.20584	44.8
242.05664	4.9
249.18567	10.5
253.08536	3.4
253.21664	14.8
257.04474	3.9
267.23422	2.7
270.05161	3.1
285.07611	19.8
285.10641	4.6
285.13623	13.9
285.17020	7.8
285.21512	3.2
285.24326	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01861	2.5
55.05271	1.6
55.05513	20.0
56.96560	7.3
57.03438	26.8
57.07063	2.3
58.66804	0.9
64.19644	1.2
65.03918	2.3
65.68685	0.9
67.05505	38.9
69.03423	6.0
69.07067	20.7
71.05002	8.7
71.05344	1.8
71.55011	1.1
73.06558	1.1
75.16199	0.9
79.05068	1.9
79.05492	25.1
81.03419	17.7
81.07058	100.0
81.31746	1.0
83.04984	11.2
83.08615	21.1
84.96016	2.8
85.02904	11.7
85.06544	8.5
91.05484	32.0
93.07047	19.6
95.04971	11.7
95.08604	25.7
97.02908	1.3
97.06532	8.7
97.10129	1.9
98.97586	6.3
99.04465	1.8
99.08073	4.1
101.05995	2.2
103.05469	2.7
105.03384	17.4
105.07036	36.5
107.04963	18.2
107.08594	18.2
108.05264	1.1
109.06544	8.3
109.10157	5.3
111.04430	1.9
111.08078	5.2
113.06002	2.5
116.98579	2.6
117.06994	1.2
119.04950	1.6
119.08582	35.4
121.02876	8.8
121.06520	1.9
121.10149	27.8
122.03182	3.3
123.03341	3.1
123.04408	1.6
123.08064	7.2
123.11710	27.2
127.03892	2.7
127.07566	3.7
129.07013	4.9
131.04936	3.6
131.08557	4.3
133.06525	2.1
133.10141	7.6
135.08012	1.8
135.11623	1.2
137.05878	1.1
137.09592	1.7
137.13254	3.2
139.03899	1.1
141.09096	1.8
142.07813	1.9
145.04974	1.3
145.10129	4.6
147.04411	10.6
147.11691	81.1
149.09570	4.2
149.13246	1.3
155.08578	1.7
157.10150	9.2
158.99669	1.8
159.11676	1.8
161.05991	1.7
161.13252	1.4
163.03918	1.3
165.07037	1.7
165.12758	43.2
167.00247	2.4
167.07019	2.9
169.01726	1.7
169.10159	1.3
171.03003	1.0
171.06349	1.2
173.13307	1.3
175.11200	6.4
177.00673	1.3
179.00117	2.0
183.11726	1.2
183.13808	6.8
185.01268	1.9
187.02762	1.4
187.14894	1.4
191.03436	2.4
193.06596	3.0
193.12248	21.6
196.05255	1.8
197.01189	4.0
210.06729	1.9
211.13257	11.9
215.02324	2.3
219.01823	2.2
221.05972	2.8
225.09077	5.2
227.14429	1.5
229.14304	7.5
237.02734	1.9
239.06989	2.7
242.05684	2.7
249.18526	2.4
253.03857	1.3
253.08591	8.5
257.04398	3.5
267.15924	5.3
270.05179	1.2
285.07593	16.3
285.11182	10.0
285.16965	82.2
285.22144	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.02372	1.2
51.51891	0.8
53.03938	3.5
55.01865	4.3
55.05270	1.7
55.05512	21.6
57.03438	42.3
65.03918	2.8
67.05505	39.3
69.03442	6.1
69.06734	1.0
69.07071	13.2
69.38120	8.4
70.09203	0.9
71.04695	0.8
71.04993	8.7
73.02915	1.5
73.06535	1.1
79.05496	35.5
81.03419	77.5
81.07056	46.7
83.04984	18.9
83.08622	32.3
83.09122	1.8
85.02907	70.7
85.06532	3.0
91.05482	43.8
93.07047	26.1
94.44696	0.9
95.04974	36.3
95.08027	0.7
95.08609	19.6
97.02884	5.2
97.06540	8.3
97.10184	4.7
98.20757	1.8
98.97546	1.4
99.04458	1.2
105.04550	1.4
105.07042	31.2
107.04954	8.3
107.08604	8.4
109.06506	6.8
109.10168	5.2
111.04435	3.8
111.07379	1.5
111.08085	17.8
113.05995	6.3
115.05457	3.0
117.07027	2.8
117.48503	1.0
119.05000	1.5
119.08589	31.4
121.06499	2.5
121.10152	17.5
123.08049	4.3
123.11694	3.5
125.05930	1.1
127.03932	1.3
129.07002	12.0
131.08559	16.2
133.06459	3.7
133.10127	17.1
137.09610	2.7
142.07787	4.6
145.10133	2.2
147.04396	3.4
147.08049	2.1
147.11694	24.0
149.09634	9.9
157.10133	19.2
163.11235	2.1
165.12776	4.1
175.11200	22.6
184.78123	1.1
193.12248	78.5
196.82607	0.9
201.16409	1.0
211.13295	57.2
253.08600	1.5
258.05328	3.4
267.15912	10.1
285.16977	100.0
286.04773	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03936	2.2
55.01624	0.9
55.01860	2.8
55.05514	11.0
57.03186	1.4
57.03440	16.1
59.95229	0.9
62.40275	0.8
65.03940	1.0
67.05177	1.5
67.05510	21.0
69.03428	4.2
69.07061	4.4
70.93546	2.2
71.04981	3.8
74.16718	0.9
79.05501	19.4
81.03425	100.0
81.07062	24.3
83.04999	8.4
83.08157	1.3
83.08625	24.3
85.02439	1.8
85.02913	26.2
85.06536	2.2
87.53624	0.9
91.04973	1.6
91.05490	20.8
93.07053	12.1
95.04974	30.7
95.08622	7.8
97.02883	2.8
97.06518	2.3
97.10139	1.8
98.97547	1.3
102.57542	0.9
105.07040	17.7
107.04974	6.5
107.08635	5.2
109.06514	3.4
109.10155	2.8
111.04444	2.3
111.08079	12.0
113.06023	2.3
115.05470	1.1
119.08601	13.1
121.06525	1.9
121.10163	8.8
123.08072	3.3
123.11721	2.2
125.09654	1.0
128.06161	1.1
129.07027	10.6
131.08595	9.1
133.06500	3.8
133.10162	6.4
142.07784	2.9
147.08029	2.6
147.11685	13.9
149.09601	6.8
157.10164	12.3
165.12772	4.6
175.11209	15.3
193.12254	69.7
211.13326	27.7
229.14302	1.9
234.72600	1.0
267.15921	12.0
285.07785	1.6
285.16971	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.49474	0.9
53.03938	3.5
55.01863	3.8
55.05512	13.0
57.03189	1.3
57.03442	17.5
62.77987	0.9
63.90361	0.9
65.03930	1.4
67.05184	1.6
67.05507	22.6
68.99786	1.5
69.03446	4.7
69.07062	6.6
71.04993	5.6
71.07649	1.2
72.68472	0.9
79.05497	20.7
81.03421	100.0
81.07060	23.0
83.04986	11.6
83.08153	1.7
83.08623	27.0
85.02911	32.6
85.06540	2.5
91.05485	26.6
93.07041	16.3
95.04369	1.9
95.04972	33.3
95.08616	9.3
97.02898	5.6
97.06535	3.5
97.10168	2.0
99.08093	2.0
105.07029	19.4
107.04962	7.4
107.08604	7.2
109.06519	6.6
109.10152	3.8
111.04433	3.2
111.08076	15.5
113.06002	2.5
115.05463	1.5
117.06990	2.6
119.04907	1.9
119.08585	17.4
121.02854	2.0
121.06504	2.1
121.10157	11.9
123.08041	2.9
123.11696	2.5
127.07562	1.0
128.06290	1.4
129.07028	11.4
131.04945	1.1
131.08595	11.1
133.06445	2.7
133.10135	9.0
135.11659	1.6
137.09636	1.8
142.07787	2.4
145.06500	2.0
145.10103	1.6
147.08031	3.4
147.11687	16.4
149.09604	4.6
155.04895	1.4
155.08534	1.1
157.10120	14.9
163.11165	1.1
165.12767	5.6
173.05949	2.2
175.11185	18.2
177.01637	1.0
183.04364	1.0
193.12253	77.5
201.05516	2.7
211.13306	35.5
225.09341	1.2
229.04996	9.7
229.14247	2.2
253.08578	1.6
257.04550	6.2
267.15939	16.2
285.03955	35.1
285.07462	2.6
285.16956	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.98593	1.2
52.27642	1.2
53.03929	4.6
55.01875	3.4
55.05513	14.9
57.03195	1.7
57.03440	18.5
57.99987	1.3
61.27084	1.0
65.03928	1.4
67.05508	21.7
67.49418	1.2
69.03426	2.9
69.07042	5.6
69.80334	1.2
70.30138	2.1
70.30490	3.7
71.04990	6.0
79.05486	17.3
81.03420	100.0
81.06603	1.6
81.07055	22.5
83.04981	8.8
83.08619	24.6
85.02908	32.1
85.06548	2.6
91.04977	2.0
91.05489	26.4
93.07040	15.3
95.04967	31.3
95.08629	8.1
97.02876	2.1
97.06497	3.6
97.10148	2.9
98.21456	1.3
99.04447	2.4
105.07021	15.7
107.04950	7.7
107.08594	5.8
109.06522	4.1
109.10168	3.0
111.04457	2.6
111.08082	17.0
113.05961	3.6
117.05461	2.9
119.08592	17.7
121.02867	1.4
121.06474	2.1
121.10150	9.1
123.08060	2.0
123.11700	3.5
124.01839	1.1
129.07010	11.5
131.08569	8.9
133.06487	1.5
133.10141	9.3
137.09616	1.4
142.07782	2.8
145.10110	3.3
147.07997	3.5
147.11705	14.2
149.09644	5.8
157.10123	14.1
165.12698	5.9
171.95180	1.4
175.11191	20.1
179.25238	1.1
193.12251	74.4
211.13287	41.1
229.14323	3.3
253.03532	2.0
267.15866	16.8
285.16937	54.9
287.05524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01870	4.1
55.05516	29.1
57.03438	53.2
57.07056	2.2
65.03951	1.7
67.05182	2.9
67.05509	41.7
69.03423	4.5
69.07075	14.7
69.19557	18.4
71.05000	10.0
79.05069	2.8
79.05496	38.6
81.03421	82.2
81.06604	2.6
81.07063	48.6
83.04987	18.3
83.08629	32.1
85.02908	83.4
91.05487	47.6
93.07050	30.2
95.04379	2.2
95.04971	37.8
95.08622	23.8
97.02879	5.3
97.06521	6.9
97.10162	6.4
99.08082	4.1
101.06060	2.0
105.06398	2.7
105.07031	31.2
107.04937	7.6
107.08616	12.3
109.06482	5.9
109.10138	7.2
111.04405	3.3
111.08077	19.9
113.05982	6.5
115.05391	2.2
117.07017	3.1
119.08585	30.4
121.06505	3.9
121.10152	16.4
123.08048	4.0
123.11700	6.6
125.05959	2.2
129.07013	15.4
131.08565	18.6
133.06482	5.4
133.10139	14.4
137.09624	3.8
145.10138	3.0
147.08073	3.2
147.11696	26.2
149.09583	10.7
157.10130	22.9
165.12740	6.1
175.11191	26.5
193.12248	94.8
211.13293	76.6
241.26730	1.7
242.05759	4.2
247.26266	1.9
265.65741	1.7
267.15927	3.2
270.05319	2.4
285.07632	20.3
285.16946	100.0
285.22021	4.0
285.33408	4.2
301.15222	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.98760	2.4
53.03940	3.8
55.01871	3.9
55.05516	29.1
57.03443	51.7
57.07059	5.5
59.04987	3.7
65.03903	2.3
67.05183	3.3
67.05511	44.2
69.03417	6.8
69.07078	15.5
70.65395	1.8
71.04996	11.4
71.08624	2.8
79.05500	37.0
81.02930	2.4
81.03423	79.7
81.07060	53.5
83.04984	19.3
83.08623	33.8
85.02911	84.4
85.06538	4.0
91.05483	43.6
93.07039	25.2
95.04974	36.3
95.08610	30.8
97.02856	3.7
97.06516	6.1
97.10153	8.1
98.21515	4.9
105.07038	34.1
107.04942	6.6
107.08618	11.3
109.06509	8.9
109.10139	8.4
111.04429	3.9
111.08078	18.5
113.06005	6.8
117.06980	2.9
119.07825	2.3
119.08591	30.1
121.06511	3.9
121.10154	16.4
123.08062	4.0
123.11707	7.2
129.07010	14.4
131.08612	15.4
133.06535	3.2
133.10146	16.7
142.07751	4.1
145.10103	3.3
147.08113	2.4
147.10669	2.7
147.11705	28.1
149.09663	9.9
157.10133	18.9
165.12752	5.9
175.11200	23.9
193.12257	100.0
195.40916	1.8
211.13300	74.3
223.25656	2.2
242.05728	7.2
267.15921	2.9
270.05240	3.3
285.07596	24.0
285.16946	99.0
285.23721	4.1
285.29211	3.0
285.33322	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03945	1.7
55.01862	5.1
55.05275	1.7
55.05515	23.8
55.19343	1.4
56.96559	4.5
57.03440	40.9
57.07050	2.7
59.04992	2.6
59.57804	1.4
63.00027	3.3
67.05506	38.9
69.03411	6.0
69.07071	15.1
71.04989	12.4
71.52761	1.5
71.56576	2.0
71.56950	1.6
73.51850	1.4
79.05492	35.3
81.03421	76.0
81.07060	47.8
82.09620	1.6
83.04993	18.6
83.08617	34.4
85.02907	76.4
85.06540	3.1
91.05488	42.0
93.07044	28.6
95.04375	2.1
95.04971	37.1
95.08617	20.7
95.16833	1.4
96.88863	1.5
97.02869	4.5
97.06537	9.7
97.10133	5.3
98.97585	6.4
98.98464	1.8
105.03365	1.9
105.06390	2.8
105.07032	31.5
107.04954	9.1
107.08604	15.4
109.06519	8.4
109.10141	7.1
111.04435	4.2
111.08096	18.0
113.06001	5.9
116.98622	2.5
117.07001	2.7
119.08585	28.2
121.10148	16.8
123.08028	4.5
123.11675	5.3
125.09582	1.7
127.07513	1.7
129.07024	9.4
131.08554	14.5
133.06482	3.1
133.10138	15.7
137.09639	2.9
139.11183	1.9
142.07791	4.5
143.08546	1.9
145.10129	4.6
147.04398	1.9
147.08025	4.3
147.11713	21.2
149.09599	7.2
157.10150	23.4
158.99544	1.8
165.06969	1.7
165.12720	6.7
174.90396	1.7
175.11172	22.5
189.16650	1.8
190.82121	1.6
193.12250	100.0
210.06676	2.0
211.13293	72.8
211.15298	3.8
242.05664	5.5
249.18510	3.2
253.08481	2.2
257.04324	2.3
267.08966	2.5
267.15790	3.8
271.12091	2.5
283.06177	3.2
284.06564	2.8
285.07471	14.7
285.10532	5.1
285.16943	93.3
285.22067	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03942	3.8
55.01868	3.4
55.05518	21.5
57.03441	44.8
57.07059	1.8
58.59278	1.8
59.04979	2.6
61.48001	1.5
62.04153	1.5
67.05511	33.2
69.03430	5.0
69.07069	9.8
70.98792	4.1
71.05006	11.2
79.05495	30.5
79.54205	1.6
81.03421	85.2
81.07060	47.1
83.04981	20.7
83.08623	32.0
83.85706	2.2
85.02911	73.4
85.06528	3.7
88.77176	1.6
91.05485	42.7
93.07057	24.1
95.04976	40.0
95.08612	17.7
97.02891	3.0
97.06519	5.6
97.10159	4.5
99.08122	1.6
105.07034	29.4
107.04966	6.8
107.08597	9.9
107.94833	2.1
109.06564	7.8
109.07185	1.4
109.10163	5.5
111.04433	5.3
111.08084	20.1
113.06010	7.4
115.05457	4.1
115.83619	1.6
117.07008	1.9
119.08580	26.4
121.06515	1.7
121.10155	10.7
123.08066	3.0
123.11742	4.6
129.07027	12.3
131.08577	13.3
133.06512	3.1
133.07451	2.0
133.10136	12.4
135.11719	1.8
136.60654	1.6
137.09627	4.2
142.07788	4.0
142.24149	1.8
145.10106	2.9
147.08040	5.7
147.11696	25.0
149.09653	9.7
151.11037	1.8
156.03526	1.7
157.10135	18.7
163.10963	1.8
165.12764	5.3
175.11208	25.3
175.43459	1.8
193.12257	100.0
211.13306	80.6
242.05734	7.6
267.15872	6.2
270.05304	4.3
285.07654	24.1
285.16974	92.7
285.33624	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03931	4.1
54.25887	2.3
55.01871	5.0
55.05515	22.8
57.03441	50.1
57.07061	3.0
59.04983	2.2
63.00032	2.9
65.03962	2.2
67.05183	3.9
67.05510	38.8
69.03426	6.8
69.07084	10.8
71.04980	10.0
75.36697	1.9
79.05502	30.3
81.03423	98.5
81.07063	52.2
83.04987	18.9
83.08630	37.9
85.02912	83.7
85.06557	4.5
91.04980	3.2
91.05492	42.6
93.07049	26.6
95.04978	36.8
95.08616	25.6
97.02895	4.5
97.06503	6.3
97.10150	6.1
99.04500	2.2
105.07041	33.6
107.04942	7.3
107.08627	10.5
109.06501	7.8
109.10139	7.2
111.04471	5.6
111.08084	24.1
113.05989	7.5
117.07038	2.3
119.08588	29.9
121.10132	17.7
123.08061	3.2
123.11679	6.2
129.07002	14.9
131.08578	12.9
133.06491	4.3
133.10109	15.9
135.04399	7.7
142.07767	3.4
145.10112	3.0
147.08060	4.3
147.11700	30.1
148.60172	2.1
149.09618	7.5
157.10135	20.1
165.12784	5.2
175.11191	28.6
193.12254	100.0
211.13316	72.5
229.14279	2.6
242.05795	6.6
267.16034	3.1
285.07675	22.0
285.10611	3.9
285.16931	96.7
285.33313	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	285.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01867	4.2
57.03432	7.4
64.95859	1.5
67.05502	3.9
69.03413	1.8
69.07063	1.7
69.64532	5.6
69.64949	3.3
70.06571	2.3
71.04977	3.4
75.04494	2.5
77.03929	2.1
79.05492	9.1
79.63824	1.4
81.03424	6.3
81.07053	2.5
83.08604	3.5
91.05482	20.1
93.03395	1.7
93.07034	3.9
95.04952	5.3
95.08604	4.2
97.02900	3.4
98.97636	1.5
99.04473	2.4
103.05461	3.9
105.03385	4.3
105.07040	19.2
106.04177	3.0
107.04953	12.3
108.05721	1.5
108.08147	1.4
109.02876	2.0
109.06485	6.0
113.05983	1.9
115.05478	3.6
118.04130	3.7
119.04941	24.8
121.06503	10.1
123.04373	2.1
123.08044	3.1
125.02332	1.7
125.05974	3.1
127.03932	2.2
131.08482	1.6
133.06499	17.3
134.03642	4.9
135.04398	6.6
135.08083	2.6
136.05182	6.7
137.05952	3.3
139.07573	1.5
140.04703	9.7
141.05493	2.3
147.04402	8.5
149.06001	16.4
151.07564	15.3
153.05478	100.0
161.05991	38.9
161.09610	2.8
162.26614	1.4
163.03902	2.6
163.07571	2.0
165.06967	1.8
167.07057	18.9
168.07832	91.6
177.05476	4.6
178.06284	1.9
179.07033	9.6
181.08595	5.7
193.06593	2.2
193.08606	40.3
193.12250	4.5
196.05693	4.3
196.07315	76.7
209.08072	10.3
210.08823	1.9
211.09660	82.2
212.27177	1.5
221.05884	1.7
225.09117	2.6
242.05699	2.4
253.08597	2.8
276.69315	1.5
285.07654	7.9
285.10922	2.8
285.17047	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.9
55.05518	25.0
55.81641	3.2
56.86758	2.8
57.03442	51.1
57.07071	7.1
59.43367	2.9
60.08161	11.4
67.05509	41.4
69.03435	8.8
69.07066	15.8
71.04994	9.3
71.08617	3.3
75.45519	2.7
79.05499	36.2
81.02342	2.9
81.02930	4.4
81.03423	78.4
81.07062	55.1
83.04998	19.9
83.08617	32.2
85.02903	79.2
91.05481	47.2
93.07041	30.4
95.04970	41.0
95.08614	19.9
97.02879	4.7
97.06532	9.6
97.10165	6.2
103.05450	3.9
105.03399	6.8
105.07043	32.1
107.04984	10.0
107.08594	14.1
109.06511	11.3
109.10188	7.0
111.04472	5.3
111.08068	17.0
113.06018	6.9
117.06950	3.1
119.08586	31.4
121.06544	2.9
121.10145	16.1
123.11755	6.3
129.07010	12.4
131.04935	15.4
131.08563	16.3
133.06418	4.6
133.10132	18.1
137.09554	3.0
142.07805	5.1
145.10118	3.6
147.08067	5.3
147.11717	26.1
149.09616	6.2
157.10155	21.0
158.28514	2.9
165.12770	5.4
175.11201	27.7
193.12254	100.0
205.68219	3.1
211.13284	70.9
229.59119	4.0
242.05798	10.2
267.15872	3.7
270.05292	6.5
284.33148	31.4
285.07611	32.6
285.10626	4.8
285.16904	78.3
285.21899	5.0
285.33435	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0993
Annotation	NSC19994
Peak:m/z	Relative Intensity
50.45631	0.1
55.01860	0.3
56.96569	1.4
57.03432	0.5
59.04997	0.1
61.02913	0.5
61.58452	0.2
62.33459	0.2
64.23583	0.2
69.03431	1.1
69.48184	1.2
70.06589	0.2
71.01334	0.2
73.02911	0.5
75.14774	0.2
81.03392	0.4
85.02915	1.5
87.04469	0.4
97.02897	1.0
97.09345	0.2
98.03195	0.2
98.97588	3.4
101.00893	0.5
107.04967	0.3
109.02820	0.3
109.05098	0.4
110.03533	2.0
110.97571	0.4
116.98638	1.3
119.01896	0.5
124.99178	0.1
127.03879	0.4
128.04535	0.6
128.98648	0.2
129.05403	0.2
131.01913	0.2
134.99712	0.2
135.03029	5.9
136.99107	0.2
143.00162	0.2
145.03419	0.3
149.05986	0.2
149.15630	0.2
152.05679	100.0
153.04083	4.7
153.05965	0.2
154.03773	0.2
155.00153	0.2
155.01917	0.2
158.99719	0.3
170.99594	0.2
175.04625	0.2
177.00838	0.4
182.99715	0.2
189.00685	0.2
193.04327	0.2
193.54547	0.3
196.79991	0.2
201.00729	0.6
203.05748	0.3
219.01820	1.0
228.02554	0.2
237.02719	0.2
243.01920	0.3
260.99600	0.5
261.03061	1.8
274.57056	0.3
279.00745	0.5
284.09955	0.2
307.43973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2634
Annotation	Elaidic Acid
Peak:m/z	Relative Intensity
53.03958	3.1
55.01871	6.0
55.05515	62.2
57.03430	4.6
57.07077	85.9
59.04991	2.5
65.64790	1.2
67.05508	36.7
67.37285	1.3
69.03434	2.2
69.07071	100.0
71.04996	6.4
71.08638	59.4
71.39028	2.8
73.06551	3.4
79.05499	23.1
81.03412	2.0
81.07062	56.3
83.04984	11.6
83.08620	69.8
85.06538	6.4
85.10188	32.4
87.04449	1.5
91.05480	5.0
93.06477	2.4
93.07048	40.2
95.04975	2.1
95.08613	48.2
97.06536	25.7
97.10176	46.7
99.08089	3.8
99.11740	2.8
101.06041	3.2
107.08599	35.0
109.09462	2.4
109.10166	27.9
111.04465	3.1
111.08092	16.8
111.11731	15.1
113.09570	1.3
115.07559	4.3
117.07007	2.1
119.08591	2.6
121.06490	1.3
121.10149	33.5
123.11708	11.9
125.09645	16.2
125.13275	4.2
129.09119	5.3
132.71906	1.3
135.10689	2.2
135.11702	38.9
137.13287	6.6
137.76819	1.5
139.11195	19.6
139.14798	2.1
143.08537	1.6
143.10677	5.9
145.10152	3.1
149.13261	27.4
151.14821	4.1
153.12753	17.1
157.12259	2.2
163.11195	4.6
163.14830	20.9
165.16425	2.8
167.14322	11.4
171.13766	1.8
172.95317	1.5
177.16394	15.5
181.15877	9.0
185.15356	1.7
191.10670	1.5
191.17931	7.6
195.17426	6.0
195.66068	1.3
205.19514	2.9
209.19041	6.1
213.18483	3.3
223.24159	1.8
227.12784	3.8
228.97832	1.7
231.35086	1.4
238.06485	1.3
247.24214	41.6
265.25281	27.1
283.15195	9.1
283.26306	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	all-trans-Dehydroretinal
Peak:m/z	Relative Intensity
53.03939	6.7
55.01881	6.7
55.05513	23.4
56.96550	7.6
57.03429	6.8
57.07065	9.7
67.05183	3.6
67.05513	50.8
69.03411	6.5
69.07071	21.4
69.30968	13.4
69.31393	18.7
71.05004	22.7
71.08593	4.0
79.05492	37.7
81.07063	83.4
81.23586	4.0
83.04964	14.7
83.08614	11.3
84.77065	4.0
85.06525	5.7
91.05484	45.8
93.07050	69.7
95.04950	21.6
95.08614	47.1
97.06523	12.1
97.10160	3.7
98.21532	6.5
98.97585	8.2
105.07036	72.2
106.85918	3.8
107.04963	6.4
107.08602	48.6
109.06517	14.1
109.10136	30.0
111.08061	6.3
115.05472	4.0
117.06998	17.8
119.08591	53.5
121.02940	4.6
121.06513	9.1
121.10144	100.0
123.08061	12.6
123.11684	11.8
125.09645	4.7
126.89245	3.4
128.06259	6.1
129.07010	9.9
130.07774	12.0
131.08577	58.8
133.10123	54.0
135.08081	12.1
135.11716	19.0
142.07773	7.7
143.08534	20.2
145.10130	63.8
146.07327	5.8
147.08034	4.0
147.11697	16.4
149.09613	5.5
149.13289	4.3
153.12766	4.9
155.08533	5.6
156.09296	4.7
157.10138	18.5
158.10881	6.7
159.11690	15.9
161.09642	31.8
161.13251	8.0
163.11197	15.7
163.14873	8.0
169.10176	4.1
170.10860	4.3
171.11688	15.1
173.09666	6.7
173.13274	89.9
175.14798	11.2
178.39049	3.4
179.08652	4.2
181.10100	5.5
183.11691	7.4
185.13269	7.6
187.14783	10.6
189.12701	5.4
191.14363	9.0
195.11694	6.8
197.13295	7.5
199.14749	6.9
209.13242	12.0
223.14835	6.4
225.16240	5.2
227.14424	4.6
255.21196	7.8
265.19470	12.4
265.21915	5.7
283.15454	8.7
283.20557	80.4
283.28116	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03948	3.7
55.01865	2.2
55.05512	16.1
57.07074	4.3
65.03906	1.8
66.13335	1.5
67.05182	1.9
67.05509	27.8
69.03439	9.5
69.07069	15.6
70.38689	6.6
71.04996	17.2
77.03879	1.9
79.05498	25.0
81.03407	1.8
81.07059	47.6
82.23752	1.6
83.04976	4.4
83.08617	6.4
85.06535	4.1
91.05482	33.9
93.07047	48.0
95.04967	13.8
95.08606	28.3
97.06519	6.0
97.10172	2.2
103.05461	2.5
105.07034	55.3
107.04974	2.4
107.08598	36.3
109.06518	6.6
109.10156	23.7
111.08083	3.2
115.05461	4.8
117.07040	14.4
119.08587	47.0
121.06513	10.5
121.10151	83.5
123.08078	6.7
123.11678	9.3
125.09633	2.5
128.06221	4.3
129.07031	9.0
130.07796	7.1
131.08582	41.5
133.10135	37.0
135.08084	11.4
135.11679	12.4
137.09598	3.2
142.07803	6.7
143.08560	21.5
144.09354	4.5
145.06453	2.0
145.10129	49.0
146.07294	3.8
147.08063	6.6
147.11693	12.0
149.09656	2.0
149.13255	2.3
155.08585	6.3
156.09390	4.4
157.10124	21.6
158.10954	7.9
159.08046	4.1
159.11700	15.3
161.09621	34.0
161.13295	5.5
163.11186	8.6
163.14835	2.9
165.06985	1.7
167.08525	2.4
168.09383	2.6
169.10120	6.3
170.10849	2.6
171.08064	2.5
171.11690	16.4
173.09601	2.2
173.13274	74.4
175.11220	6.3
175.14850	9.1
179.08568	3.1
180.09291	2.1
181.10149	5.2
183.11700	6.8
185.09616	4.1
185.13275	10.2
187.11212	2.4
187.14825	9.4
189.12706	3.8
191.14362	7.7
193.10139	3.5
194.10918	4.0
195.11772	9.0
197.13280	5.7
199.11227	3.2
199.14816	9.4
201.16353	2.2
207.11690	2.1
208.12524	2.8
209.13199	14.4
210.14024	2.4
211.14830	1.9
213.12761	3.5
213.16388	3.8
215.14200	2.4
223.14851	9.6
225.16370	4.9
227.14468	9.3
237.16382	2.9
239.17970	2.9
241.15913	2.4
250.17320	2.1
255.21066	11.7
265.19592	26.4
283.09540	1.8
283.20569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
54.12674	0.5
55.01872	4.1
55.05514	7.9
56.96564	1.7
57.03440	9.5
57.07069	1.3
65.03934	3.6
67.05508	14.3
69.03439	8.9
69.07067	7.6
70.88770	1.1
71.01331	0.8
71.05000	3.7
73.02893	1.6
77.03951	0.7
79.05496	19.0
81.03418	9.9
81.07060	15.7
83.04981	4.1
83.08619	6.8
85.02906	6.8
85.06538	1.0
91.05479	7.0
93.07048	31.8
95.04971	10.1
95.08611	27.9
97.02888	5.7
97.06528	3.7
98.97578	3.2
99.04466	4.9
103.05493	1.3
105.04534	0.6
105.07033	6.2
107.04960	8.4
107.08597	22.4
109.02885	4.0
109.06514	2.3
109.10171	2.5
111.04459	3.3
111.08096	1.8
111.11691	0.6
115.05448	0.6
116.98639	0.9
117.07027	8.0
119.08593	8.1
121.02874	100.0
121.06502	5.4
121.10146	10.9
125.05986	2.1
127.03944	2.5
129.07011	0.8
130.07811	2.3
131.04933	0.9
131.08574	1.8
133.10184	3.1
134.09636	0.6
135.08047	2.0
135.11694	34.1
138.30574	0.6
139.03914	9.2
139.07552	2.1
139.11194	1.0
143.08508	1.0
145.06483	1.2
145.10129	21.4
147.04411	1.1
149.09639	0.9
153.12775	0.6
155.08626	0.8
158.99643	0.9
163.11183	43.5
173.09644	1.2
177.05412	0.7
181.12244	11.1
191.10709	1.0
209.11661	1.2
215.63695	0.6
227.12785	81.6
247.16934	0.8
264.65161	0.7
265.07251	3.5
265.09732	0.7
273.65540	2.9
274.15692	0.6
283.05743	3.0
283.15366	34.7
284.02393	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
53.81653	1.0
55.01854	2.7
55.05514	12.3
57.03440	10.3
57.07069	1.7
61.40288	1.0
67.05503	17.5
69.03413	1.8
69.07061	7.8
69.99796	1.0
71.04982	2.4
71.39378	1.4
73.02912	1.9
79.05494	28.5
81.03407	3.3
81.07054	25.1
82.24893	1.0
83.04980	4.6
83.08610	9.6
89.06031	1.3
91.05471	10.8
93.07043	38.6
95.04954	7.7
95.08609	34.1
97.02888	5.5
97.06513	4.4
97.10167	1.9
99.04451	4.7
105.07040	7.7
107.04955	11.3
107.08593	26.7
109.06543	2.8
109.10133	3.3
111.04434	2.7
111.08052	1.4
117.07009	11.2
119.08566	7.1
121.06523	5.7
121.10138	13.3
123.11677	1.5
125.06004	3.3
130.07761	2.7
133.10098	2.6
135.08040	1.5
135.11688	49.9
138.94978	1.0
139.07481	2.4
143.08546	1.4
145.09045	2.2
145.10124	27.6
153.12730	1.8
157.10100	1.3
163.11174	59.0
173.09590	1.7
181.12242	12.8
191.10652	1.2
209.11668	2.4
227.12775	100.0
234.74336	1.2
240.51320	1.2
283.15402	35.5
283.20193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01860	3.6
55.05508	12.5
57.03443	12.8
57.07073	2.8
62.94873	1.2
67.05506	19.8
69.07074	12.7
69.94048	1.6
69.94319	5.8
71.04983	2.7
71.08653	1.2
79.05071	1.7
79.05497	26.5
81.03399	3.4
81.07064	20.0
83.04972	5.0
83.08628	7.7
85.06534	2.7
88.62083	1.2
89.06022	4.1
91.05499	9.7
93.06479	2.2
93.07052	36.4
95.04974	7.4
95.08611	37.3
97.02871	4.8
97.06540	5.4
97.10164	2.0
99.04448	4.8
99.74221	1.3
103.05456	1.4
105.07020	7.8
107.04970	10.5
107.08606	29.8
109.06486	2.1
109.10139	3.8
111.04439	4.1
111.08083	1.6
111.81532	1.3
117.07022	11.0
119.08612	9.8
121.06530	5.7
121.10157	12.8
125.05953	3.4
130.07793	1.6
131.08551	1.7
133.10130	3.3
135.08083	2.0
135.11699	46.2
139.07570	1.8
144.54890	1.6
145.10130	24.0
153.18117	1.2
163.11192	61.4
173.09598	1.9
181.12239	13.8
191.10669	1.5
209.11684	4.3
227.12791	100.0
234.92352	1.3
255.15845	1.4
283.15414	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
54.44490	0.2
54.49308	0.2
55.01885	0.6
55.05507	0.6
56.96562	1.1
57.03424	0.7
61.02930	0.6
65.03944	2.5
67.05508	0.9
68.99790	0.3
69.03432	3.8
69.07049	0.4
70.58802	0.7
71.01350	0.4
71.04974	0.5
73.04402	0.3
77.03944	0.3
79.05486	0.4
81.03414	5.1
81.07064	0.8
81.35629	0.2
85.02904	5.8
91.05486	0.3
93.07040	0.7
95.04978	6.2
95.08618	0.4
97.02902	2.0
97.06570	0.4
98.97514	0.5
98.98477	3.0
99.04461	0.8
105.03400	4.7
105.07030	0.3
106.03732	0.3
107.04959	0.9
107.08605	0.6
109.02895	2.2
111.04471	1.5
118.64432	0.2
121.02876	100.0
121.10189	0.6
126.19963	0.3
126.87105	0.2
127.03920	1.2
139.03911	9.3
139.41388	0.2
145.10213	0.5
148.99094	0.5
155.04675	0.3
163.11205	0.3
167.00217	1.2
177.05646	0.4
185.01242	0.7
227.12730	0.6
228.06107	0.3
260.08447	0.3
265.07114	2.9
275.05981	0.9
283.08090	1.4
283.15494	0.5
293.07059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
55.05515	10.8
57.03447	8.7
57.03688	1.9
57.07073	4.3
65.03949	2.0
67.05236	1.5
67.05509	19.5
69.03411	2.1
69.07063	12.6
71.04988	2.7
71.08601	2.2
79.05484	21.6
81.03414	3.2
81.07055	22.5
83.04978	5.4
83.08626	9.4
84.43956	1.9
91.05494	11.4
93.07046	36.6
95.04971	5.7
95.08611	32.9
97.02887	1.7
97.06528	4.0
97.10153	2.6
99.04438	3.7
105.07034	8.5
107.04955	10.6
107.08596	23.3
109.06547	2.4
109.10134	5.6
111.04423	3.0
117.07011	6.1
117.29886	1.6
119.08585	8.1
121.02884	2.5
121.06494	5.5
121.10124	14.4
122.69507	2.0
125.05958	2.9
131.08539	2.4
133.10143	4.3
135.11691	37.9
143.08575	1.8
145.10124	23.7
147.11670	2.2
151.74960	1.5
163.11188	53.6
173.09596	4.6
174.93465	1.8
181.12254	11.5
191.10718	1.9
196.67097	2.0
209.11656	3.4
227.12790	100.0
257.93463	2.1
265.21841	2.4
283.15305	37.8
283.28195	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	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90173	0.2
53.03939	0.9
55.01862	0.4
57.03429	1.0
65.03933	2.3
67.00040	0.3
67.05476	0.3
67.37717	0.2
69.03428	4.1
69.07066	0.3
70.87492	0.3
70.87808	0.3
71.01376	0.3
71.04986	0.4
79.05483	0.4
81.03421	5.0
85.02908	4.8
91.05475	0.3
93.03364	0.3
93.07031	0.6
95.04974	5.5
97.02890	1.0
99.04453	0.5
105.03400	0.4
105.07020	0.4
107.04966	0.5
109.02894	3.0
111.04426	1.4
119.08562	0.3
121.02871	100.0
121.10136	0.3
122.03178	0.3
127.03925	1.0
131.72092	0.3
139.03897	9.3
151.72801	0.3
167.10617	0.3
169.97003	0.3
194.52609	0.2
260.08496	0.3
265.06995	3.2
283.07999	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87552	0.2
53.03956	1.9
54.91190	0.2
55.01867	0.7
55.05517	0.3
56.96559	0.3
57.03449	1.1
61.02182	0.2
61.02914	0.4
65.03939	2.3
67.05499	0.4
69.03435	4.7
70.68565	0.5
70.68902	0.3
71.01346	0.2
71.04990	0.8
79.05489	0.5
81.03426	9.9
81.07048	0.4
83.04973	0.3
85.02910	5.3
91.05505	0.3
93.07034	0.6
95.04971	5.1
95.08621	0.4
97.02900	2.6
97.06549	0.4
98.97599	0.5
99.04461	0.9
105.03382	0.4
105.07037	0.3
107.04958	4.7
107.08621	0.4
107.26454	0.2
109.02888	4.4
111.04461	1.5
116.98624	0.2
119.08591	0.3
121.02877	100.0
121.10234	0.3
122.03225	0.5
127.03905	2.2
129.05440	0.2
131.04948	0.3
138.58553	0.2
139.03911	9.3
145.05028	0.3
145.10231	0.3
147.04414	0.3
151.03905	0.3
166.87993	0.3
200.39790	0.2
228.57811	0.3
265.07065	7.0
265.09912	0.4
283.08295	1.6
283.11176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87275	0.3
51.58586	0.2
53.03938	1.2
55.01848	0.3
55.53094	0.2
57.03428	1.0
65.03938	2.7
66.84295	0.2
67.05502	0.4
68.45922	0.3
69.03436	4.6
71.04986	0.7
71.53733	0.4
81.03425	6.6
81.07077	0.5
85.02913	4.7
89.71597	0.2
93.07025	0.4
95.04976	5.0
95.08599	0.4
97.02892	2.0
97.06574	0.3
99.04469	0.9
109.02880	3.2
111.04452	1.4
121.02875	100.0
122.03211	0.5
127.03931	1.0
136.07689	0.3
139.03905	8.8
140.92285	0.3
145.05070	0.3
145.10074	0.3
154.76657	0.2
161.09528	0.3
220.53468	0.3
265.07083	5.0
283.08282	1.1
283.15356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.2
53.03947	0.9
55.01868	0.3
55.05506	0.3
57.03451	0.8
65.03940	2.2
67.05489	0.2
69.03082	0.3
69.03436	4.5
69.07066	0.3
71.04958	0.4
79.05502	0.2
81.03422	5.5
81.07074	0.3
83.04980	0.3
85.02912	5.2
91.05450	0.2
93.07063	0.4
95.04971	5.4
95.08647	0.4
97.02879	1.3
99.04472	0.7
107.04958	0.4
107.08629	0.2
109.02890	2.6
111.04449	1.4
121.02874	100.0
121.10122	0.3
122.03200	0.4
127.03934	1.4
139.03908	9.7
145.04932	0.2
145.10210	0.2
163.11252	0.2
209.11746	0.3
211.06140	0.2
223.13315	0.2
250.94135	0.2
265.07077	4.1
275.87064	0.2
283.07870	1.5
283.15469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03944	1.3
55.01874	0.5
55.05503	0.4
57.03446	1.0
61.02914	0.3
65.03943	2.4
67.05510	0.5
69.03080	0.3
69.03432	3.8
69.07069	0.3
69.57811	1.2
71.01347	0.2
71.05000	0.4
73.02914	0.3
79.05485	0.8
81.03421	5.9
81.07045	0.8
83.08603	0.2
85.02908	5.5
91.05489	0.4
91.15517	0.2
93.07045	1.5
95.04975	6.1
95.08619	0.9
97.02879	1.7
97.06556	0.2
98.97564	0.3
99.04438	0.9
105.07017	0.4
107.04939	0.5
107.08580	0.8
109.02883	2.7
111.04437	1.8
117.07029	0.3
119.08559	0.2
121.02873	100.0
121.10141	0.8
122.03252	0.3
127.03892	1.4
133.10144	0.3
135.11710	1.1
139.03909	9.7
145.10141	0.6
149.09618	0.3
163.11215	1.4
173.09633	0.2
177.00783	0.2
181.12241	0.4
227.12793	3.2
227.14906	0.2
265.07062	3.8
265.14331	0.3
283.08212	1.5
283.15393	1.0
299.61890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
51.87027	0.2
53.03949	1.2
53.64435	0.2
55.01865	0.9
55.05500	0.5
56.96551	0.4
57.03433	1.1
57.07073	0.3
58.79871	0.2
61.02910	0.3
61.41295	0.2
65.03941	2.7
67.05498	0.8
69.03084	0.4
69.03432	5.0
69.07063	0.9
71.01316	0.2
71.04997	1.1
71.54621	0.3
79.05486	0.7
81.03418	6.7
81.07057	0.8
83.04978	0.5
83.08652	0.3
85.02905	5.9
87.04416	0.3
91.05486	1.7
93.07036	1.0
95.04971	6.1
95.08611	0.6
97.02887	2.0
97.06552	0.5
98.97585	0.8
99.04438	1.0
105.04549	0.2
105.07050	0.3
107.04935	0.3
107.08586	0.5
109.02882	3.6
109.06515	0.7
109.10158	0.3
110.03693	0.3
111.04450	2.0
111.08126	0.3
113.04269	0.3
116.98608	0.3
117.07017	0.2
119.04953	1.1
119.08601	0.5
121.02872	100.0
121.10143	0.4
122.03239	0.3
123.08067	0.3
125.05967	0.3
127.03927	1.3
131.08627	0.4
133.10138	0.3
135.11708	0.3
139.03908	8.8
139.11218	0.3
140.04643	0.3
145.10112	0.4
147.04402	3.2
147.08119	0.2
163.07533	0.3
163.11191	0.3
173.13260	0.2
177.05489	0.3
179.32669	0.2
181.04977	4.0
181.06522	0.4
193.04947	0.3
209.11841	0.4
211.19089	0.2
225.05295	0.3
240.07878	0.6
251.07036	0.5
253.10672	3.1
265.07065	4.9
265.10657	0.6
265.14371	0.3
265.17975	0.3
268.07364	0.3
272.53333	0.2
283.08450	1.3
283.11783	2.9
283.15323	1.0
283.18512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94173	1.4
53.03952	7.4
55.01855	5.9
55.05278	1.9
55.05515	32.4
56.96338	1.3
56.96568	14.3
57.03441	25.2
57.07055	5.6
65.03925	3.6
65.62193	1.2
67.05508	79.8
69.03413	3.6
69.06739	1.2
69.07070	17.8
69.23984	6.4
69.24409	4.8
71.04974	3.9
73.06557	2.0
77.03934	1.4
79.05497	100.0
80.57870	1.1
81.03423	13.5
81.07060	70.0
83.04987	33.1
83.08624	8.9
84.96027	3.0
85.02895	2.5
85.06527	4.8
87.31775	1.2
91.04907	2.9
91.05484	68.9
93.07052	74.0
95.04971	25.8
95.08614	39.9
97.02882	3.0
97.06539	16.7
97.10162	5.6
98.20725	2.3
98.97585	9.1
99.04418	1.4
103.05439	1.6
105.00164	3.6
105.04541	3.0
105.07036	50.5
107.04965	14.3
107.08593	26.3
107.35870	1.3
109.02938	1.6
109.06523	11.1
109.10157	9.3
111.08068	5.2
114.34900	1.3
116.98610	4.6
117.07013	14.3
119.04942	2.5
119.08583	31.4
121.02890	1.9
121.06488	3.9
121.10157	8.9
123.01198	4.1
123.04446	6.6
123.08045	8.3
123.11700	2.7
127.07549	3.0
128.06192	3.6
129.07014	18.4
130.07825	1.4
131.04913	2.1
131.08563	4.2
133.06448	1.9
133.10129	16.8
134.99615	1.7
135.08066	2.0
135.11714	6.6
135.82335	1.5
137.05956	2.6
137.09596	2.1
141.02202	3.4
142.07828	1.6
143.08571	10.7
145.10139	9.2
147.04390	5.1
147.08035	4.3
147.10518	2.0
147.11691	40.3
149.02364	1.4
150.02693	3.5
151.02811	2.5
156.09312	2.2
157.10191	2.4
158.99655	2.1
159.11696	2.5
161.09605	5.7
161.13274	17.9
161.25436	1.5
163.03871	1.9
163.11169	1.6
169.01720	5.0
171.11708	34.1
177.00739	2.7
187.02788	10.5
189.12782	14.6
197.01231	1.6
205.03867	2.9
207.13792	17.3
219.10138	3.6
246.07262	4.3
263.16449	2.1
263.20117	1.6
281.17471	64.0
281.83838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.91891	1.1
53.03947	8.7
55.01857	4.6
55.05514	33.7
55.38591	1.4
57.03438	31.0
57.07067	1.9
65.03931	4.4
67.05508	82.0
69.03423	4.2
69.07067	14.5
70.16543	1.1
71.04987	3.9
73.06546	2.1
79.05493	100.0
81.03416	15.3
81.07058	65.9
83.04984	35.2
83.08630	8.7
85.02873	1.3
85.06540	4.3
91.04898	2.7
91.05482	69.2
93.07047	75.6
95.04967	29.4
95.08607	34.8
97.02869	1.9
97.06516	6.4
97.10157	5.7
98.97599	1.8
99.08087	1.7
103.05486	2.3
105.04512	2.6
105.07033	49.9
107.04957	9.1
107.08590	26.9
109.06515	9.5
109.10151	7.2
111.08068	1.7
115.05419	1.3
117.07026	12.3
119.08589	31.7
121.06498	4.2
121.10166	6.0
122.22821	1.1
123.08066	11.7
123.11697	1.1
127.07549	3.0
128.06209	2.9
129.07008	19.5
130.07802	1.3
131.08537	4.3
133.06418	1.4
133.10121	15.9
135.11671	2.8
137.09605	1.4
143.08575	10.0
145.10130	12.4
147.08044	4.3
147.11696	46.4
159.11708	2.0
161.09653	6.0
161.13266	17.9
163.11070	1.6
171.11696	35.7
189.12737	12.6
207.13799	17.3
229.21922	1.8
237.77397	1.2
248.61070	1.5
258.05444	1.3
264.04358	1.3
281.17480	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	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03947	6.4
55.01862	5.1
55.05271	2.3
55.05515	35.0
56.96548	4.3
57.03440	26.4
57.07050	2.4
59.04992	1.6
59.46182	1.1
65.03921	3.6
67.05508	84.1
69.03429	3.2
69.07074	19.0
71.00906	2.5
71.04983	3.4
73.06554	1.9
79.05496	100.0
81.03423	17.0
81.07060	63.0
83.04986	33.7
83.08623	10.8
85.06535	3.4
91.05485	65.7
93.07047	79.4
95.04976	30.3
95.08611	44.4
95.09233	1.6
97.02882	2.2
97.06511	8.3
97.10153	4.6
98.97579	4.3
99.08083	2.9
103.05457	1.7
105.04515	2.7
105.07037	54.8
107.04972	9.1
107.08607	24.6
109.06532	10.4
109.10148	9.5
111.08075	3.2
115.05457	1.7
116.98647	1.6
117.07040	13.6
119.04929	1.3
119.08585	33.5
121.06501	2.5
121.09390	1.3
121.10118	6.7
123.08077	11.0
127.07545	2.6
128.06244	3.3
129.07011	21.0
131.04904	1.5
131.08531	4.1
133.06476	1.5
133.10150	15.5
135.11684	3.5
141.09058	1.4
143.08589	9.1
145.10144	13.1
147.04388	1.9
147.08057	5.2
147.11691	42.9
149.09608	1.4
159.11575	1.3
161.09634	5.5
161.13287	17.3
163.11212	1.7
171.11694	33.2
177.11426	1.3
177.12836	2.7
184.07127	1.1
187.02757	1.5
189.12723	12.2
206.87039	1.3
207.13785	18.1
281.17493	75.7
282.04364	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	279.2321
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.85585	0.5
52.81216	0.4
53.03948	0.7
55.05515	7.9
57.07075	4.5
57.70955	0.5
65.03951	2.3
67.05508	94.4
69.07071	8.6
70.82224	1.3
71.04993	1.5
71.08631	0.7
79.05065	0.8
79.05500	11.4
81.07061	100.0
83.04977	1.1
83.08622	4.3
85.02892	0.7
85.06548	1.1
91.05479	3.9
93.07048	11.4
95.05000	0.6
95.08611	77.8
96.09129	0.5
97.06540	1.6
97.10207	2.6
98.97557	0.4
99.08107	0.9
105.07049	3.2
107.08601	7.2
109.06553	1.6
109.10162	25.9
111.08092	1.0
111.11757	0.9
113.06055	0.6
117.07007	2.5
119.08556	2.5
121.02886	0.5
121.06490	0.6
121.10146	6.0
123.08089	1.5
123.11726	13.7
131.08575	6.3
133.10146	3.3
135.08151	0.5
135.11707	5.2
137.09650	1.4
137.13269	13.6
140.81360	0.5
145.10106	3.0
147.11685	2.9
149.02357	18.6
149.09627	1.7
149.13268	4.4
151.11310	0.5
151.14832	4.8
159.11711	3.0
161.13281	1.8
163.11200	1.9
163.14857	1.5
165.12718	0.7
165.16467	0.8
167.10721	1.1
173.13272	6.7
175.14705	0.5
177.12794	2.3
177.16422	1.1
179.14366	1.0
181.12273	2.0
187.14801	3.1
191.14293	2.8
195.13789	3.5
205.08664	0.5
205.15912	0.8
209.15390	4.0
219.21207	0.9
222.90576	0.5
223.16983	4.3
228.10149	0.5
237.18602	0.7
243.21017	2.5
247.10922	0.6
248.65796	0.5
250.83299	0.4
261.22113	2.5
278.87622	0.6
279.23212	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06673	1.6
50.43129	1.9
53.03946	2.9
55.01878	2.2
55.05510	5.1
57.03440	2.9
57.07079	81.1
61.02938	4.5
63.04497	36.1
63.10563	1.7
69.03436	11.6
69.67180	4.8
69.67601	6.4
73.02916	2.6
76.69880	1.8
76.81198	1.6
79.05484	3.6
81.03403	5.9
81.07067	2.6
83.04980	5.2
85.02916	35.2
91.05479	7.6
93.07036	8.6
97.02911	9.4
98.21575	3.1
98.97576	5.3
101.06003	2.4
101.09624	3.2
105.07026	5.6
107.04908	1.8
107.08605	3.6
109.02872	9.6
110.63336	1.9
110.97511	2.4
119.08533	2.6
119.10705	100.0
120.08119	3.3
121.06493	2.0
127.03918	5.6
135.08000	1.8
135.11693	3.3
137.06007	3.2
137.09572	1.7
138.75853	1.9
147.04413	4.7
147.08012	2.4
151.07460	1.7
158.99706	2.4
160.44110	1.8
161.09625	1.5
163.11174	4.3
181.04948	2.0
181.12250	3.4
192.95567	2.0
219.01950	2.1
251.09195	2.0
281.10300	3.8
281.17477	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	279.1591
Annotation	Hyrtiosenolide B
Peak:m/z	Relative Intensity
53.03926	1.4
55.01860	3.9
55.05503	5.0
57.03430	3.4
57.07077	13.8
61.02922	3.9
65.03931	1.7
67.05521	8.8
69.03431	10.7
69.07057	3.8
71.01357	2.1
71.02068	3.5
71.04991	5.6
73.02902	3.8
73.06561	1.4
78.61787	1.3
79.05508	8.7
81.03424	7.1
81.07068	12.7
83.04970	4.5
85.02872	6.5
86.09720	2.7
87.96134	1.3
89.06023	6.0
91.05482	15.0
93.07049	26.7
95.04968	4.9
95.08604	7.8
97.02927	6.5
97.06509	1.6
98.97595	1.5
99.04436	2.3
103.03934	2.5
105.07037	30.9
107.04940	3.9
107.08604	20.9
109.02874	2.7
109.06506	3.5
109.10150	6.0
111.04417	3.5
115.03942	2.8
115.05455	1.5
117.07038	9.5
119.04921	2.1
119.08578	18.6
120.08104	1.6
121.02834	4.0
121.06522	7.6
121.10151	7.1
123.04449	2.4
123.08088	3.2
127.03931	2.5
129.05437	2.1
129.07031	7.4
130.07822	2.2
131.08572	20.1
133.06445	3.2
133.10127	18.9
135.08041	2.8
135.11691	12.6
137.05971	2.1
137.09494	1.7
141.06967	3.1
142.07756	4.4
143.08580	9.3
144.09354	2.7
145.06462	3.5
145.10144	14.6
146.07201	1.8
147.08067	6.5
147.11719	15.8
149.02348	100.0
149.09584	3.6
151.11153	1.3
153.05470	1.9
155.08554	5.1
156.09294	1.8
157.10118	9.0
159.08049	5.7
159.11703	14.1
161.09633	4.8
161.13243	5.7
163.07579	2.6
163.11197	8.4
164.89427	1.6
169.10101	3.9
171.11638	7.9
173.09584	5.0
173.13260	4.8
175.11214	4.3
177.09116	2.4
177.12700	6.1
183.11659	3.4
185.09581	2.0
185.13321	1.7
187.07516	1.6
187.11188	5.4
187.14830	1.6
189.09082	1.4
189.12747	9.1
197.13303	2.3
201.09058	2.2
201.12737	4.9
203.14333	2.3
205.08682	1.8
213.12727	3.7
215.14255	5.0
219.13805	5.0
221.11725	2.3
225.12689	3.4
231.13814	5.6
233.15289	1.9
243.13846	12.8
249.14842	2.6
261.14853	25.9
279.15906	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.17728	0.4
53.03943	1.0
55.01868	0.5
55.05513	6.8
57.03448	0.9
57.07077	15.4
59.98733	0.4
65.03937	2.9
67.05508	72.5
69.07071	8.1
69.48793	3.2
70.66509	0.4
71.04996	0.9
72.88420	0.4
73.05402	0.4
79.05490	9.0
81.07060	74.7
83.04996	1.3
83.08622	4.3
85.06546	1.5
91.05478	4.2
93.07043	10.4
95.04991	1.1
95.08612	58.8
97.06532	1.8
97.10176	3.3
98.97566	1.1
99.04461	0.5
99.08094	0.5
100.30737	0.4
105.07049	3.1
107.08602	6.7
109.06510	1.1
109.10163	34.8
111.08058	0.6
111.11742	1.1
113.05972	0.8
113.41330	0.4
113.43285	0.4
116.98659	0.6
117.07026	1.0
119.08556	2.6
121.02870	4.4
121.10140	6.9
123.08083	0.8
123.11717	18.3
125.09618	0.5
131.08586	3.2
133.10141	2.6
134.99733	0.6
135.08118	0.8
135.11708	4.0
137.09644	1.5
137.13264	8.4
139.11142	0.5
145.10135	2.6
147.11681	3.0
147.84700	0.5
149.02350	100.0
149.09608	1.3
149.13231	2.2
150.02762	0.6
151.11247	0.7
151.14809	2.2
159.11713	1.6
161.13242	2.0
163.11221	1.5
163.14818	1.5
165.12788	1.6
167.03406	1.2
167.10658	0.6
173.13272	2.9
177.00795	0.7
177.12775	1.7
177.16414	0.8
179.14275	1.3
181.12279	1.6
187.14822	2.7
190.05028	0.8
191.14336	1.5
195.13785	2.1
198.63445	0.4
200.67801	0.4
201.16516	0.5
205.08635	1.1
205.15895	0.6
209.15378	2.6
217.19423	0.5
219.05733	0.8
219.21014	0.8
223.09648	0.7
223.17038	2.3
224.84888	0.5
237.18437	0.8
243.21051	3.7
261.18350	0.5
261.19589	0.5
261.22153	4.8
279.09332	1.8
279.19803	2.9
279.23193	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68853	2.5
56.96555	10.8
68.49207	2.9
71.55515	4.0
91.93081	2.4
93.45055	2.7
98.97589	100.0
110.97583	26.3
116.98627	27.7
128.98592	11.2
134.99631	6.2
146.99588	2.9
158.99670	50.5
170.99641	13.0
177.00739	33.2
189.00737	18.3
200.59247	2.9
207.01839	7.3
219.01793	12.1
223.50287	2.7
237.02895	21.2
255.03844	10.4
279.04712	33.2
297.04901	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	279.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01873	1.7
55.05529	1.7
55.30964	0.7
57.03446	5.5
57.07060	3.2
61.02928	7.8
65.03908	0.8
69.03428	14.1
71.01360	0.7
71.04998	2.0
71.38683	0.7
73.02917	2.7
79.05495	7.0
81.03444	4.6
81.07056	100.0
83.01331	0.9
85.02908	86.4
87.04484	1.0
91.03960	2.8
97.02896	19.9
99.04450	3.6
99.08096	74.0
101.02381	1.1
103.03983	0.9
109.02872	6.3
115.03930	1.2
117.09151	1.9
119.47289	0.7
127.03921	18.0
145.04962	21.6
146.95651	0.8
149.02348	23.0
149.03506	1.3
163.06013	5.0
183.94098	0.9
225.11203	0.7
238.62953	0.8
266.19705	0.8
294.00189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69143	0.4
56.96564	21.4
58.91383	0.4
64.98837	0.4
71.35548	0.7
71.95264	1.3
74.97606	0.6
78.26263	0.4
84.02530	0.5
84.66241	0.4
84.96031	9.0
86.97589	1.2
98.97583	80.7
101.00887	2.1
102.97034	0.4
103.23972	0.4
108.45834	0.4
110.97562	7.4
112.99116	5.5
114.97096	0.7
116.98619	17.4
119.01906	2.2
124.99118	17.0
126.97030	1.1
128.98595	4.2
131.00203	2.0
134.99678	1.5
136.99101	0.5
139.00606	0.9
140.00235	0.7
140.98592	9.7
143.00163	27.0
143.01947	1.5
144.98071	1.6
145.03447	0.9
155.00191	1.7
156.98120	0.8
157.01746	0.8
158.99657	26.8
161.01231	8.1
161.02963	2.3
166.01837	0.7
170.99596	0.5
173.01263	0.6
174.99158	1.2
177.00719	15.9
182.99641	0.5
189.00813	0.7
189.02480	0.9
195.01823	0.9
200.02251	0.6
201.00742	1.8
203.03896	0.5
207.01703	0.6
218.99904	0.4
219.01753	17.1
237.02815	100.0
237.63487	0.4
239.05910	0.5
255.03873	66.4
257.02606	0.5
260.04401	1.2
261.04440	0.6
273.04944	2.0
278.05280	0.7
279.03824	50.4
297.04926	36.1
297.08423	0.8
298.05402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	0.7
56.96566	11.9
57.03436	0.6
57.07067	2.2
61.02931	1.5
69.03423	2.4
69.93317	2.3
70.06581	0.7
71.05000	1.0
71.95274	1.2
73.02912	1.4
77.55727	0.5
81.03423	0.8
81.07061	0.9
84.08156	0.7
84.96042	2.4
85.02920	4.4
86.97598	0.8
88.34248	0.5
97.02887	2.8
98.97586	100.0
101.00889	0.7
102.96880	1.4
107.04945	0.7
109.02886	0.8
110.01247	0.6
110.97570	19.3
112.99144	2.4
115.02380	0.6
116.98619	27.9
119.01877	1.2
120.97904	0.5
121.02888	0.6
124.99100	3.3
127.03925	1.1
128.98613	12.9
131.00121	1.0
134.99673	4.8
140.00168	0.7
140.98608	2.5
143.00165	6.4
143.01862	0.7
144.98131	0.6
145.03423	0.6
145.04979	1.2
146.99660	3.6
149.02338	17.7
150.00119	0.5
152.98683	0.6
155.00174	0.7
158.99660	42.9
160.06609	0.9
161.01242	2.1
161.04626	1.1
169.04404	2.3
170.05193	2.3
170.99664	11.4
173.01215	0.9
175.02887	0.5
176.03250	0.5
177.00720	35.9
182.99628	0.6
189.00729	20.9
194.97740	0.5
195.01694	1.5
199.02727	0.5
200.02284	1.0
201.00681	2.1
201.02397	0.5
207.01744	10.4
212.02240	0.6
219.01767	10.2
219.05167	1.1
231.01797	0.9
233.05019	0.9
237.02818	27.5
249.02821	1.0
251.00491	0.7
254.05714	0.6
255.03893	17.8
256.03186	0.9
261.02704	0.9
274.04120	0.6
278.96768	2.4
279.00870	1.2
279.03857	19.1
296.97552	0.7
297.04871	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	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69143	0.4
56.96564	21.4
58.91383	0.4
64.98837	0.4
71.35548	0.7
71.95264	1.3
74.97606	0.6
78.26263	0.4
84.02530	0.5
84.66241	0.4
84.96031	9.0
86.97589	1.2
98.97583	80.7
101.00887	2.1
102.97034	0.4
103.23972	0.4
108.45834	0.4
110.97562	7.4
112.99116	5.5
114.97096	0.7
116.98619	17.4
119.01906	2.2
124.99118	17.0
126.97030	1.1
128.98595	4.2
131.00203	2.0
134.99678	1.5
136.99101	0.5
139.00606	0.9
140.00235	0.7
140.98592	9.7
143.00163	27.0
143.01947	1.5
144.98071	1.6
145.03447	0.9
155.00191	1.7
156.98120	0.8
157.01746	0.8
158.99657	26.8
161.01231	8.1
161.02963	2.3
166.01837	0.7
170.99596	0.5
173.01263	0.6
174.99158	1.2
177.00719	15.9
182.99641	0.5
189.00813	0.7
189.02480	0.9
195.01823	0.9
200.02251	0.6
201.00742	1.8
203.03896	0.5
207.01703	0.6
218.99904	0.4
219.01753	17.1
237.02815	100.0
237.63487	0.4
239.05910	0.5
255.03873	66.4
257.02606	0.5
260.04401	1.2
261.04440	0.6
273.04944	2.0
278.05280	0.7
279.03824	50.4
297.04926	36.1
297.08423	0.8
298.05402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.37655	1.3
50.49993	1.3
53.03945	4.4
54.36148	1.2
55.05263	1.8
55.05512	18.8
57.03453	8.3
57.07067	2.6
64.09001	1.6
67.05507	36.7
69.03413	1.5
69.07072	18.0
70.93375	2.8
70.93698	1.8
71.04999	2.6
76.50265	1.4
77.03949	1.9
79.05495	68.0
81.07059	42.0
83.05010	2.7
83.08642	6.9
83.09052	1.5
85.06557	3.4
91.05485	27.9
93.07050	92.2
95.04964	4.3
95.08613	34.1
97.06527	4.6
97.10178	3.6
99.08047	2.0
105.04558	2.4
105.07031	18.1
107.08595	52.9
109.06516	3.4
109.10164	14.2
111.08044	1.7
117.07017	4.1
119.08582	16.3
121.10153	50.1
123.08035	2.6
123.11717	4.5
129.06998	2.8
131.08572	7.2
133.10135	15.4
135.07962	2.0
135.10718	2.8
135.11705	47.0
137.09645	2.4
143.08543	3.8
145.10144	9.1
147.11690	11.2
149.09590	2.6
149.13255	22.7
151.11148	2.0
152.45595	1.4
157.10139	3.9
159.11687	5.6
161.13277	6.5
163.11179	2.8
163.14809	4.5
167.10678	1.9
169.98276	1.4
171.11703	3.3
173.13286	2.7
175.14763	2.9
185.13237	3.4
185.97975	1.7
187.14790	6.6
195.13943	1.7
199.14839	2.2
203.14278	1.5
203.17780	2.1
205.15764	3.2
207.10100	1.6
207.13791	2.1
213.16364	3.0
217.15878	2.0
221.15446	2.6
221.18938	2.1
235.16962	4.3
241.19519	3.9
259.20636	9.1
267.20914	1.6
277.18179	7.8
277.21622	100.0
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	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03942	3.4
55.01863	1.7
55.05266	1.4
55.05511	19.3
56.96555	2.2
57.03421	1.3
57.07081	6.2
59.04996	3.7
65.03933	0.9
67.05508	25.1
69.03432	15.1
69.06722	1.4
69.07066	17.3
71.05000	8.9
71.57088	1.3
74.89626	0.7
77.03922	1.1
79.05495	23.3
81.03423	5.0
81.07058	51.3
81.14202	0.7
83.04986	16.6
83.08628	10.3
85.06551	14.5
91.05477	15.3
93.07045	53.7
93.91393	0.8
95.04958	6.3
95.08609	34.4
97.02881	0.8
97.06536	7.5
97.10169	3.1
98.97588	3.0
99.08098	2.3
103.05457	0.8
105.07039	32.0
107.04980	4.9
107.08597	41.4
109.06509	14.1
109.10162	40.6
111.08085	10.6
113.09643	17.6
116.98611	0.9
117.06979	3.5
119.08585	37.0
121.06486	5.1
121.10146	56.9
122.07273	3.4
123.08049	6.0
123.11714	17.0
125.09618	8.9
127.11198	0.8
129.07005	1.8
131.08578	7.7
133.06491	1.8
133.10135	52.5
135.08038	5.4
135.11696	28.5
137.09624	31.0
137.10429	0.6
137.10699	0.9
137.13216	1.5
139.11180	11.4
142.07687	1.3
143.08556	3.6
145.10126	10.6
147.08012	4.7
147.11702	15.3
149.02350	28.8
149.09641	10.7
149.13258	11.3
151.03860	1.1
151.11189	37.8
153.12740	1.3
157.10135	4.0
159.11716	9.8
160.12389	1.0
161.09645	7.0
161.13271	13.3
163.03906	0.8
163.11183	3.2
163.14821	1.4
165.12779	5.2
167.14351	1.4
171.11700	5.0
173.13229	3.9
175.11252	4.8
175.14832	32.7
177.12700	2.7
179.14320	2.5
185.13252	9.0
189.12762	4.6
189.16267	2.1
193.15900	7.2
199.14764	4.1
201.16383	14.0
203.07233	0.9
203.14326	13.1
207.13776	1.6
207.17529	1.0
215.17909	1.9
217.15829	4.3
217.19550	3.2
219.17406	3.9
221.15356	1.6
231.21007	1.0
235.20502	1.1
241.19522	9.1
256.11502	1.4
259.20587	27.8
265.12030	1.1
277.14624	5.0
277.21628	100.0
290.97968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.04521	1.2
53.03939	2.9
55.01864	1.6
55.05516	16.3
57.07071	4.6
61.83412	1.0
61.83729	1.1
65.03926	1.2
67.05509	35.1
69.07073	16.3
69.88173	5.3
71.04996	1.6
71.08622	1.0
73.43839	1.0
79.05500	70.1
81.07066	36.0
83.08617	7.9
85.06548	2.1
91.05483	27.5
93.07050	100.0
95.04967	5.4
95.08062	2.0
95.08620	24.5
97.06519	2.0
97.10178	4.6
99.08076	1.5
103.83852	1.3
105.04520	2.5
105.07050	13.8
107.08604	48.3
109.06500	2.1
109.10163	17.3
111.08006	1.1
117.07004	3.0
119.08590	11.8
121.10155	45.7
121.67006	1.0
123.08080	1.2
123.11698	4.4
125.09600	1.2
129.06972	2.4
131.08589	3.8
133.10141	15.4
135.11699	67.0
143.08574	1.7
145.10118	3.9
147.11702	7.1
149.09613	2.0
149.13271	26.3
157.10101	1.3
159.11713	3.8
161.13260	3.5
163.11154	2.0
163.14870	7.3
167.10696	1.5
171.11668	3.4
173.13246	1.6
175.11185	1.2
175.14828	1.4
181.12280	1.9
185.13239	1.7
189.12755	1.6
195.13802	2.0
199.14853	2.4
207.13762	2.5
213.07896	1.2
213.16399	1.3
217.16026	1.3
221.15442	3.1
235.16960	3.8
241.19591	2.3
259.20654	3.4
277.21652	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03951	4.5
55.01856	1.8
55.05267	1.3
55.05512	17.2
57.07057	3.3
58.24229	0.9
65.03928	2.0
67.05508	31.7
69.07068	13.8
69.99404	1.9
69.99794	2.6
71.04990	1.7
77.03920	1.7
77.74792	0.9
78.20708	1.1
79.05496	75.1
81.06586	1.8
81.07056	34.1
83.04990	1.5
83.08606	7.6
84.06441	1.0
85.35151	0.8
86.92931	0.9
91.05483	27.1
93.07047	100.0
95.04976	5.9
95.08607	22.3
97.06531	1.8
97.10187	4.4
98.72210	0.9
105.04532	3.0
105.07037	14.2
107.08598	48.2
109.06517	1.2
109.10166	12.2
117.07020	3.5
119.08606	12.1
121.10149	37.8
123.11699	3.5
129.06993	1.7
131.00624	0.9
131.08577	4.5
133.10138	12.6
135.08087	1.5
135.11699	59.7
143.08455	1.7
145.10136	3.5
147.11676	6.5
149.09636	1.0
149.13269	25.4
157.10272	1.2
159.11690	3.8
161.13260	4.0
163.11171	1.6
163.14857	4.4
171.11749	1.4
173.13242	2.1
175.11147	1.3
175.14813	1.8
177.12712	1.2
181.12222	1.8
185.13304	2.4
189.12756	1.3
189.43703	0.9
193.12305	1.1
195.13855	2.1
199.14810	2.0
207.13658	1.4
213.16399	2.4
221.15364	2.3
235.16937	3.4
241.19530	2.6
259.20599	4.2
277.21628	77.2
278.69931	0.9
297.67737	1.0
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	Stearidonate
Peak:m/z	Relative Intensity
52.10023	0.6
53.03934	2.6
55.01876	4.0
55.05269	1.2
55.05514	15.2
56.67214	0.6
56.96555	2.4
57.03431	1.7
57.07080	5.0
57.96458	0.7
59.04999	0.6
65.03938	1.2
67.05508	37.2
69.03442	0.7
69.06731	1.1
69.07072	15.6
69.37022	0.6
71.04990	2.7
71.08616	2.9
77.03923	0.9
79.05498	50.2
79.84373	0.7
81.03410	2.5
81.07060	35.0
83.05002	3.5
83.08617	7.4
85.06529	2.9
91.05489	22.5
93.07049	69.0
95.04971	8.0
95.08610	23.9
97.06541	4.1
97.10166	4.2
99.08085	2.9
103.05492	0.9
105.04513	1.5
105.07037	15.3
107.04948	1.9
107.08604	34.8
108.05781	0.8
109.06544	3.4
109.10158	14.6
111.08081	1.9
111.11705	1.2
117.07017	3.7
118.06558	0.9
119.08601	11.5
119.36494	0.7
121.06505	1.2
121.10151	26.3
123.08090	1.8
123.11766	3.1
125.09615	2.1
129.07010	2.0
131.00148	0.9
131.08582	3.9
133.10127	11.0
135.08073	2.1
135.11702	30.6
135.57217	0.7
137.09610	2.2
139.11172	1.5
143.08580	2.6
145.10121	3.8
147.11679	8.8
149.02301	0.7
149.09656	0.9
149.13274	17.1
151.03949	0.8
151.11198	3.8
157.10126	2.5
159.11716	3.0
161.09654	0.9
161.13254	4.8
163.11166	2.9
163.14809	6.1
165.12732	1.8
171.11685	3.4
173.11958	0.9
173.13235	3.5
175.11215	1.7
175.14844	3.6
177.12778	1.6
179.10692	0.9
179.14264	1.5
181.12177	1.2
185.13306	2.2
187.14798	0.9
189.12709	1.1
193.12228	0.9
195.13786	1.1
199.14854	1.9
201.16486	0.9
203.14343	1.1
207.13766	3.3
213.07922	1.6
213.16396	0.9
215.18097	0.7
217.19617	1.5
218.46574	0.7
221.15324	2.7
231.08963	1.4
231.17598	1.0
231.20844	1.6
235.13353	1.1
235.16861	3.7
241.19527	4.2
249.22192	1.5
259.20581	7.8
259.23111	1.0
277.21637	100.0
278.21945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	37.1
70.98131	20.9
71.05918	21.8
74.22976	9.1
85.02893	14.4
97.02878	13.1
98.97582	57.9
101.00861	14.9
108.67545	8.4
110.97540	21.2
116.98579	17.3
119.01964	18.4
128.98579	16.8
143.01921	15.4
161.02927	20.2
183.84885	9.0
189.00713	9.6
219.01643	21.0
237.02844	24.7
245.05081	22.4
276.98184	10.2
277.03232	100.0
277.07596	35.5
295.06885	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.3
54.53570	0.9
55.01864	2.5
55.05273	0.9
55.05515	12.8
56.96562	1.5
57.03440	0.8
57.07067	3.8
59.04993	1.1
67.05180	0.9
67.05509	11.7
69.03426	2.3
69.07068	10.2
69.23842	4.7
69.24260	3.2
71.05000	8.6
71.08624	0.8
72.15115	0.7
79.05500	15.4
81.03413	2.3
81.07066	16.8
83.04978	3.8
83.08236	0.7
83.08637	7.5
85.06538	8.7
88.07624	1.2
91.05484	31.9
93.07052	17.9
95.04990	4.7
95.08614	14.2
97.06529	3.8
97.10164	1.9
98.97594	3.4
99.08115	2.0
103.05450	2.9
105.07037	55.6
106.08662	1.9
107.04958	2.0
107.08601	19.5
109.06526	31.7
109.10162	8.9
111.08097	6.2
115.05442	1.8
117.07030	11.0
119.04976	0.9
119.08586	37.6
121.06509	2.2
121.10146	14.8
123.08078	3.6
123.11726	3.2
125.09653	1.8
125.58348	0.9
128.06192	1.1
129.07033	3.8
130.07806	2.0
131.04919	3.3
131.08585	23.7
133.06500	1.1
133.10139	34.3
135.08052	11.3
135.11703	5.5
137.09605	3.8
139.11224	1.2
141.07034	1.6
142.07762	4.3
143.08582	7.7
144.09366	1.4
145.10138	28.2
147.08102	2.0
147.11697	21.7
149.09641	5.1
151.11208	2.0
153.01813	1.7
153.07030	1.0
155.08607	2.5
156.09329	1.9
157.10139	13.3
158.10886	5.9
159.08005	1.8
159.11700	24.6
161.09615	3.6
161.13242	6.8
163.11191	5.6
163.14842	1.3
168.09312	1.1
169.10129	4.3
170.10876	1.3
171.11697	8.8
173.09625	2.4
173.13268	31.7
174.14038	2.3
175.11244	7.0
175.14833	3.7
177.12782	3.9
182.10938	1.4
183.11708	8.8
184.12556	1.2
185.13286	3.6
187.11198	4.2
187.14825	7.8
189.12746	2.5
191.14287	4.1
193.15901	0.8
197.13258	7.5
199.14839	10.6
201.12729	5.5
203.14381	2.5
205.04967	1.3
205.15717	1.1
213.16405	3.8
215.14346	3.0
215.17929	3.4
217.15897	3.1
219.13751	1.6
224.15645	1.3
229.15726	1.0
239.18011	8.6
257.19019	28.7
275.09207	2.0
275.09662	1.4
275.12778	6.0
275.20084	100.0
275.27692	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	275.2735
Annotation	Kaurane
Peak:m/z	Relative Intensity
53.03942	2.1
55.05515	12.5
57.07085	8.4
60.39372	0.9
67.05505	23.0
69.07071	27.9
70.48682	2.6
71.04968	0.9
71.08634	4.3
79.05498	11.6
81.07061	100.0
83.08625	13.2
85.10165	2.1
91.05506	6.5
93.07047	14.1
95.08614	76.8
97.10165	10.6
105.07034	8.0
107.04955	1.3
107.08600	16.7
109.10162	47.5
111.11729	7.5
117.07058	1.0
119.08593	3.1
121.10144	10.5
123.08061	0.9
123.11708	23.7
125.13269	3.1
131.08589	2.2
133.10124	5.0
135.11708	8.5
137.13274	10.1
143.08528	1.3
145.10092	2.6
147.11646	3.0
149.09593	2.4
149.13274	7.5
151.14839	5.6
156.97505	1.0
159.11604	1.9
161.13261	1.0
163.14830	4.4
165.16428	2.9
176.98241	1.1
177.16425	1.5
191.41722	0.9
196.10541	0.9
212.99985	1.2
214.35034	1.0
214.99937	3.1
219.20959	1.4
229.19678	0.9
257.19043	2.1
275.20105	13.4
275.27386	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.34303	0.5
52.45427	0.6
53.03941	0.9
55.01862	2.2
55.05268	0.8
55.05515	9.9
57.03426	1.0
57.07062	2.2
62.11068	0.5
65.03938	0.9
67.05189	0.7
67.05511	11.1
69.07072	7.9
70.06594	2.6
70.11652	1.9
71.05006	0.9
71.06915	0.9
71.08614	1.1
77.06100	0.5
79.05497	13.0
81.07067	13.6
81.08101	0.6
83.04971	1.7
83.08630	4.3
84.58198	0.5
85.06536	1.4
88.07623	3.1
89.07976	1.4
89.96365	0.5
91.05488	25.8
93.07047	13.5
95.04979	2.0
95.08047	0.9
95.08610	8.7
97.06535	2.0
97.10173	1.9
98.20854	0.7
102.09175	0.8
103.05443	1.1
105.07036	41.5
106.08669	1.6
107.04953	2.1
107.08584	12.1
109.06518	1.8
109.10160	2.8
115.05473	0.6
115.23316	0.5
117.07008	7.4
119.08588	24.4
121.06509	1.5
121.10161	4.6
123.08077	1.2
123.11731	0.9
125.09629	1.1
129.07019	1.6
130.07814	0.9
131.08572	11.1
133.06493	0.7
133.10136	25.3
135.08043	2.5
135.11708	3.3
137.09608	0.7
143.08539	2.0
145.10144	11.7
146.57028	0.6
147.10509	1.1
147.11696	21.1
149.09624	5.2
151.11177	1.6
155.08557	0.8
157.10135	2.5
159.11703	7.8
161.09668	1.6
161.13245	4.3
163.11179	3.5
165.08998	0.8
168.09421	0.5
169.10118	1.0
171.11719	2.2
173.13290	3.9
175.11172	1.2
177.12679	1.1
183.11703	1.7
185.13228	1.5
187.11281	0.8
191.14297	0.8
197.13310	1.4
201.12781	0.7
203.14264	0.7
204.66988	0.6
205.12172	0.7
211.14877	0.9
215.17958	1.1
229.15814	0.7
229.19547	1.5
239.17943	3.5
247.20563	1.2
257.19037	9.8
257.26697	1.8
275.20078	100.0
275.27756	34.6
276.20309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.65089	0.7
53.03936	2.5
55.01858	3.2
55.05516	11.0
57.07076	1.1
61.83825	0.7
65.03938	1.7
67.05508	16.2
69.03426	1.3
69.07073	9.8
70.10193	1.3
70.10586	2.1
71.05000	1.6
79.05495	16.8
81.03407	1.8
81.06599	1.0
81.07065	18.9
83.04982	2.3
83.08620	4.3
85.06543	1.2
91.05487	29.9
93.06481	1.4
93.07050	20.1
95.04958	3.1
95.08606	13.0
97.06533	3.2
97.10157	2.3
103.05483	1.8
105.03374	1.4
105.07037	42.7
107.04964	3.1
107.08598	13.7
109.02922	1.3
109.06516	3.6
109.10170	6.9
115.05471	0.8
117.07021	9.2
118.07784	1.4
119.08587	29.4
121.06495	2.9
121.10153	7.2
123.08074	2.4
123.11730	1.2
125.09624	1.2
129.06961	2.3
131.04916	2.2
131.08557	12.1
132.09372	1.0
133.10135	29.2
135.08054	3.6
135.11717	3.8
137.09637	2.7
141.06956	1.3
143.08559	2.8
145.10136	12.1
147.07967	1.2
147.11707	17.1
149.09612	5.7
149.13254	1.8
151.11183	2.6
155.08627	1.6
157.10124	2.3
159.11688	7.3
161.09654	1.4
161.13237	4.7
163.11185	5.3
165.12735	1.3
169.10123	1.9
171.11726	2.4
173.13234	4.3
177.12749	1.9
183.11691	1.6
187.11191	1.1
187.14854	1.3
189.12715	1.0
191.14294	1.2
197.13248	1.7
199.14760	0.9
201.12793	1.3
205.12204	1.1
215.14404	1.2
229.15875	1.1
229.19528	3.9
239.17934	5.1
247.20500	3.1
257.19043	11.6
275.20071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.72324	0.7
53.03946	0.8
55.01868	1.8
55.05270	0.8
55.05514	11.2
57.03434	1.0
59.05003	0.7
61.28865	0.7
65.03934	0.9
65.99998	0.6
67.05508	11.7
69.07074	7.5
71.04996	1.3
79.05062	1.1
79.05498	12.7
81.07063	13.9
83.04967	1.6
83.08609	3.8
84.20485	0.7
85.06527	0.9
86.15971	0.7
91.05486	33.7
93.07040	11.8
95.04953	1.4
95.08620	8.8
97.06521	1.8
97.10158	1.8
103.05440	1.2
105.07037	51.2
107.04925	0.8
107.08605	9.3
109.06519	1.6
109.10137	3.3
111.08097	1.3
115.05481	0.8
117.07030	7.8
119.08586	25.2
121.06502	1.6
121.10153	4.6
123.08051	1.4
123.11682	1.3
125.09641	1.0
129.07039	1.5
131.08578	9.7
133.10139	30.4
135.08032	1.4
135.11670	1.9
143.08560	2.1
145.10123	14.1
147.11697	22.0
149.08569	0.8
149.09550	3.4
155.08589	1.1
157.10155	2.4
159.11708	6.3
161.09644	0.8
161.13228	4.4
163.11176	1.1
169.10120	1.4
171.11691	2.4
173.13277	3.3
181.12186	1.0
183.11688	1.6
185.13281	1.1
187.11317	0.8
197.13293	2.0
201.12825	1.1
203.14288	0.7
215.18042	0.8
219.13843	1.0
219.17508	2.7
229.19568	1.5
239.17986	2.7
257.18985	7.6
275.20081	100.0
276.20462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.6
55.01859	1.4
55.05270	1.0
55.05514	15.7
57.03437	0.9
57.07062	0.8
65.03946	0.8
66.15913	0.9
67.05508	14.8
69.03416	0.9
69.06728	0.9
69.07072	11.6
70.03378	3.3
71.04977	1.4
79.05070	1.2
79.05500	16.1
81.07066	18.7
83.04973	1.6
83.08645	3.7
85.06522	1.0
91.05486	49.1
93.07050	14.9
93.48981	0.8
95.04945	1.8
95.08615	12.1
97.06540	1.3
97.10153	2.8
102.65875	0.8
103.05464	1.3
105.07037	68.4
107.04951	1.9
107.08598	11.8
109.06496	1.0
109.10157	4.3
111.08047	0.8
115.05406	0.8
117.07026	10.9
119.08586	35.2
121.06518	1.8
121.10163	5.1
123.08080	1.0
125.09660	1.7
129.06987	3.0
131.08578	18.4
133.06485	1.0
133.10138	50.3
135.08037	2.1
135.11685	2.7
137.09621	0.9
141.07050	1.7
143.08562	3.4
145.10133	17.0
147.08046	1.2
147.11694	22.4
149.09673	5.4
149.13376	0.8
155.08586	2.7
157.10110	3.7
159.11699	7.6
161.09656	1.1
161.13274	5.0
163.11224	1.5
169.10133	2.0
170.39374	0.8
171.11711	3.6
173.09541	0.8
173.13210	5.0
175.11165	1.8
177.12764	0.9
179.10619	0.8
183.11725	2.8
185.13315	1.2
187.11253	1.0
187.14745	0.8
189.12718	1.2
196.12103	0.7
197.13286	2.9
201.12718	1.2
211.14835	1.3
229.19398	0.9
233.15408	1.2
239.17949	5.0
247.20424	1.1
257.18997	9.6
275.20074	100.0
275.27927	2.2
276.20395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.26593	0.5
52.68855	0.5
53.03940	2.0
55.01671	0.5
55.01878	5.9
55.05513	15.1
57.03434	1.5
57.07089	1.1
65.03928	0.9
67.05508	22.7
69.03421	1.2
69.07067	8.4
71.04983	1.8
71.57523	1.0
78.82366	0.6
79.05496	28.3
81.03418	1.4
81.07059	24.8
83.04980	2.2
83.08631	5.3
84.32890	0.5
85.06527	1.7
91.05487	36.0
93.07050	19.2
95.04958	3.4
95.08611	11.8
97.06538	8.7
97.10185	4.4
99.08109	0.6
103.05461	1.3
105.07035	49.7
107.04964	13.5
107.08601	19.3
109.06509	2.4
109.10162	9.1
111.08112	1.7
113.06002	0.7
115.05453	0.6
117.07023	10.0
119.08590	30.6
121.06509	2.4
121.10139	8.7
123.08075	1.6
123.11713	1.8
125.09658	3.2
129.07016	1.9
131.08580	12.2
132.63933	0.6
133.10136	31.8
135.08063	3.8
135.11722	3.0
137.09665	1.3
141.06969	0.7
142.07796	0.6
143.08546	2.1
145.06430	0.7
145.10135	10.5
146.10971	0.8
147.11696	16.7
149.09633	26.8
149.13269	1.4
151.11182	1.0
153.09108	1.6
155.08586	1.1
157.10101	2.7
159.11707	7.4
161.13281	5.1
163.11180	2.7
165.09126	1.0
167.10701	0.7
169.10126	2.2
169.12201	0.9
171.11687	2.4
173.11758	1.5
173.13264	3.2
175.11189	1.3
175.14842	0.7
177.12698	0.7
179.14307	0.8
183.11676	2.2
185.13226	0.9
187.11147	1.3
187.13280	1.0
187.14865	1.0
190.89214	0.7
197.13278	1.8
201.12622	0.7
205.12251	0.8
211.14845	1.3
213.00085	0.6
215.17960	1.5
219.17456	3.4
224.69028	0.6
229.15985	0.7
229.19533	5.1
239.17967	2.9
247.20628	2.0
257.19019	11.6
275.20081	100.0
275.27579	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	274.274
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
54.57339	0.3
57.07078	6.4
57.33478	0.2
58.06587	0.5
62.06073	0.5
70.05066	0.8
70.05477	0.5
70.06596	10.2
71.08630	2.9
74.06104	0.3
83.39338	0.2
85.10184	0.5
86.06053	0.2
88.07633	13.0
102.09183	4.0
106.08670	8.1
130.97397	0.3
144.02771	0.2
148.74449	0.2
187.43929	0.2
210.24371	0.2
212.23677	0.5
228.80209	0.2
230.24768	0.3
256.26349	5.9
274.27399	100.0
275.27618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33301	0.3
54.98641	0.3
56.96564	8.5
69.47408	0.6
69.47817	1.1
70.16370	0.2
70.95876	0.3
71.95269	2.3
78.61713	0.2
98.20646	0.3
98.97585	100.0
101.00874	0.8
116.98623	37.7
119.01922	0.7
130.93306	0.8
134.99658	8.6
135.00676	0.5
140.00165	1.0
143.01921	0.3
153.00729	0.4
154.93382	0.3
157.03474	0.4
158.01311	0.4
161.02954	0.7
172.94363	5.2
174.97639	0.2
177.00948	0.4
190.95390	2.9
191.04042	0.3
197.00940	0.3
197.95255	0.4
203.02498	0.6
208.96376	0.7
214.59941	0.3
214.95369	3.3
230.98483	0.3
232.96442	6.1
240.49573	0.3
249.99382	0.4
250.97466	1.8
256.96442	14.5
274.27316	0.4
274.97504	80.6
292.98550	34.5
297.99066	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02385	0.2
53.03939	0.6
55.01845	0.2
56.96559	0.2
67.01882	0.2
67.05516	0.2
69.03439	0.2
69.66932	0.4
69.67321	0.4
74.57121	0.1
77.03941	0.3
79.05487	1.0
81.03428	0.6
81.07040	0.2
85.02914	0.2
91.05507	0.4
93.07054	0.5
95.04980	0.5
97.90332	0.1
98.97559	0.2
103.05473	0.4
105.07023	0.3
107.04960	100.0
111.28053	0.2
116.17477	0.2
119.08588	0.2
121.02878	0.2
121.06493	0.3
121.10184	0.3
123.04440	0.5
127.03880	1.1
131.04956	0.9
139.03900	0.2
147.04425	0.8
149.05986	0.9
151.03889	1.4
164.40536	0.2
169.04971	11.5
275.09100	3.2
275.20227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01871	1.3
55.05275	0.8
55.05512	10.7
57.07062	0.7
58.83918	0.7
65.03925	1.2
67.05504	12.8
69.07066	6.3
69.97095	3.7
71.04975	1.3
73.38001	0.7
79.05073	1.1
79.05495	13.4
81.07063	14.3
83.04977	1.7
83.08614	5.1
85.06544	1.0
91.05487	33.4
93.07047	12.6
95.04944	2.0
95.08609	9.2
97.06537	2.0
97.10151	2.6
103.05457	0.9
105.07034	53.2
107.04942	2.1
107.08595	9.6
109.06560	1.5
109.10175	4.3
111.08117	0.9
111.99959	1.7
115.05489	0.7
117.07018	7.1
119.08586	29.4
121.00475	1.6
121.06472	1.1
121.10166	4.3
123.08098	1.1
129.06995	2.2
131.08569	12.9
133.10138	39.6
135.08008	0.8
135.11674	2.6
143.01740	1.4
143.08566	3.1
145.10138	14.6
147.11688	21.0
149.09607	2.9
155.08574	1.2
157.10106	2.6
159.11723	7.6
161.09589	1.2
161.13216	4.0
163.11153	1.6
167.99702	1.9
169.10162	1.3
171.11678	2.6
173.09612	0.8
173.13263	2.9
175.14842	0.8
183.11719	2.9
185.13319	1.4
197.13255	1.4
215.18033	1.0
217.02573	1.7
229.19479	1.1
238.20795	0.9
239.17972	2.4
252.04721	3.7
257.19019	10.6
275.20071	100.0
275.27863	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.53702	1.9
55.05507	13.2
57.07055	5.3
61.24473	1.9
63.03386	1.7
67.05505	20.2
69.07066	34.2
71.27546	2.0
71.27882	3.2
77.90865	1.7
79.05485	13.0
80.82637	1.8
81.07057	62.4
83.08626	14.0
91.05482	10.2
93.07046	32.7
95.08609	69.0
97.10179	8.2
105.07036	17.2
107.07877	3.2
107.08600	49.4
109.10155	49.9
111.11721	4.8
119.08577	18.0
121.09322	3.4
121.10151	43.3
123.11712	38.1
133.10136	15.2
135.11691	28.9
137.13261	9.5
147.11682	18.2
149.13254	42.5
151.14822	8.1
161.13248	27.4
163.14847	26.7
165.16420	3.1
165.48518	1.8
175.14813	14.6
177.16376	15.9
181.25749	1.6
189.16428	16.8
191.17949	12.5
203.17989	18.9
217.19525	27.3
231.21106	3.8
273.16473	2.4
273.22791	4.0
273.25778	100.0
277.80914	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.23614	0.8
50.91993	0.9
53.03943	2.6
55.01883	5.3
55.05510	9.4
56.96563	1.0
57.03438	1.2
57.07079	2.2
65.03930	0.9
67.05508	19.2
69.03427	2.6
69.07072	10.0
70.92668	0.8
71.05000	1.6
71.56894	1.0
79.05496	20.7
81.03419	4.9
81.07061	20.8
83.04978	3.1
83.08627	3.9
85.06552	1.6
91.04910	1.4
91.05487	26.7
93.07047	15.9
95.04974	9.8
95.08616	26.1
97.06535	1.8
103.05507	1.5
105.03351	1.0
105.07034	26.5
107.04951	9.6
107.08605	10.6
109.06521	7.4
109.10153	4.0
111.04469	1.8
111.08084	2.0
115.03941	1.2
115.05466	2.9
116.06230	0.9
117.07030	12.2
119.04936	2.6
119.08586	21.6
121.06499	6.6
121.10158	4.6
123.04467	2.2
123.08073	9.2
128.06203	2.9
129.07018	8.1
130.07806	1.2
131.04897	1.3
131.08571	17.2
133.06491	7.6
133.10139	14.9
135.08070	11.9
135.11678	2.2
137.09633	8.3
141.07025	1.8
142.07773	2.0
143.08546	9.7
145.06509	3.9
145.10124	15.8
146.07210	1.5
147.08064	7.5
147.11707	4.7
149.09604	8.1
149.13283	1.2
151.07581	0.9
151.11227	2.0
153.01878	1.2
155.08589	1.7
157.06491	1.0
157.10141	10.0
159.08052	4.8
159.11699	8.1
160.08949	1.1
161.09631	20.9
161.13266	1.6
163.07578	1.1
163.11201	3.1
167.08548	1.3
169.10107	2.8
169.53032	1.0
171.08057	1.6
171.11716	8.2
173.09651	3.2
173.13272	3.1
175.11180	11.9
177.09117	2.9
177.12762	1.1
179.10707	1.0
181.10112	2.9
183.11757	1.5
184.12688	0.9
185.09618	2.7
185.13217	4.4
187.11227	2.4
189.12753	3.7
191.10594	1.6
195.11728	3.4
198.91167	0.9
199.11258	4.7
199.12779	1.2
199.14738	0.9
201.12613	0.9
203.10645	1.1
205.12256	1.6
209.13347	1.5
211.14973	1.3
213.12769	3.1
213.16389	3.2
217.12216	1.8
227.17969	5.6
231.13875	1.2
237.16328	4.8
245.19006	6.2
255.17450	19.8
267.17108	1.0
273.07535	1.6
273.18518	100.0
273.29825	2.5
274.27332	1.0
275.97812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2425
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.03939	3.6
55.01870	3.2
55.05515	14.3
56.96544	2.2
57.07074	10.4
67.05505	23.8
69.03423	2.2
69.07069	19.0
71.04975	3.0
71.08611	4.3
75.38722	1.8
79.05485	16.5
81.07056	22.4
83.04971	4.0
83.08617	10.9
85.10149	2.3
91.05486	22.3
93.07047	19.0
95.04981	4.6
95.08607	17.3
97.06542	3.4
97.10172	5.3
98.20699	3.2
99.08016	1.9
105.07037	27.8
107.04929	5.0
107.08602	14.8
109.06518	4.6
109.10150	9.0
111.08097	2.9
116.90945	2.1
117.07023	16.3
119.04898	2.2
119.08595	19.5
121.06517	7.2
121.10144	9.3
123.04417	2.5
123.08060	3.1
125.09643	4.1
128.06319	2.8
129.07013	7.5
130.07802	2.5
131.08583	22.3
133.06493	6.1
133.10135	11.6
135.08029	7.2
135.11684	7.3
137.09621	3.9
143.08565	8.2
145.06473	3.4
145.10127	19.9
147.08037	9.8
147.11707	5.3
148.08942	2.0
149.09654	4.7
149.13286	6.5
153.12785	2.1
155.08653	1.8
157.10121	9.3
159.08095	4.4
159.11717	10.2
161.09619	11.3
161.13261	2.5
163.14819	3.2
167.14328	2.4
169.10031	2.2
171.11722	8.0
172.01102	2.2
173.09616	2.7
175.11224	6.4
177.09216	2.2
181.10266	1.8
185.13333	2.3
187.11153	3.5
203.14343	2.0
219.21146	8.5
227.17979	4.3
237.16417	2.7
237.22070	2.6
245.18997	7.7
255.17459	11.0
273.18533	100.0
274.27509	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	273.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.8
55.01855	1.3
56.96566	11.9
57.03418	2.8
59.92900	0.7
61.02911	3.2
62.90706	0.7
64.93558	0.8
69.03433	7.2
69.92534	2.0
69.92926	1.3
71.04997	1.2
73.02920	5.9
81.03401	2.9
81.04511	0.7
84.96013	2.9
85.02907	20.8
86.03200	0.8
87.04457	1.5
88.34446	0.7
91.03954	1.0
92.04991	5.1
92.37198	0.7
93.05322	4.0
97.02892	7.6
98.97592	10.6
99.04406	2.4
101.00843	2.9
109.02888	2.0
109.68362	0.7
110.06052	9.6
110.97560	2.6
111.05661	1.0
111.06367	9.2
112.99135	1.5
113.00864	1.3
115.00669	1.0
116.98612	4.3
119.01876	2.4
123.04428	0.9
127.03922	6.8
128.98587	2.0
129.02151	0.9
131.00160	0.9
131.01886	2.2
133.03459	1.5
133.06461	1.3
134.99675	0.9
138.03445	1.1
141.16272	0.7
143.00159	1.0
143.01907	11.7
145.03419	1.3
145.04939	2.9
145.82889	0.7
146.99649	1.1
153.03844	1.1
155.01866	4.9
155.52890	0.7
157.03465	0.9
158.99609	1.6
159.03233	1.8
161.01602	0.8
161.02950	6.8
161.04291	0.9
162.04501	1.4
165.03989	0.8
170.05180	3.5
172.94315	2.4
173.02945	4.8
174.04509	3.7
175.04518	0.8
177.00754	0.8
177.04346	1.1
183.05008	5.1
183.55139	0.9
185.02956	2.4
189.00795	1.1
190.95361	1.3
191.03867	1.0
191.54022	0.9
192.05583	4.4
203.04002	5.3
205.03778	1.5
213.06099	0.9
219.01704	1.9
221.05119	2.0
223.04811	0.8
230.98045	4.3
231.01630	1.2
232.96532	0.9
233.05159	1.2
237.02776	1.3
245.05038	2.7
248.99205	7.5
263.06140	10.2
264.06281	1.2
267.00278	3.5
272.96017	1.6
273.09415	100.0
275.06152	1.1
286.09769	0.8
290.97183	1.4
291.00159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
57.87183	0.5
63.43930	0.5
67.01864	2.2
67.05502	0.8
68.99802	1.8
69.03432	1.7
69.07087	0.7
71.04994	0.5
71.53973	0.5
79.05488	0.9
81.07069	1.4
83.01321	0.5
83.05042	0.5
91.05480	8.0
93.07071	1.7
95.04974	2.7
97.02906	1.1
97.06532	0.7
98.97569	0.8
99.04443	0.7
99.66243	0.6
105.07034	1.3
107.04961	2.5
107.08589	1.2
111.00778	1.5
111.04469	0.6
119.04945	16.1
121.06544	0.9
123.04439	11.3
130.06554	0.8
132.08138	0.7
135.11665	0.7
145.10042	0.6
147.04416	45.7
151.03914	1.1
153.01831	100.0
159.09181	2.2
170.06001	0.9
171.02873	2.3
172.17708	0.6
179.03474	1.0
181.06512	0.9
185.07130	1.1
189.05415	1.3
227.08165	1.1
245.09244	1.4
255.06577	1.0
270.49884	0.6
273.07571	87.3
280.76514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01863	0.5
55.05497	0.4
56.96563	1.5
57.03437	0.6
62.04942	0.3
65.03942	0.5
66.79779	0.3
67.01868	2.1
68.99790	1.8
69.03432	1.9
70.40916	1.1
73.02927	0.8
75.02692	0.3
79.05500	0.6
81.03403	0.5
81.07054	0.6
83.01335	0.3
83.04990	0.4
84.95998	0.5
85.02902	0.5
91.05482	6.2
93.07037	0.5
95.04966	1.4
97.02922	2.4
98.50945	0.3
98.97594	2.2
103.05463	0.8
105.07063	0.5
107.04955	2.6
107.08586	0.8
110.97571	1.0
116.98639	0.4
119.04945	17.3
121.06498	0.7
123.04440	7.2
127.03934	0.5
128.98628	0.7
132.27066	0.3
133.10039	0.4
135.11771	0.4
143.00189	0.5
147.04416	44.0
151.03918	1.1
153.01833	100.0
155.00279	0.4
170.99667	1.1
171.02884	2.7
173.01131	0.5
177.02249	0.6
179.03435	0.9
188.50911	0.4
189.05504	1.3
192.07274	0.4
213.09349	0.4
231.06665	0.7
238.03044	0.4
252.02866	0.4
255.06570	0.8
261.03369	1.0
261.53708	0.7
273.07574	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03940	0.6
55.01863	0.5
55.05497	0.4
56.96563	1.5
57.03437	0.6
62.04942	0.3
65.03942	0.5
66.79779	0.3
67.01868	2.1
68.99790	1.8
69.03432	1.9
70.40916	1.1
73.02927	0.8
75.02692	0.3
79.05500	0.6
81.03403	0.5
81.07054	0.6
83.01335	0.3
83.04990	0.4
84.95998	0.5
85.02902	0.5
91.05482	6.2
93.07037	0.5
95.04966	1.4
97.02922	2.4
98.50945	0.3
98.97594	2.2
103.05463	0.8
105.07063	0.5
107.04955	2.6
107.08586	0.8
110.97571	1.0
116.98639	0.4
119.04945	17.3
121.06498	0.7
123.04440	7.2
127.03934	0.5
128.98628	0.7
132.27066	0.3
133.10039	0.4
135.11771	0.4
143.00189	0.5
147.04416	44.0
151.03918	1.1
153.01833	100.0
155.00279	0.4
170.99667	1.1
171.02884	2.7
173.01131	0.5
177.02249	0.6
179.03435	0.9
188.50911	0.4
189.05504	1.3
192.07274	0.4
213.09349	0.4
231.06665	0.7
238.03044	0.4
252.02866	0.4
255.06570	0.8
261.03369	1.0
261.53708	0.7
273.07574	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
50.01590	0.2
51.02387	0.5
53.03940	0.5
55.01863	0.2
65.03958	0.2
67.05504	1.0
68.99796	0.9
70.88071	0.2
70.88389	0.2
75.14035	0.1
77.03923	1.4
79.05498	0.4
79.16537	0.1
81.07059	0.7
91.05489	0.3
93.07037	0.2
95.04961	1.2
98.97620	0.3
105.03389	1.6
105.04525	0.3
105.07054	0.2
107.04968	0.5
107.08620	0.2
109.06533	0.5
109.10158	0.3
111.00813	1.7
115.05434	0.2
117.07033	0.2
119.04945	0.3
123.04434	100.0
123.11703	0.4
124.04802	0.3
127.03948	0.2
133.10121	0.4
135.04408	1.3
139.03909	1.6
143.04919	0.2
145.06505	0.3
147.04419	5.8
148.05170	0.2
151.03893	1.3
151.11203	0.6
153.07002	0.3
157.06535	0.2
161.06007	0.5
163.03900	1.9
163.07547	1.2
181.06500	0.2
187.07625	0.2
189.05496	1.5
199.07561	0.5
213.05458	0.2
227.07043	0.4
231.06702	0.2
245.04442	0.2
255.06541	0.9
271.93390	0.2
273.07584	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	272.1132
Annotation	Deidaclin
Peak:m/z	Relative Intensity
53.03954	0.7
55.01868	0.6
55.05510	0.6
56.96568	7.7
57.03445	2.8
61.02939	3.9
65.03939	3.5
67.05515	0.4
69.03433	5.2
69.88008	1.2
69.88434	0.7
70.06593	0.6
70.98131	0.5
71.04998	1.3
73.02913	3.5
80.05038	0.5
81.03429	2.3
81.07029	0.6
84.96033	1.5
85.02912	14.7
87.04483	1.5
91.03957	0.9
92.05011	49.4
93.05794	4.7
94.06567	8.0
97.02301	0.6
97.02899	5.5
98.20837	0.6
98.97590	11.8
99.04467	1.4
101.00888	0.9
101.02362	0.6
103.00651	0.6
103.03941	0.5
109.02887	1.8
110.01275	0.7
110.06049	100.0
110.97566	1.3
111.02143	0.4
112.99158	1.2
115.00691	1.0
115.02390	0.5
115.03825	0.5
116.98640	3.9
119.01875	1.4
124.95512	0.5
124.99124	2.3
127.03923	3.5
128.98621	1.7
131.00200	1.2
131.01886	0.5
140.98587	0.8
143.00168	2.3
143.01913	1.0
143.05646	0.5
144.98120	0.7
145.01665	0.8
145.05013	2.2
146.02359	0.9
146.99620	0.6
152.07030	2.1
153.05803	1.5
154.03819	0.9
155.02875	0.9
155.04648	0.9
155.54811	0.5
158.99724	2.7
159.00987	0.6
160.03838	0.9
161.01245	1.7
161.02902	0.8
161.06602	1.3
162.03612	0.7
162.06439	0.8
163.04326	0.5
169.04269	2.2
170.05161	0.5
170.99602	1.0
173.01259	0.8
173.02829	0.5
174.99269	0.5
175.02892	0.5
176.06970	0.4
177.00766	0.9
177.04173	0.7
178.04893	2.2
182.03403	2.2
182.99686	0.4
185.06697	0.5
186.99147	0.7
189.00685	1.0
191.03888	3.6
200.04462	0.8
201.00670	1.0
203.07706	0.5
205.00201	1.2
212.07397	0.5
212.09248	0.6
215.07889	0.5
219.01817	1.9
223.01299	1.0
227.04913	0.6
227.06946	0.5
230.98177	1.0
231.01756	0.6
231.07396	0.7
237.02975	0.7
248.99246	3.0
249.02887	1.0
249.08214	0.7
254.10260	1.9
261.02707	0.6
263.06067	1.3
267.00342	1.9
272.06509	1.8
272.11310	33.3
272.16080	1.8
273.09418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1131
Annotation	Deidaclin
Peak:m/z	Relative Intensity
51.07996	0.4
52.60171	0.3
53.03941	1.0
55.01871	0.9
55.05513	0.8
56.43228	0.4
56.96575	2.7
57.03437	1.9
61.02930	3.2
65.03940	1.7
67.05504	0.4
69.03437	6.4
69.49339	1.0
69.49749	1.9
70.06609	1.9
71.04990	1.6
72.08148	0.4
73.02921	2.2
75.02686	0.3
76.91260	0.3
79.05484	0.9
81.03421	3.0
81.07081	0.4
83.05002	0.4
84.96033	0.4
85.02910	20.9
86.06065	0.5
86.09710	0.7
87.04478	0.7
87.39602	0.3
91.03951	1.5
92.05008	6.0
93.03423	0.6
97.02903	6.4
98.97594	5.9
99.04465	1.3
102.02878	0.4
103.03965	0.4
105.03419	0.5
106.06578	2.7
107.04955	0.4
109.02884	1.5
109.05281	1.7
110.06050	100.0
110.97578	1.0
111.04436	0.7
116.07124	0.7
116.98611	2.4
119.01842	0.9
120.04480	1.1
121.02847	0.4
122.06036	2.8
123.04424	0.3
124.43704	0.3
127.03917	4.0
128.02319	0.4
128.98650	0.4
129.34230	0.4
131.00194	0.3
131.04892	0.4
133.06538	0.4
134.06032	6.8
136.07605	0.5
137.06004	0.4
143.00201	1.2
145.04982	4.7
146.06047	1.4
148.07501	0.4
152.07085	2.7
155.04736	0.6
156.98131	0.4
158.05928	0.4
158.99664	1.2
161.01193	0.6
162.05475	1.1
164.07080	0.5
172.07675	0.5
176.07137	1.3
177.00713	1.0
182.05264	1.0
188.07101	0.4
191.03847	0.5
207.01953	0.5
218.08081	0.5
219.01711	0.5
236.09229	1.3
237.02837	0.6
248.99207	0.6
254.10356	2.2
267.00235	0.9
272.06165	1.2
272.11349	2.8
272.16162	1.1
281.33475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01882	2.9
55.05500	2.8
56.96567	26.3
57.03440	9.0
57.07057	0.7
58.06554	0.5
59.04981	0.9
61.02932	9.9
64.17141	0.5
65.03934	2.5
67.05503	0.9
69.03431	17.3
69.07058	0.6
70.03735	0.6
70.06569	2.2
70.98109	1.3
71.01337	1.0
71.04977	2.2
71.95259	1.6
72.08149	0.8
73.02920	12.7
73.06539	2.0
74.97611	1.4
77.99644	0.6
79.05486	0.9
80.05000	0.7
81.01028	0.6
81.03429	5.5
81.07049	1.9
83.01346	0.9
83.06101	1.3
83.08593	0.7
84.04498	0.7
84.08150	1.2
84.96040	6.7
85.02907	31.8
85.06528	0.6
87.00975	0.5
87.04482	4.0
89.00785	0.8
91.03960	2.4
91.05468	1.5
92.05008	37.5
93.04526	1.0
93.05775	2.6
94.06572	5.8
95.06096	2.5
96.01556	0.6
96.08132	1.8
97.02297	1.3
97.02894	16.9
98.03239	0.6
98.97588	43.6
99.04465	3.6
101.00842	1.8
101.02347	0.9
102.97048	0.7
103.00629	0.8
103.03956	1.0
104.01292	0.8
105.03383	1.0
107.04943	1.1
109.02892	5.5
110.01285	3.6
110.06046	100.0
110.07138	12.2
110.97575	7.8
112.07597	0.6
112.08761	0.8
112.99130	3.9
113.02347	0.6
115.00685	1.5
115.03947	1.5
116.01328	0.7
116.98622	16.0
117.02050	1.7
119.01835	9.8
119.04971	1.7
121.01686	1.1
121.02994	0.6
123.02075	0.7
123.04413	1.0
124.99120	4.9
125.01791	1.2
126.06656	2.6
127.00700	1.5
127.03930	10.4
128.02341	2.5
128.98619	8.1
129.02066	1.0
130.02818	0.8
130.08650	1.0
131.00183	2.2
131.01846	2.7
133.01680	0.7
134.99651	4.4
135.04391	0.6
137.01788	1.6
137.02841	0.8
137.05984	3.8
139.00758	0.7
139.04153	0.5
140.01363	0.6
140.02245	2.7
140.98610	1.7
141.74710	0.6
142.01807	0.6
143.00169	11.6
143.01808	3.1
144.98090	1.1
145.01694	1.5
145.03421	1.2
145.04979	4.7
146.02309	4.8
146.04112	1.2
146.99641	4.5
147.03174	1.8
147.04456	1.9
149.01242	1.2
149.02898	1.0
149.06009	0.6
152.02318	2.4
152.07106	1.5
152.98618	1.4
153.03146	1.2
155.00160	1.3
155.01776	0.7
155.02847	2.3
155.04668	7.4
155.54857	0.9
156.07686	1.1
156.98064	0.7
157.01703	1.2
158.99660	12.9
159.00897	1.0
159.03168	0.9
160.06596	1.4
161.01259	10.0
161.02879	4.8
161.06607	1.0
161.39931	0.6
162.03630	1.3
162.99179	1.8
163.02730	0.7
163.04308	1.2
163.12338	1.2
164.05258	1.8
165.00694	0.9
165.05553	0.6
167.06984	0.6
168.05443	0.7
169.04364	5.1
170.03374	1.1
170.99651	5.4
173.01271	3.5
173.02913	4.1
174.04515	1.1
174.99167	1.6
175.02841	1.8
175.04578	0.9
176.03389	1.0
177.00719	8.0
177.04141	0.8
177.05867	0.9
178.04996	1.1
179.02303	0.8
179.07155	0.7
180.55118	0.6
181.00117	0.6
182.03377	17.3
182.05165	2.4
182.99690	1.7
183.05000	0.6
184.02902	1.3
184.04962	0.6
185.01236	0.9
186.04532	1.0
186.99211	1.6
187.02895	0.9
188.97032	0.8
189.00703	6.1
189.02325	1.0
189.04176	0.8
190.55034	1.0
190.98801	0.8
191.02303	1.9
191.03905	25.3
191.05698	1.7
191.54106	1.6
192.05682	0.6
193.00172	1.2
193.03983	0.9
194.99536	0.7
195.05112	1.3
200.04425	11.0
201.00716	7.6
202.54773	0.9
203.02350	1.1
203.04111	1.6
203.55708	0.9
205.00235	3.8
205.03781	1.1
205.05542	1.2
206.06337	0.7
207.01802	1.6
208.05127	0.9
208.14478	2.2
209.05032	1.4
211.55342	1.0
212.02417	1.2
213.00684	1.0
217.00290	1.2
217.03668	0.9
217.05563	1.4
219.01761	11.7
219.05185	1.6
221.05164	0.9
223.01253	4.1
226.15465	3.1
227.02350	0.6
227.04883	0.7
227.06836	4.1
230.03349	0.6
230.98236	1.8
231.01785	2.3
231.05602	0.9
233.05022	1.0
237.02843	5.3
237.06198	0.9
242.05530	0.8
243.01770	0.9
247.01190	0.8
248.99147	8.4
249.02640	3.0
254.10327	2.5
254.15057	1.8
261.02811	6.5
263.05939	3.0
267.00278	4.9
272.06726	3.9
272.11340	27.0
272.15903	12.3
273.09476	1.1
279.03967	2.1
289.95297	0.6
291.04034	1.9
291.07199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50273	1.5
53.03925	3.2
53.10108	1.6
55.05516	69.7
56.83623	1.6
56.96571	4.1
57.03426	3.6
57.07076	16.8
65.03902	2.6
67.05508	49.6
68.99790	2.0
69.03415	3.5
69.07072	100.0
69.24213	16.6
71.04989	6.4
71.08621	7.0
79.05497	18.0
81.07062	73.9
83.04970	4.9
83.08624	64.8
83.09122	2.9
85.06549	8.4
85.10182	3.1
91.05485	18.8
93.07052	35.8
95.08614	69.5
97.06538	13.3
97.10174	63.6
98.97580	5.5
99.08079	7.6
101.05968	1.7
105.07042	20.3
107.08605	24.8
109.06514	3.4
109.10164	36.4
111.08103	9.6
111.11732	28.7
113.09623	3.6
115.11462	1.7
117.07012	2.6
119.08585	23.4
121.10145	31.5
123.08049	6.9
123.11718	16.4
125.09628	8.5
125.13262	7.7
133.10136	22.7
135.11703	29.3
137.09613	7.2
137.13231	8.2
139.11156	8.1
147.11710	19.0
149.13290	8.0
150.11755	1.8
151.11209	8.3
151.14841	9.9
153.01811	5.0
153.12773	11.2
153.32167	1.6
157.12283	2.2
159.08058	3.8
161.03000	1.9
161.13271	19.1
165.12747	11.5
169.12260	2.5
175.14827	6.8
177.16386	3.4
179.14362	8.1
183.13893	1.9
191.17961	3.6
193.15848	3.4
193.19516	8.0
205.79025	1.8
217.19539	45.1
217.21602	2.9
235.20592	39.0
253.21626	16.5
271.06024	45.2
271.09119	3.5
271.16907	6.3
271.20090	3.0
271.24518	1.9
291.61429	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.03919	1.0
55.05503	3.9
56.05022	1.2
56.96558	1.9
57.07066	2.2
67.05503	6.4
68.99794	1.9
69.07072	5.7
70.03786	1.2
71.54752	2.1
79.05479	3.8
81.03411	1.2
81.07057	6.6
83.04967	1.3
83.08618	1.7
85.10156	1.1
86.11648	1.3
89.59264	1.4
91.05458	4.0
93.07046	3.6
95.08598	5.8
96.08116	1.5
97.10148	1.3
97.33974	1.1
98.97603	1.2
103.40810	1.2
105.07019	3.3
106.06576	1.5
107.08618	2.4
108.08112	6.8
109.02881	1.4
109.10197	2.8
117.07002	2.0
119.04971	1.9
119.08591	1.8
120.08108	1.2
123.11704	1.6
129.07016	2.0
131.08575	1.3
133.10077	2.8
144.08130	1.4
147.11710	1.4
153.01855	1.5
156.08054	1.6
157.10077	1.9
158.09612	2.1
159.08055	4.1
168.08098	4.1
169.08867	4.8
172.07619	1.8
182.09641	1.8
183.10384	7.6
185.10645	1.5
196.07610	3.2
197.08354	4.9
198.12756	7.0
199.08649	5.0
200.13031	1.6
203.07089	1.5
208.11331	1.5
211.09874	9.8
212.09471	2.0
213.10278	8.2
214.11066	1.3
215.15541	2.9
226.12308	23.4
227.11806	17.2
228.12578	22.2
229.05138	1.6
241.09564	2.0
242.10570	1.4
243.14940	19.7
243.17252	2.0
253.10928	1.3
253.13399	2.8
254.11745	2.2
255.11282	27.7
256.12088	39.1
271.06076	26.4
271.14423	100.0
271.24200	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03936	1.4
54.88138	0.5
55.01866	1.1
55.05509	1.1
57.03441	1.0
58.99586	6.6
59.05001	0.6
61.01138	1.4
65.03932	0.8
67.05495	2.2
68.19543	0.4
68.99771	0.8
69.03431	7.1
69.07072	6.2
70.88359	1.0
79.05493	6.6
80.27760	0.5
81.07063	4.8
83.04984	0.9
86.99064	6.2
89.00611	0.9
91.05482	15.0
93.07046	18.1
93.07639	0.9
95.04977	2.9
95.08604	2.7
97.06522	1.2
99.04445	2.3
103.05469	1.2
105.00091	6.7
105.04514	0.6
105.07040	7.7
107.04976	2.8
107.08605	11.7
109.02860	0.5
109.06519	9.6
112.79298	0.6
115.05450	0.9
116.06226	1.9
119.06099	0.9
119.08596	2.5
121.02886	1.1
121.06504	16.9
121.10149	27.2
123.08064	1.9
123.11718	2.1
125.06007	0.8
127.03916	0.5
129.07001	2.3
131.08572	22.5
132.99538	1.7
133.07597	0.7
135.08070	2.8
137.09622	1.3
139.05742	0.6
139.11165	2.6
141.03700	1.1
141.07005	0.6
145.10152	0.6
147.01135	1.0
147.07976	0.6
149.02332	3.6
149.09622	100.0
150.10345	2.0
153.01747	1.0
163.05663	0.6
163.31815	0.5
165.06956	0.6
167.10706	6.6
169.06500	0.8
173.05997	1.2
181.06743	1.5
183.08125	0.5
194.00198	0.5
197.06013	1.0
211.07617	0.7
215.07051	4.9
221.61162	0.5
225.09511	0.5
226.14507	0.8
229.04941	0.9
243.06569	4.3
253.09296	0.4
271.06052	7.8
271.10028	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0788
Annotation	Micrandrol C
Peak:m/z	Relative Intensity
50.70156	1.1
55.01862	2.7
55.05517	3.9
56.69121	1.4
56.96568	1.3
57.03437	1.3
57.07085	1.4
58.79191	1.1
63.89195	1.3
67.05507	7.0
68.87936	1.2
68.99786	7.2
69.03432	5.3
69.07072	3.4
71.04993	6.2
71.54124	1.2
72.08146	1.7
73.02899	1.8
79.05501	7.9
81.03438	5.7
81.07051	8.7
83.04998	4.0
85.02924	6.9
85.06553	3.9
91.05484	16.4
93.07035	7.1
95.05004	3.7
95.08617	3.8
97.02888	2.2
97.06549	3.0
98.97610	4.9
99.04475	2.6
103.05487	1.6
104.76932	1.3
105.07049	5.5
107.04977	7.5
107.08582	3.4
109.02921	4.5
109.06551	3.0
109.10160	2.6
110.03227	2.4
111.00827	1.7
111.04465	1.9
111.08057	1.4
116.98605	1.3
117.07041	2.1
119.08587	2.4
121.06547	3.3
121.10176	5.6
123.04427	1.6
123.08072	2.2
125.06030	1.5
125.09677	1.9
126.49310	1.5
127.00039	19.4
127.00888	1.8
127.03937	3.9
127.05003	1.3
127.07485	1.5
129.07047	2.5
131.08609	3.5
132.99524	1.3
133.06551	1.9
133.10159	3.9
135.04413	1.5
135.08127	1.8
135.11714	1.2
137.06013	2.7
139.02139	1.4
139.11176	1.7
145.05037	1.3
147.04427	2.2
147.08067	1.7
147.11707	1.6
148.63741	1.2
149.05901	4.2
149.09587	8.3
151.03947	1.3
151.11247	1.5
153.01868	4.2
153.07104	1.7
155.04933	3.3
155.07063	3.2
157.06601	1.9
157.10161	2.4
161.09683	1.8
165.03702	1.4
165.07069	4.0
167.06831	10.5
168.05771	1.2
169.06541	1.5
171.11775	2.1
173.06018	7.7
177.05565	1.2
177.81789	1.1
179.07072	1.2
181.03174	1.3
181.04961	1.8
181.06775	2.0
181.08452	3.6
183.04533	4.9
183.08154	3.8
185.06125	2.0
185.07904	1.8
189.12782	1.5
193.12302	1.8
197.06036	4.9
201.05470	6.7
203.07050	2.7
203.92520	1.4
207.08553	1.4
209.07849	7.9
211.07671	3.5
212.78114	1.2
215.07065	1.5
217.12228	2.2
225.05481	2.9
225.07471	9.0
225.09254	1.2
227.08966	1.7
229.05045	6.8
235.13405	3.1
239.07013	1.5
243.06477	3.1
250.06021	1.9
253.14543	3.8
271.08035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
54.07535	0.1
65.03933	0.2
67.01868	1.3
67.05499	0.1
68.99789	0.7
69.07053	0.1
71.15206	0.1
71.15562	0.2
80.90873	0.1
81.07042	0.2
90.59238	0.1
91.05481	1.8
95.08619	0.1
109.02906	0.1
111.00799	0.2
119.04945	4.9
121.02866	1.3
125.02369	0.2
129.01805	0.2
131.04922	0.1
141.06953	0.2
142.23073	0.1
145.02835	1.1
145.06543	0.1
147.04378	0.2
153.01830	10.0
159.08060	0.1
163.03923	0.8
169.06480	0.3
169.45079	0.1
171.02936	0.5
173.05952	0.1
184.06915	0.1
187.03867	0.3
197.05971	0.3
201.05521	0.1
203.07083	0.2
215.07072	0.1
225.05429	0.7
229.04950	0.5
243.06526	0.9
247.06136	0.2
253.04938	0.2
254.05750	0.1
271.06006	100.0
272.06412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17747	0.1
65.03943	0.1
67.01534	0.1
67.01868	1.4
68.99788	0.8
69.53593	0.3
74.74326	0.1
78.38039	0.1
81.03429	0.1
81.07072	0.1
91.05480	1.2
93.07066	0.1
95.04980	0.1
95.08595	0.1
98.97579	0.1
107.04936	0.1
107.08589	0.1
109.02877	0.1
109.06549	0.1
110.38186	0.1
111.00788	0.2
119.04946	4.3
121.02872	1.2
121.06551	0.1
121.10143	0.1
125.02329	0.1
129.01851	0.2
141.07002	0.2
145.02844	1.3
153.01833	9.6
155.04892	0.1
163.03894	0.7
168.05653	0.1
169.06493	0.2
171.02852	0.6
177.52216	0.1
185.05946	0.1
187.03911	0.3
197.05995	0.3
201.05432	0.1
203.07088	0.1
211.03929	0.1
215.07117	0.1
217.11816	0.1
225.05441	0.5
226.05878	0.1
229.04959	0.6
243.06535	0.6
247.06062	0.2
253.04964	0.2
271.06012	100.0
272.06326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0594
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.73940	0.0
65.03934	0.1
67.01868	1.3
68.99435	0.1
68.99788	0.9
69.00166	0.0
69.03407	0.1
71.56822	0.1
79.05510	0.1
80.70303	0.0
81.03403	0.1
82.58920	0.0
83.01292	0.0
91.05486	1.2
93.07061	0.1
94.84969	0.0
97.02863	0.1
105.07013	0.1
107.08590	0.1
109.02879	0.1
111.00808	0.2
115.05455	0.1
119.04946	4.5
119.08591	0.0
121.01995	0.1
121.02872	1.4
124.07568	0.1
125.02350	0.2
127.03925	0.1
128.41162	0.0
129.01817	0.3
131.04910	0.1
135.11734	0.1
141.06998	0.1
145.02837	1.2
147.04448	0.1
147.61862	0.0
149.02365	0.1
149.89714	0.0
153.01831	9.8
155.05019	0.1
157.06496	0.1
159.04311	0.1
163.03911	0.8
169.06477	0.2
171.02892	0.6
173.05988	0.1
185.05876	0.0
187.03935	0.3
197.05977	0.3
201.05600	0.1
202.06259	0.1
203.07098	0.2
211.03883	0.1
215.07037	0.1
225.05441	0.5
229.05011	0.7
243.06496	0.8
247.05984	0.2
253.05028	0.2
271.06009	100.0
272.06250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64114	4.5
56.96535	4.1
66.41129	4.3
67.05499	7.9
68.99783	6.3
69.39109	3.6
69.47482	28.7
69.47891	9.4
76.89007	4.3
79.05517	26.5
81.07038	5.5
87.00838	77.7
91.05479	9.4
93.07034	6.6
98.06028	5.3
98.79269	5.0
98.97612	5.1
103.05471	93.7
105.01910	7.2
107.04962	57.7
107.67567	4.9
108.05163	3.9
121.06519	91.4
131.04926	100.0
143.60715	4.4
147.04366	9.4
149.05994	83.6
207.06517	66.5
235.06033	18.0
253.07092	16.7
255.06424	6.2
270.09366	5.5
270.13327	14.5
271.06058	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	270.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73381	0.6
53.03948	1.1
56.96555	1.1
57.03437	1.2
59.04997	2.1
59.93897	0.7
61.02927	2.5
61.76130	0.6
67.05482	0.7
69.03423	4.1
69.07088	0.7
70.05752	1.6
71.04970	1.0
71.09462	0.7
73.06557	100.0
74.06094	0.7
80.05871	0.7
81.03453	1.7
82.69882	0.7
85.02905	18.0
87.04488	1.7
91.03969	0.7
91.07594	11.1
97.02911	3.3
98.97580	3.5
99.04465	0.9
107.94034	0.7
109.02904	3.8
113.06054	1.2
119.03444	0.9
122.06087	0.8
127.03935	3.2
145.04965	4.6
161.04419	1.7
163.06050	1.8
190.19260	0.7
217.03526	4.4
224.12799	0.8
235.04547	2.2
252.12343	1.4
270.09955	0.9
270.13303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.87683	0.1
56.96548	0.2
65.03934	0.1
67.01874	1.3
67.05507	0.1
68.99789	0.8
71.41090	0.2
79.11545	0.1
81.07056	0.2
84.39896	0.1
91.05493	1.3
92.02595	0.1
93.07024	0.1
94.39189	0.1
95.08607	0.1
97.02905	0.2
105.07010	0.1
111.00774	0.1
115.05479	0.1
119.04948	5.1
121.02887	1.1
121.10110	0.1
125.02375	0.1
129.01865	0.2
129.07071	0.1
131.04915	0.1
141.07008	0.2
145.02841	1.2
153.01842	9.7
157.06480	0.1
159.07954	0.1
163.03918	0.9
167.07060	0.2
169.06497	0.1
171.02946	0.5
173.06030	0.1
175.07619	0.1
187.03891	0.3
197.06030	0.2
200.04132	0.1
201.05374	0.1
202.06235	0.2
203.06993	0.1
206.54230	0.1
211.04045	0.1
211.07556	0.1
215.04640	0.1
215.06973	0.1
225.05501	0.5
229.05080	0.4
243.06552	0.9
247.06075	0.3
248.08141	0.5
253.05016	0.2
257.08661	0.5
271.06021	100.0
272.06317	0.5
276.87393	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01871	2.6
56.96570	7.6
57.03438	6.0
58.99857	1.7
61.02929	6.0
61.69513	0.9
69.03427	9.8
69.07073	1.2
70.06589	3.0
70.68042	2.1
70.98117	1.1
70.99853	2.7
71.04982	2.0
73.02922	5.2
73.06545	1.4
79.05515	1.3
81.03403	3.7
81.07082	1.2
82.01430	1.3
82.06567	2.0
82.99839	8.0
83.04997	1.4
84.04501	1.5
84.96041	0.9
85.02437	1.7
85.02909	22.5
85.06542	1.3
87.04466	1.4
91.03970	1.7
92.47590	0.9
95.04996	1.4
97.01405	4.7
97.02894	12.1
97.06551	1.1
98.97586	16.9
99.04472	3.2
100.02499	4.0
101.00885	75.7
107.04948	1.1
109.02877	2.7
110.07152	1.6
110.50003	0.9
110.97581	5.7
112.07617	3.0
112.99142	1.6
113.00861	7.0
113.05989	1.3
115.02438	15.9
116.98635	5.7
117.03989	2.9
119.01920	100.0
120.57932	1.0
124.02516	1.4
124.99126	1.1
125.99071	0.9
126.98795	7.3
127.02421	1.0
127.03925	6.0
127.08657	1.0
128.02365	1.5
128.98621	3.0
129.03984	4.5
131.01900	12.3
133.03462	17.4
136.06151	1.7
137.02943	11.2
138.05484	2.0
140.05600	2.3
140.98657	1.1
141.00365	1.2
141.05536	1.1
142.03520	2.6
143.00139	2.4
143.01906	9.1
144.99823	9.0
145.03464	2.5
145.04987	3.1
146.99631	1.8
147.05042	4.2
149.02975	1.4
154.03596	1.4
154.98232	1.0
155.01860	1.2
157.03493	4.1
158.06630	10.8
158.99673	5.2
159.01422	3.6
161.02937	8.5
161.05588	1.2
167.05559	3.5
168.99829	26.6
169.01375	1.3
169.03438	1.7
170.06653	2.9
170.99655	2.7
171.01376	3.7
171.05092	1.4
172.99371	2.9
173.01692	1.2
173.02956	7.7
175.04533	2.0
176.03369	2.6
176.05247	1.2
176.07645	5.8
177.00700	2.5
177.02458	2.8
177.04050	2.0
182.03046	3.3
183.04996	1.4
184.04544	1.8
185.02905	1.8
186.04424	1.2
186.99251	1.4
187.00876	35.2
187.02606	1.8
187.04411	2.1
188.07700	9.9
189.00754	3.0
189.02473	3.9
191.03943	8.4
196.99335	18.2
197.01106	2.2
199.00858	2.7
200.04434	3.2
200.07678	1.6
201.00761	2.0
201.02528	3.7
202.05606	1.1
203.04071	1.2
205.00262	1.2
205.01958	5.7
206.00792	1.3
210.02530	1.8
212.04131	1.3
215.00356	65.1
217.01938	5.1
219.01656	2.0
219.03537	5.8
221.05151	1.9
224.07671	4.1
229.01974	9.8
229.03860	1.5
233.01425	7.7
237.02792	2.8
238.01973	2.5
242.08757	2.2
245.05055	2.0
247.02982	27.0
251.02423	5.1
256.03015	7.1
257.05249	1.9
260.57132	1.1
265.04047	4.6
270.05038	2.0
270.08289	14.1
270.14597	1.7
274.04095	1.9
275.06079	1.2
288.09338	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	269.2476
Annotation	omega-Cyclohexylundecanoic acid
Peak:m/z	Relative Intensity
53.03922	1.7
55.01866	4.3
55.05512	73.8
57.03421	7.8
57.07077	90.4
59.04991	3.1
62.42711	1.9
67.05183	3.3
67.05507	44.8
69.07069	100.0
71.04971	5.6
71.08633	59.3
73.06544	4.9
79.05495	28.3
81.07057	75.8
81.56139	1.9
81.60196	1.7
83.04993	11.1
83.08618	71.4
85.06529	7.0
85.10181	27.9
91.05481	5.4
93.06494	2.7
93.07043	43.9
95.04960	3.0
95.08603	56.7
97.06537	30.9
97.10176	55.3
99.08076	7.1
99.11739	3.2
101.05991	5.3
104.99271	5.5
105.07016	3.1
107.08588	40.8
109.10162	30.9
111.08093	22.3
111.11745	16.7
113.09633	2.2
115.07564	10.2
119.08549	2.9
121.10152	40.1
123.11707	15.9
125.09642	23.7
125.13287	2.3
127.11197	2.0
129.09103	8.0
133.10100	3.9
135.11691	41.2
137.13268	11.2
139.11171	19.7
141.12781	3.0
143.10649	4.1
149.13266	26.9
151.14789	4.2
153.12738	16.7
157.12225	3.7
159.11652	3.5
163.14813	24.4
167.14256	12.1
171.13725	3.8
177.16405	16.9
179.17906	1.8
180.58414	1.9
181.15895	11.6
185.15356	2.3
191.17981	5.9
195.17400	7.6
199.16885	2.9
209.22653	1.8
233.22639	48.6
251.20006	2.6
251.23691	26.7
269.08170	2.3
269.24905	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.09473	1.0
53.03934	3.2
55.01865	2.2
55.05517	19.2
56.96567	6.5
57.03441	32.3
57.07071	4.8
65.03923	3.0
67.05506	81.0
69.03417	2.9
69.07072	31.6
71.04990	8.0
71.08625	2.0
73.02925	1.4
73.15017	1.0
79.05499	42.2
81.03381	2.7
81.07059	100.0
83.04978	12.1
83.08154	1.2
83.08621	21.8
84.96034	5.3
85.02858	0.9
85.06537	7.9
91.05482	28.9
93.07046	78.9
95.04968	8.1
95.08611	30.2
97.06531	16.4
97.10152	2.2
98.97591	10.6
99.04423	1.5
99.08109	4.8
105.03381	3.0
105.04509	1.1
105.07037	13.6
106.03696	1.5
107.04947	1.6
107.08598	41.6
107.35765	1.0
109.06536	4.8
109.10159	7.4
110.97609	1.0
111.08086	10.3
111.11683	0.9
113.09656	0.8
116.98606	3.5
117.07014	12.2
118.81916	1.0
119.04951	6.6
119.08606	4.6
121.06489	3.1
121.09328	1.8
121.10147	24.7
121.11015	1.6
123.08060	1.2
123.11683	4.4
125.09593	1.8
128.02295	1.1
128.98616	1.2
131.04906	1.1
131.08574	10.9
133.10136	14.6
135.08061	3.3
135.11690	15.2
139.07553	1.7
139.11163	2.7
143.08499	1.2
145.10120	3.5
146.78711	0.8
147.04405	21.0
147.11658	3.2
148.04724	2.0
149.09575	2.1
149.13268	51.6
151.11195	2.3
155.04614	3.2
156.98235	1.2
156.99738	1.0
157.10144	1.4
158.99675	1.9
159.10468	2.0
159.11700	24.7
161.13272	1.4
163.03951	1.2
166.21541	1.0
166.55481	1.8
167.14299	2.2
171.11761	1.7
173.13266	1.8
177.00720	1.4
177.12752	12.2
185.13210	1.6
187.11128	1.1
187.14717	1.3
195.13820	18.2
213.14720	1.4
219.01617	2.1
219.03445	1.3
220.04892	2.8
233.19194	1.0
237.04372	4.2
237.10637	1.3
249.46768	0.9
255.04993	1.0
255.09091	1.4
261.04456	2.1
269.12366	3.1
269.17462	70.0
269.22556	5.8
279.05396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03933	4.6
54.66584	1.4
55.01864	3.3
55.05518	18.5
56.96550	3.2
57.03199	2.1
57.03443	26.6
57.07067	7.7
63.25375	1.3
65.03930	2.3
67.05508	83.9
69.03416	2.1
69.06731	2.2
69.07071	29.0
69.85952	6.8
69.86346	3.4
71.04999	9.0
79.05499	48.5
81.07060	100.0
83.04996	9.4
83.08623	19.3
85.06532	6.0
91.05493	31.3
93.07050	69.4
95.04979	7.5
95.08618	29.2
97.06512	14.0
97.10167	4.7
98.97570	1.6
99.08094	5.0
105.03400	2.7
105.07029	12.8
107.08604	33.1
109.06505	3.5
109.10151	6.8
111.08088	9.2
117.06997	10.7
119.08582	3.3
121.10147	20.5
123.11730	4.5
125.09573	1.8
131.08565	13.3
133.10124	15.8
135.08043	2.6
135.11688	13.7
139.11197	2.4
147.11690	1.9
149.09589	3.0
149.13260	40.6
151.11176	3.0
152.67780	1.6
159.11700	30.4
161.13293	3.3
173.09723	1.9
174.02121	1.6
177.12764	17.2
179.14308	4.3
185.07562	1.8
195.13837	20.1
251.19972	3.0
269.08069	2.8
269.17480	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	4.6
55.01863	4.8
55.05512	20.8
56.62963	1.6
56.96557	4.7
57.03440	26.0
57.07057	6.6
62.22257	1.7
62.49396	1.7
65.03948	1.9
67.05505	81.7
67.80508	2.0
69.03416	3.2
69.07069	33.8
70.85979	1.9
71.04985	7.9
71.54768	2.5
79.05496	47.5
81.03423	3.3
81.07058	100.0
82.01456	1.9
83.04972	12.1
83.08628	21.3
84.08110	3.2
85.06537	5.5
89.31237	2.1
91.05478	29.2
93.07043	73.6
94.11293	1.7
95.04993	8.9
95.08613	33.4
97.06534	16.9
97.10165	5.2
98.97572	2.0
99.08086	6.4
105.03407	3.4
105.04545	2.0
105.07023	17.3
107.08601	36.5
109.06512	4.4
109.10147	9.6
111.08067	8.6
117.07024	12.3
119.08559	5.7
121.06504	3.2
121.10143	35.4
123.11740	5.4
125.09624	2.4
131.08565	16.4
133.09187	3.0
133.10112	16.6
135.08092	3.5
135.11726	13.5
145.10118	2.3
147.11678	3.3
149.09613	16.6
149.13263	39.7
149.57851	1.8
157.27036	2.0
159.11702	30.1
161.13280	4.3
167.14340	2.2
177.09093	8.0
177.12753	15.3
181.12225	2.4
188.83507	1.9
195.13838	20.8
209.11772	6.7
213.14912	1.9
233.19128	3.2
243.12012	1.9
251.20079	5.7
269.03897	2.0
269.17480	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50870	1.0
52.12347	1.0
53.03930	4.1
55.01865	4.9
55.05511	34.0
56.96575	5.9
56.96800	1.2
57.03156	1.4
57.03436	15.4
57.07068	3.8
59.04984	1.6
65.03940	1.6
67.05506	72.4
69.03413	3.9
69.07068	41.1
70.65298	1.7
71.04986	6.6
77.03924	1.5
79.05495	46.8
80.06270	1.2
81.03409	2.9
81.07056	100.0
83.04985	9.3
83.08620	23.1
84.96050	5.0
85.00418	1.0
85.02893	2.2
85.06542	6.6
90.57764	1.1
90.98293	1.0
91.05479	23.1
93.07045	75.7
94.07408	1.9
95.04971	7.4
95.08607	64.3
97.06530	15.6
97.10166	12.4
98.97588	15.8
99.04469	1.1
99.08074	3.9
105.03405	10.7
105.07035	14.3
106.03708	3.9
107.04020	2.6
107.04913	2.1
107.07871	2.5
107.08592	40.0
109.06504	2.2
109.10156	37.7
111.08095	8.0
111.11700	2.1
116.98613	6.4
117.07020	8.1
119.08569	10.9
120.75011	1.1
121.06483	2.6
121.10143	34.5
123.08027	3.0
123.11716	11.7
125.09625	5.2
127.07537	1.7
129.06998	1.6
131.08563	15.1
133.10141	14.7
134.99602	1.8
135.08029	1.7
135.11705	13.7
137.09601	3.0
139.11206	7.8
143.08601	1.3
145.10126	5.6
147.11653	4.3
149.09612	3.6
149.13264	26.7
151.11159	3.4
151.30121	1.4
153.09172	1.4
153.12779	1.2
157.10088	2.5
158.99644	2.9
159.11685	22.2
161.13232	3.6
163.11214	1.5
167.14334	2.9
168.11125	1.1
169.12183	1.3
173.13240	3.8
175.11066	1.0
175.14793	1.1
177.00693	2.3
177.12727	9.3
179.14267	2.2
181.12224	1.7
187.13295	1.8
187.14915	1.4
191.17755	1.3
195.13791	8.8
201.14760	1.2
202.06789	1.6
203.12794	3.0
205.19519	1.9
209.15335	1.4
215.16167	1.0
215.17987	10.3
219.01749	1.4
233.19016	19.8
237.08046	1.7
251.09520	1.9
251.20071	66.3
255.09029	3.5
260.11716	8.2
260.61765	1.3
269.08051	1.8
269.12234	5.8
269.17456	37.2
269.21094	9.4
279.09030	3.2
280.63055	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	269.1751
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03937	2.9
53.74258	1.3
55.01872	2.9
55.05279	1.4
55.05516	20.1
56.61032	1.2
56.96569	6.0
57.03443	27.2
57.07061	5.2
65.03934	1.9
67.05511	78.8
69.03419	3.5
69.07076	30.7
69.24398	11.3
71.04997	6.1
71.08614	1.7
73.02894	1.4
77.63029	1.1
79.05501	47.0
81.03408	2.6
81.07065	100.0
81.67207	1.2
83.04996	9.6
83.08631	19.8
84.96008	2.1
85.06530	5.3
91.05492	36.2
93.07053	80.4
95.04977	9.2
95.08615	28.2
97.06541	16.4
97.10149	4.0
98.21532	2.6
98.97596	10.7
99.08091	6.4
103.05493	1.2
103.56016	1.4
105.03415	3.1
105.06406	1.4
105.07043	15.8
107.07893	1.8
107.08610	37.3
109.06487	3.6
109.10171	8.6
111.08081	9.5
113.05972	2.1
113.09618	1.5
116.98637	3.0
117.07026	12.2
119.04960	1.2
119.08603	9.8
121.06489	3.0
121.10148	23.8
123.08045	1.9
123.11696	4.5
129.06972	2.3
131.08598	13.5
133.10138	16.1
135.08057	3.4
135.11717	13.9
139.07552	2.1
139.11212	1.9
140.00165	1.4
143.08540	3.0
145.10103	3.6
147.04401	1.9
147.07947	1.3
147.11673	4.4
149.09566	3.6
149.13275	43.9
151.11212	3.0
157.00188	1.3
157.10060	3.1
158.99698	2.3
159.10471	2.0
159.11717	29.3
161.13269	3.0
163.11215	1.3
169.10112	1.6
171.11681	2.5
173.13345	2.1
175.14920	1.4
177.12762	17.5
179.14304	2.9
185.13255	2.5
195.13832	18.3
199.57167	1.5
213.14777	1.9
215.14282	1.8
215.96512	1.2
233.15269	1.5
242.44930	1.3
251.20081	1.7
269.07272	2.2
269.17453	82.1
269.22540	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.17699	1.3
53.03933	3.8
55.01861	2.5
55.05276	2.1
55.05513	22.1
55.72358	1.5
56.96548	1.6
57.03159	2.2
57.03437	37.9
57.07062	5.5
65.03949	2.0
67.05505	73.2
69.07068	29.2
69.28101	12.0
71.04989	7.4
74.09728	1.4
79.05495	49.6
81.03426	3.3
81.07058	100.0
83.04983	12.0
83.08618	17.0
85.06536	8.9
86.72123	1.2
91.05479	21.9
93.07047	71.2
95.04966	6.0
95.08608	25.8
97.06536	15.6
97.10166	4.5
98.97564	6.6
99.08064	5.9
105.03361	2.6
105.07059	7.4
107.08591	41.4
109.06498	4.8
109.10151	5.5
111.08103	11.1
116.98635	1.5
117.07017	10.8
119.08587	3.9
121.06503	2.3
121.10143	26.6
123.11722	2.3
125.09614	1.6
127.07572	1.3
131.08539	10.0
133.10132	7.1
135.08095	2.9
135.11696	12.8
139.11198	2.4
145.10152	2.0
147.04338	2.0
147.11662	1.7
149.09711	1.4
149.13266	55.4
156.20837	1.3
157.10107	1.4
158.99611	2.0
159.11714	22.6
177.00742	1.6
177.12761	12.2
195.13817	18.1
202.99532	1.4
210.52228	1.5
269.17490	68.2
269.22565	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37495	7.4
52.27003	7.7
53.03964	10.6
53.81075	8.6
55.01872	11.2
55.05505	20.9
56.96573	19.3
57.03442	9.0
67.05508	58.4
69.03436	22.1
69.07062	36.1
69.57455	50.8
71.04976	14.4
77.03898	9.6
79.05503	80.7
81.03441	10.7
81.07056	100.0
83.04987	38.5
83.08640	7.4
85.02917	19.3
85.06542	22.1
91.05470	54.8
93.07043	83.1
95.04980	26.7
95.08614	70.1
97.02903	22.2
97.06530	55.2
98.21474	11.9
98.97571	68.3
99.04472	17.8
103.05457	9.1
105.07034	81.6
107.04967	89.4
107.08608	67.7
107.76787	7.8
109.02884	15.2
109.06525	34.0
109.10168	19.4
111.08092	14.4
113.05972	8.2
115.05434	9.0
116.98616	21.3
117.07046	18.0
117.26773	7.4
119.04938	18.7
119.08609	22.2
121.06515	55.3
121.10156	32.2
123.04419	25.6
123.08053	11.5
123.11726	7.7
125.06009	43.0
131.04921	25.8
131.08559	18.9
133.06508	11.9
133.10141	20.2
135.08040	23.3
135.11723	20.8
137.05957	26.3
137.09679	9.9
139.07559	19.3
143.07050	19.0
143.08583	8.1
144.09325	12.5
145.06456	8.9
145.10127	99.8
147.04425	29.0
147.08060	7.9
147.11690	13.9
149.09639	15.8
151.07559	10.6
157.10144	11.5
158.99644	16.3
159.04381	17.4
159.08014	10.2
159.11694	54.5
161.09569	9.1
161.13231	11.4
163.03932	23.8
163.11227	92.8
167.07063	9.4
169.10118	18.9
173.09631	56.6
175.03966	26.5
175.14754	8.5
177.00763	16.6
177.05461	13.9
177.12801	10.2
181.06398	7.6
181.12262	30.7
187.11208	67.4
191.10622	40.9
197.09586	18.5
205.06448	8.4
205.12289	31.4
209.11694	11.6
215.10748	90.8
227.12849	15.8
228.10072	9.9
233.11819	53.8
233.15335	9.3
251.07034	26.1
251.12784	32.8
251.16571	12.2
251.20004	16.5
269.04541	29.2
269.08078	66.6
269.10751	13.9
269.13705	57.7
269.22656	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.5
55.01864	7.3
55.05505	19.5
63.44483	5.1
67.05495	20.3
69.03419	15.2
69.07068	17.4
71.04998	11.7
71.56821	9.6
79.05499	47.9
81.03419	7.0
81.07059	61.0
83.04998	29.5
83.08617	6.7
85.06576	12.3
91.05492	38.0
93.07057	63.7
95.04961	23.4
95.08619	31.3
97.02908	15.1
97.06532	45.5
98.97584	23.1
99.04469	10.1
101.90931	5.6
102.67107	5.2
105.07033	67.6
107.04961	45.4
107.08619	41.9
109.02913	9.1
109.06547	33.3
109.10174	13.0
111.04424	6.9
111.08068	6.2
113.49022	5.1
115.05479	5.6
116.98627	8.1
117.07036	26.2
119.04950	18.3
119.08578	29.8
121.06517	48.0
121.10142	13.7
125.06010	41.4
127.07525	7.2
129.07018	7.7
130.07774	9.6
131.04939	9.3
131.08589	27.4
133.06490	17.4
133.10139	11.3
135.08066	16.1
135.11668	33.0
137.06010	21.3
137.13225	5.5
139.07553	15.2
141.07031	6.6
143.07071	18.8
143.08546	11.1
145.06476	8.7
145.10123	99.5
147.08040	9.8
147.11691	13.3
151.07542	13.6
157.08580	6.0
158.07266	6.0
159.08069	9.6
159.11673	53.4
161.13358	6.1
163.11203	100.0
169.10126	10.0
171.11761	9.3
173.09653	51.5
179.08466	6.8
181.12262	37.2
182.42055	5.0
187.11171	63.3
189.12805	5.5
191.10692	27.0
193.20337	6.4
197.09607	19.2
205.12268	24.7
209.11714	17.4
215.10713	85.8
227.12801	20.2
227.46823	5.5
233.11768	52.0
233.15361	9.3
249.06998	12.2
251.12785	22.0
260.22717	5.9
269.04431	13.1
269.08069	13.4
269.13663	25.4
269.17227	6.7
269.22696	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	269.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88567	0.8
53.03936	1.1
55.05511	1.0
56.92372	0.7
56.96566	1.2
57.03438	4.9
57.37272	0.8
63.09328	0.6
67.05510	4.0
68.99744	0.7
69.07061	2.1
69.42665	3.6
71.04998	1.2
79.05499	3.9
81.07062	5.1
83.04972	0.8
83.08614	1.2
91.05492	7.5
93.03475	0.7
93.07041	4.1
95.04976	1.2
95.08602	3.5
98.97612	1.5
103.05472	6.9
105.03391	2.2
105.07042	5.0
107.04944	8.8
107.08600	3.1
109.02855	1.1
109.06507	0.8
109.10163	2.2
111.04454	0.8
113.05782	0.6
115.05491	1.7
117.07005	1.3
118.04160	1.2
119.04958	5.3
119.08609	1.1
120.05744	8.1
121.06516	1.8
121.10167	1.7
123.11736	1.1
130.04176	1.2
131.04926	4.7
131.08575	1.6
133.02841	1.4
133.06458	3.6
133.10143	2.2
134.07272	1.2
135.08058	7.8
135.11699	1.1
137.06007	3.6
137.09607	0.7
139.03905	3.7
141.09128	0.7
145.10097	1.2
147.04416	15.6
147.11624	0.9
148.05203	7.0
149.05998	3.6
149.13313	1.5
150.06703	0.7
151.03883	1.6
151.07524	1.2
154.06264	24.1
159.11699	2.1
161.05980	1.8
161.13269	1.0
162.06799	1.8
163.07558	25.1
165.05484	15.0
165.09087	1.6
177.12788	0.7
179.07097	1.3
180.07825	100.0
193.08626	8.6
195.10182	74.1
195.12106	1.0
213.11172	2.0
213.41983	0.9
233.11760	0.9
233.19096	1.1
248.07999	1.1
251.12772	1.0
251.16310	1.3
251.20265	0.9
268.60733	1.3
269.13773	1.4
269.17511	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1019
Annotation	Cardiobutanolide
Peak:m/z	Relative Intensity
50.65030	0.4
51.02382	1.0
53.03954	3.7
55.01852	0.7
55.05508	0.7
56.96567	0.9
57.03460	0.6
57.07060	1.2
61.02913	0.7
65.41640	0.5
67.05500	0.7
69.03429	2.0
69.07072	0.7
70.06571	0.4
71.04987	0.6
71.45419	0.5
77.03945	1.0
78.91673	0.4
79.05499	11.4
81.03413	1.5
81.07056	3.5
83.04985	0.4
83.08619	0.5
85.02912	1.7
85.34963	0.5
91.05487	1.2
93.07040	1.2
95.04951	3.8
95.08607	0.9
97.02878	1.1
97.06518	0.6
98.97607	1.7
105.04531	2.2
105.07017	1.0
106.05124	0.4
107.04960	100.0
109.02897	0.8
109.06506	1.0
111.04458	0.5
113.06036	0.6
114.51298	0.5
115.03960	0.9
115.05489	0.6
116.98611	0.8
119.01872	0.6
119.04958	0.6
119.08611	0.8
120.08109	0.6
121.06570	0.7
123.04401	0.7
125.04304	0.7
127.03950	0.7
131.04985	0.5
133.06517	0.5
135.08040	0.5
137.05948	0.7
143.01921	1.6
147.08073	0.6
149.05984	0.6
150.08754	0.5
160.06552	1.6
161.02969	0.9
177.05521	0.6
179.02734	1.1
191.07072	0.5
199.08076	0.6
209.08041	0.4
211.08217	1.4
232.08801	0.7
267.66779	0.4
269.03528	0.5
269.05966	1.1
269.10349	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.8
53.25752	7.1
55.01854	15.0
55.05496	31.0
56.96548	22.8
57.03435	9.5
57.07055	9.3
67.05510	69.6
69.03419	27.1
69.07071	41.0
69.43865	7.7
71.04975	28.7
71.56591	11.4
78.65811	6.6
79.05496	63.8
81.03417	16.8
81.07060	100.0
83.04962	26.8
83.08616	18.7
85.02898	24.9
85.06524	29.8
91.05486	83.5
91.32366	6.8
93.07054	83.3
95.04927	26.4
95.08598	76.7
97.02884	13.3
97.06511	31.1
98.97587	58.8
99.03759	6.9
99.04424	15.3
105.03366	18.1
105.07034	67.7
107.04951	35.6
107.08602	63.8
109.02896	18.0
109.06520	42.7
109.10143	34.4
110.51556	7.6
111.04433	9.1
111.08063	12.1
116.98586	17.7
117.03378	14.5
117.07000	20.0
119.04922	30.5
119.08575	33.7
121.06481	37.6
121.10123	38.5
123.04451	10.6
123.08070	12.9
123.11740	12.4
125.05968	27.4
127.03869	9.0
127.07531	7.8
128.06203	8.1
129.06960	11.7
130.07803	7.0
130.58885	7.2
131.04955	9.5
131.08572	52.5
133.06509	10.2
133.10135	40.2
135.08057	15.8
135.11676	14.8
137.05948	26.3
137.13258	7.6
139.07524	9.6
143.07059	10.9
143.08565	10.3
145.02795	17.1
145.06514	12.3
145.10118	76.5
147.04405	27.4
147.11685	18.0
149.09583	17.6
149.13239	20.0
151.11191	13.7
155.08641	7.8
158.99718	14.6
159.08035	20.0
159.11687	63.1
161.13219	9.2
163.11209	59.1
167.03375	22.7
167.08458	9.1
170.07304	7.2
171.11641	8.9
173.09599	25.3
173.13239	13.9
177.00731	11.6
177.05469	18.2
177.12778	12.6
187.11230	41.8
191.10622	18.5
194.12549	7.6
197.09642	11.6
201.16365	8.7
205.12276	29.8
208.05852	15.8
209.11700	8.1
215.10724	39.4
215.17906	14.9
219.01863	7.2
219.09673	10.3
226.06584	11.9
228.10033	15.6
229.07417	27.5
231.07382	24.6
233.11671	18.9
233.15315	11.0
233.18993	12.4
237.02919	9.6
247.08446	14.7
248.07974	15.9
251.12701	27.0
251.16370	14.7
251.19968	19.3
269.04541	9.5
269.08142	43.2
269.13681	23.3
269.17371	13.3
269.22226	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01875	0.3
55.49445	0.2
56.96560	0.2
57.03188	0.2
57.03430	0.8
69.03427	0.5
70.71884	0.4
73.02906	0.3
85.02896	0.6
94.04027	0.3
98.97615	0.2
113.01369	0.2
119.03555	0.7
124.40478	0.2
136.06187	100.0
137.04588	0.4
140.91583	0.2
148.83347	0.2
152.02274	0.1
229.00200	0.2
238.19061	0.2
268.10403	7.6
271.01382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Connatusin B
Peak:m/z	Relative Intensity
53.03933	6.4
55.01859	6.9
55.05500	7.3
57.03419	4.4
57.07058	5.2
59.04987	4.2
65.03963	1.9
65.46883	1.5
65.63490	1.5
67.05505	17.7
69.03432	80.3
69.07065	19.6
69.54227	10.6
71.05000	8.6
79.05495	24.9
81.03419	20.7
81.07063	32.1
83.04990	13.9
83.08623	8.3
85.02895	5.0
85.06527	5.6
87.04453	5.7
91.04965	2.9
91.05478	24.6
93.03413	4.2
93.07039	30.3
94.04185	2.9
95.04964	27.8
95.08620	15.4
97.02890	3.7
97.06519	8.0
98.20622	1.7
98.97580	2.8
99.04446	2.7
103.05439	2.7
105.03394	61.2
105.07030	39.8
107.04952	23.3
107.08596	19.2
109.02901	3.6
109.06519	35.5
109.10146	7.7
111.04424	3.4
111.08091	9.6
113.05991	4.0
115.05443	3.1
115.71655	1.6
117.07018	7.6
119.04944	2.3
119.07800	2.4
119.08585	28.5
121.02888	11.3
121.06506	36.1
121.10143	30.6
123.04447	14.5
123.08073	12.1
125.05978	2.5
126.84335	1.5
127.03924	3.8
127.07626	8.8
128.06256	3.2
129.05502	28.4
129.06989	12.8
131.08562	14.7
133.06506	22.4
133.10124	33.1
135.04395	2.3
135.08018	5.4
135.11699	6.5
135.42409	1.6
137.05986	12.6
137.09631	20.2
138.68597	1.6
139.03824	1.8
139.11169	5.4
141.05493	2.7
141.06958	6.3
142.07779	3.9
143.08559	6.3
144.05716	4.1
145.06473	5.4
145.10168	7.9
147.04391	3.7
147.08051	11.2
147.11693	27.3
149.06004	8.8
149.09639	8.6
151.07574	7.1
153.05464	2.8
156.09334	5.9
157.06535	4.9
157.10138	4.2
158.07297	2.4
159.08051	19.3
159.11691	9.5
160.08844	2.5
161.05983	8.0
161.09601	6.6
161.13261	13.4
163.11188	18.5
163.73364	1.7
165.05478	2.2
167.07033	3.5
169.04973	2.2
170.07379	4.3
171.08087	3.9
171.11674	12.1
171.22514	1.7
172.05084	2.0
173.05887	2.2
173.09608	9.4
174.10432	6.9
175.07552	3.5
175.11205	16.7
177.05431	1.9
177.12717	15.1
183.06569	7.1
183.10155	4.4
187.07495	8.7
187.11185	6.3
189.09172	4.4
189.12746	30.2
191.14313	9.0
193.08688	4.8
193.12251	2.8
199.11165	3.4
201.05446	2.1
204.07797	6.9
205.12256	42.6
206.21733	1.9
207.13808	30.0
215.91794	1.8
217.12241	13.6
219.10110	5.5
221.08031	1.8
231.10182	3.5
231.13869	2.0
235.13313	52.1
237.11240	2.0
237.14824	12.2
249.11234	61.8
249.14828	6.1
267.15924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.02389	0.9
53.03947	5.2
55.01874	1.7
55.05512	6.3
56.96576	4.4
57.03441	9.9
57.07085	0.7
59.92769	0.6
61.02926	1.6
65.03935	0.9
66.27592	0.5
67.05173	1.0
67.05508	10.6
69.03440	9.9
69.07072	4.3
69.23413	5.8
71.01347	0.8
71.04991	2.4
75.25539	0.7
78.96276	0.5
79.05498	11.4
80.26257	0.5
81.03421	51.1
81.07058	12.3
83.04984	3.8
83.08630	9.5
85.02890	2.1
85.06535	1.3
91.04920	0.7
91.05482	13.0
93.07052	9.0
95.04968	15.6
95.08619	6.2
97.02914	3.5
97.06559	1.5
97.10173	2.2
98.97577	3.4
99.04488	0.6
103.05494	1.1
105.03398	100.0
105.07039	10.5
107.04984	3.3
107.08592	4.4
109.02891	1.3
109.06519	2.7
109.10160	2.2
111.04441	1.3
111.08092	3.9
112.99173	0.9
115.05473	0.9
116.98619	1.1
117.07021	2.0
119.04919	1.1
119.08606	8.6
121.02875	0.6
121.06542	1.7
121.10148	5.6
123.04428	1.9
123.08060	1.1
125.09640	0.7
127.03918	6.0
128.06247	0.8
129.07033	4.5
131.08592	6.3
133.06477	1.7
133.10141	5.4
135.08035	1.2
135.11720	0.7
137.09666	1.1
142.07823	0.9
143.05455	1.2
145.10139	1.2
147.08038	1.9
147.11687	5.0
149.09654	3.1
151.11165	0.7
157.10124	5.6
158.99654	1.3
159.30614	0.6
162.06361	0.9
163.11105	1.1
165.09164	0.7
165.12721	1.3
171.06755	1.3
173.28586	0.6
175.11212	5.6
180.21826	0.7
185.04803	1.1
185.13278	0.7
187.21379	0.6
193.12259	9.8
203.05836	0.6
203.17812	0.6
211.13283	2.3
239.04495	0.6
249.07568	1.4
249.11285	0.6
249.14893	2.0
249.18481	1.2
267.08994	10.1
267.15924	36.6
285.10083	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	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03938	3.1
55.01880	2.1
55.05514	6.4
57.03442	18.4
57.07082	1.0
62.51660	0.9
65.03950	0.9
67.05176	1.0
67.05511	10.8
69.03417	3.0
69.07075	5.2
70.65781	2.2
71.04975	2.0
78.68999	0.9
79.05495	11.1
81.03423	100.0
81.07061	13.8
83.04974	3.7
83.08156	1.3
83.08618	17.5
91.05488	15.0
93.07043	9.1
95.04388	1.1
95.04976	18.8
95.08614	6.0
97.02935	1.4
97.10178	3.2
98.98479	1.2
104.04388	0.9
105.03383	2.8
105.07043	13.0
107.04973	5.8
107.08598	2.8
109.06502	4.0
109.10155	2.6
111.08077	7.4
117.07043	1.4
119.07798	1.3
119.08588	12.6
121.06496	1.9
121.10188	5.5
123.08074	2.0
123.11718	1.4
123.69832	0.8
129.07007	6.1
131.08569	6.8
133.06500	2.4
133.10158	4.7
137.09636	1.4
145.10103	1.5
147.08052	2.9
147.11667	7.4
149.09608	3.1
157.10147	9.7
165.12744	2.4
175.11189	10.1
178.01355	1.0
193.12263	22.2
211.13300	3.3
249.14854	1.2
267.15921	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1228
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
51.02369	1.4
53.03934	3.7
55.01867	1.8
55.05507	2.8
56.96560	1.0
57.03430	6.5
57.07059	1.6
59.04993	1.0
59.97866	0.9
61.02926	1.1
65.03928	1.1
67.05505	7.7
69.03433	24.3
69.07064	3.5
70.60179	2.1
70.60532	1.8
70.63474	1.0
71.04975	1.9
74.43670	0.9
79.05485	10.0
79.42286	1.0
81.03422	21.9
81.07059	11.9
83.04984	4.1
83.08611	4.1
85.02886	3.5
85.06544	2.2
87.04449	1.8
91.05486	16.2
93.03384	1.3
93.07046	11.2
95.04970	11.7
95.08612	7.1
97.02895	2.7
97.06532	2.4
98.97591	3.1
99.04457	1.6
103.05450	1.0
105.03397	49.2
105.04474	2.1
105.07041	13.3
107.04963	8.5
107.08601	5.5
109.02861	1.8
109.06537	8.7
109.10158	3.8
111.04428	1.8
111.08089	4.1
113.05988	1.4
115.05455	4.5
116.06202	1.6
117.07019	4.4
119.04927	1.6
119.08567	7.4
121.02885	2.9
121.06507	8.0
121.10144	7.3
123.04439	4.0
123.08058	3.8
123.11704	1.6
127.03917	3.5
127.07567	2.3
128.06215	4.3
129.05522	5.0
129.07002	14.4
131.04916	1.3
131.08568	18.4
133.06488	6.7
133.10139	11.7
135.08047	2.1
135.11681	1.8
137.05992	3.5
137.09639	3.5
138.26807	1.0
139.11180	2.1
141.07001	6.7
142.07782	3.2
143.08577	4.1
144.05653	7.7
145.06490	3.5
145.10115	2.9
146.07246	1.7
147.04424	3.7
147.08073	3.5
147.11687	9.9
149.05983	1.5
149.09604	3.2
151.07558	1.5
153.05441	1.2
153.09079	1.4
156.09355	3.1
157.06516	5.8
157.10167	2.9
158.07263	2.1
159.08064	22.0
159.09389	1.3
159.11674	3.4
161.05984	4.7
161.09653	6.1
161.13240	3.5
163.11238	6.3
165.12756	1.2
167.07059	1.4
169.06401	1.1
169.07661	3.2
170.07274	5.1
171.08084	3.5
171.11697	2.5
172.05220	1.9
173.05992	2.2
173.09644	1.8
174.06657	1.4
174.10371	1.2
175.07597	2.5
175.11205	5.0
177.12788	3.2
183.06628	1.6
187.07574	14.9
187.11166	1.5
188.08340	1.1
189.05513	2.0
189.09039	6.6
189.12769	7.1
191.14377	2.1
193.08607	2.2
193.12286	3.3
198.06950	1.1
199.07614	3.1
203.07069	3.1
204.07806	9.2
205.08609	1.2
205.12244	8.6
207.10036	1.2
207.13779	7.1
216.07825	1.9
217.08598	0.9
217.12274	4.3
217.14337	0.9
219.10100	5.2
221.11684	1.6
231.10239	3.8
235.13359	10.4
237.11206	2.8
237.14896	2.8
249.11237	100.0
252.07729	1.1
267.15952	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	267.1229
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
51.45511	0.7
53.03948	1.7
55.05509	1.1
57.03433	2.8
58.84227	0.7
67.05505	4.1
69.03426	3.2
69.07071	1.9
70.02142	3.5
71.04992	1.4
79.05494	5.3
81.03422	9.0
81.07056	4.0
83.04964	1.1
83.08621	1.0
85.02907	3.4
91.05486	7.3
93.07043	5.5
95.04978	3.4
95.08605	2.6
97.02876	2.1
97.06509	2.5
98.21467	0.9
98.97602	5.5
99.04495	1.1
102.94893	0.9
105.03406	19.7
105.04480	1.2
105.07047	5.7
107.04961	2.6
107.08585	3.1
109.02888	4.8
109.06528	1.4
109.10162	1.5
111.08074	1.0
115.05465	2.6
116.06245	1.9
116.98590	1.3
117.07001	2.4
119.08578	2.9
121.06535	1.3
121.10171	1.6
123.04430	2.6
127.03922	2.9
128.06244	5.2
129.07025	13.8
131.04936	2.2
131.08571	12.1
132.05780	0.9
133.06503	1.9
133.10147	2.6
135.04440	1.0
135.11665	1.0
137.09650	0.9
141.07027	5.1
142.07814	2.3
143.04890	0.9
143.08604	2.2
144.05733	6.3
145.06496	3.2
145.09995	0.9
146.07278	2.8
147.04424	2.0
147.08136	1.0
147.11737	2.1
149.09543	0.8
152.09532	0.8
156.05707	1.4
157.06514	6.3
157.10175	1.2
158.99669	2.3
159.08083	18.8
160.05235	1.4
161.05983	1.7
161.09636	4.9
167.07068	1.5
169.06425	1.0
169.07668	2.1
170.07300	4.5
171.08069	3.7
172.05211	1.7
173.06059	2.9
174.06764	1.9
175.07558	2.4
175.11240	1.3
177.06750	1.2
178.06297	1.0
186.07156	1.0
187.07581	13.1
188.08302	1.2
189.05482	1.9
189.09128	6.6
189.12746	0.9
190.06227	1.3
193.12125	1.1
198.06839	1.1
199.07544	1.3
200.04445	2.2
203.07043	3.5
204.07832	8.5
205.08632	1.0
216.07793	2.6
219.10217	6.4
221.11836	1.9
231.10199	4.4
237.11166	2.7
249.11249	100.0
261.02646	0.9
267.13129	1.4
267.15948	6.7
267.19678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45218	1.3
53.03942	4.2
53.27892	1.4
55.01867	5.7
55.05520	9.6
56.96561	4.3
57.03441	15.1
65.03940	2.2
67.05506	19.5
68.08904	1.6
69.03425	9.8
69.07082	10.7
69.21640	1.4
70.68265	3.2
70.68666	2.9
71.04986	5.7
72.39642	1.4
73.06561	4.2
79.05492	24.3
81.03419	52.4
81.07055	24.5
83.04984	13.0
83.08617	8.3
85.02919	7.5
91.05485	31.6
93.07044	13.9
93.36746	1.5
95.04980	19.5
95.08592	12.6
97.02893	8.6
97.06548	8.4
98.20774	1.9
98.97585	6.3
99.04454	4.2
105.00148	1.2
105.03395	46.7
105.04488	2.4
105.07025	20.1
107.04959	11.6
107.08583	6.3
109.02836	6.9
109.06522	7.0
109.10165	2.8
110.01366	1.3
110.97565	2.0
111.04433	3.3
111.08071	5.0
111.60169	1.4
115.05492	3.8
115.22356	1.5
117.07024	2.4
119.04945	1.6
119.08588	14.0
119.09400	2.1
120.08121	8.7
120.41708	1.5
120.52615	1.4
121.06514	4.2
121.08463	12.7
121.10143	4.8
123.04432	5.8
123.08064	4.7
123.11743	2.6
124.03896	2.4
127.03934	5.2
128.06198	4.5
129.06993	16.8
131.04892	2.6
131.08595	18.1
133.06483	4.7
133.10141	10.8
135.04453	7.8
135.08080	2.7
135.11716	2.8
137.09599	2.6
141.05450	1.9
141.06995	6.5
142.07738	3.5
143.08578	7.3
144.05663	7.0
145.06506	4.1
145.10141	5.3
146.03468	1.5
147.04425	3.3
147.08035	5.1
147.11687	10.8
149.09636	6.5
151.07553	1.9
157.06461	4.8
157.10098	8.5
159.08054	20.0
161.05991	2.2
161.09595	8.5
166.08612	3.2
167.09000	5.1
169.08739	3.0
170.07275	5.2
171.08087	5.6
172.05232	2.0
173.06050	2.7
175.11229	9.2
175.84399	1.7
177.05403	2.6
185.09612	2.8
187.07541	12.9
189.09157	7.3
189.12733	2.3
193.12248	11.5
198.06741	1.7
203.07063	4.3
203.10677	4.8
204.07872	9.6
205.08568	2.4
205.12296	1.8
207.10249	2.0
211.13280	1.9
213.09157	2.2
216.08063	1.9
219.10214	5.3
221.11819	2.8
231.10194	5.3
231.13626	1.7
234.08722	1.7
237.11346	2.1
249.11237	100.0
249.18355	3.0
267.10016	17.7
267.15924	45.0
267.60129	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	267.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02376	0.8
53.03949	5.5
55.01861	0.6
55.05510	0.4
57.03445	1.4
61.02908	0.4
67.05497	1.0
69.03433	7.6
69.07075	0.4
69.55347	1.6
70.30720	0.3
71.04996	0.8
77.03928	1.5
79.05076	0.5
79.05499	7.2
81.03423	10.4
81.07049	1.2
83.08614	0.5
84.09424	0.3
85.02910	10.8
85.06606	0.3
91.05480	1.3
93.07046	0.9
95.04972	4.8
95.08580	0.7
97.02908	2.3
98.97581	1.0
99.04465	1.0
105.03396	100.0
105.07023	1.0
106.03696	0.4
107.04945	0.5
107.08600	0.7
109.02890	4.4
109.06525	0.3
109.10175	0.4
111.08038	0.5
112.32381	0.3
117.07001	0.3
119.08620	0.6
121.10165	1.0
123.04436	8.6
127.03925	4.3
131.08578	0.6
145.05005	0.4
147.04434	1.4
147.11751	0.6
157.10159	0.4
175.11240	0.5
177.05466	0.5
193.12306	0.4
221.41078	0.3
249.07590	4.0
249.11269	0.6
267.08801	1.3
267.12161	1.0
267.15891	2.3
267.21182	0.4
267.86807	0.3
278.91663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02383	0.3
53.03710	0.1
53.03947	2.5
55.01857	0.3
55.05501	0.2
56.96563	0.5
57.03431	0.2
57.07074	0.1
61.02927	1.7
67.05498	0.4
69.03430	8.6
69.07059	0.2
71.01362	0.1
71.04988	0.1
71.09538	0.1
71.56578	0.1
72.83059	0.1
74.81223	0.1
77.03904	0.7
79.05498	0.8
81.03415	1.3
81.07064	0.6
83.04969	0.2
83.08621	0.2
85.02907	0.8
85.25810	0.1
87.60728	0.1
91.05495	0.2
91.93854	0.1
92.46039	0.1
93.07054	0.3
95.04971	3.1
95.08604	0.4
97.02895	1.9
98.97580	0.1
99.04471	0.4
105.03393	100.0
106.03725	0.2
107.04935	0.1
107.08582	0.3
109.02859	1.2
109.10159	0.2
119.08572	0.2
123.04442	0.8
123.11762	0.2
127.02976	0.3
127.03918	5.7
129.07011	0.1
135.11734	0.2
145.04980	0.3
147.11700	0.2
152.31839	0.1
189.05518	0.4
193.12354	0.1
231.06609	0.2
243.09125	0.4
244.09384	1.2
249.07570	0.6
249.18527	0.3
262.10495	0.3
267.08670	1.4
267.11182	0.2
267.16046	0.4
267.19623	0.1
285.10199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02386	0.5
53.00288	0.1
53.03714	0.2
53.03953	2.6
55.01862	0.3
55.05504	0.2
57.03437	0.4
61.02933	1.7
61.29903	0.1
61.99161	0.1
67.05498	0.3
69.03433	8.8
69.07061	0.1
71.41306	0.2
77.03922	0.9
79.05497	0.8
81.03424	1.9
81.07056	0.5
83.01335	0.2
83.04996	0.1
83.08604	0.2
85.02908	0.7
91.05489	0.4
93.07056	0.2
95.04976	3.4
95.08598	0.2
97.02895	1.7
98.97594	0.2
99.04456	0.6
105.03397	100.0
106.03674	0.2
109.02876	0.7
119.08567	0.3
121.10112	0.2
123.04415	0.8
126.21545	0.1
127.03929	5.3
129.07092	0.1
133.10118	0.1
135.11696	0.1
145.05019	0.2
147.11682	0.2
189.05487	0.2
193.12335	0.3
197.98332	0.1
231.06509	0.2
249.07550	0.8
267.08685	1.5
267.15994	0.8
267.18878	0.1
277.34558	0.1
285.10245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03951	3.9
55.01871	0.6
55.05502	1.1
56.96567	1.0
57.03439	1.6
57.07080	0.5
58.39144	0.3
61.02931	1.6
67.05495	1.7
69.03433	8.4
69.07063	1.2
71.01375	0.5
71.04972	0.5
71.53969	0.4
77.03921	0.9
79.05488	3.1
80.00939	0.3
80.39927	0.3
81.03425	6.9
81.07065	2.0
83.04970	0.6
83.08622	1.1
85.02901	1.8
85.06521	0.3
91.05484	1.8
93.07044	1.3
93.57744	0.3
95.04980	4.8
95.08605	1.3
97.02903	2.7
97.06511	0.4
98.97576	1.2
99.04462	0.4
105.03396	100.0
105.07013	1.9
107.04951	0.8
107.08576	0.8
109.02888	1.2
109.06490	0.3
109.10157	0.5
111.04482	0.4
111.08114	0.7
117.07016	0.4
119.08580	1.0
121.10171	0.6
123.04453	1.5
123.08075	0.5
123.11627	0.4
126.88969	0.3
127.03921	6.2
129.06987	0.9
131.08582	0.7
133.06514	0.5
133.10162	0.6
134.73204	0.3
136.83218	0.3
143.08531	0.5
145.04945	0.4
147.11717	0.7
149.09746	0.3
157.10092	0.5
170.99588	0.3
175.11176	0.5
189.05302	0.3
193.12317	1.2
203.79318	0.3
231.06627	0.3
246.11153	0.9
246.61414	0.3
249.07713	1.1
249.14844	0.6
249.18488	0.5
266.62610	0.3
267.08951	2.3
267.15866	3.9
267.21417	0.5
285.10144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
51.86993	0.3
53.03952	2.1
53.51867	0.3
61.02919	1.2
66.65019	0.3
69.03432	8.9
69.66572	1.7
77.03925	1.1
79.05485	0.5
81.03416	0.5
85.02910	0.6
85.91560	0.3
95.04969	3.1
97.02886	1.9
98.20734	0.3
99.04453	0.5
105.03395	100.0
109.02879	0.8
123.04443	0.8
127.03920	6.7
224.60449	0.3
231.06464	0.6
231.88487	0.2
249.07585	0.8
260.72699	0.3
267.08664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
52.42021	0.3
53.03955	3.0
55.01870	0.4
61.02929	1.7
69.03084	0.6
69.03433	9.0
70.32574	1.3
77.03930	1.3
81.03419	0.8
85.02891	0.8
95.04961	2.7
97.02892	1.5
100.24924	0.3
105.03398	100.0
109.02881	0.8
123.04410	0.5
127.03922	6.4
128.45613	0.4
137.75697	0.3
224.29079	0.4
249.07652	0.6
267.08731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54862	0.1
51.02375	0.6
53.03712	0.2
53.03950	2.8
53.24680	0.1
55.01854	0.2
57.03431	0.2
61.02927	1.5
69.03431	8.1
69.59686	0.7
69.60081	0.2
70.31845	0.1
71.04987	0.1
77.03910	1.5
79.05490	0.6
81.03423	1.0
81.07067	0.2
83.01334	0.1
85.02911	0.8
95.04974	3.1
97.02898	2.0
98.20783	0.2
99.04463	0.7
105.03394	100.0
106.03745	0.3
109.02893	0.9
123.04425	0.9
127.03920	6.6
144.48076	0.1
145.04961	0.3
152.64316	0.1
176.11488	0.1
189.05441	0.4
231.06573	0.2
249.07555	0.9
267.08630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03753	0.2
53.03952	2.9
57.03420	0.3
61.02917	1.2
66.22842	0.3
69.03434	9.1
70.57540	0.8
70.84311	0.3
77.03924	1.1
79.05479	0.5
81.03426	1.3
81.07046	0.4
85.02911	0.8
95.04980	3.0
97.02879	1.9
98.97554	0.4
99.04480	0.5
105.03395	100.0
109.02895	1.0
123.04405	0.9
127.03923	5.7
140.72987	0.3
147.04457	0.3
189.05464	0.5
249.07663	0.4
267.08682	1.3
267.16043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75737	0.3
53.04794	0.3
56.96557	0.5
63.92206	0.3
66.21111	0.3
70.64899	0.7
79.01414	0.3
82.99848	1.1
98.97600	1.0
101.00900	5.7
116.98724	0.4
119.01930	6.1
134.99879	0.6
137.02950	0.4
140.98827	1.8
142.03477	0.3
158.99895	4.7
175.02962	0.9
177.00957	13.7
179.49379	0.3
182.99884	1.6
199.02922	0.5
201.00941	4.7
201.02628	0.6
217.04132	2.5
219.02022	20.1
220.02144	1.1
225.00841	2.7
242.95721	0.3
243.02000	14.9
261.03073	100.0
262.03241	1.1
263.03732	0.3
284.04703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04301	0.2
55.05521	0.4
57.03424	0.2
59.05005	0.7
61.02931	1.3
71.04996	1.8
71.54470	0.4
79.05483	0.9
81.03428	0.2
81.07064	3.4
87.08089	0.2
89.42330	0.2
91.05499	0.4
94.04057	1.1
95.04964	0.4
97.06539	0.2
98.97591	0.3
99.08086	0.4
105.03377	0.2
109.02884	0.4
119.03556	2.2
121.02840	0.3
122.03255	0.2
136.06195	100.0
137.04601	1.0
137.05896	0.2
150.07750	0.5
234.13512	19.5
256.58414	0.2
266.16132	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02374	0.7
53.03950	3.1
55.01856	0.8
55.05499	0.9
56.96571	0.5
57.03411	0.5
57.07071	0.4
59.92214	0.3
61.02919	1.3
66.94396	0.3
67.05506	1.6
69.03430	9.9
69.07057	0.8
71.04990	0.7
77.03911	0.7
79.05494	1.8
81.03419	3.6
81.07066	2.0
83.08617	0.9
85.02898	0.6
91.05455	1.4
93.07042	1.2
95.04981	4.0
95.08610	1.5
95.85081	0.3
97.02893	1.9
97.06565	0.4
97.10192	0.3
98.98516	0.3
99.04495	0.4
105.03394	100.0
105.07030	1.1
107.04945	0.4
107.08578	0.7
109.02884	0.9
109.06550	0.4
109.10162	0.6
111.08157	0.4
119.08566	0.8
121.10153	1.0
123.04463	0.6
124.10698	0.3
125.12363	0.4
127.03915	5.7
129.06984	0.6
131.08604	0.5
133.10124	0.7
135.11691	0.5
137.09630	0.4
147.11656	0.6
157.10184	0.5
161.13368	0.4
189.05540	0.4
193.12318	0.7
211.01460	0.4
211.53819	0.3
212.02303	0.4
213.16376	0.4
231.10222	0.3
249.07666	0.8
249.18497	1.6
267.08804	2.0
267.16046	1.6
267.19617	0.6
285.09906	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03941	2.6
55.01857	4.1
55.05508	8.7
56.96561	1.7
57.03431	3.8
57.07080	4.9
61.15628	1.0
64.59566	0.9
66.67263	1.0
67.05507	38.3
69.03419	1.2
69.07067	11.6
71.04987	2.5
71.08614	1.6
79.05080	1.5
79.05496	15.2
81.03425	7.6
81.07062	23.9
83.05006	5.5
83.05440	1.4
83.08614	4.5
85.06559	2.5
85.10168	3.1
87.44797	1.2
91.05490	11.3
93.07050	20.6
95.04967	3.8
95.08611	100.0
97.06523	7.1
97.10184	1.8
99.08069	1.6
105.07005	5.1
107.08607	7.7
108.15737	0.9
109.06486	1.8
109.10165	9.9
111.08132	2.0
111.12691	1.1
113.09626	3.9
117.07017	1.9
119.08559	2.6
121.10133	4.4
123.08071	3.2
123.11696	3.4
131.08551	2.7
133.10153	2.5
135.11673	4.1
141.09094	7.4
145.10158	1.2
147.11838	1.0
149.13226	2.3
151.11165	3.8
153.12746	1.6
159.10182	20.0
159.11526	1.9
161.13266	1.5
163.11166	1.2
165.12767	5.9
186.96866	1.5
195.05302	1.3
195.13849	1.3
196.96684	1.4
229.19629	2.0
229.21892	1.3
241.98692	2.7
247.20547	2.6
247.24255	1.3
265.21631	45.7
265.25009	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	264.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03659	0.6
53.03938	1.9
55.01867	1.5
56.05030	0.7
56.96553	1.0
57.03437	3.7
57.07075	1.2
60.04516	3.3
61.02929	5.0
66.31288	0.6
69.03436	12.0
69.07074	5.8
69.74137	3.6
70.06601	3.8
71.01349	0.8
71.04977	1.7
71.06921	0.8
73.02915	2.0
76.03163	0.7
79.05511	1.2
81.03419	5.0
84.04533	0.7
85.02908	74.5
86.56982	0.6
87.04479	0.9
89.61704	0.7
91.03947	1.2
91.05476	7.7
92.05805	0.9
93.07036	0.7
97.02894	12.6
98.97601	1.3
99.04447	2.2
102.09185	100.0
103.03950	1.0
103.05486	1.3
105.03439	0.9
107.04971	2.7
109.02888	9.0
116.07089	8.3
117.07462	3.8
118.08673	0.8
119.04968	2.5
120.08111	6.0
121.02888	0.9
121.08459	7.3
123.04461	3.8
124.07623	1.5
127.03922	12.8
131.04942	0.9
131.08559	0.8
145.04970	8.7
147.04401	6.8
162.03212	0.7
187.03943	0.9
246.11394	0.8
264.08548	0.9
264.12158	2.9
264.14438	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2324
Annotation	Victoxinine
Peak:m/z	Relative Intensity
55.05502	0.7
56.96553	0.7
57.07067	0.4
67.05499	0.6
69.07066	1.9
69.84129	0.3
69.84453	1.4
70.65694	0.2
74.06083	3.3
79.05492	0.7
81.07054	1.6
83.08612	0.7
84.96029	0.3
85.02920	0.5
88.07638	6.3
91.05475	0.7
93.07043	2.6
95.04995	0.3
95.08610	2.3
97.10157	0.4
98.20683	0.3
98.97576	1.4
100.07600	0.7
103.05459	1.3
105.07031	0.6
107.08604	3.5
109.10143	1.6
110.97511	0.3
114.09172	0.9
116.98598	0.4
119.08630	0.5
121.02898	0.4
121.10153	2.7
123.11697	0.6
128.10812	0.3
131.04941	2.6
132.05276	0.3
133.10098	0.5
135.11703	2.5
140.10654	0.2
147.04420	0.3
147.11685	0.7
149.13292	0.4
152.10658	0.3
158.99596	0.4
170.99638	0.2
177.00829	0.3
178.12242	0.3
188.07396	0.2
190.16071	0.3
206.15407	0.3
219.01776	0.9
221.17792	0.4
222.18465	0.3
237.02879	0.3
244.09602	0.5
246.14949	0.8
264.23224	100.0
265.23511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
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
53.46852	2.7
54.63669	3.4
55.01843	3.5
55.05508	16.3
55.40409	3.1
57.63553	3.8
63.44991	3.3
65.03932	8.8
67.05241	2.9
67.05508	29.9
68.90093	2.8
69.03425	31.4
69.07071	4.2
70.68652	8.9
71.04980	10.2
79.05497	23.0
81.07069	16.8
83.04969	11.4
91.05475	56.4
93.03398	7.8
93.07043	45.0
95.04965	39.8
95.08604	21.9
97.06528	7.7
99.04472	4.1
105.07028	69.6
107.04937	6.5
107.08610	22.1
109.06520	24.5
109.10139	9.5
111.04454	28.1
111.08110	6.9
113.02350	4.2
113.05988	18.8
115.05443	6.6
116.06211	5.4
117.07011	21.1
119.08579	88.5
121.02872	15.9
121.06499	45.7
121.10121	11.2
123.08058	29.5
128.06218	7.9
129.07002	20.1
130.07765	9.8
131.08560	48.6
133.06450	9.2
133.10120	18.6
135.08057	81.9
135.43962	3.3
137.05966	4.1
137.09630	16.4
137.49432	3.5
139.03870	9.0
139.07550	10.7
141.06973	9.9
142.07770	7.5
143.08539	20.1
144.09299	10.4
145.06496	12.5
145.10110	37.2
147.08043	45.4
147.11665	17.4
149.09599	11.8
153.07057	4.9
153.09059	4.3
155.08542	12.8
156.09268	9.3
157.06427	6.6
157.10161	25.4
158.07265	29.7
158.10901	5.8
159.08060	42.1
159.11671	39.3
160.08824	4.4
161.05914	6.0
161.09610	41.7
163.07515	7.2
165.06976	4.0
165.09114	33.6
168.09335	7.6
171.08051	4.5
171.11662	7.8
172.08823	32.6
173.09612	19.7
173.13252	25.7
175.07555	72.3
175.11182	42.1
183.11694	11.7
185.09598	10.8
186.10274	4.3
187.07469	4.3
187.11197	41.8
189.09105	13.6
189.12704	22.8
193.08612	28.1
196.08791	9.4
199.11183	13.4
201.12737	43.7
203.10660	49.3
205.12219	8.7
211.11215	24.6
217.12234	34.0
219.13831	11.7
221.11844	3.7
221.60905	3.9
223.23198	3.0
229.12190	34.3
235.13260	10.3
247.13283	72.7
265.14334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.67388	1.0
53.03945	1.9
55.05515	15.3
57.03434	2.4
57.07079	12.8
61.93379	0.9
65.03935	2.2
67.05505	88.9
69.06722	1.7
69.07071	17.1
71.04976	1.7
71.08633	6.5
71.38637	1.3
71.38961	1.2
79.05495	20.6
81.07059	100.0
83.04953	2.7
83.08624	16.5
85.06526	3.1
85.10169	3.2
91.05479	19.0
93.07051	24.4
95.04977	2.3
95.08610	85.2
97.06525	7.6
97.10166	7.3
99.08093	5.9
103.23068	1.0
104.99275	16.5
105.06525	0.8
105.07040	9.4
107.08604	15.0
109.10159	42.9
111.08086	5.6
111.11667	1.2
113.09639	3.5
114.98576	0.9
119.08576	13.2
121.10147	15.8
123.08053	2.0
123.11707	19.0
127.11234	2.1
133.10144	14.0
135.11674	8.9
137.09615	2.4
137.13283	9.3
141.12753	2.9
147.11678	10.2
149.13295	6.4
151.11316	1.0
151.14807	9.4
155.14275	1.7
161.13275	11.5
163.14861	9.0
165.16386	9.2
175.14841	10.3
177.16351	2.3
179.17891	4.7
181.15900	1.3
189.16365	3.5
198.98738	1.1
209.69533	1.2
210.85370	1.0
217.19598	1.8
219.77733	1.0
245.22664	37.3
262.78110	1.2
263.23703	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.05857	0.8
53.03933	2.1
55.05274	1.3
55.05513	16.6
56.96550	2.3
57.03423	1.9
57.07083	11.7
60.70091	0.7
65.03930	1.7
65.93259	0.8
67.05508	83.3
69.06727	1.3
69.07069	17.8
69.83109	0.8
71.04994	2.1
71.08640	7.5
77.20602	0.8
79.05496	21.5
81.07061	100.0
83.04996	1.2
83.08142	1.2
83.08624	14.9
85.06531	3.5
85.10169	2.9
91.05486	16.2
93.06486	1.7
93.07049	27.5
95.04992	1.5
95.08613	89.1
97.06539	7.8
97.10185	6.3
99.08099	5.1
102.41697	0.8
104.98640	1.2
104.99281	16.6
105.07040	12.8
107.08605	15.5
109.06532	1.2
109.10163	49.4
111.08073	4.2
111.11738	1.1
113.09625	2.6
117.07050	1.3
119.08589	13.8
121.10150	19.0
123.08061	2.6
123.11714	21.5
125.09625	1.9
127.11181	2.2
131.08553	1.0
133.10138	15.8
135.11719	10.6
137.09599	2.3
137.13257	8.7
141.12737	2.5
147.11687	10.7
149.13269	8.9
151.11174	1.3
151.14825	7.2
153.12730	1.1
155.14291	2.8
161.03021	1.2
161.13274	11.2
163.14845	9.2
165.12740	1.3
165.16415	12.6
175.14859	9.0
177.16367	2.3
179.17958	5.6
181.15854	1.2
189.16414	3.9
199.06493	2.5
199.84262	0.8
203.17966	1.8
205.19350	0.9
207.13850	1.0
217.07477	1.6
217.19600	1.2
229.12469	1.2
240.10052	1.6
245.22662	39.9
263.23709	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03952	1.1
54.88228	0.7
55.01872	1.3
55.05516	15.1
57.03454	2.4
57.07079	13.0
65.03953	3.1
66.11720	0.7
67.05508	87.8
69.07069	16.7
69.82578	3.7
71.05003	1.8
71.08643	7.1
79.05496	23.1
81.07060	100.0
83.04993	2.2
83.08621	12.3
85.06544	3.2
85.10191	3.9
85.22695	0.6
91.04917	0.7
91.05488	17.4
93.07046	21.3
93.43698	0.7
95.05003	2.0
95.08612	90.3
97.06536	6.8
97.10175	7.2
97.38309	0.8
98.21464	0.9
99.08094	6.1
104.99283	10.2
105.07037	12.4
107.08601	15.4
109.06545	1.4
109.10160	42.8
111.08095	5.3
111.11740	1.6
113.09658	2.3
119.08594	12.4
121.10153	17.0
123.08091	2.4
123.11710	22.4
125.09714	1.2
127.11217	2.3
133.10141	14.6
135.11703	9.5
137.09639	2.3
137.13255	7.5
137.34349	0.8
139.11111	1.1
141.12776	2.2
147.11674	9.7
149.13283	7.3
151.11192	1.2
151.14819	10.0
155.14331	2.2
157.12648	0.8
161.13252	10.8
163.14824	10.1
165.16415	9.7
174.65675	0.7
175.14830	8.1
177.16385	1.7
178.56207	0.7
179.17981	4.8
181.15816	0.9
189.16370	3.5
195.54550	0.8
203.17969	1.8
217.19543	1.5
245.22656	39.8
247.11644	1.6
263.14688	7.3
263.23721	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03941	4.1
55.01859	1.3
55.05275	1.5
55.05514	23.8
56.96559	4.2
57.07050	1.5
65.03922	1.6
67.05176	2.2
67.05505	28.9
69.03415	1.7
69.07071	14.3
71.04977	2.9
71.44921	1.2
76.76646	1.4
77.03890	1.6
79.05495	76.3
81.07062	36.6
83.04988	2.7
83.08617	10.5
85.06516	1.6
91.05481	24.0
93.07047	100.0
95.04948	7.3
95.08611	32.4
97.06516	3.3
97.10156	3.7
98.97576	1.5
104.99268	30.6
105.04554	1.7
105.07024	19.0
107.08596	62.1
109.06504	4.1
109.10162	11.4
109.56200	1.3
111.08098	1.9
115.60127	1.3
117.07021	3.4
119.08591	15.9
121.10151	74.7
123.08044	3.1
123.11771	1.8
125.09651	2.2
126.15190	1.2
129.06999	2.4
131.08574	5.7
133.10135	11.1
135.08092	2.4
135.11700	37.8
143.01920	1.3
143.08559	4.2
145.10135	5.0
147.11699	9.0
149.09651	2.8
149.13275	12.7
151.11156	1.4
153.65312	1.2
157.10072	2.9
159.11716	4.3
161.09534	1.6
161.13237	3.7
163.11174	3.2
163.14822	1.5
171.11665	2.9
181.12267	2.9
185.13237	3.8
189.12704	1.4
193.12244	1.6
198.99060	1.4
199.06429	2.4
199.14835	2.5
203.14424	1.5
207.13812	2.0
217.07524	2.1
217.15863	1.3
219.16277	1.4
221.15303	1.5
227.17940	3.6
245.19031	4.6
263.05927	1.3
263.09088	1.5
263.20084	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03952	1.2
55.01868	2.2
55.05503	3.9
56.51576	1.2
56.96552	1.5
57.03417	1.4
57.07071	1.2
57.69012	1.0
63.34282	1.3
67.05497	4.9
69.03434	10.2
69.39578	3.5
69.39997	5.9
71.04974	1.4
79.05521	6.6
81.03446	1.6
81.07058	7.8
83.04974	1.5
85.02909	4.8
87.04493	1.5
91.05476	7.3
93.07049	5.9
95.04996	2.9
95.08615	1.7
97.02893	5.2
97.06543	13.7
98.20821	3.0
98.97597	2.7
99.04519	1.5
101.06021	1.7
102.74010	1.2
105.07054	8.4
107.04956	2.0
107.08611	12.8
109.02872	4.4
109.06519	4.0
111.04445	6.4
113.02386	4.1
115.05447	2.9
117.07027	4.2
119.04958	1.7
119.08556	6.3
121.06516	5.0
121.10163	2.6
123.04427	7.0
123.08100	2.7
127.03953	1.7
128.06223	3.6
129.07019	5.1
131.08603	8.0
133.06512	3.6
133.10144	4.2
135.08061	100.0
137.06023	2.6
141.06985	2.0
142.07805	7.4
143.08623	7.0
144.09399	2.8
145.06467	4.0
145.10118	3.3
147.04308	1.5
147.08063	9.2
147.11697	2.4
149.06015	2.7
151.07608	2.8
154.07822	1.5
156.09355	9.0
157.10109	7.8
158.07294	2.6
159.08081	7.7
159.11696	8.0
160.08836	2.2
161.06000	2.9
161.09615	5.1
163.07509	3.3
165.06987	2.6
165.09120	2.7
166.07802	2.5
169.06410	1.5
169.10080	2.2
171.08081	3.3
171.11691	9.0
172.08777	6.9
173.09648	9.7
173.13185	1.6
174.06950	1.4
174.10352	2.0
175.07581	2.6
175.11238	3.8
177.54865	1.4
181.10124	3.5
184.08858	5.9
185.09674	5.3
187.07605	1.7
187.11200	29.8
188.08350	3.6
189.09123	2.3
189.12820	1.4
197.09531	1.5
199.07649	1.6
199.11191	19.6
199.12892	2.0
202.09962	1.9
203.10686	30.7
209.09642	2.1
212.08360	4.5
215.10695	18.1
216.07764	1.4
217.12256	17.9
227.10701	19.3
233.11739	20.3
245.11748	57.1
263.12799	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04258	0.3
58.00113	0.3
58.99861	0.7
66.24083	0.3
70.36404	0.9
70.36775	0.3
70.99860	1.4
77.00898	1.3
77.99603	0.3
81.03407	0.3
82.99836	2.1
85.51932	0.3
89.00914	2.3
95.01947	0.3
101.00885	13.3
109.02909	0.4
113.00853	0.8
115.02442	0.8
117.00353	0.5
119.01923	10.9
119.19259	0.3
122.49989	0.3
124.02379	0.3
124.99324	0.3
127.02455	2.2
131.01924	0.9
133.03427	0.4
134.57167	0.3
135.01363	0.6
137.02943	0.6
139.02412	4.0
140.26549	0.3
140.32539	0.3
141.00374	0.7
143.01907	12.6
145.03474	4.2
153.21530	0.3
155.01985	0.6
157.03471	10.9
159.01413	2.0
161.02968	15.9
163.04529	0.4
167.01932	1.7
169.03531	0.3
173.02974	1.2
175.04544	1.8
179.03961	0.4
185.02962	5.0
187.04526	0.7
191.04007	0.5
203.04007	11.6
221.05086	8.8
223.13278	0.3
227.03984	0.4
238.79445	0.4
239.06111	5.5
239.98482	0.5
245.05046	1.0
263.06137	100.0
264.06284	0.6
281.07214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04258	0.3
58.00113	0.3
58.99861	0.7
66.24083	0.3
70.36404	0.9
70.36775	0.3
70.99860	1.4
77.00898	1.3
77.99603	0.3
81.03407	0.3
82.99836	2.1
85.51932	0.3
89.00914	2.3
95.01947	0.3
101.00885	13.3
109.02909	0.4
113.00853	0.8
115.02442	0.8
117.00353	0.5
119.01923	10.9
119.19259	0.3
122.49989	0.3
124.02379	0.3
124.99324	0.3
127.02455	2.2
131.01924	0.9
133.03427	0.4
134.57167	0.3
135.01363	0.6
137.02943	0.6
139.02412	4.0
140.26549	0.3
140.32539	0.3
141.00374	0.7
143.01907	12.6
145.03474	4.2
153.21530	0.3
155.01985	0.6
157.03471	10.9
159.01413	2.0
161.02968	15.9
163.04529	0.4
167.01932	1.7
169.03531	0.3
173.02974	1.2
175.04544	1.8
179.03961	0.4
185.02962	5.0
187.04526	0.7
191.04007	0.5
203.04007	11.6
221.05086	8.8
223.13278	0.3
227.03984	0.4
238.79445	0.4
239.06111	5.5
239.98482	0.5
245.05046	1.0
263.06137	100.0
264.06284	0.6
281.07214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97420	12.2
70.95586	30.7
73.79351	16.1
83.47835	14.7
83.74733	13.3
101.00870	44.6
119.01894	30.3
131.01917	17.7
143.01965	72.4
161.02992	98.4
173.02995	30.1
203.04146	15.5
263.01776	100.0
263.05817	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07627	11.2
64.42413	8.9
67.19054	11.2
70.25876	41.3
86.83974	11.6
97.40248	10.2
101.00911	11.9
120.27451	10.3
161.02985	13.9
186.15901	9.9
263.01654	100.0
279.40118	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02383	0.4
52.46147	0.2
53.03942	1.2
55.01860	0.6
55.05511	9.4
57.03434	0.9
57.07079	3.0
59.05008	0.3
65.03934	1.4
67.05505	29.7
69.07069	9.2
70.95580	0.5
71.04993	1.6
71.08625	1.2
77.03931	0.7
79.05493	38.1
81.07058	36.1
83.04984	0.6
83.08617	5.7
85.06552	2.4
85.10159	0.2
91.05482	19.9
91.69632	0.3
93.07044	52.2
95.04984	2.2
95.08609	26.1
97.06519	2.5
97.10172	2.1
99.08092	3.4
105.04523	1.1
105.07030	13.6
107.08596	35.2
109.06518	1.5
109.10157	10.5
111.08086	2.6
111.11702	0.5
113.09655	1.2
117.07027	4.7
119.08581	11.3
121.10144	32.0
123.08076	1.2
123.11716	3.7
125.09641	0.9
127.11203	0.5
129.07034	0.5
129.32559	0.3
131.08571	10.4
133.10129	10.2
135.11691	26.8
137.09592	1.2
137.13309	1.3
139.11226	0.6
144.09290	0.4
144.55803	0.3
145.10120	11.5
147.11691	9.6
149.09650	0.6
149.13258	22.8
151.11200	1.1
151.14876	0.6
153.12762	0.7
159.11694	7.9
161.13260	9.5
161.14627	0.5
163.14822	16.5
165.12775	1.2
173.13269	8.8
175.14833	3.8
177.16403	4.5
179.14290	1.3
181.60840	0.3
185.13353	0.4
187.14818	5.5
189.16383	0.8
191.14293	0.4
201.16408	2.6
203.17896	0.3
205.16011	0.5
209.03345	0.3
215.17978	1.8
217.19476	0.6
219.17459	0.6
233.22636	1.1
243.21089	27.0
261.22137	100.0
262.22635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03929	2.5
55.05508	8.8
57.03432	1.2
57.07089	2.6
65.03925	1.6
67.05504	29.8
69.06740	0.6
69.07069	9.3
69.55772	4.2
71.04971	2.3
71.08628	1.3
75.45820	0.5
79.05492	39.3
81.07057	35.7
83.04952	1.5
83.08623	5.2
85.06533	2.9
91.05476	19.4
93.07043	53.5
94.63709	0.5
95.04984	3.0
95.05476	0.7
95.08607	27.8
97.06503	1.9
97.10146	2.5
98.21400	1.2
99.08098	3.4
105.04493	1.1
105.06319	0.8
105.07025	13.0
107.08591	33.0
109.06509	1.6
109.10152	12.8
111.08047	1.8
111.11777	0.5
117.07016	5.2
119.08582	10.9
121.10141	32.9
123.08034	1.6
123.11700	4.1
127.11172	0.6
129.06989	0.7
131.08572	10.4
133.09241	0.9
133.10139	9.7
135.11693	26.7
137.09607	2.3
137.13245	1.8
139.11192	1.2
145.10120	11.4
145.11200	0.4
147.11690	11.0
149.13255	19.7
151.11183	0.9
151.14771	0.7
153.12721	1.3
159.11690	9.5
161.13245	9.8
163.14815	15.8
173.13278	8.7
175.14839	4.0
177.12714	0.9
177.16396	5.1
179.14311	1.3
187.14828	5.5
189.16385	0.9
201.00742	0.5
201.16377	2.5
203.17882	0.7
215.17891	1.4
219.17574	0.9
237.27802	0.6
243.21083	26.5
261.13004	1.9
261.22128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03942	1.2
55.01865	0.4
55.05512	9.1
57.03440	1.1
57.07080	3.0
59.04996	0.3
65.03941	0.8
67.05507	29.5
69.07071	9.0
69.34479	1.8
69.86868	0.2
71.05004	1.6
71.08641	1.1
77.03942	0.7
79.05497	38.9
81.03426	0.2
81.07060	33.2
83.04977	0.8
83.08624	5.8
85.06551	3.0
85.10197	0.4
87.38440	0.2
91.05484	19.6
93.07047	53.6
95.04980	2.4
95.08609	25.5
95.27221	0.2
97.06532	2.1
97.10171	2.1
99.08099	3.0
105.04522	0.9
105.06310	0.3
105.07034	12.5
107.08598	35.2
109.06521	1.7
109.10162	11.3
111.08083	2.3
111.11727	0.6
113.09672	0.8
115.05382	0.2
117.07018	4.7
119.06080	0.2
119.08585	10.8
121.10149	31.2
123.08081	1.1
123.11699	3.7
125.09644	0.8
129.06976	0.3
130.07820	0.3
131.08575	10.8
131.55959	0.2
133.10130	10.3
135.08066	0.5
135.11699	26.4
137.09645	1.5
137.13277	1.5
139.11182	0.7
143.08548	0.2
145.10130	10.6
147.11693	9.4
149.09601	0.6
149.13264	21.1
151.11174	1.0
151.14801	0.7
153.12750	1.0
157.10182	0.3
159.11702	8.5
161.13255	9.4
161.98448	0.2
163.11243	0.6
163.14830	15.7
165.12709	1.2
167.40866	0.2
171.11629	0.3
173.13260	7.6
175.14828	3.6
177.12735	0.6
177.16394	4.4
179.14285	1.3
185.13246	0.2
187.13164	0.4
187.14804	5.7
189.16412	0.5
191.14359	0.5
193.15985	0.2
201.16385	2.5
203.17944	0.2
205.15877	0.5
206.44739	0.2
215.17964	1.5
217.19453	0.4
219.17500	0.5
233.22691	1.3
243.21097	26.4
261.22144	100.0
262.22507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01859	0.7
55.05268	0.6
55.05513	9.0
56.60590	0.5
56.96565	0.5
57.03424	1.1
57.07083	2.7
58.75591	0.5
63.59464	0.5
65.03920	1.5
67.05507	27.6
69.07068	10.1
69.84277	2.3
71.04976	1.8
71.08613	0.8
71.13508	0.5
77.03935	0.7
79.05494	39.4
81.03394	0.5
81.07057	34.7
83.04998	1.1
83.08616	5.9
85.06540	3.0
85.10189	0.7
88.13413	0.5
91.04900	0.8
91.05484	20.0
93.07046	53.1
95.04946	1.7
95.08611	24.5
97.06514	2.3
97.10158	1.5
99.08100	3.0
105.04501	0.8
105.07037	13.9
107.08595	34.7
109.06507	0.9
109.09466	1.0
109.10162	12.6
111.08068	2.2
113.09633	1.1
117.07013	4.3
119.08583	10.7
121.10149	32.4
123.08092	1.1
123.11731	2.6
131.08571	11.6
133.10141	9.2
135.11696	25.4
137.09616	0.9
137.13271	0.8
139.11095	0.6
145.10126	10.4
147.11694	9.6
149.09656	0.6
149.13264	21.8
153.12721	0.8
159.11702	8.3
161.13269	8.8
163.14830	14.8
173.13261	9.2
175.14806	2.7
177.16377	4.7
179.14351	0.9
187.14854	6.6
191.14304	0.7
201.16420	2.6
203.17880	0.5
205.15813	1.0
215.17975	1.4
217.19446	0.6
219.17465	0.8
233.22650	1.1
243.21101	28.1
261.22144	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	260.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68742	2.0
56.96565	11.2
66.11892	1.8
70.91154	4.6
85.63317	1.8
88.64240	1.9
96.15467	2.0
98.97588	54.2
101.00886	11.7
116.98631	32.1
117.98951	2.1
119.01923	30.1
120.02089	2.0
134.99663	14.6
137.02930	6.3
154.93105	2.7
172.94301	6.8
177.00847	5.8
190.95406	2.9
195.01756	3.2
195.95865	3.3
200.96432	2.0
213.94119	2.1
213.96931	2.0
218.97614	3.7
219.01935	4.4
236.98625	100.0
254.96132	4.4
254.99689	3.2
260.00061	29.5
261.02899	9.5
272.94525	4.8
278.00952	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	261.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.9
71.18497	0.3
71.95266	0.4
72.70297	0.1
75.33720	0.1
82.99871	0.6
84.96034	0.5
87.56110	0.1
98.97590	14.1
99.97938	0.2
100.97185	0.7
100.97964	0.2
101.00884	3.6
102.00952	0.3
102.96243	0.1
102.96861	0.9
110.97569	0.7
112.99136	0.4
116.98624	5.2
119.01925	5.2
120.01973	0.4
120.97906	0.4
122.97816	0.2
124.99151	0.3
126.24467	0.2
128.98579	0.4
134.99673	1.5
137.02965	0.5
140.00261	0.2
140.98744	1.2
142.03506	0.2
143.00165	0.5
146.99533	0.2
149.04787	0.2
155.00151	0.2
158.99846	3.5
161.02998	0.2
165.99590	0.2
170.99680	0.4
173.01241	0.5
175.03123	0.2
176.93539	0.2
177.00960	10.6
182.99846	1.3
189.00697	0.5
191.02284	0.4
193.04019	0.2
199.03040	0.5
201.00926	3.7
217.04141	2.4
219.02003	17.0
220.02092	0.2
222.58136	0.2
225.00883	2.8
234.00763	0.2
236.98854	0.3
237.02881	0.6
237.98752	1.7
242.03676	0.3
242.98308	0.4
243.02011	13.7
244.02304	0.2
260.99957	4.7
261.03061	100.0
262.00299	0.2
262.03226	1.4
263.03491	0.5
266.03671	0.3
278.96899	1.1
279.00641	4.5
279.03824	0.5
284.04709	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01866	0.6
55.05515	9.6
56.34223	0.3
57.03438	1.1
57.07079	3.5
65.03950	1.4
67.05508	29.4
69.07069	8.4
69.34163	2.1
69.34573	0.7
71.04996	2.2
71.08629	1.4
77.03926	0.7
79.05497	39.1
81.07059	36.6
82.32277	0.4
83.04999	0.7
83.08624	4.9
85.06538	3.1
85.10200	0.4
91.05482	20.6
93.07049	54.9
95.04977	2.3
95.08609	26.0
95.80074	0.3
97.06531	2.5
97.10175	2.6
99.08100	3.1
103.05441	0.4
105.04519	1.0
105.06316	0.3
105.07036	14.3
107.08600	35.4
109.06526	1.2
109.10164	11.1
111.08089	2.9
111.11702	0.6
113.09647	1.0
113.79647	0.4
115.05417	0.5
117.07018	5.3
119.06139	0.4
119.08587	11.4
121.10150	34.5
123.08067	1.5
123.11716	3.8
125.09645	0.9
129.06982	0.5
131.08580	10.6
133.10133	10.5
135.08099	0.7
135.11697	26.8
137.09618	1.3
137.13268	1.3
139.11198	0.5
145.10123	11.1
147.11700	8.6
149.09601	0.7
149.13263	23.7
151.11192	1.0
151.14821	0.7
151.36584	0.3
153.12772	0.9
159.11703	7.9
161.13274	9.5
163.11240	0.6
163.14827	17.9
165.12766	1.4
173.13264	8.8
173.14700	0.6
175.14864	2.9
177.12863	0.7
177.16391	5.0
179.14285	1.8
187.14833	6.4
189.16418	0.5
191.14339	0.4
193.15799	0.4
201.16388	2.3
203.18021	0.5
205.15883	0.7
215.17912	1.6
217.19453	0.7
219.17436	0.6
233.22697	1.1
243.21097	29.2
260.32272	0.3
261.22153	100.0
262.22800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94522	1.1
54.52046	1.1
55.01834	1.2
56.89298	1.1
56.96571	16.0
57.03436	2.8
61.02913	2.1
65.71957	1.0
69.03430	1.6
69.78435	1.1
69.90767	3.0
69.91179	2.7
70.98100	1.4
73.02908	1.3
84.08134	1.3
84.96023	3.1
85.02888	2.8
86.09699	2.5
92.80375	1.1
93.52898	1.2
97.02850	1.5
98.97587	32.7
99.04443	1.2
101.00880	1.9
102.96889	3.4
108.35118	1.1
110.97573	7.4
112.99132	3.3
113.03481	5.6
116.98621	7.8
119.01942	2.4
124.99109	2.1
128.98598	4.7
131.00162	3.1
133.03445	1.5
134.99617	1.3
140.98587	4.6
143.00165	5.6
146.99599	1.9
148.03822	2.1
148.99419	1.0
152.98538	2.1
158.99612	6.4
161.01195	3.2
168.99117	1.2
170.99640	3.2
172.94484	1.2
173.01218	3.8
177.00697	4.3
182.99684	1.6
187.00331	1.6
189.00685	3.5
191.02266	1.7
195.04684	1.6
201.00716	3.8
201.03760	2.1
219.01730	9.2
221.05119	1.4
229.03252	27.7
237.02917	6.9
243.04752	2.7
261.02951	7.9
261.05814	100.0
261.09369	23.4
272.50229	1.3
278.96753	3.8
279.03998	3.1
279.09103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.50082	1.3
53.03930	2.3
55.01847	1.9
55.05497	7.4
55.82253	1.5
57.07052	3.5
59.25181	1.4
60.35168	1.5
64.17521	1.4
64.20558	1.5
67.05505	8.6
69.03413	2.4
69.06739	2.7
69.07071	36.5
70.85256	2.7
71.04993	27.4
79.05482	5.3
80.85913	1.5
81.07060	19.1
83.04963	6.2
83.08614	8.8
85.06536	20.2
89.39695	1.6
91.05489	14.4
93.07036	14.8
95.04958	2.7
95.08599	19.9
97.06523	3.7
99.08115	2.5
100.15409	1.6
105.07025	26.8
107.08598	22.2
109.06509	10.6
109.10157	14.5
111.08080	20.3
117.07013	8.9
119.08582	59.5
121.06555	1.7
121.10133	16.1
123.11713	25.3
128.06194	2.0
131.08582	13.0
133.10127	31.1
135.08066	20.0
135.11748	7.6
137.09604	4.6
141.06952	1.8
141.75768	1.8
142.07753	3.8
143.08554	7.3
144.09351	2.7
145.10117	35.5
146.10866	2.5
147.11699	19.9
149.09592	3.0
149.13199	1.9
151.11157	2.4
156.09302	3.2
157.10106	12.0
159.11697	31.0
160.12526	4.2
161.13269	37.4
163.11174	2.6
170.10930	1.8
171.11713	14.6
173.13277	9.7
175.14825	100.0
176.15627	4.6
177.12746	5.4
177.16446	2.0
185.13232	13.0
189.12695	3.2
189.16338	7.0
190.13536	2.8
191.14334	2.2
199.14810	5.2
201.16397	26.8
203.14360	10.1
215.17935	6.5
217.19522	5.1
229.15994	2.4
241.19490	14.7
243.45302	1.6
259.20581	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Benzyl 2-hydroxy-6-methoxybenzoate
Peak:m/z	Relative Intensity
50.01576	0.4
53.03943	1.1
55.00001	0.4
55.01858	1.1
55.25117	0.4
56.96568	0.6
58.52005	0.4
63.21886	0.4
65.03951	2.7
67.05508	1.0
69.07071	3.4
70.98173	1.1
77.03942	0.8
79.05486	2.1
81.07069	1.0
84.96034	0.7
89.03936	0.8
91.05485	100.0
91.47147	0.4
92.37970	0.5
93.07049	1.4
95.05017	0.9
95.08614	0.5
97.06533	11.0
98.97588	1.1
103.05464	3.2
104.05791	0.6
105.03427	0.9
105.07043	0.7
107.04960	0.7
107.08582	1.1
112.60677	0.5
117.03399	1.4
119.08609	0.7
121.02933	0.7
126.14328	0.4
131.04927	8.4
132.05298	1.6
133.02834	0.7
134.03687	0.8
135.04414	3.3
145.02878	1.5
147.04443	0.9
151.03897	6.0
158.99597	0.5
159.37666	0.4
161.02350	0.7
163.03912	47.5
171.35315	0.5
173.02335	3.2
181.04970	12.2
181.06551	0.8
185.06075	0.7
213.05548	0.7
215.07033	3.8
223.04997	0.6
241.08588	17.9
259.06125	1.5
259.09720	7.9
259.19244	1.0
263.86826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94890	0.4
55.01871	1.1
55.05512	0.5
56.05045	0.7
56.96293	0.9
56.96564	12.2
57.03446	2.1
57.07062	0.5
59.05009	0.6
61.02920	2.6
63.66335	0.4
67.04240	1.9
67.05509	1.1
69.03429	4.5
69.43736	2.9
70.06589	0.5
70.98121	3.2
71.04994	1.1
72.08139	0.6
73.01128	0.6
73.02922	2.4
74.00280	0.9
74.00668	7.5
74.97597	0.7
77.51333	0.4
79.19267	0.4
81.03413	2.1
81.07080	0.6
83.04988	0.6
84.08150	1.4
84.96024	1.2
85.02914	8.5
85.06541	0.7
86.09740	1.0
87.04493	0.9
88.99155	0.6
91.05496	0.6
97.02338	0.7
97.02902	7.6
97.06561	0.6
98.97587	13.9
98.98209	1.0
99.04461	0.9
100.02206	90.6
100.99170	0.9
105.03385	1.1
105.07070	0.6
106.02885	0.7
107.04971	1.1
109.02888	0.7
110.01254	0.4
110.96974	0.4
110.97585	3.6
111.05562	1.1
112.07628	0.5
112.99133	4.6
114.05573	0.6
116.98648	5.0
118.03256	4.4
119.01845	1.8
119.04932	0.9
120.01241	0.5
123.02057	0.7
123.04494	0.6
124.95610	0.4
124.99146	1.0
127.00690	0.5
127.04020	2.5
128.02287	0.6
128.98605	3.5
130.02835	0.7
130.08650	1.3
130.50951	0.4
130.94693	0.5
131.00191	3.2
131.01782	0.6
133.03397	2.1
134.99644	1.3
135.04472	0.8
137.02419	0.6
137.05934	2.3
139.03262	0.6
140.02277	0.6
140.98607	2.5
143.00145	2.5
145.01729	0.8
145.04982	1.2
146.02715	100.0
146.99657	1.3
147.03210	1.1
147.04408	1.4
148.03831	0.8
149.01207	1.1
149.02295	0.7
152.04120	0.8
155.00151	0.7
155.04695	1.5
155.54832	1.3
156.03648	0.9
156.98129	1.1
157.06235	0.6
158.99672	9.1
160.03940	0.6
161.01242	1.2
161.02914	1.0
161.04643	2.9
162.99197	0.6
163.03876	3.0
167.07104	0.5
168.05501	0.7
169.04411	4.8
170.99651	1.5
173.01202	1.1
174.99246	1.6
175.02766	1.2
177.00714	7.8
177.05855	1.0
177.54404	0.8
178.04953	7.4
179.07036	0.5
185.01259	0.5
186.04422	0.6
187.02812	0.9
187.04413	0.6
189.00685	1.3
191.02344	1.1
191.03879	0.5
193.03813	1.9
194.96330	1.0
194.99776	0.7
195.01779	1.2
197.02899	0.6
198.99049	0.6
200.04320	0.5
201.00710	0.5
207.01669	0.5
208.04893	0.9
208.99487	0.5
211.04832	0.6
212.98639	0.8
213.00717	1.7
213.06950	26.7
217.00206	5.1
219.01817	1.5
219.55521	0.8
229.00134	0.7
231.01762	0.7
235.01189	5.9
235.04877	3.5
237.02818	1.7
249.56454	0.8
250.07033	0.6
259.04395	4.9
259.07532	39.7
259.12811	2.4
284.68393	0.5
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	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03945	1.7
55.05513	8.9
55.12127	1.2
56.96566	1.6
57.03437	2.2
57.07081	2.4
57.83747	1.0
65.03931	1.4
67.05510	30.9
69.07079	7.3
70.78824	2.1
71.04989	5.0
77.03923	1.4
79.05486	7.1
81.07061	21.1
82.41403	1.0
83.08610	3.0
85.06525	4.3
91.05486	20.0
93.07035	4.9
95.08612	7.9
98.97564	2.7
101.44489	0.9
103.05495	1.4
104.20934	1.3
105.07034	14.8
107.08605	2.4
109.10144	4.8
115.05451	5.7
116.06240	3.0
116.98612	2.3
117.07024	50.2
119.08614	5.4
121.10149	2.6
125.09632	1.3
128.06210	8.9
129.07019	36.2
130.07770	4.3
131.08574	100.0
133.10133	11.4
135.11700	1.6
137.73105	1.0
139.42052	1.2
141.07004	21.6
142.07770	5.8
143.08563	30.0
145.10132	90.1
147.11678	2.6
149.09602	1.5
154.07785	4.9
155.08556	16.9
156.09337	2.1
157.10135	27.5
159.08067	4.0
159.11696	57.2
167.08569	1.3
168.09320	3.5
169.10155	20.9
171.11694	47.2
171.13168	2.2
173.09663	2.6
173.13269	26.1
175.11220	2.5
181.10123	2.4
183.11702	44.0
185.13272	6.5
187.11243	1.7
195.11749	1.3
196.12540	1.5
197.13263	27.3
199.11349	1.8
199.14798	2.4
210.14088	1.4
211.14879	6.5
213.16356	2.4
229.19514	1.3
239.17960	62.9
257.19016	61.9
257.26563	2.0
258.37918	1.2
274.97495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03935	1.8
53.14454	1.3
55.05513	12.5
56.96554	4.6
57.07059	2.1
65.03945	1.9
67.05502	12.6
69.03413	3.0
69.07068	10.3
71.04983	7.0
71.49506	1.5
71.57042	2.4
73.02918	1.9
78.45666	1.4
79.05494	12.2
79.24345	1.3
81.03414	1.7
81.07064	17.4
83.04970	1.5
83.08618	9.7
85.02893	1.9
85.06544	3.7
88.20016	1.3
91.05474	11.2
93.07053	21.5
95.04978	7.1
95.08613	24.7
97.06517	3.0
97.10181	3.9
98.97586	13.4
99.08064	2.4
103.05464	5.4
105.07034	25.6
107.08586	19.0
109.06501	8.7
109.10160	16.9
111.08095	4.7
116.98642	3.5
117.07037	6.9
119.04929	1.9
119.08584	23.9
121.10147	78.3
123.08038	4.3
123.11696	5.0
128.06210	3.3
129.06979	6.3
131.04932	6.5
131.08582	16.7
133.07587	1.8
133.10158	12.4
135.08067	26.5
135.11707	4.8
137.09615	6.5
141.07021	2.6
142.07773	7.7
143.01936	2.1
143.08583	15.7
144.09364	2.0
145.05040	1.3
145.10121	21.1
147.04387	5.8
147.11688	5.3
148.99167	2.0
149.09615	4.7
151.11238	1.4
155.08594	3.3
156.09363	3.8
157.10118	21.3
158.10889	2.7
158.99649	2.8
159.08041	1.9
159.11713	13.4
161.02913	2.5
161.09669	2.3
161.13252	4.7
163.11186	5.5
167.00169	2.2
167.08557	2.4
168.09418	3.1
169.10120	9.8
171.11740	11.0
173.09610	4.9
173.13290	17.1
175.11189	2.3
175.14787	2.7
177.00797	2.2
177.12784	2.3
183.11662	10.4
184.12477	4.0
185.01228	1.8
185.13290	2.5
186.10431	1.5
187.11115	3.0
187.14729	3.5
189.12741	3.8
197.13280	8.2
197.15179	1.7
199.14821	35.0
201.12753	7.7
203.18010	2.1
213.16380	9.5
214.17238	2.0
215.14320	2.2
215.17964	4.2
228.11971	1.7
237.12451	13.9
239.17963	14.5
239.20056	2.2
257.04910	1.5
257.08124	2.1
257.19028	100.0
257.63757	2.3
259.67813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05508	6.6
56.96563	2.3
57.03428	2.0
57.07078	1.6
60.98768	1.1
65.03922	1.9
67.05503	10.4
69.03426	2.2
69.07067	6.3
71.04996	4.9
71.29774	1.8
79.05494	12.0
81.07054	10.2
83.04979	1.8
83.08604	2.8
85.06530	3.1
91.05482	10.8
93.07045	20.6
95.04993	5.0
95.05495	0.9
95.08607	15.9
97.06527	2.0
98.97585	6.8
99.08119	1.7
103.05460	3.4
105.07032	31.1
107.04956	2.0
107.08592	20.1
109.06519	8.0
109.10161	16.6
111.08067	4.0
113.71870	1.0
115.05399	2.3
116.98617	2.2
117.07016	6.0
119.08576	23.2
121.00708	1.1
121.06490	2.1
121.10146	99.4
123.08080	4.3
123.11705	2.7
128.06174	2.2
129.07013	3.6
131.04929	4.6
131.08566	16.1
133.07613	2.3
133.10120	10.5
135.08061	26.0
135.11682	4.0
137.09608	7.6
141.07033	1.1
142.07719	5.6
143.08572	15.9
144.09322	2.4
145.10127	13.4
147.04448	1.3
147.08026	1.9
147.11693	3.3
149.09563	6.0
151.11174	1.3
155.07222	1.1
155.08566	2.9
156.09377	1.3
157.10129	18.5
158.10909	3.0
158.99666	2.2
159.07988	1.7
159.11681	11.6
161.09679	1.8
161.13255	2.7
163.11177	4.5
168.09357	1.1
169.10144	8.3
171.11728	8.8
173.09543	2.4
173.13264	18.8
174.13849	1.0
177.12758	1.9
183.11687	7.8
184.12442	1.9
185.13229	2.4
187.11221	2.9
187.14864	3.6
189.12717	1.6
197.13321	7.2
199.14827	34.8
201.09198	1.4
201.12770	4.5
207.10080	1.0
211.14905	1.2
213.16386	8.0
214.17094	1.0
215.14471	2.0
215.17960	5.7
228.11923	1.9
237.12582	1.9
239.17996	11.6
257.04529	3.0
257.08185	2.5
257.15628	3.2
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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03942	2.2
55.05515	10.5
56.96546	1.0
57.03418	1.4
57.07073	2.4
59.04992	1.0
65.03946	1.8
67.05509	30.9
69.07058	6.8
70.95317	1.8
70.95654	1.4
71.04987	3.2
79.05497	8.5
81.07062	17.9
83.08627	3.2
85.06538	2.4
90.33088	0.9
91.05486	22.6
93.07043	10.3
95.04971	1.7
95.08614	8.2
96.76857	0.7
97.06548	2.1
98.97570	2.4
99.08064	0.9
101.33059	0.8
102.44745	0.9
103.05446	0.9
105.07034	20.9
107.04933	1.6
107.08607	8.2
109.06527	2.2
109.10155	8.2
111.08064	1.6
115.05479	4.2
116.06234	3.2
116.98609	1.3
117.07021	42.2
117.07867	2.0
119.08588	11.3
121.06504	1.2
121.10149	27.9
123.11667	1.3
125.09639	1.9
128.06226	7.2
129.07014	33.3
130.07829	4.5
131.08577	82.6
133.06572	1.0
133.10146	10.9
135.08057	7.2
135.11668	1.8
137.09598	2.7
138.05183	0.8
141.06990	13.8
142.07813	5.8
143.08566	29.3
145.10130	100.0
147.08069	1.7
147.11678	3.6
147.26932	0.9
149.09630	2.3
153.07086	1.2
154.07758	3.8
155.06042	0.9
155.08563	15.5
156.09360	1.6
157.10133	25.7
159.08075	2.9
159.11699	43.2
161.09587	2.1
161.13255	1.7
163.11182	1.7
167.08591	1.2
168.09360	2.3
169.10136	17.0
171.11697	40.8
173.09625	1.3
173.13277	21.3
175.11134	2.7
181.10133	1.8
182.10933	1.3
183.11707	34.7
185.13277	6.2
187.11177	2.4
187.14838	2.8
189.12694	1.9
196.12491	1.8
197.13268	21.3
198.14090	1.1
199.14832	11.5
201.12822	1.7
210.14081	1.8
211.14830	5.4
213.16341	5.7
215.17978	2.4
229.19476	2.4
239.17960	48.8
253.30809	1.0
257.19022	96.5
257.26614	3.4
274.74814	0.9
274.97626	1.0
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	Montiporyne F
Peak:m/z	Relative Intensity
53.03935	0.7
55.01871	0.8
55.05514	4.2
56.96551	1.1
57.03423	0.5
57.07076	3.0
59.04988	0.9
59.68290	0.6
65.03951	0.9
67.05504	7.4
69.03424	1.2
69.07067	5.0
70.06590	1.7
70.20337	1.1
70.20720	1.4
70.87969	0.5
71.04996	5.2
71.06904	0.6
71.08620	0.6
79.05492	7.9
81.07060	7.4
83.04979	2.0
83.08605	1.9
85.06542	3.4
88.07611	1.7
91.05478	8.7
93.06477	1.0
93.07044	17.0
95.04972	3.4
95.08611	12.1
97.06519	2.2
97.10191	0.7
98.21429	0.7
98.97586	3.4
99.08099	1.1
99.68549	0.5
102.09171	0.8
103.05460	1.4
105.07030	22.4
107.08594	14.6
109.06523	6.6
109.10155	10.6
111.08075	3.1
112.76237	0.5
113.09638	0.5
115.05457	1.1
116.60221	0.5
116.78852	0.5
116.98611	2.1
117.07024	5.7
119.08585	21.5
119.64506	0.5
121.06548	0.9
121.10143	67.6
123.08055	3.5
123.11720	2.4
125.09566	0.7
128.06219	2.4
129.06973	5.2
130.07790	1.6
131.04936	0.6
131.08569	14.6
133.06660	0.7
133.07639	1.6
133.10127	11.6
134.99677	1.4
135.08055	20.1
135.11685	2.8
137.09613	6.7
141.07002	1.7
142.07777	5.5
143.08556	15.9
144.09320	2.4
145.10123	17.3
147.08087	0.9
147.11697	4.2
149.09619	3.9
149.13292	0.7
151.11188	1.5
153.07024	0.8
154.07784	0.7
155.08560	3.8
156.09348	4.0
157.10132	21.1
158.10896	3.8
159.08023	1.6
159.11691	19.6
160.12584	0.6
161.09644	2.2
161.13263	2.2
163.11163	5.4
165.12663	0.8
167.08519	0.9
168.09360	2.2
169.10136	8.9
170.10884	1.5
171.11691	11.4
172.08861	0.6
172.12419	1.2
173.09654	2.5
173.13274	23.2
174.14015	2.5
175.11127	2.5
175.14825	2.4
177.12758	2.0
181.10089	1.0
182.10922	1.8
183.11690	10.4
184.12480	4.0
185.09665	0.6
185.13249	2.5
187.11177	6.2
187.14798	4.4
188.11975	1.0
189.12794	1.9
195.08015	0.6
195.11693	1.9
196.12521	1.3
197.13264	8.1
199.14819	30.6
201.12772	7.5
209.13240	1.3
210.14117	0.8
211.14778	1.3
213.13074	0.6
213.16393	10.1
214.17122	2.8
215.14445	2.8
215.17960	8.7
224.15706	1.3
229.15865	0.8
229.19470	0.8
239.17953	14.1
257.19012	100.0
257.26645	21.6
258.19415	1.1
258.28058	1.4
274.97543	1.9
277.68646	0.5
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	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03932	0.5
55.01863	0.7
55.05512	7.9
56.96569	0.7
57.03430	1.2
57.07074	1.1
57.65065	0.4
59.04997	0.3
60.08168	0.5
65.03939	0.7
67.05508	17.3
69.07071	4.5
71.04994	0.5
71.14965	0.4
79.05495	9.5
81.07063	10.9
83.08624	2.4
85.06547	0.7
91.05484	14.2
93.07045	6.5
95.04987	0.6
95.08610	11.1
97.06540	0.8
97.10157	1.1
98.97594	1.0
103.05467	0.5
104.06298	0.4
105.07037	15.5
107.04975	0.6
107.08596	4.8
109.10158	4.1
113.09652	0.7
115.05451	1.9
116.06246	1.2
116.98627	0.7
117.07021	17.6
119.08585	11.1
119.09447	0.4
121.06555	0.6
121.10146	4.1
123.08049	0.6
123.11716	0.7
125.09650	0.7
128.06198	2.1
129.07011	8.2
130.07828	2.7
131.08574	26.6
133.06516	1.2
133.10136	9.3
135.08064	1.0
135.11723	1.9
137.09607	0.8
140.53828	0.3
141.06981	3.3
142.07768	2.3
143.08560	10.5
144.09322	0.8
145.06496	3.9
145.10129	61.3
146.38654	0.3
147.08093	2.1
147.11693	7.4
149.09612	1.2
149.13293	0.4
153.06963	0.5
154.07816	0.9
155.08548	4.8
156.09367	1.0
157.10133	10.4
158.07231	0.8
158.10942	0.4
159.08105	1.8
159.11703	16.7
160.12413	0.4
161.09593	1.9
161.13246	2.4
163.11209	1.2
167.08513	0.4
168.09373	0.8
169.10141	7.5
171.11693	12.9
173.09596	1.9
173.13271	6.7
175.11183	2.4
175.14883	0.5
177.12695	0.5
181.10117	0.5
182.10974	0.5
183.11696	7.3
185.09836	0.4
185.13268	3.2
186.14104	0.7
187.11195	10.4
187.14795	3.7
189.12741	0.6
196.12640	0.4
197.13280	8.3
198.13966	0.4
199.14848	1.2
201.12764	1.0
201.16394	0.7
210.13954	0.5
211.14882	1.5
213.16418	1.5
215.14287	2.4
215.18030	1.2
229.19521	29.2
239.17969	13.4
239.20451	0.5
257.19016	100.0
257.30292	2.2
258.19418	0.7
263.62521	0.4
266.00989	0.3
274.97580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2321
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
53.03940	2.1
55.01862	3.0
55.05515	73.3
57.03440	8.4
57.07080	76.7
59.04990	1.9
67.05508	36.0
69.07073	100.0
69.26914	14.7
70.21213	1.8
71.04998	8.1
71.08636	49.4
73.06534	5.0
73.58073	1.5
79.05495	24.4
81.06588	2.6
81.07063	62.4
83.04995	10.7
83.08624	76.7
85.06545	6.7
85.10188	23.5
86.55287	1.7
87.08149	1.6
91.05478	5.0
93.07051	45.9
95.07991	2.5
95.08614	47.8
97.06539	30.0
97.10176	51.2
98.21630	3.1
98.98463	11.7
99.08085	4.1
101.06037	4.2
101.09679	2.0
105.07070	1.9
107.08604	33.2
109.10170	25.1
111.08086	19.2
111.11719	11.3
113.09628	3.5
115.07587	8.3
115.11174	1.9
121.10154	40.2
123.11710	14.5
125.09630	16.2
125.13285	3.3
127.11185	2.9
129.09126	4.0
135.11688	37.1
137.13287	9.5
139.11201	20.9
143.08554	1.8
143.10649	4.0
145.10161	2.1
149.13278	33.6
151.14864	1.8
153.12747	16.5
157.12244	4.8
159.59964	1.6
163.14835	23.0
167.14351	11.2
171.13872	3.2
177.16408	6.0
181.15916	7.9
191.17966	1.9
195.17491	3.6
195.21056	3.2
219.21091	60.1
222.01021	1.7
237.15820	2.0
237.22148	33.3
244.59912	1.7
252.64333	1.7
255.17561	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	256.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.1
56.96571	5.0
57.03434	20.7
58.99857	2.0
59.05001	5.4
61.02923	12.3
69.03439	7.5
69.53866	7.0
70.98104	1.8
71.01372	5.1
71.04976	3.7
73.02919	11.4
75.07054	0.9
75.76441	1.0
79.70638	0.9
80.05010	2.2
81.03410	1.9
82.01439	1.5
82.67058	1.2
83.01335	2.4
85.02905	15.0
86.06090	1.3
87.04467	8.2
87.05557	1.1
89.02399	3.0
92.80278	1.1
95.01325	1.6
96.01559	1.0
97.01374	3.6
97.02891	7.4
98.03207	1.2
98.20727	1.4
98.97572	6.0
99.04453	2.1
100.02481	3.3
101.00864	4.9
101.02377	14.8
101.06003	1.1
103.03938	2.4
106.02908	1.2
109.02932	1.1
110.68932	1.1
110.97570	1.1
111.00816	1.9
113.00881	1.3
113.02370	2.3
113.83672	1.1
115.02442	13.1
115.03933	19.9
116.98611	1.7
117.01856	1.3
117.03990	4.3
118.03557	1.4
119.01929	8.5
119.03384	1.2
120.65689	1.0
123.04726	2.0
123.05550	21.3
124.03957	100.0
124.05898	20.8
124.95530	1.5
125.07130	3.2
127.03875	3.1
128.98610	2.1
129.01846	23.3
131.01875	3.4
133.03494	7.5
133.04990	9.3
133.36452	1.2
135.05003	1.8
138.05499	14.0
141.01184	1.7
142.96465	1.4
143.01895	4.3
143.03384	12.2
145.03439	4.2
145.04895	2.7
146.99614	1.2
147.01300	1.1
147.02951	1.6
150.01796	3.7
153.05801	1.2
157.01341	15.1
157.03484	2.4
160.04761	5.3
161.02986	4.4
161.04442	20.3
162.03481	1.5
169.05293	2.4
170.96146	1.7
171.01381	4.4
171.02911	7.3
173.02937	1.9
174.04488	1.3
174.99167	1.6
175.00719	1.2
175.04568	2.4
180.66212	1.0
183.05106	1.2
184.01242	1.6
184.04521	2.9
185.02901	1.2
185.86273	1.1
187.00861	3.0
188.97104	2.6
189.02441	5.3
189.03951	52.3
191.02135	1.2
191.86691	1.2
193.00195	1.4
194.03284	1.1
203.03870	1.0
203.05519	18.1
205.01869	3.4
207.03438	1.3
207.05165	1.7
212.04121	7.0
215.00400	3.6
220.99719	1.6
221.06619	6.5
224.07611	1.5
226.02457	1.2
230.05115	2.9
232.99438	1.4
233.01460	17.5
235.02811	2.3
247.05211	1.3
251.02528	25.3
256.03061	34.3
256.05801	2.4
256.08185	8.0
256.12946	1.5
256.26358	2.6
274.04080	15.7
279.04871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1956
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03945	2.7
55.01852	4.6
55.05511	18.7
56.96546	5.1
57.03445	11.8
57.07062	7.2
59.05011	9.2
67.05505	37.0
69.03423	4.6
69.07068	26.5
71.04993	8.4
71.08619	3.7
71.54522	1.6
71.54881	1.5
75.04483	10.1
79.05497	22.6
81.07058	100.0
83.04977	11.5
83.08610	9.9
84.38262	1.7
85.06545	19.7
87.04458	5.2
91.05482	13.9
93.06475	3.2
93.07044	45.1
95.04953	6.1
95.08609	61.8
97.06532	15.8
97.10158	11.3
98.97560	6.4
98.98470	19.7
102.66422	1.8
105.07031	47.0
107.04942	6.7
107.07903	2.2
107.08598	38.3
109.06506	6.8
109.10167	26.8
111.04445	5.4
111.08067	5.8
111.11732	9.0
113.06024	10.6
115.07507	4.6
116.98615	3.4
117.07037	6.0
119.08577	34.4
121.06466	3.3
121.10147	33.7
123.08042	7.6
123.11697	8.2
125.09608	7.0
127.03871	1.8
127.07535	3.3
127.11178	1.6
129.07010	3.1
131.04878	3.0
131.07005	1.7
131.08566	11.9
133.06422	2.4
133.10101	9.9
134.68210	1.8
135.08055	3.7
135.10707	2.2
135.11700	30.2
137.06075	1.9
137.09581	2.5
137.13235	5.3
139.06813	1.6
139.92891	1.7
141.09019	2.0
143.08591	3.9
143.10655	7.8
144.09322	1.8
145.10129	33.3
147.11670	4.8
149.09592	3.3
149.13287	10.9
151.14780	2.9
157.10109	6.2
158.99666	2.1
159.08041	4.8
159.11694	30.1
161.09560	2.5
161.13261	26.6
163.11145	4.0
163.14824	23.9
165.07124	1.6
169.10187	1.7
171.11668	4.6
173.13229	7.1
175.14778	6.1
177.09142	2.6
177.12788	3.0
177.16356	5.3
179.10625	2.6
179.14330	12.0
183.11714	3.9
191.17926	6.3
193.04988	1.9
195.11792	2.6
197.09645	2.4
197.13313	3.1
199.11182	3.1
199.14845	2.1
201.12701	3.6
201.16383	30.3
212.16415	1.7
213.16270	1.9
219.13916	10.8
219.17412	28.8
219.20940	2.5
227.14328	2.1
237.14752	23.6
237.18498	17.2
255.06502	4.7
255.13742	8.1
255.17726	9.6
255.19653	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	255.1956
Annotation	[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol
Peak:m/z	Relative Intensity
51.44673	4.2
53.03958	8.3
55.01878	13.0
55.05511	15.0
56.96585	5.0
57.03423	12.8
57.07064	6.7
67.05489	18.4
69.03426	36.6
69.07060	24.6
69.32080	40.7
71.04995	57.7
79.05497	45.0
80.59446	4.8
81.03410	5.9
81.07065	82.5
83.04990	8.1
83.08624	9.7
85.02905	14.7
85.06569	7.7
91.05486	29.2
92.98367	5.1
93.07041	35.3
95.01340	13.1
95.04971	23.7
95.08608	21.5
97.06555	26.1
98.97596	13.1
98.98474	17.8
99.08109	10.3
103.05466	6.3
105.07030	33.1
107.04951	10.1
107.08612	30.9
109.06524	45.6
109.10148	28.3
119.08575	21.8
121.06453	8.1
121.10168	20.2
123.04493	7.6
123.08047	9.9
123.11697	19.5
125.09624	13.0
127.11207	63.8
129.06967	6.2
131.08617	10.5
133.10114	52.6
135.08046	9.0
137.05984	13.9
139.03978	6.0
143.10690	14.8
145.10156	23.8
147.08034	11.3
147.11720	11.9
151.11188	100.0
155.10686	27.6
159.11697	11.9
163.07544	5.5
165.09116	14.0
175.99899	4.6
181.08655	5.5
191.18002	5.4
193.08644	5.6
195.06674	6.2
201.16351	11.9
219.17534	8.6
237.14803	6.9
237.18576	31.1
255.06352	6.7
255.08612	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	255.1955
Annotation	[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol
Peak:m/z	Relative Intensity
53.03935	4.5
53.49228	2.7
55.01873	6.7
55.05504	15.2
56.96558	12.2
57.03418	7.7
57.07081	6.8
59.05001	4.3
65.03929	4.7
67.05495	22.2
69.03429	15.6
69.07069	17.1
69.95531	17.8
71.05000	34.3
79.05490	18.2
81.03431	3.8
81.07059	58.9
83.04964	8.9
83.08619	9.5
85.02931	7.6
85.06547	10.1
91.05488	28.1
93.07044	36.8
95.04956	10.1
95.08613	35.6
97.02888	4.0
97.06518	9.0
98.21432	5.7
98.97581	21.1
98.98454	27.7
99.04465	5.7
99.08098	4.2
103.05477	8.0
105.07030	54.2
107.04976	11.1
107.08591	31.7
109.06525	21.2
109.10164	23.6
111.08067	7.0
116.98667	8.6
117.07046	4.7
119.08568	16.8
121.02869	15.1
121.06532	5.0
121.10134	15.6
123.04431	4.7
123.05538	9.3
123.08082	16.9
123.11716	15.9
125.09621	10.1
127.03922	6.8
127.11225	30.9
131.04941	22.6
131.08568	9.2
133.10136	100.0
135.08031	4.2
135.11679	7.8
137.09647	6.4
139.03937	7.6
139.11166	7.0
141.09117	10.9
143.08443	3.7
143.10652	10.3
145.10127	21.9
147.04405	8.6
147.11647	9.0
149.13228	4.9
151.11209	67.7
153.01881	3.9
155.10703	21.1
157.10077	3.3
158.99701	4.7
159.11705	7.6
167.00145	5.6
173.13269	4.1
177.05527	5.5
201.16368	7.5
219.13770	6.0
219.17369	10.0
227.07085	5.9
234.06654	3.7
237.14795	7.5
237.18451	29.3
255.06534	19.5
255.10431	14.8
255.15425	6.2
255.17752	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	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01674	0.1
55.01878	1.7
55.98686	0.2
56.96571	0.4
57.03440	3.6
59.04983	0.3
60.26009	0.2
61.02930	1.0
64.59444	0.2
69.03435	1.5
69.58186	0.5
69.58614	0.8
71.01363	0.9
73.02918	2.1
78.03468	1.1
80.05021	2.4
85.02910	2.7
87.04496	0.3
96.04504	0.5
97.02885	1.4
98.97567	0.3
101.00858	0.2
103.03957	0.4
106.02919	5.7
115.03940	1.3
123.05558	100.0
124.03948	0.8
127.03880	0.2
130.72205	0.2
133.04974	2.8
138.31528	0.2
143.01834	0.2
152.70566	0.2
160.27695	0.2
175.04701	0.2
185.02914	0.3
190.98720	0.3
195.36491	0.2
208.99762	0.4
245.04985	0.4
255.06441	0.4
255.09850	0.6
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
53.03936	5.4
55.01860	3.1
55.05515	27.9
56.96567	4.1
57.03438	40.6
57.07060	8.1
65.03929	2.2
66.55305	1.8
67.05508	81.8
69.07069	27.2
69.61739	12.9
71.01337	3.9
71.04969	7.9
71.08643	2.4
71.58391	1.9
77.03191	1.6
77.03945	1.9
79.05496	58.9
81.03404	11.5
81.06604	2.1
81.07059	37.6
83.04980	18.9
83.08644	10.5
85.06519	7.2
91.05467	29.5
93.07045	76.0
95.04948	7.9
95.08614	18.8
97.06535	27.2
97.10181	14.5
98.97548	3.4
98.98479	25.0
99.04498	2.0
99.08087	5.3
105.07033	10.4
107.04943	3.3
107.08595	50.4
109.06493	2.5
109.10175	12.8
111.08047	5.2
117.07000	6.4
119.08598	8.8
121.06467	3.0
121.10163	17.1
123.11661	2.3
129.07005	2.0
131.08569	2.1
133.10106	6.0
135.07979	3.9
135.11705	100.0
137.09618	2.8
145.10114	17.6
153.12685	3.9
163.11217	11.9
173.05887	2.1
173.13213	2.3
181.08591	2.2
181.12242	17.6
195.06450	2.6
219.01862	1.9
219.21083	2.4
255.06497	4.7
255.15848	77.9
255.22932	2.3
255.25142	5.4
256.26425	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Nardosinanol H
Peak:m/z	Relative Intensity
52.93547	1.1
53.03938	1.3
54.72752	0.8
55.01873	3.3
55.05496	4.2
57.03425	3.4
57.07081	7.1
65.03954	1.2
67.05182	1.5
67.05509	21.5
69.03416	2.7
69.07054	3.9
70.07565	4.3
71.04992	22.4
79.05502	10.3
81.03375	1.7
81.07059	8.6
83.04967	3.1
85.02893	1.1
85.06547	100.0
87.04470	1.2
91.05485	15.4
93.06503	1.1
93.07050	18.9
95.04951	1.8
95.08602	6.0
97.02921	2.4
97.06511	4.9
98.21389	1.3
98.97581	3.5
98.98444	4.3
103.05460	2.5
105.07027	16.2
107.04937	3.6
107.08607	9.9
109.06516	4.4
109.10126	2.3
112.60909	0.9
113.06020	1.1
115.05433	1.6
115.35036	0.9
117.07023	12.1
119.08570	7.5
121.06500	3.5
121.10108	4.0
123.08076	5.8
129.06990	3.3
131.04929	5.2
131.08580	16.3
133.06494	2.0
133.10112	8.6
135.07109	1.3
135.08054	12.9
135.11676	2.6
137.09605	1.1
139.07506	1.1
141.06984	4.2
142.07741	2.3
143.08574	2.3
145.06523	1.3
145.10117	8.6
147.04402	1.2
147.07988	5.8
147.11665	5.2
149.09615	5.5
149.13335	1.3
151.07532	2.1
153.09103	23.8
155.08527	4.6
157.10165	6.7
158.99501	1.2
159.08102	4.6
159.11691	20.7
161.09637	1.0
163.07544	3.6
163.11060	1.8
163.14793	1.1
165.09132	1.5
167.06995	1.3
167.10706	1.8
168.09467	1.4
173.09554	1.2
173.13272	11.3
175.11183	2.7
177.09088	3.9
177.12737	3.3
179.10591	1.3
181.08629	1.4
183.10190	0.8
183.11687	15.5
189.12685	1.6
190.85114	1.0
191.10619	0.9
191.14273	4.4
193.12152	2.6
195.10237	1.1
201.10847	1.2
201.12741	23.7
207.13795	3.4
213.58041	0.9
219.11778	1.9
219.13812	28.8
222.58575	1.3
225.14825	1.7
234.06374	1.9
237.14854	27.3
237.18428	1.7
255.15869	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	254.1178
Annotation	Clathryimine A
Peak:m/z	Relative Intensity
55.01876	0.7
56.96551	0.8
57.02651	0.3
65.03929	1.0
67.05500	0.5
69.03412	0.5
69.07061	0.4
70.87264	0.4
70.87605	0.5
73.30619	0.3
79.05479	0.7
79.11803	0.3
79.53596	0.3
81.03405	0.8
81.07037	0.6
91.05485	14.1
93.07025	0.5
94.07389	0.3
95.04958	1.7
98.97591	1.2
98.98463	1.4
107.04959	3.5
107.08608	0.4
116.98611	0.3
118.06536	0.8
119.04946	31.5
129.06987	1.2
131.08577	0.3
137.05994	4.0
142.07782	1.0
144.05640	0.9
152.06215	1.4
157.06482	1.5
157.10167	2.0
160.07558	1.2
161.02904	0.4
165.07001	1.7
166.07832	0.3
167.08568	4.5
169.06462	0.7
170.07254	1.2
171.08122	0.4
185.09637	3.7
195.08044	6.0
198.06734	1.5
205.07552	0.3
206.08150	0.4
212.10739	0.4
213.09105	23.7
254.11768	100.0
255.12199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0653
Annotation	Chrysin
Peak:m/z	Relative Intensity
55.05508	0.9
56.96559	0.7
57.03436	1.0
57.07070	0.8
67.01856	1.3
67.05510	1.8
68.99789	1.3
69.07067	1.6
69.87836	1.0
69.88235	0.7
70.06560	0.4
71.04992	0.7
74.71334	0.3
79.05492	2.1
81.07061	1.5
83.04959	0.8
83.08605	0.8
84.99374	0.3
85.06561	0.6
91.05491	1.1
93.07034	2.4
95.04969	0.4
95.08611	0.8
97.06516	0.6
97.10153	0.6
98.20786	0.3
98.97593	0.6
98.98459	3.6
102.09190	0.5
103.05472	2.2
105.03374	0.7
105.07025	0.5
106.77091	0.3
107.08607	2.7
107.31743	0.3
109.10157	1.0
117.07053	0.7
119.08603	0.8
121.10176	0.8
129.03375	1.0
131.04181	0.4
131.08609	0.3
135.08023	1.1
135.11723	2.2
143.08575	0.5
145.10121	0.9
147.04413	1.2
149.13254	0.4
153.01831	7.3
157.10196	0.4
163.07587	0.5
163.11159	0.4
199.11311	0.3
199.13377	0.3
209.05994	0.8
213.05772	0.4
213.07942	0.5
213.12657	0.4
218.24504	0.4
255.06528	100.0
256.06821	0.7
256.26382	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71944	1.9
53.03942	5.1
55.01874	7.6
55.05507	4.8
55.20080	2.0
55.20397	1.8
56.05037	3.1
56.96568	96.5
57.03444	14.2
57.07071	1.9
59.04996	4.7
61.02927	19.8
63.68786	2.1
67.05488	4.6
68.30508	2.1
69.03437	33.5
69.07074	3.8
69.52530	14.9
70.06595	10.7
70.98121	4.0
71.01357	51.5
71.04999	5.4
71.95271	6.0
72.08142	2.5
72.96041	2.3
73.02919	19.8
74.97590	2.9
75.04489	13.4
79.05473	6.6
81.03413	14.3
81.07065	7.4
83.01338	4.3
83.06105	2.8
84.04499	4.5
84.06298	1.9
84.08116	3.0
84.96040	21.8
85.02430	4.1
85.02905	48.4
86.03247	2.3
86.09706	3.2
87.04469	8.2
91.03949	4.8
91.05481	4.9
95.04971	4.2
95.06084	7.6
97.02905	34.8
97.96870	2.1
98.03199	2.7
98.06091	2.5
98.09691	8.0
98.20814	4.0
98.97590	90.4
98.98475	8.5
99.00822	2.5
99.04466	4.5
100.99172	2.3
101.00873	4.4
101.02407	4.9
103.03958	18.2
105.03454	2.2
107.04940	8.1
107.08606	2.0
109.02875	8.1
110.01239	3.7
110.07181	14.3
110.97577	22.7
111.00788	3.0
111.04446	5.3
112.07586	4.5
112.96667	2.5
112.99142	11.7
113.00877	2.1
113.02368	6.2
115.00684	2.3
115.03938	3.9
116.03445	3.6
116.98627	43.7
117.01863	9.6
118.92069	2.9
119.01856	8.4
119.04945	6.0
123.04562	3.8
123.05563	38.5
124.07580	4.4
124.99139	6.4
125.02415	2.7
125.95321	2.3
127.00273	5.2
127.03920	19.2
127.04987	4.8
128.02289	4.6
128.98604	16.5
129.01884	4.5
129.10228	2.6
130.93292	3.8
131.00157	7.7
131.01869	3.7
131.03406	39.7
133.01672	2.1
133.04985	9.8
134.99704	13.0
136.06158	5.2
136.07582	5.7
136.93102	4.6
137.02779	2.6
137.06009	13.2
137.07938	5.0
140.98633	3.6
141.01973	8.1
142.96539	3.6
143.00168	12.5
143.01944	5.1
143.03468	4.1
144.98163	3.4
145.01732	4.3
145.03482	2.5
145.03815	2.8
145.04970	22.2
146.99654	10.1
147.03221	4.5
147.04417	8.8
148.65836	2.6
149.01140	5.0
152.02354	2.6
152.98569	3.1
153.00574	2.6
154.94197	5.4
154.96352	2.1
155.04623	4.3
157.01799	2.1
157.03636	4.3
157.04936	20.5
158.99672	21.4
159.02898	100.0
160.97606	5.5
161.01221	9.7
161.02722	4.2
163.06067	3.8
163.12308	5.9
165.00706	3.5
167.00200	4.7
169.01489	3.5
170.03105	2.9
170.99638	15.0
172.95277	4.6
173.01323	3.9
173.02905	4.6
173.04625	4.0
174.99185	3.9
175.02667	4.7
175.04312	2.5
177.00772	10.6
177.02216	2.3
177.04163	5.2
181.05460	2.1
181.54311	2.5
182.03502	9.1
182.08263	3.5
182.99629	5.8
183.08493	4.5
184.97565	3.7
185.01237	17.7
185.02789	4.7
186.04526	4.1
186.99030	3.4
187.02757	7.9
188.97176	4.4
189.00679	20.4
189.04271	6.0
190.91853	2.5
190.98640	4.4
191.00464	2.7
191.02242	4.8
191.03891	9.7
191.05540	21.2
192.96620	2.3
193.00209	4.1
195.11243	3.7
199.04396	4.9
200.04402	2.6
201.00587	14.1
201.03905	3.7
202.98651	6.8
203.02272	8.6
205.00175	3.5
207.01762	3.8
208.04907	12.2
208.14474	13.8
208.92812	2.6
212.98561	4.5
213.00755	7.1
213.04396	3.2
217.05556	6.5
219.01813	10.5
219.05014	83.5
230.94812	3.0
230.98087	14.9
231.01717	27.4
231.03627	3.5
236.06763	4.1
236.09151	3.2
237.02798	13.1
237.06070	10.8
243.01733	3.4
245.05072	6.2
248.99171	56.0
249.02681	14.1
254.05501	12.7
254.10138	5.1
254.12384	4.5
254.14761	15.8
255.03877	5.4
261.02985	3.0
267.00241	27.3
272.00714	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	8.2
62.69627	1.2
70.34145	2.3
70.34536	2.2
71.01026	1.3
71.01357	8.4
71.05785	1.1
75.04486	16.4
87.04469	3.0
89.02418	2.6
98.20878	1.4
98.97598	1.5
98.98449	2.4
100.10246	1.5
103.03953	21.1
131.03389	4.7
159.02907	53.5
187.02379	2.7
189.43828	1.2
219.05017	100.0
244.27435	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
56.22937	1.2
56.96585	1.3
57.32561	1.4
60.30464	1.1
61.02922	4.3
67.54100	1.2
69.57532	2.8
69.57935	7.1
71.01358	7.2
75.04482	16.3
86.19062	1.2
87.04441	3.2
89.02414	2.2
91.49689	1.2
98.97596	1.5
98.98447	2.3
100.74251	1.2
103.03952	15.6
131.03352	4.7
159.02898	48.7
171.61322	1.2
187.02380	5.8
191.25244	1.2
204.78343	1.2
219.05009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2164
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03938	2.5
54.73499	1.7
55.01870	4.0
55.05514	56.7
55.66401	1.8
56.96557	4.2
57.03421	3.7
57.07076	16.1
67.05505	53.0
69.03408	1.8
69.07069	83.1
69.28622	7.4
69.29048	7.8
71.04996	11.0
71.08604	3.8
79.05499	23.7
81.07059	74.1
83.04965	5.8
83.08621	53.8
85.02884	2.4
85.06528	5.6
85.10184	2.9
91.05485	24.2
93.06489	2.1
93.07052	26.9
95.04962	2.9
95.08607	68.1
97.06531	14.7
97.10175	45.3
97.87360	2.0
98.97625	5.1
98.98470	100.0
99.08088	7.2
105.03397	2.1
105.07041	21.3
107.08591	30.7
109.06511	4.3
109.10157	33.6
111.08118	8.5
111.11718	20.5
111.90291	1.7
113.09637	4.0
115.07550	2.4
116.98563	2.1
119.08586	28.1
121.10151	29.6
123.08058	6.7
123.11716	16.2
125.09623	6.8
125.13261	7.5
127.07554	2.5
133.10129	27.9
135.11696	27.6
135.54858	1.5
137.09605	7.3
137.13226	8.2
137.78801	1.6
139.11203	6.0
141.09065	2.4
145.10204	2.0
147.10632	2.5
147.11694	22.8
149.13234	7.8
151.11174	9.2
151.14803	6.5
151.71046	1.6
153.12753	5.9
161.13266	17.7
163.14828	2.1
165.12758	10.4
174.99283	2.7
175.14824	5.1
176.98920	3.3
177.16399	2.8
179.14330	7.0
189.16394	3.9
191.17943	4.1
193.15991	2.1
193.19499	7.5
197.11746	3.0
217.12094	2.3
217.16202	1.8
217.19513	40.4
235.17015	3.0
235.20525	27.9
253.14381	7.2
253.17921	2.9
253.21651	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2164
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03950	2.7
55.05511	44.7
56.96562	4.8
57.03430	4.4
57.07072	12.9
59.04983	1.6
61.57345	1.3
65.03947	1.3
67.05503	41.3
69.03440	2.9
69.07069	72.0
69.71342	2.8
69.71757	5.5
69.82789	1.5
71.05008	8.0
71.08621	4.2
73.06527	2.0
78.18318	1.4
79.05492	20.5
81.07058	61.6
83.04977	4.9
83.08619	46.1
85.02899	1.5
85.06540	8.0
91.05473	20.3
93.07041	31.8
95.04963	2.1
95.08606	55.5
97.02914	2.0
97.06530	8.7
97.10171	37.7
98.20849	2.7
98.97625	3.2
98.98468	100.0
99.04453	2.4
99.08097	5.6
100.98911	1.7
105.07034	19.3
107.04892	1.7
107.08591	22.7
109.06525	2.8
109.10160	28.1
111.08068	9.4
111.11729	17.9
113.09624	1.9
115.07590	1.8
116.98633	2.9
116.99496	2.7
117.07011	1.9
119.08566	21.6
121.06499	1.5
121.10146	28.7
123.04398	1.8
123.08066	4.4
123.11703	11.9
125.09636	5.5
125.13293	3.6
127.07511	1.7
127.11189	1.6
129.06934	1.9
131.08568	4.8
133.10141	22.3
134.73778	1.3
135.11682	25.4
137.09578	7.9
137.13271	7.5
138.60768	1.4
139.11169	5.9
141.09100	1.7
143.08595	1.8
145.10146	4.5
147.11679	15.8
149.13226	6.5
151.11212	7.7
151.14819	5.8
153.12700	4.6
155.10704	1.9
157.10144	8.2
158.99673	1.5
159.11705	3.7
161.02942	1.6
161.13240	11.8
163.14832	2.3
165.06934	1.8
165.12750	6.4
169.12222	1.8
173.13245	1.5
174.99231	3.6
175.14810	5.3
176.98996	2.4
177.00702	1.6
177.16376	2.0
179.14352	4.3
183.13869	2.0
189.16380	3.7
191.17952	2.5
193.12178	1.7
193.15929	2.3
193.19539	5.6
197.11723	3.6
217.19513	29.9
235.16960	2.9
235.20575	19.8
253.08575	2.6
253.12471	3.1
253.15982	3.0
253.19508	3.5
253.21701	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	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
50.58472	1.1
53.03943	3.4
55.01868	4.9
55.05512	5.8
56.96563	3.5
59.41220	1.1
67.05518	10.0
69.03423	6.9
69.07078	5.1
69.58403	3.1
69.58833	4.4
71.05008	7.3
79.05502	23.0
81.03410	1.6
81.07066	43.7
83.04978	5.4
83.08621	2.7
85.02921	1.7
85.06553	4.5
91.05494	16.4
93.07051	37.1
95.04975	11.6
95.08611	20.3
97.02880	2.2
97.06534	16.1
98.97611	3.5
98.98476	29.5
99.04476	8.6
103.05450	1.6
105.07040	24.3
107.04967	13.8
107.08601	21.6
109.06527	33.8
109.10165	4.2
111.08073	3.7
113.06008	2.8
115.05507	1.1
117.07011	4.7
119.04917	1.3
119.08587	16.0
121.02885	1.2
121.06513	100.0
121.10132	4.7
123.04428	4.3
123.08096	5.8
123.11742	1.4
125.06010	3.2
125.09678	1.2
127.07593	11.6
128.06226	1.9
129.06981	6.5
131.08594	6.4
133.06494	2.4
133.10135	9.1
135.04411	5.5
135.08060	9.9
135.11716	1.6
137.06021	4.3
137.09561	1.7
139.07555	13.6
141.05472	2.0
142.07780	3.6
143.08572	10.3
145.10072	7.8
147.04466	2.0
147.08122	6.1
147.11703	23.3
147.53670	1.2
149.09639	3.4
151.07529	2.0
155.08528	1.2
156.09369	4.6
157.06526	1.7
157.08856	2.2
157.10124	12.1
158.99666	2.1
159.08080	1.3
161.05997	2.6
161.09622	3.0
161.13269	11.9
163.07411	1.4
163.11171	2.5
163.14830	3.1
165.07027	2.4
165.12759	4.1
166.07774	2.9
169.01855	1.2
171.08064	2.1
171.11702	13.1
173.09735	1.5
173.13142	2.1
175.11215	17.3
178.04507	1.2
178.07780	2.1
179.08546	2.7
181.10187	5.4
184.08786	2.8
189.12759	22.2
191.10677	1.2
191.14314	1.3
193.12244	14.8
197.11577	1.6
199.11203	31.6
207.08101	10.0
207.13824	11.5
216.51733	1.2
217.12262	89.9
235.07674	6.5
235.13313	49.0
235.17021	3.1
253.14362	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	253.18
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03947	3.2
54.80019	1.6
55.01873	2.9
55.05512	13.0
56.96570	8.9
57.03434	2.9
57.07074	4.5
65.03937	4.2
67.05505	28.6
69.03433	22.3
69.07073	15.5
71.04993	14.5
71.55005	1.9
73.06576	2.1
77.61243	1.7
79.05495	18.1
81.07063	40.7
83.04978	8.7
83.08614	5.0
84.96008	2.4
85.02904	4.4
85.06539	5.9
91.05481	22.8
92.07501	1.6
93.07050	29.8
95.04970	28.0
95.08613	15.9
97.02861	2.9
97.06544	9.7
97.10179	2.2
98.97593	40.6
98.98471	100.0
99.04433	2.8
99.08110	2.7
103.05465	3.6
105.03397	5.5
105.07034	24.4
107.04961	34.1
107.08605	31.0
109.02844	2.4
109.06547	13.3
109.10158	37.1
110.97564	4.3
111.04362	2.8
111.08076	5.6
113.06008	3.5
115.05473	6.7
115.85217	1.8
116.35791	1.7
116.98643	11.0
117.07014	4.7
119.04961	23.8
119.08585	22.2
121.02872	5.9
121.06507	17.4
121.10123	17.4
123.04454	4.2
123.08102	6.7
123.11681	5.1
125.09617	13.3
127.11255	2.9
128.98622	3.0
129.07033	2.9
131.04927	17.6
131.08578	7.7
133.06491	5.4
133.10124	24.0
134.99693	2.7
135.08086	4.3
135.11688	13.2
137.06026	3.7
137.09622	7.4
137.13234	1.8
139.07550	4.1
143.08597	4.2
145.10173	10.1
147.04420	88.3
147.08052	4.6
147.11696	27.2
148.04765	9.3
149.09622	7.1
149.13251	3.1
151.07631	2.4
151.11142	2.6
153.12764	4.0
156.09355	2.6
157.10150	5.0
158.99660	13.5
159.04402	16.7
159.11707	6.9
161.05956	2.5
161.09633	4.6
161.13216	5.9
163.11153	3.7
164.16322	1.9
165.12733	4.0
169.08652	2.2
171.11717	6.3
173.13321	2.7
175.11209	7.0
175.14754	2.5
176.99136	1.9
177.00694	8.0
177.12773	4.7
179.06984	2.3
179.08582	2.3
179.10661	1.7
181.34192	1.8
189.12747	12.4
189.16351	6.3
191.14343	4.6
191.17970	2.7
193.12312	4.3
193.15860	2.6
196.08633	7.0
197.04765	2.1
197.11745	3.4
199.11230	5.0
199.14807	2.1
205.12181	4.5
207.08078	3.9
207.13863	13.1
207.17404	2.2
207.59241	2.3
215.05893	6.4
217.12276	16.6
217.15887	9.6
219.01808	4.6
223.13463	2.3
225.09094	3.0
230.07787	3.5
232.08781	2.1
235.07571	6.4
235.13332	25.9
235.16927	20.4
235.20528	2.1
237.02861	6.1
238.86998	1.9
241.07185	2.2
248.08914	2.9
253.01796	3.2
253.08475	35.3
253.14305	34.9
253.17892	9.6
253.21687	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	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
56.29300	0.4
56.96568	1.1
57.03448	0.8
57.07079	0.6
59.05001	1.2
61.02927	2.1
67.05508	1.3
69.03435	4.5
69.07072	0.9
69.20718	1.0
69.21117	3.8
71.04997	1.4
73.02926	0.9
73.06559	100.0
79.05514	0.6
81.03414	1.9
81.07065	0.7
84.04495	0.7
85.02910	23.1
91.05493	0.6
91.07607	4.9
95.04977	0.8
97.02898	4.8
98.97614	1.2
98.98471	20.9
99.04479	0.7
100.98933	0.6
107.04951	1.2
109.02913	1.6
109.10159	0.8
110.07207	0.5
110.97491	0.4
112.99131	0.7
113.05996	0.5
127.03943	4.1
128.98625	0.6
130.05013	1.0
141.05511	0.5
145.04968	2.9
147.07603	0.8
149.02812	0.5
153.01868	0.8
174.99258	0.6
253.06622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58472	1.1
53.03943	3.4
55.01868	4.9
55.05512	5.8
56.96563	3.5
59.41220	1.1
67.05518	10.0
69.03423	6.9
69.07078	5.1
69.58403	3.1
69.58833	4.4
71.05008	7.3
79.05502	23.0
81.03410	1.6
81.07066	43.7
83.04978	5.4
83.08621	2.7
85.02921	1.7
85.06553	4.5
91.05494	16.4
93.07051	37.1
95.04975	11.6
95.08611	20.3
97.02880	2.2
97.06534	16.1
98.97611	3.5
98.98476	29.5
99.04476	8.6
103.05450	1.6
105.07040	24.3
107.04967	13.8
107.08601	21.6
109.06527	33.8
109.10165	4.2
111.08073	3.7
113.06008	2.8
115.05507	1.1
117.07011	4.7
119.04917	1.3
119.08587	16.0
121.02885	1.2
121.06513	100.0
121.10132	4.7
123.04428	4.3
123.08096	5.8
123.11742	1.4
125.06010	3.2
125.09678	1.2
127.07593	11.6
128.06226	1.9
129.06981	6.5
131.08594	6.4
133.06494	2.4
133.10135	9.1
135.04411	5.5
135.08060	9.9
135.11716	1.6
137.06021	4.3
137.09561	1.7
139.07555	13.6
141.05472	2.0
142.07780	3.6
143.08572	10.3
145.10072	7.8
147.04466	2.0
147.08122	6.1
147.11703	23.3
147.53670	1.2
149.09639	3.4
151.07529	2.0
155.08528	1.2
156.09369	4.6
157.06526	1.7
157.08856	2.2
157.10124	12.1
158.99666	2.1
159.08080	1.3
161.05997	2.6
161.09622	3.0
161.13269	11.9
163.07411	1.4
163.11171	2.5
163.14830	3.1
165.07027	2.4
165.12759	4.1
166.07774	2.9
169.01855	1.2
171.08064	2.1
171.11702	13.1
173.09735	1.5
173.13142	2.1
175.11215	17.3
178.04507	1.2
178.07780	2.1
179.08546	2.7
181.10187	5.4
184.08786	2.8
189.12759	22.2
191.10677	1.2
191.14314	1.3
193.12244	14.8
197.11577	1.6
199.11203	31.6
207.08101	10.0
207.13824	11.5
216.51733	1.2
217.12262	89.9
235.07674	6.5
235.13313	49.0
235.17021	3.1
253.14362	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	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33758	1.0
53.03936	2.4
55.01865	3.9
55.05516	10.1
56.96569	28.9
57.03442	8.6
57.07070	2.3
57.17183	1.0
57.86858	1.1
59.04959	0.9
60.04506	1.0
60.95857	1.2
61.02931	12.5
63.01979	1.1
67.05488	3.2
69.03433	27.0
69.07068	2.2
69.29742	1.8
69.30148	7.3
70.06588	3.5
70.98111	3.9
71.04969	3.2
71.95246	1.3
72.08157	1.6
72.96055	1.8
73.02929	6.5
73.06561	37.5
79.05483	4.5
81.03422	7.9
81.04535	2.0
81.07050	3.7
83.01328	1.2
83.04964	1.8
84.08137	3.5
84.96002	3.1
85.02909	100.0
85.06532	1.5
87.04448	4.0
91.03969	5.3
91.05460	2.5
93.06993	1.1
95.04953	3.2
95.08610	1.7
97.02291	1.9
97.02898	27.8
97.06528	1.8
98.97581	29.8
98.98456	74.1
99.04450	4.5
102.02281	1.8
102.96886	2.3
103.03924	2.1
103.05444	2.0
105.07037	2.5
107.04969	6.6
109.02895	12.1
109.10141	1.4
110.01230	1.0
110.07152	4.5
110.97607	5.2
111.04451	1.2
112.07585	2.6
112.99135	8.6
116.00219	1.3
116.98645	12.6
116.99470	1.9
119.01833	3.4
119.04923	2.6
120.08118	21.0
122.07160	1.6
123.04453	2.6
123.11732	1.1
123.75053	1.0
124.99100	1.4
127.03926	21.7
127.04903	0.9
127.11179	1.1
128.98578	5.8
130.08626	1.7
131.00198	7.8
131.01830	1.3
133.06496	1.1
134.99683	5.0
136.07565	4.1
137.05954	5.3
141.05449	3.5
143.00162	4.1
143.01840	1.5
145.04970	20.9
146.99675	2.8
147.03185	1.7
147.04404	3.7
149.01221	4.6
149.02562	1.5
150.05434	1.3
153.01863	7.7
155.04671	6.8
158.01161	1.1
158.99693	7.6
161.01207	3.4
161.02890	2.1
162.03613	2.1
163.06010	3.4
165.05511	2.3
170.99644	3.3
171.04158	2.5
171.54346	2.5
172.04573	1.1
173.02902	2.0
174.99147	4.0
175.02744	1.7
175.04410	1.4
176.99043	2.3
177.00687	4.2
179.02312	2.1
182.08109	2.9
182.99522	1.2
187.02780	1.9
187.04456	1.4
188.97064	1.8
189.00650	3.1
189.04250	1.8
191.03906	2.5
193.00186	1.1
197.01210	1.6
197.11737	3.9
198.00749	1.3
201.00691	1.5
206.98117	2.7
207.01749	3.3
212.07564	1.5
219.01797	4.5
229.00150	1.3
230.03223	1.5
230.08844	1.4
235.02780	2.9
235.04971	5.2
237.02824	4.7
244.07643	3.7
253.03740	4.1
253.06241	2.3
253.08473	2.3
253.11839	1.6
271.01257	1.2
271.04828	1.7
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	N-Feruloylglycine
Peak:m/z	Relative Intensity
56.96561	0.9
63.53893	0.4
70.67971	1.1
87.00827	2.6
91.05476	1.0
93.07048	1.5
96.02177	0.4
98.98424	0.5
103.05467	6.0
118.06554	9.0
120.08113	100.0
128.04968	1.4
131.04971	0.5
133.08894	1.8
136.06209	4.3
146.06018	16.5
148.11243	3.6
165.05966	0.4
166.08644	2.5
174.12834	0.7
180.08426	2.5
188.07079	20.5
192.06580	1.3
206.08139	71.1
208.11581	0.6
234.07559	2.4
234.13403	0.6
252.10587	17.6
252.14403	2.7
252.16788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	16.4
67.05471	0.5
71.56535	0.5
71.95253	1.5
72.96037	0.9
77.22971	0.3
81.06023	0.4
81.07040	1.0
84.28276	0.4
84.96033	1.3
91.05495	0.7
96.95791	0.5
97.99157	1.7
98.98476	4.9
103.74484	0.3
105.00166	0.4
109.10159	0.5
112.99043	0.4
115.00680	0.9
116.00237	1.1
119.01671	0.5
120.04840	0.3
129.02319	0.6
131.00182	0.6
137.02679	0.6
138.96758	0.7
141.02133	0.4
149.02722	0.5
151.04140	0.5
153.02275	0.6
155.03784	2.3
163.97728	0.8
167.03758	0.8
168.94287	0.4
169.01711	0.9
171.03331	0.5
173.04874	2.6
181.05389	2.8
183.06952	3.7
185.04811	2.1
185.08499	1.3
186.95253	0.5
191.05908	0.6
193.05403	0.5
196.06194	0.8
199.06436	15.6
201.08009	6.4
203.05823	2.1
203.09552	1.0
205.98750	1.1
211.06400	8.4
217.07500	12.0
219.09061	2.1
222.08026	1.5
224.09489	0.8
229.07486	100.0
235.08484	0.4
240.09010	0.7
247.08553	53.8
252.09091	16.9
252.11861	0.7
270.10132	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	252.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
54.55252	0.2
55.05514	0.5
56.96563	0.8
57.03447	0.4
59.82870	0.2
61.02934	0.3
68.62784	0.2
69.03431	0.3
69.34597	0.9
69.35024	1.3
70.06593	0.3
71.04970	0.3
71.26997	0.2
73.02924	0.4
79.05499	1.0
81.07064	3.2
84.04498	1.1
85.02934	0.3
91.05478	1.6
94.04048	1.0
95.04950	0.3
97.02857	0.3
98.97596	1.1
98.98476	2.7
102.05535	0.5
105.03395	5.6
107.04922	0.7
110.97556	0.4
119.03543	2.1
128.07089	0.4
130.05020	0.4
134.04408	0.3
136.06192	100.0
137.04631	1.2
150.30910	0.3
153.01796	0.6
154.02203	0.6
158.99731	0.3
178.05847	0.9
188.01869	0.3
188.54926	0.4
193.04546	1.0
202.43495	0.3
205.04968	0.4
206.05334	4.2
215.70383	0.3
220.07831	0.3
224.06372	0.3
231.08740	0.4
234.13512	17.2
237.03036	0.3
251.56590	0.5
252.05876	11.8
252.14561	63.8
253.14549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03939	2.4
55.01870	1.9
55.05510	8.2
56.96546	5.2
57.07061	5.5
59.04985	4.3
59.25484	1.1
65.03936	2.0
67.05186	1.2
67.05509	17.5
69.03436	8.7
69.07060	8.1
71.01365	1.3
71.04995	38.3
71.56451	1.3
79.05492	12.9
81.03408	4.1
81.07059	25.3
83.04978	7.7
83.08614	8.1
85.02895	3.0
85.06539	6.6
91.05483	27.6
93.06486	1.6
93.07040	22.0
95.04979	12.5
95.08617	19.1
97.06524	13.1
97.10194	1.9
98.97592	7.7
98.98467	100.0
99.04487	1.9
99.08085	1.5
103.05435	1.6
105.03381	2.6
105.07041	18.7
107.04944	4.3
107.08595	20.2
109.02850	2.4
109.06514	7.2
109.10161	13.7
111.04477	1.3
111.08092	8.2
113.05996	4.8
115.05476	1.9
115.07600	1.2
116.98634	2.5
116.99432	2.2
117.07008	5.0
119.08579	25.7
121.06492	5.4
121.10139	26.4
123.08086	9.9
123.11704	7.8
125.05984	12.9
125.09583	1.8
127.03990	1.3
129.07025	2.0
130.07771	2.1
131.08575	14.4
133.06497	2.9
133.07454	1.2
133.10146	10.8
135.08031	6.3
135.11719	9.0
137.05997	1.9
137.09621	29.4
139.07521	1.8
143.00146	1.2
143.08496	1.8
145.06490	1.8
145.10132	19.2
147.01292	1.4
147.04433	2.2
147.08052	34.8
147.11687	9.3
149.09613	10.9
149.13232	4.0
151.07516	3.6
151.11172	3.5
151.14821	1.8
153.09106	2.6
155.10728	2.7
157.10129	2.7
158.99712	2.0
159.11687	5.1
160.08807	1.5
161.05933	1.7
161.13345	3.0
163.11192	30.9
163.14828	3.9
165.09111	2.7
167.10687	1.8
173.09628	1.6
173.13251	6.1
174.99246	7.3
175.11192	9.4
177.00720	1.6
177.09056	2.0
177.12741	1.5
179.14311	10.9
181.12219	8.1
187.11150	2.4
187.14827	6.2
189.12750	1.9
191.10645	1.8
191.14233	7.7
193.12257	4.2
195.10098	1.8
197.13287	2.2
205.08661	1.9
205.15930	4.0
207.13814	4.0
210.24286	1.2
215.10765	2.6
215.14336	8.7
215.17873	4.1
221.07918	1.5
230.08058	3.3
233.08093	1.7
233.11792	2.3
233.15376	35.6
233.18921	7.2
239.08662	1.6
251.09351	1.6
251.12526	35.6
251.16415	54.6
251.20067	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	251.128
Annotation	Pterosin T
Peak:m/z	Relative Intensity
51.90851	2.0
52.83429	2.1
53.03935	7.3
54.50328	2.1
55.01883	10.8
55.05497	7.0
56.96551	4.9
62.82746	2.3
64.18079	2.2
65.03893	2.4
67.05500	21.7
69.03439	10.9
69.07063	8.4
71.04979	9.8
71.22846	3.8
71.23186	3.0
79.05493	33.8
81.03406	2.7
81.07051	32.5
83.04984	4.9
83.08595	2.7
85.02912	4.9
85.06538	13.6
91.05476	32.7
93.07046	72.3
95.04961	28.8
95.08606	13.7
97.06538	19.8
98.97556	3.8
98.97731	4.0
98.98468	81.6
99.04437	9.1
103.05470	2.5
105.07030	57.9
107.04955	20.2
107.08593	18.1
109.06528	41.4
109.10146	2.7
111.08076	14.1
113.06000	3.8
115.05452	4.5
117.07021	17.2
119.04940	13.7
119.08585	18.8
121.06504	52.5
121.10095	6.3
123.04440	3.7
123.08066	5.2
125.05986	4.0
127.07533	11.5
128.06293	2.8
129.06982	9.7
130.07774	3.2
131.04922	3.0
131.08559	24.2
133.06468	9.8
133.10101	7.7
135.02049	2.3
135.04367	2.6
135.08023	6.0
135.11685	6.1
137.05965	9.8
139.07541	44.3
141.06923	3.5
143.07199	2.1
143.08553	8.2
144.09348	7.0
145.06471	10.2
145.10126	76.3
147.11633	6.5
149.05966	4.0
149.09627	5.1
151.07494	4.0
154.07764	9.0
155.07040	2.4
155.08438	3.3
157.08621	24.5
157.09912	4.0
158.07253	8.1
159.08063	9.6
159.11693	45.0
161.09622	4.7
161.13170	3.4
163.07475	3.0
163.11189	24.5
167.08531	2.7
169.10121	17.1
171.11649	4.6
172.08815	6.3
173.09628	25.4
174.99153	2.4
177.12741	7.0
178.24997	2.3
179.08575	9.7
181.06522	2.7
182.07272	5.1
187.11172	79.8
187.12833	5.1
191.10646	18.7
195.30727	2.3
196.91721	2.4
197.09633	34.3
205.04836	2.3
205.12262	28.7
215.10678	100.0
221.11183	2.8
233.11739	41.4
233.15471	7.1
237.97533	2.1
238.22160	2.6
251.12727	26.3
251.16530	4.9
251.20074	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	251.1281
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03944	5.8
55.01866	7.5
55.05510	8.5
56.96564	3.7
57.03436	2.9
57.07076	3.6
59.19667	1.6
67.05519	17.0
69.03431	13.5
69.07080	8.5
70.18673	5.7
70.19076	3.4
71.01357	2.1
71.05006	7.9
79.05062	3.1
79.05497	35.0
81.03414	4.7
81.07063	56.8
83.04977	10.5
83.08623	2.5
85.02908	4.6
85.06540	3.4
91.05491	23.7
93.07051	45.0
93.07635	3.1
95.04984	23.4
95.08614	20.5
97.02924	4.5
97.06543	14.5
98.20785	2.0
98.97603	9.3
98.98473	100.0
99.04463	9.7
103.05456	2.2
105.03386	6.4
105.07041	38.3
107.04943	17.8
107.08592	25.6
109.06527	42.9
109.10175	6.9
111.08070	5.9
113.05996	3.3
115.05441	4.3
116.98615	3.7
117.07029	10.5
119.04939	20.5
119.08583	14.8
121.06519	37.7
121.10148	8.1
123.04405	3.4
123.08095	2.5
125.06004	8.4
127.07585	3.7
128.06253	2.5
129.05495	3.2
129.07011	6.9
130.07826	4.3
131.08585	13.0
133.06485	11.3
133.10155	3.9
135.04451	4.4
135.08057	10.6
135.11705	12.1
137.05981	44.8
139.07552	18.3
141.06969	2.9
143.08560	8.4
144.05737	2.2
144.09323	4.2
145.06487	7.5
145.10132	44.5
147.04411	11.0
147.08043	2.4
147.11708	4.7
149.05971	3.8
149.09601	2.2
153.06976	2.0
154.07777	4.0
155.07208	1.6
155.08568	4.7
157.08604	9.5
157.09918	1.5
158.07344	3.8
158.99667	3.3
159.08066	7.0
159.11726	29.5
161.13261	2.8
163.11200	41.4
167.08539	2.5
169.10136	13.0
169.49619	1.6
171.11649	4.1
172.08846	4.7
173.06056	2.6
173.09650	25.3
174.99254	4.1
177.12721	6.1
179.08571	7.7
181.12254	24.1
182.07321	3.8
187.11185	45.3
189.12843	1.9
191.09036	2.4
191.10706	17.8
197.09605	21.0
205.12259	16.1
215.10684	73.0
227.12888	8.6
233.09583	2.4
233.11751	37.1
233.15462	5.6
237.02803	1.9
251.06653	3.3
251.08759	2.6
251.10852	2.4
251.12822	30.7
251.16428	6.4
258.31635	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03940	2.4
54.31831	1.5
55.01865	5.5
55.05500	4.7
56.96560	3.0
57.07020	1.6
59.04963	2.2
65.03922	3.2
67.05521	11.3
69.03443	9.9
69.07061	7.3
70.04378	6.1
70.04796	2.9
71.05009	8.3
74.59423	1.7
79.05497	19.1
81.07061	21.0
83.04986	4.4
85.06531	5.6
91.05486	17.3
93.07046	27.5
95.04971	17.0
95.08620	10.1
97.06519	7.0
98.97540	3.1
98.98474	77.3
99.04469	12.3
105.06406	2.4
105.07046	39.9
107.04963	17.8
107.08593	16.2
109.06551	11.5
109.10119	3.7
111.08057	2.7
115.05432	2.6
116.99440	1.8
117.07037	13.2
119.04942	4.2
119.08608	11.2
121.02879	2.5
121.06529	18.3
121.10159	6.0
123.08051	3.2
125.05991	3.9
127.07545	2.6
128.06149	4.7
129.06999	6.0
130.07788	6.4
131.08574	17.5
133.06503	4.5
133.10130	4.2
135.08051	5.7
135.11653	8.3
137.05965	9.4
137.74974	1.6
139.07555	4.0
141.06984	2.7
143.08568	6.5
144.09328	4.5
145.06506	8.3
145.10133	72.5
147.04373	4.1
147.08038	3.5
147.11682	3.3
148.08876	3.3
149.05995	2.2
149.09578	2.6
151.07539	4.0
154.07751	3.6
155.08615	3.2
157.08630	2.9
158.07266	3.5
159.08052	5.3
159.11720	28.2
161.09572	2.8
161.13257	3.6
163.07535	2.7
163.11198	100.0
165.12822	2.1
167.88647	1.7
169.10138	8.5
171.11655	2.0
172.08830	4.6
173.09657	33.2
174.99292	4.8
177.12807	2.3
179.08591	2.7
181.12207	4.4
187.11200	61.4
189.12741	4.7
191.10689	30.9
197.09618	8.3
205.12244	28.4
215.10704	50.6
215.13989	2.1
233.09581	2.7
233.11766	45.0
233.15251	2.5
251.10759	2.5
251.12796	16.8
251.16469	5.2
251.20120	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	251.128
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03939	5.0
53.90390	1.0
55.01871	9.5
55.05515	7.9
56.96568	2.2
57.03416	1.9
57.07068	2.6
59.04999	2.3
61.02913	2.5
65.03928	2.1
67.05181	1.8
67.05506	24.6
67.84313	1.2
69.03432	12.7
69.07062	8.5
71.04998	12.1
71.54062	1.2
71.54427	1.8
77.03911	1.4
79.05495	34.0
81.03397	3.1
81.06593	2.6
81.07055	37.9
83.04993	5.7
83.08623	4.9
85.02914	6.2
85.06539	18.2
91.05480	34.9
93.07044	67.3
95.04966	29.3
95.08604	16.0
97.02904	3.2
97.06533	23.4
98.97614	4.3
98.98466	83.4
99.04457	11.2
99.08068	1.4
103.05462	3.9
105.03440	1.3
105.04539	1.7
105.07032	55.4
107.04954	20.2
107.08584	20.0
109.02879	1.2
109.06516	37.7
109.10135	3.6
111.04395	1.9
111.08070	14.3
112.49441	1.1
112.99142	1.9
113.06003	3.5
115.05465	4.7
116.06222	1.9
116.98608	1.6
117.07026	14.9
117.59345	1.1
119.04928	11.3
119.08580	16.8
121.02829	2.2
121.06508	52.7
121.10143	9.4
123.04432	2.3
123.08072	7.3
123.11668	1.6
123.44723	1.3
125.05986	4.6
127.07560	12.5
128.06183	3.4
129.06990	8.4
130.07802	6.9
131.00121	1.8
131.04889	2.8
131.08578	27.4
133.06499	9.6
133.10121	8.6
135.04422	2.7
135.08069	6.6
135.11668	3.3
137.05989	11.9
139.07541	38.6
141.06979	6.8
141.09068	1.4
142.07741	1.2
143.07013	2.1
143.08551	8.2
144.09354	7.6
145.06502	11.9
145.10124	72.0
147.08063	3.8
147.11694	7.7
149.05954	3.3
149.09584	5.7
151.07552	5.8
153.06996	2.5
154.07782	10.6
155.07216	1.2
155.08572	4.5
156.09338	1.2
157.08623	25.7
157.10007	3.0
158.07289	6.1
159.08058	8.8
159.11696	41.8
161.09622	4.2
161.13307	2.8
163.07500	3.1
163.11185	23.7
164.47145	1.2
167.08527	2.1
167.10693	1.7
169.10135	19.6
171.08064	2.3
171.11703	3.5
172.08797	5.5
173.05952	2.8
173.08342	1.2
173.09634	29.5
173.13286	2.6
174.99222	4.2
175.07391	1.7
175.11165	1.7
177.09058	2.0
177.12758	9.0
178.07770	1.7
179.08546	7.2
181.06425	2.5
182.07298	4.5
187.11185	82.3
187.14761	2.4
189.09175	1.8
189.12729	3.6
191.06973	3.1
191.10670	16.1
191.14432	1.6
193.08432	1.4
197.09613	28.2
197.13342	1.3
205.05093	1.3
205.08658	2.6
205.12233	31.9
205.15663	1.1
213.04613	1.1
215.10677	100.0
221.11429	1.3
233.08194	2.2
233.11734	37.3
233.15311	9.6
233.18953	2.3
237.07503	1.6
251.05254	2.2
251.08977	2.7
251.12732	27.4
251.16400	9.3
251.20004	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	251.0551
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
55.01867	1.1
55.05507	0.6
56.96561	0.7
59.04990	0.9
61.89411	0.3
66.83209	0.3
67.05493	1.2
68.99796	0.8
69.03410	0.4
69.07076	0.5
69.93128	0.3
71.04990	0.6
71.49734	0.4
78.43247	0.3
79.01843	0.3
79.05496	1.5
79.75124	0.3
81.07059	1.8
83.04980	0.6
85.02909	0.5
85.06519	0.4
91.04361	0.3
91.05463	1.1
93.07040	2.2
95.04985	0.9
95.08581	0.7
97.02882	0.5
97.06560	0.4
98.97610	0.9
98.98470	16.4
99.04453	1.3
103.05462	0.4
105.07031	2.0
107.04943	1.6
107.08583	1.2
109.06527	0.7
109.10159	0.4
116.98682	0.3
117.07001	0.5
119.04949	0.3
119.08589	1.0
121.02856	1.5
121.06508	1.4
121.10142	1.1
123.08111	0.3
127.03931	0.5
129.07039	0.5
131.04906	0.3
131.08568	1.0
133.10097	0.4
135.08026	0.3
137.05966	0.7
137.09628	0.5
142.34053	0.3
145.06514	0.4
145.10129	1.9
147.04413	1.0
147.11687	0.4
149.05968	1.2
149.09686	0.6
151.07561	0.6
153.01833	10.0
159.07954	0.3
159.11713	0.7
163.03885	1.8
163.07509	0.4
163.11205	1.0
164.04735	0.4
171.06720	0.7
173.09599	1.1
173.13377	0.4
174.99205	0.8
175.11137	0.4
177.05473	6.3
179.06377	0.3
180.07312	0.4
185.39792	0.3
187.11195	1.0
187.14778	0.4
191.10724	0.6
192.02733	0.2
192.04170	12.8
205.04968	36.9
205.12236	0.8
215.10667	0.8
233.04385	0.5
233.08195	0.4
233.11693	1.5
233.15340	1.0
233.19032	0.4
251.05519	100.0
251.16402	1.3
252.05888	0.4
252.09395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0551
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
54.97786	0.2
55.01873	1.0
56.96564	0.4
59.59719	0.2
67.01868	0.3
67.05503	0.3
68.99800	0.6
69.03448	0.2
71.04996	0.3
71.12548	0.2
71.12868	0.3
74.89138	0.2
79.05522	0.3
81.03405	0.3
81.07069	0.6
83.04961	0.2
85.02893	0.5
91.05482	0.4
93.07034	0.4
94.41502	0.2
95.04952	0.2
97.02895	0.7
97.06522	0.2
98.98468	10.8
99.04448	0.6
103.05482	0.2
105.03445	0.3
105.07006	0.6
107.04962	0.8
107.08569	0.4
109.06548	0.3
110.23592	0.2
111.00819	0.4
112.97709	0.2
113.08270	0.2
115.05452	0.3
116.99467	0.2
119.04932	0.3
119.08604	0.3
121.02895	1.2
121.06516	0.7
125.02370	0.4
127.03915	0.4
129.07016	0.2
131.05009	0.4
132.17564	0.2
132.95815	0.2
133.06499	0.2
134.51852	0.2
136.06223	0.5
142.88770	0.2
145.10089	0.3
147.04454	0.8
149.06000	0.9
152.05661	0.3
153.01823	10.0
159.04300	0.3
163.03912	2.1
174.96892	0.3
174.99181	0.6
177.05473	7.0
181.04907	0.3
192.02708	0.2
192.04175	11.2
205.04970	38.8
206.05391	0.4
207.10234	0.3
221.22093	0.2
233.04456	0.8
233.08192	0.2
233.11623	0.2
251.05511	100.0
252.05856	0.6
252.14612	0.2
268.36197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01871	3.8
55.05506	4.0
56.03989	1.4
56.96568	60.5
57.03444	20.2
58.99852	1.8
60.95853	3.9
61.02930	46.0
67.05486	2.4
69.03433	20.0
69.07111	1.7
70.06602	6.2
70.17590	3.3
70.17988	3.6
70.98126	9.8
71.01350	1.6
71.04992	6.7
71.95263	3.2
72.08162	5.7
73.02925	25.1
81.03430	7.7
81.04542	1.7
82.01458	10.5
83.04988	2.7
84.08150	2.7
84.33328	1.6
84.96026	6.2
85.02916	42.2
86.03245	1.6
86.09739	2.5
87.04465	3.9
88.99180	5.0
89.00796	3.9
89.06004	1.8
91.00533	1.6
91.05470	1.5
91.12217	1.5
96.01564	2.1
97.02896	27.0
98.01292	2.1
98.03164	4.6
98.97592	100.0
98.98472	77.2
98.99124	3.1
99.04461	4.7
100.02484	18.8
100.99168	6.2
101.00214	1.7
101.00826	8.8
102.60483	1.6
102.96918	1.8
103.00529	1.5
104.01330	2.0
104.10773	1.9
105.03400	3.7
107.03675	2.1
107.04965	6.3
108.01598	2.3
109.00488	3.4
109.02873	6.3
110.01276	4.3
110.97594	14.0
111.02060	1.7
112.99139	7.0
113.00858	3.6
113.02377	4.2
115.00716	5.8
115.02422	4.5
115.03969	2.0
116.98635	33.5
116.99444	2.8
117.01894	3.8
118.01054	4.8
118.03513	3.4
119.01865	11.8
119.03601	1.9
120.00794	2.5
120.02056	2.5
120.72136	1.5
121.06509	1.7
122.07148	2.2
124.95470	2.6
124.99152	2.9
126.97012	1.8
126.98811	4.9
127.01598	2.2
127.02422	2.0
127.03914	12.1
128.98601	13.5
131.00188	11.0
131.01839	7.7
131.03537	1.9
132.00728	5.6
132.04356	2.1
132.95876	2.5
133.01688	4.9
133.03493	5.7
134.99652	7.7
137.06001	2.4
138.00722	1.7
139.01529	2.3
139.03276	4.4
140.02199	3.5
140.98590	2.4
141.01279	6.7
141.03076	9.6
142.96518	2.6
143.00157	7.9
143.01903	7.1
144.98061	3.2
144.99834	8.0
145.01651	3.0
145.03471	5.8
145.04961	5.5
146.99652	11.3
147.01376	2.3
148.02074	9.4
148.03876	24.5
149.01236	13.9
149.05956	3.4
150.00459	1.7
150.01781	4.7
150.03650	4.5
154.02966	2.1
154.98277	2.5
156.98083	2.8
157.02611	36.8
157.04288	4.7
158.99681	10.9
159.01039	1.7
159.03287	5.4
161.01219	7.2
161.02945	7.5
161.04704	17.7
165.00702	2.7
166.03012	2.9
168.01620	6.3
168.98096	1.9
169.54588	2.8
170.03467	3.3
170.05144	32.4
170.99696	3.8
172.00024	2.1
172.97719	4.3
172.99348	15.6
173.01208	3.5
173.02991	2.0
174.99239	12.4
175.00719	3.0
175.03432	2.1
177.00737	5.5
177.02397	3.5
177.04263	9.6
177.05725	1.8
179.02275	2.8
182.01634	3.3
182.03265	4.9
184.01392	2.4
184.04112	2.2
185.03044	3.3
186.03180	2.9
186.96806	3.0
186.99258	3.6
187.00902	4.8
187.02637	2.3
189.00739	6.5
189.02271	2.5
190.02977	1.9
190.98604	6.5
191.00368	5.7
191.02177	15.2
191.03951	7.2
193.00241	4.0
193.04283	2.7
196.00940	41.2
198.02861	5.4
198.04549	2.1
200.04454	3.1
200.54572	2.9
201.00684	5.1
203.02248	2.9
203.04085	3.1
204.55707	2.1
205.00343	9.7
205.01909	6.7
205.03735	7.0
205.10872	4.3
206.02531	2.1
206.04350	2.0
207.01823	3.7
208.99727	4.7
209.03294	21.3
210.02608	3.1
212.02554	5.8
212.04436	7.5
214.01982	14.9
219.01802	7.2
219.05302	2.1
219.07196	10.0
220.05865	1.8
221.03189	4.3
221.05064	2.8
223.01057	2.1
226.02325	2.8
226.04239	2.3
227.02347	3.6
227.04384	6.7
228.03644	15.9
229.03888	1.9
232.99727	3.1
233.03201	2.7
233.10341	5.5
235.04678	2.4
237.02904	7.1
242.03568	4.0
242.07666	7.9
251.00461	2.8
251.04407	20.4
251.07924	11.3
251.11172	7.1
251.13870	16.0
251.16373	2.3
263.00748	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	249.2214
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
52.96425	1.2
53.03949	13.6
54.81864	1.3
55.01862	4.3
55.05513	21.9
56.96547	2.5
57.03415	2.0
57.07064	6.1
57.07310	1.2
59.04996	2.3
59.44590	1.5
65.03933	1.7
67.05506	45.5
69.03421	2.6
69.07067	29.3
69.29892	12.3
71.04984	1.7
71.08624	1.4
72.93265	1.2
77.24097	1.2
79.05492	19.3
81.03419	46.2
81.07056	44.7
83.04986	11.2
83.08609	8.8
85.06521	2.1
91.05476	14.3
93.07045	22.3
95.04974	24.6
95.08059	2.4
95.08607	23.3
97.06533	3.9
97.10161	6.7
99.08079	2.1
105.03333	1.4
105.07033	14.2
107.08598	16.6
109.06530	8.4
109.10159	14.6
110.95687	1.4
111.08051	2.8
113.09619	1.9
119.08576	10.4
121.10144	10.7
123.08079	2.2
123.11727	8.3
123.12473	1.6
125.09628	2.3
131.08632	1.9
133.10144	12.5
135.11693	5.5
137.13226	2.7
147.11678	5.6
149.13228	4.3
151.11195	28.1
153.12732	2.0
161.09552	1.7
161.13246	3.4
161.37170	1.4
165.12759	7.2
175.14844	4.8
177.16281	2.4
179.14296	5.5
185.88168	1.4
188.90620	1.5
189.16367	2.0
191.17880	1.3
193.12236	2.6
193.15775	1.5
231.17421	2.9
231.21114	9.5
249.07541	1.4
249.18509	16.4
249.22136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
56.96558	3.0
57.03428	1.5
58.99579	0.8
61.02922	1.9
64.48212	0.5
67.05494	1.0
69.03432	4.1
69.07066	0.7
69.21158	0.5
70.06590	2.6
70.07843	2.0
71.04992	1.1
73.02928	0.6
80.30598	0.6
81.03417	2.2
82.02943	0.7
84.96023	0.6
85.02907	16.9
86.09715	0.5
86.99061	0.6
87.04438	1.0
88.07632	100.0
91.03924	0.6
94.00211	0.6
97.02894	4.1
97.06506	0.6
98.20830	0.6
98.97572	2.6
98.98474	6.3
99.04469	1.1
100.03963	0.9
105.03413	1.0
107.04956	1.7
109.02884	1.8
110.97613	0.8
112.02207	1.9
116.98649	1.0
124.03966	0.9
127.03964	2.7
128.03444	1.2
136.06180	6.7
140.01685	1.8
145.04967	1.7
145.98058	0.5
156.43608	0.5
158.02786	1.0
158.99644	0.9
177.00650	0.8
182.05165	0.6
184.05096	0.6
186.02191	7.6
193.04443	1.0
204.03362	2.4
211.04390	1.8
220.04924	2.5
220.55107	0.7
229.05521	1.4
250.03868	1.3
250.10765	0.8
250.12827	4.4
250.20049	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.76008	0.4
53.03947	0.6
55.05494	0.4
59.04988	0.9
67.05487	0.6
69.03413	1.3
70.66528	1.0
70.66866	0.6
71.32371	0.5
81.03410	1.1
81.07041	0.6
85.02900	0.9
91.05497	5.0
93.07030	0.5
95.04899	0.4
96.40953	0.4
97.02888	1.2
97.06551	0.5
98.97594	0.7
103.05450	0.9
105.03398	1.7
105.07022	2.0
107.04960	1.5
108.23728	0.4
115.05457	3.7
116.06253	3.2
117.07054	2.3
118.07780	0.4
119.04947	0.5
119.08585	0.6
121.06503	0.9
123.04388	0.6
127.03912	0.7
128.06229	7.8
129.07018	17.5
130.07771	0.4
131.04909	1.3
131.08580	13.6
133.06512	2.8
133.10124	1.0
139.03926	0.5
139.05374	0.6
141.06995	6.9
142.07831	3.4
143.04861	0.5
143.08562	2.9
144.05724	6.6
145.04997	0.5
145.05310	0.5
145.06497	4.4
146.07291	2.7
147.04401	1.4
147.08049	1.0
152.06207	1.0
153.07007	1.9
155.06029	1.7
156.05698	1.2
157.06505	7.2
158.07248	2.0
159.08067	22.9
160.05209	1.3
160.08934	0.7
161.05972	4.0
161.09636	5.5
167.07028	1.1
169.06432	1.4
169.07687	2.2
170.07286	7.5
171.04414	0.9
171.08020	4.6
172.05222	2.1
173.05988	3.4
174.06805	2.3
175.07497	2.1
177.05528	0.5
178.06271	0.9
184.05182	0.8
185.06007	0.6
186.06676	1.0
187.07571	15.7
188.08174	1.1
189.05525	2.6
189.09132	8.7
190.06343	1.2
191.07004	1.0
193.04977	0.6
193.08598	0.6
198.06815	1.0
198.32956	0.6
199.07483	2.1
201.05484	1.5
203.07033	5.5
204.07843	10.3
204.09731	0.4
205.08656	1.6
206.09398	1.1
216.07802	3.7
217.08560	0.9
218.09409	1.6
219.10239	1.2
221.08232	0.7
221.11674	2.5
231.10216	5.2
232.13617	0.4
234.08850	1.2
245.24413	0.5
249.11243	100.0
250.11639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
52.94691	0.2
53.03952	2.9
55.01880	0.3
56.87608	0.2
56.96569	0.3
61.02934	0.6
64.37846	0.2
67.05500	0.3
67.57335	0.2
69.03435	28.6
71.04990	0.3
77.03912	1.0
79.05496	0.4
81.03426	1.7
81.07069	0.4
85.02903	0.8
91.05463	1.1
93.07049	0.5
95.04974	3.1
97.02895	3.5
98.97588	1.2
99.04446	1.5
103.05511	0.3
105.03399	100.0
106.03737	0.3
107.04959	0.6
107.08601	0.4
109.02895	1.8
109.10239	0.2
115.05450	0.4
116.06223	0.4
116.98662	0.2
117.07041	0.3
118.06554	0.2
119.08572	0.2
121.06541	0.2
123.04452	0.7
127.03925	16.0
128.06244	0.7
129.07019	2.0
131.08571	1.8
133.06517	0.3
133.10234	0.2
141.06995	0.8
142.07802	0.5
142.19936	0.2
143.08563	0.5
144.05708	0.9
145.06485	0.6
146.07314	0.4
147.04463	0.2
153.07111	0.2
156.05693	0.3
157.06537	0.9
158.07289	0.3
158.99702	0.6
159.08067	2.8
161.06001	0.3
161.09641	0.7
169.06383	0.2
169.07706	0.4
170.07288	0.8
171.04408	0.3
171.08035	0.7
172.05209	0.2
173.06021	0.4
175.07552	0.4
187.07570	1.5
189.09050	0.6
203.07083	0.6
204.07796	1.5
205.08484	0.3
216.07811	0.5
218.09419	0.2
219.09802	0.6
220.10344	0.7
221.11842	0.2
231.06595	0.3
231.10112	0.5
239.60910	0.2
249.07576	7.8
249.11201	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	249.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03952	2.9
55.01875	0.2
58.33796	0.2
61.02932	0.6
64.29543	0.2
69.03433	29.5
69.18100	0.2
69.25702	0.4
69.26118	1.2
70.03783	0.3
77.03912	1.2
79.05507	0.6
81.03427	1.5
82.30191	0.2
83.04996	0.3
95.04974	3.5
96.71100	0.2
97.02898	3.2
98.20575	0.3
99.04450	1.1
105.03397	100.0
106.03744	0.4
109.02879	1.3
111.04455	0.7
123.04427	0.5
127.03922	16.0
129.07085	0.2
152.14357	0.4
159.08041	0.4
231.06479	0.3
249.07535	7.7
249.11343	0.5
249.14554	0.2
249.23192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44577	0.9
53.03933	2.1
55.01875	3.2
55.05489	1.4
56.96569	7.2
57.03447	6.8
57.93653	1.1
59.05004	55.9
61.01147	2.2
61.02921	3.2
67.05502	3.1
69.03431	32.5
69.67128	6.4
71.01341	1.3
71.04976	3.5
73.02921	5.3
79.05484	3.6
81.03422	17.3
81.07035	2.6
83.04980	1.9
84.04501	1.4
84.08155	1.6
84.96062	1.4
85.02905	57.9
87.04470	45.4
88.07609	1.8
91.05475	3.0
93.07043	2.0
95.04979	1.6
97.02894	27.7
98.97593	11.6
99.04449	8.9
99.08096	1.3
101.02387	1.9
103.03933	3.2
105.03385	1.5
105.05507	10.5
105.07007	2.8
107.04954	4.1
109.02897	7.1
109.06422	1.1
110.97538	2.0
111.04454	1.5
112.07545	1.3
115.03939	2.4
115.05453	1.5
116.98601	5.6
117.06999	1.7
119.01861	1.4
119.04955	2.1
121.06450	1.5
127.03922	50.8
131.04855	1.3
133.06500	2.9
134.99704	2.7
135.04451	1.2
137.06017	2.1
143.00143	2.0
143.04860	1.6
145.03194	1.5
145.04959	26.4
148.11217	1.7
150.05565	1.7
158.03665	1.2
158.99669	2.4
161.01250	1.5
161.05957	4.5
161.09605	1.3
163.06013	1.6
166.13661	1.1
175.07602	3.0
177.00691	2.6
177.05429	1.2
189.05428	1.5
189.07631	1.2
189.09152	2.4
191.07050	1.4
203.03897	1.4
203.07057	3.9
220.04877	3.0
229.05510	1.8
231.08521	3.4
249.07339	5.5
249.19633	100.0
252.53996	1.0
258.76843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	10.2
61.02930	1.4
69.03426	1.4
70.11456	2.6
70.16602	0.8
70.99836	1.3
73.02893	1.3
73.20881	0.9
82.99830	7.2
84.96031	1.9
85.02892	1.0
86.99342	1.3
89.00925	1.1
97.02866	2.0
98.96935	1.9
98.97585	34.8
101.00883	66.6
103.02435	1.6
109.02863	1.1
110.97582	2.7
112.89587	2.5
112.99083	2.4
113.00858	7.5
114.89322	2.3
115.00708	1.5
116.98613	12.5
119.01923	100.0
124.99163	1.7
127.02377	3.4
128.98622	2.3
129.00392	1.1
131.00186	3.1
131.01892	15.6
134.99603	1.4
137.02959	10.9
141.00418	1.6
142.03482	1.1
143.00214	6.3
143.01897	36.6
145.03456	13.0
146.99631	1.2
147.01367	2.3
147.03125	1.4
149.01260	2.1
149.03018	1.4
156.03632	3.7
157.03474	5.8
158.99834	5.0
159.01384	14.7
161.01517	2.6
161.02960	66.3
162.03134	1.2
163.04552	2.2
170.99957	1.7
171.01407	8.3
173.02960	8.6
176.99377	1.0
177.00775	6.2
177.02473	22.5
177.03989	1.9
179.04012	1.7
184.04584	2.5
185.03004	3.9
186.01129	1.4
189.00781	7.9
189.02431	56.8
191.04007	10.0
201.02467	6.2
203.04018	3.8
205.00464	1.1
207.01781	11.5
207.03574	13.3
219.03639	6.3
221.05147	2.2
225.02855	3.4
226.05667	3.5
227.02383	2.3
228.02361	3.0
228.05698	9.7
228.55936	1.8
231.03552	5.7
237.02769	1.7
237.56435	1.2
249.04608	44.9
255.03610	1.2
267.02023	2.0
267.05679	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	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.0
57.20128	3.6
58.94782	4.1
69.72747	13.2
69.73160	9.0
74.65520	3.9
95.53327	4.1
98.97582	25.6
125.55195	4.0
137.01031	4.0
158.99646	6.1
177.86317	4.2
189.00725	4.4
228.59576	4.2
238.39417	4.2
249.03748	100.0
267.58420	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01862	2.6
55.05507	2.6
56.96568	53.7
57.03441	7.2
57.07078	1.2
59.05001	1.9
60.95850	2.4
61.02933	12.6
67.05488	2.4
68.99817	1.1
69.03436	13.6
69.07065	2.0
69.51492	5.3
70.06586	1.2
70.98125	14.5
71.01321	0.9
71.05001	4.5
71.95255	2.9
72.08154	1.2
73.02920	11.7
73.06519	1.0
74.97611	2.7
75.01044	1.1
79.05489	1.5
81.03421	6.4
81.07051	1.7
82.99870	0.8
83.04971	1.2
84.04510	1.2
84.08163	2.2
84.96042	5.3
85.02374	1.0
85.02905	20.9
85.06511	0.9
86.09730	1.9
86.97579	1.6
87.04465	2.5
87.08139	0.8
88.99173	10.5
89.00821	0.9
90.01521	1.2
90.05570	0.9
91.04009	0.9
91.05459	1.9
91.58098	0.8
95.01297	1.1
95.04948	0.8
96.01541	1.5
97.02303	1.3
97.02897	17.6
97.99172	0.9
98.01309	1.4
98.06055	1.9
98.97591	100.0
99.04448	4.7
99.08053	0.8
99.97932	1.6
100.99136	3.1
101.00853	5.7
101.02350	1.1
102.96923	2.5
103.00668	1.4
103.02441	1.0
103.03179	0.8
103.03943	0.9
105.02105	1.0
105.03397	1.4
105.06998	1.1
106.01025	1.3
107.00179	2.0
107.04955	3.3
109.02219	1.0
109.02885	3.4
110.01263	3.5
110.97576	10.1
112.00977	0.9
112.99141	6.8
113.00864	1.6
113.02446	0.9
115.00671	2.7
115.02462	1.0
116.07074	0.9
116.98627	44.9
117.01925	3.6
117.03978	0.8
117.98901	0.9
118.01051	2.5
119.00176	1.9
119.01893	16.2
119.04934	1.3
120.97929	1.5
121.01649	3.0
123.04421	0.9
123.14796	0.8
124.95581	0.8
124.99126	3.1
125.02641	2.3
125.52802	0.8
126.97064	1.1
127.00707	1.1
127.01522	1.2
127.02455	1.0
127.03959	6.9
128.02336	4.6
128.98627	18.9
130.08656	0.8
131.00159	11.2
131.01883	3.4
132.98088	1.1
133.01683	2.8
133.03456	2.7
134.99683	14.6
135.03110	1.0
137.02850	1.4
137.05956	1.0
138.02594	1.0
139.01532	1.2
139.02495	1.0
140.00276	0.8
140.02296	1.9
140.05011	3.0
140.98637	1.8
141.02180	1.2
141.96922	0.8
142.01089	1.0
143.00166	8.3
143.01855	4.6
144.98055	2.0
145.01657	2.3
145.03435	3.4
145.04959	3.1
146.02303	2.1
146.05069	1.0
146.95787	1.1
146.99663	23.9
147.01363	1.1
147.03133	3.6
147.04288	1.5
147.05104	0.9
148.03891	2.6
149.00146	1.1
149.01247	13.1
149.02763	1.7
150.01732	1.6
150.99098	2.3
151.02679	0.9
152.01399	1.2
153.00694	0.9
153.02077	0.9
154.03857	1.3
155.00134	1.8
155.02837	5.4
155.04677	4.4
156.98077	4.2
156.99945	0.8
157.03520	2.0
158.99675	23.0
159.01108	1.6
159.03175	2.2
159.04697	1.6
159.05804	3.2
160.02051	1.7
161.01221	9.2
161.02895	7.5
162.99098	1.7
163.02678	2.1
164.03389	2.2
164.05228	0.9
165.00734	16.4
166.55409	1.0
167.02327	2.9
168.01820	2.7
168.03635	8.8
168.05450	8.3
168.98074	1.2
169.04437	1.4
170.01276	0.9
170.05115	1.8
170.99654	4.2
171.01198	1.4
171.05135	2.1
172.97636	1.8
173.01083	4.3
173.03070	1.9
173.04907	0.9
174.01828	1.1
174.99168	11.4
175.00748	1.8
175.02791	1.2
175.04520	1.6
177.00722	20.2
177.02383	6.7
177.04195	6.7
177.05959	3.9
179.02231	1.2
180.02646	1.6
181.00880	0.9
182.03439	3.0
182.99626	0.8
183.01801	1.5
184.03078	1.0
184.04889	1.2
184.97563	1.0
185.01288	1.4
185.02965	2.2
185.05309	0.9
187.00761	0.8
187.02812	0.9
188.97025	1.5
189.00713	21.9
189.03365	6.3
189.04742	1.2
189.09135	1.6
190.98586	1.4
191.02261	3.4
191.03922	9.6
192.96387	1.2
193.00203	9.6
195.01915	1.0
198.03011	1.2
199.04477	1.2
200.04425	1.2
201.00720	3.2
201.02505	1.3
202.54738	1.0
202.98653	2.9
203.02274	2.6
203.04094	2.4
204.02878	1.6
205.00220	2.1
205.03593	1.1
206.99809	1.5
207.01793	28.3
207.05330	2.9
208.04889	3.2
210.02844	1.6
213.03439	1.4
213.06075	1.0
217.00203	2.2
217.02025	1.3
217.05513	1.5
219.01762	6.0
219.03435	1.8
219.05319	1.7
221.03300	1.4
221.05157	1.2
223.01184	1.8
225.02866	5.8
226.01726	0.9
226.03670	1.0
226.05623	2.3
228.01956	1.0
228.03728	1.3
228.05791	4.2
230.03448	1.6
230.98207	1.8
231.01738	2.9
232.55858	0.9
233.05156	1.6
237.02834	5.8
237.06160	1.6
240.05779	3.6
245.04927	1.4
248.99091	4.3
249.02623	13.7
249.06393	7.7
249.08521	5.7
267.00330	3.8
267.03851	3.9
267.06924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01867	1.9
55.05513	17.9
56.96574	1.4
57.03437	0.7
57.07071	2.1
59.04998	0.6
67.05507	13.4
69.03423	2.1
69.07069	4.9
69.81241	1.6
69.81650	2.1
71.04974	1.2
75.12416	0.6
76.85122	0.8
79.05494	36.1
81.03436	1.1
81.06599	0.6
81.07066	12.0
83.04987	2.9
83.08624	5.2
85.06537	1.3
91.05482	10.7
93.07050	21.5
95.04984	3.2
95.08614	9.2
97.06558	0.7
97.10172	5.9
98.21416	1.1
103.64656	0.6
104.99294	3.1
105.07026	8.5
107.04961	32.3
107.08596	15.8
109.06506	1.8
109.10167	9.3
109.85419	0.7
111.08116	0.8
116.06181	0.7
117.07005	3.2
119.08568	6.2
121.06533	0.8
121.10135	12.2
123.08061	1.5
123.11719	1.6
125.09634	2.7
131.08580	6.9
133.10118	5.8
135.08139	1.0
135.11682	6.2
145.10129	3.6
147.11713	4.4
149.09624	83.5
149.13182	3.5
151.11134	0.8
159.08009	0.7
159.11717	3.7
161.13252	1.7
163.11209	2.2
163.14804	1.2
173.13271	2.1
175.14827	1.0
177.12749	2.5
182.99583	0.7
187.14876	1.9
189.16333	1.8
191.14427	0.6
201.00711	0.8
201.09735	0.8
205.15924	1.2
229.19591	5.4
247.05836	0.9
247.16748	2.7
247.20583	100.0
248.20833	1.0
265.11053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03952	2.0
55.01882	2.9
55.05515	23.1
55.75729	0.6
56.96566	1.7
57.03434	1.6
57.07070	2.5
59.05032	0.8
61.81845	0.6
65.03970	0.8
67.05510	11.7
67.80882	0.6
69.03423	2.0
69.07068	6.6
69.81239	1.3
69.81654	2.1
71.04991	2.1
72.18774	0.6
77.03966	0.6
79.05497	35.8
81.03426	1.1
81.07059	13.6
83.04996	2.3
83.08613	4.7
85.06538	0.8
91.05485	11.0
92.46101	0.6
93.07047	23.1
95.04988	3.2
95.08619	8.9
97.02925	0.8
97.06538	1.5
97.10190	4.8
99.08158	0.7
104.99286	2.5
105.04558	0.7
105.07026	8.4
107.04959	36.2
107.08605	15.1
109.06503	1.3
109.10167	7.4
111.08107	0.8
117.07019	3.3
119.08589	6.8
121.06510	1.8
121.10152	14.8
123.08075	1.3
123.11709	2.4
125.09637	2.5
127.11189	0.7
129.92781	0.6
131.08575	7.9
133.10135	4.1
133.18857	0.6
135.08041	1.6
135.11696	5.5
137.09676	0.6
145.10118	3.9
147.11703	3.3
149.09628	90.0
149.13174	3.1
151.11263	0.7
159.11748	4.4
161.13287	1.4
163.11230	3.0
163.14825	0.9
165.12724	0.8
166.82462	0.7
168.74721	0.6
173.13263	1.3
175.14859	1.3
177.12788	3.1
187.14833	1.7
201.00650	0.9
205.15930	1.0
229.15891	0.7
229.19562	5.2
229.21709	0.9
247.05855	1.0
247.20590	100.0
248.21002	1.2
257.76437	0.6
265.11105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03932	3.3
55.01856	4.4
55.05512	9.5
56.96551	2.8
57.03431	2.1
57.06824	1.7
57.07074	18.4
60.61480	1.2
65.03933	2.8
67.05503	20.0
68.99775	1.4
69.03076	2.1
69.03426	24.8
69.07049	3.2
71.04970	3.4
71.22817	2.3
72.08150	1.3
73.02895	2.1
79.05496	12.6
81.03401	3.5
81.07038	7.7
83.04488	1.9
83.04980	28.8
85.02914	6.1
85.06532	7.0
86.09666	1.4
87.04427	1.8
91.05477	19.2
93.07035	20.0
95.04377	2.2
95.04964	37.1
95.08608	10.3
97.02885	6.1
97.06514	8.9
98.97546	2.4
99.04458	1.6
103.05444	2.2
105.07031	48.4
107.04935	3.4
107.08601	16.6
109.02874	4.5
109.06519	20.1
109.10123	3.8
110.97583	3.4
111.04433	8.8
112.71348	1.3
113.05987	3.2
115.05443	4.0
116.06230	2.5
117.07008	10.3
119.04962	1.4
119.08576	33.4
120.08046	1.7
121.02865	32.5
121.06492	18.4
121.10133	7.5
123.04416	4.4
123.08067	27.8
125.05949	2.7
125.07912	2.0
125.09575	1.7
125.85654	1.2
127.03908	3.5
128.06219	4.8
128.98630	2.4
129.07005	9.1
130.07773	4.0
131.04930	2.7
131.08562	21.1
133.06520	9.8
133.07393	2.2
133.10132	14.8
135.04367	1.7
135.08055	13.7
137.05956	2.6
137.09593	5.2
139.07623	2.0
141.06967	5.9
142.07756	11.8
143.08530	15.8
144.09323	5.2
145.06456	8.3
145.10126	22.6
146.07274	4.4
147.08057	17.4
147.11688	6.0
148.08841	2.6
148.12048	1.3
149.05965	4.7
149.09621	6.6
151.07535	4.5
153.01830	52.4
153.07007	2.6
154.07730	1.8
155.08556	6.3
156.09315	11.0
157.06462	1.7
157.10104	18.2
158.07265	7.4
158.10855	2.0
159.08032	20.0
159.11678	15.7
160.08823	3.9
161.05928	5.7
161.09601	17.0
163.03893	2.3
163.07532	4.7
165.09125	18.2
166.07745	2.2
167.08583	1.6
168.09319	3.8
169.10078	1.5
170.10971	1.9
171.08026	4.6
171.11694	12.3
172.08830	11.7
173.05992	2.6
173.09601	12.6
173.13255	17.7
175.06198	1.8
175.07521	4.2
175.11169	13.1
177.09012	1.5
181.06464	2.0
181.10028	3.2
183.11688	10.3
185.09572	5.7
185.13237	2.1
186.10413	3.4
187.07518	2.2
187.11169	19.3
189.09071	20.9
189.12842	2.0
191.14227	1.7
193.10115	5.1
196.08868	6.8
199.11166	29.3
201.09364	1.8
201.12706	25.6
203.10652	12.8
205.08641	1.3
205.12190	3.7
211.11217	14.0
215.05745	2.3
217.12216	23.0
219.13782	7.3
221.08083	1.4
224.06158	2.4
229.04871	2.0
229.12230	27.3
247.06044	31.8
247.13281	100.0
248.13527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
54.06679	0.3
55.01879	0.9
55.05517	0.7
56.96580	0.9
57.03444	2.6
57.07080	100.0
61.02943	0.7
67.01867	0.4
69.03437	16.0
69.07088	0.6
70.50922	0.6
70.51257	0.6
71.01377	0.6
71.05009	1.2
72.08142	0.4
73.02924	0.7
74.91467	0.4
78.84180	0.3
78.97483	0.4
79.05505	0.9
81.03425	9.9
81.07087	1.1
83.04984	0.9
85.02911	20.9
85.06551	16.5
86.09736	0.3
86.48631	0.4
91.05505	1.9
93.07063	1.5
94.71514	0.4
95.05004	0.6
95.08643	0.6
95.10582	0.3
97.02897	7.0
97.06512	0.4
98.97611	1.7
99.04457	2.0
101.00887	0.6
102.51504	0.4
103.07588	9.9
103.08223	0.6
105.07059	1.8
107.04959	0.5
107.08614	1.2
108.13485	0.4
109.02888	7.2
109.10165	0.6
115.05452	0.5
116.98655	0.4
117.07032	1.0
119.01951	0.5
119.05000	1.1
119.08608	1.6
120.08146	0.6
121.02058	0.6
121.02863	4.1
121.06515	0.4
121.10193	0.7
127.03932	10.9
128.06284	0.5
129.07048	1.0
131.01947	0.5
131.08551	1.8
133.10167	1.0
135.08070	0.5
139.80045	0.4
141.07092	0.8
143.01904	0.5
143.08644	0.6
144.02129	0.5
145.05031	1.4
145.10139	1.8
147.04410	2.8
148.04788	0.9
149.09657	0.6
153.02188	0.4
155.08629	0.5
158.99713	0.6
159.08092	1.0
159.11720	0.8
161.03036	0.8
163.02777	0.6
163.11290	0.7
169.10193	0.6
171.11717	1.3
173.09729	0.9
185.13182	0.4
187.07605	0.6
187.14923	1.5
187.38531	0.4
189.12762	0.7
190.13083	0.5
196.58513	0.4
201.05644	0.5
201.09061	0.4
201.12743	0.7
201.16617	0.4
205.59143	1.5
206.08995	0.7
211.15033	0.9
214.59662	1.1
217.08820	0.5
219.08243	0.6
229.05090	0.7
229.10667	3.9
229.15948	1.0
246.61597	0.6
247.05853	4.3
247.09834	0.5
247.11761	3.1
247.14644	0.6
247.16898	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01855	1.5
55.05513	0.9
55.76237	0.6
56.96553	2.0
57.03436	3.2
57.07076	100.0
61.02906	1.9
66.91577	0.6
66.95087	0.5
67.05480	1.2
69.03430	16.2
69.07059	0.7
71.04982	2.5
71.54371	0.8
73.02914	0.8
79.05485	1.4
81.03422	10.6
81.07039	1.9
81.83253	0.5
83.04992	0.8
85.02906	19.0
85.06547	20.8
86.09727	1.2
89.00584	0.7
91.05482	2.1
93.07023	1.5
95.04955	1.1
95.08603	1.1
97.02897	6.7
97.06549	0.6
98.97604	2.9
99.04451	2.7
103.07584	9.6
105.03379	1.3
105.07023	1.9
107.04939	1.1
107.08551	0.7
109.02882	7.0
109.10151	0.7
110.97592	0.9
116.98641	0.5
119.08573	0.9
121.02860	4.3
121.06441	0.6
121.10108	0.6
125.09645	0.8
127.03925	12.1
128.06158	0.7
128.98592	0.7
131.04875	1.1
131.08586	0.8
133.06482	1.5
133.10120	0.9
134.88303	0.6
139.44232	0.5
145.04939	2.2
145.06503	0.9
145.10092	0.7
147.04395	0.6
161.05992	2.0
163.03922	0.6
173.06033	1.0
201.00687	0.8
201.05392	1.1
201.09152	0.6
219.01765	1.0
226.07755	0.8
229.04970	2.2
229.10660	4.0
237.02873	1.1
247.06181	6.7
247.09572	1.2
247.11699	3.0
247.14345	1.8
247.16809	0.7
251.05508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96302	0.7
56.96566	10.3
57.03422	1.1
57.16154	0.6
68.98303	1.2
69.03413	2.1
70.78951	1.1
70.99849	1.1
71.04992	0.6
73.02905	1.8
74.93143	1.8
77.00900	0.8
81.03402	2.7
82.99831	3.2
84.08117	0.8
84.96057	1.2
85.02887	0.9
86.99323	1.2
87.70480	0.7
89.00908	1.0
94.99776	0.8
97.02871	3.8
97.96809	1.0
98.96938	1.1
98.97586	21.3
99.04446	1.8
100.02474	1.4
101.00887	30.8
102.00947	3.3
102.96865	4.7
103.00651	3.9
103.01214	0.6
103.02419	1.0
105.00372	1.4
109.02892	1.1
110.97578	2.1
112.99139	0.8
113.00895	4.0
115.02423	2.7
116.98641	10.5
119.01928	48.7
120.02025	7.1
120.97920	2.7
121.01656	5.5
124.00773	0.8
124.99088	1.4
125.00975	1.2
127.02392	2.9
127.03913	2.6
128.98604	1.1
129.00357	1.3
129.03998	0.8
131.01917	11.8
133.01691	0.7
133.03452	4.1
134.99666	2.5
137.00928	1.2
137.02960	7.8
138.98943	0.8
139.00725	0.8
139.02419	2.4
139.50778	0.7
140.00206	0.9
142.01788	3.5
142.03490	1.1
142.98668	0.8
143.00148	2.9
143.01904	27.4
144.07523	0.6
145.00801	0.9
145.03479	11.6
146.03575	1.0
146.99646	0.9
147.01419	1.9
149.02928	2.0
151.04439	1.2
154.49973	0.7
154.93291	0.7
155.01859	7.5
155.02913	0.9
156.00014	0.8
157.02034	0.9
157.03487	17.6
158.03578	1.8
158.99658	1.6
159.01546	0.9
160.02844	1.8
160.99716	2.6
161.02966	64.3
162.00723	0.9
162.03062	2.7
162.99055	0.7
163.04533	1.7
165.00627	1.0
167.01875	3.1
169.03481	2.7
171.05089	1.4
173.02963	13.9
174.01097	1.3
174.97647	2.2
175.00986	0.7
175.04543	12.8
177.00861	3.0
177.02582	1.0
179.00708	16.8
179.04037	2.2
180.00894	1.1
180.04077	1.0
181.03455	0.8
183.01558	1.5
184.04543	0.7
184.99707	0.8
185.01355	1.2
185.02953	24.8
186.03072	1.1
187.04529	6.7
189.01614	3.6
189.06017	0.8
190.01485	0.9
191.02475	1.0
191.03999	4.5
195.01660	1.7
196.04576	0.7
197.01379	1.1
197.02971	5.5
198.02191	0.9
198.97325	1.4
199.00931	0.9
199.04520	4.5
200.00980	0.8
200.02827	1.0
200.97513	0.7
203.00777	2.8
203.04025	24.1
204.02068	4.0
204.04086	1.6
205.00391	0.8
210.50179	0.8
212.01028	0.8
212.54637	0.9
213.02663	6.3
215.02155	0.8
215.04031	8.0
216.98550	0.7
217.05569	3.8
218.96864	0.9
219.02002	1.6
219.03836	1.7
220.02252	0.9
220.95602	0.7
221.01797	22.3
221.04916	5.1
221.97656	2.0
222.02298	2.3
222.05002	5.4
225.01915	1.1
227.00777	2.1
227.04010	7.2
230.50195	1.0
230.98340	1.7
231.00346	1.6
233.01665	0.8
233.05083	5.8
234.02324	2.7
237.02907	0.7
238.98343	0.8
239.06006	1.4
239.50880	1.8
239.98581	12.4
240.00850	1.3
240.06241	6.5
242.01277	1.6
242.51073	2.0
244.89687	1.9
245.01909	10.0
245.05080	58.5
245.12209	3.0
251.01694	0.9
254.01971	0.7
263.02899	100.0
263.06024	6.5
264.03128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.5
61.72947	0.3
63.80196	0.3
69.03416	0.5
69.41888	1.4
69.42308	1.1
77.00943	0.3
81.03392	0.6
82.99802	1.7
84.99624	0.4
85.35121	0.3
86.99307	0.6
97.01398	0.3
97.02895	1.9
98.97577	1.7
100.97189	0.3
101.00880	16.7
102.00948	0.6
102.96877	3.9
103.00636	3.0
109.59667	0.3
113.00862	2.1
115.02438	1.1
116.98579	0.6
119.01923	22.1
120.02024	2.5
120.97910	1.8
121.01658	4.2
122.62640	0.3
127.02408	1.1
127.03906	0.9
129.03975	0.7
131.01892	4.3
131.05505	0.4
133.03458	1.6
137.00784	0.5
137.02957	2.9
138.03078	0.4
138.82101	0.3
138.98911	0.4
139.02505	1.0
142.03522	0.5
142.98593	1.2
143.01900	12.8
145.03459	3.8
147.01355	0.9
147.05026	0.3
149.02969	0.6
149.06604	0.3
155.01897	2.4
157.03462	7.2
159.05013	0.5
160.99681	3.3
161.02954	28.1
162.03123	0.7
163.04553	0.5
167.01924	1.3
169.03442	0.9
171.04985	0.7
173.02956	5.7
175.04517	6.4
177.00948	0.8
177.02660	0.4
177.09787	0.5
178.01045	0.8
179.00706	18.2
179.04002	1.0
180.04120	1.0
184.04584	0.7
184.99695	1.1
185.02951	11.3
187.04515	3.6
189.06140	0.4
191.04050	2.8
197.01428	0.4
197.02968	2.8
199.04527	2.0
203.00798	3.0
203.02298	0.5
203.03990	9.9
203.11371	0.5
215.03983	3.2
217.05640	1.7
219.02022	0.8
219.03922	2.6
220.02063	0.8
221.01761	22.4
221.05177	1.3
222.02263	1.1
227.00604	2.3
227.04028	3.6
233.05109	2.1
236.00429	0.4
245.01854	9.9
245.05067	26.4
245.12265	2.4
261.03064	0.8
263.02875	100.0
264.03094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00164	0.2
50.02500	0.2
51.02384	0.3
53.03954	1.8
55.05510	0.5
56.96557	0.3
69.96705	0.7
69.97102	0.4
76.81749	0.2
77.03927	0.8
79.05499	7.1
81.03416	0.3
83.04989	0.5
83.08624	0.2
85.02912	0.4
90.94836	0.5
91.05437	0.3
95.04968	1.4
95.08626	0.4
98.97574	0.6
100.11245	1.2
105.03391	0.3
105.04506	0.5
107.04958	100.0
149.96204	0.4
172.69641	0.2
172.97784	0.3
232.58575	0.2
245.04778	0.3
245.18680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25141	0.2
52.08461	0.2
53.03951	1.5
55.01875	0.3
55.05502	0.3
56.96567	0.4
57.03414	0.3
70.40556	0.2
71.04993	0.3
71.25747	0.4
72.93769	0.3
73.02924	0.3
77.03919	0.5
79.05495	6.5
81.03407	0.3
83.04976	0.6
85.02904	0.3
87.04423	0.3
90.75955	0.2
90.94827	0.3
95.04970	1.5
95.08607	0.4
97.02902	0.6
98.97579	0.7
102.56739	0.2
105.03432	0.2
105.04524	0.6
107.04956	100.0
108.05322	0.6
109.02865	0.2
109.06493	0.2
110.97601	0.2
116.98615	0.3
125.06053	0.2
133.97168	0.2
158.99767	0.2
167.97229	0.2
172.97801	0.3
244.56125	0.5
245.04607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	62.9
61.02921	17.7
62.05306	5.9
65.43056	6.1
68.39819	5.4
69.03435	16.0
69.53932	36.9
70.06579	20.4
71.95270	13.7
72.08167	8.9
73.02913	6.2
81.03413	12.1
82.99857	17.4
84.03682	5.4
84.04526	7.3
85.02899	17.9
89.00848	6.0
89.75929	4.9
91.03960	5.4
97.02905	16.3
98.97588	84.1
101.00881	95.0
101.84172	4.8
107.04955	12.5
110.97592	9.5
112.05093	14.7
113.00869	18.7
113.03492	13.2
113.04735	7.2
113.05422	16.1
115.02403	8.7
115.08607	6.7
116.07110	6.7
116.98632	26.4
119.01926	93.4
124.95526	11.4
131.01917	25.8
133.03452	9.1
137.00816	6.8
142.96533	17.7
143.01906	34.1
144.03883	6.1
145.03464	36.0
153.03766	7.2
155.01895	45.2
157.03490	32.7
159.05057	9.3
161.02945	52.2
163.04480	7.7
165.66235	5.7
167.01904	35.7
170.95987	28.0
171.05046	12.4
173.03038	39.3
175.04579	15.6
178.04977	6.0
179.01862	11.3
184.97592	7.8
185.02965	100.0
187.04539	12.6
188.97104	40.8
197.02888	26.5
202.98671	18.5
203.04102	34.5
205.03673	6.7
206.05643	7.1
206.98175	13.1
213.05830	11.9
215.04002	13.8
220.99670	10.4
221.05115	15.3
227.03990	11.8
230.98082	8.9
245.00867	6.9
245.05026	95.8
245.08519	15.9
245.15034	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	243.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.4
55.05517	23.0
56.96569	14.9
57.03428	7.8
57.07067	4.9
67.05517	22.4
69.03426	9.6
69.07056	9.1
69.42134	2.4
70.23328	7.8
71.04990	6.2
71.08646	3.1
74.89536	2.7
79.05505	21.8
80.58401	2.4
81.03426	79.9
81.07060	32.2
83.04984	19.7
83.08627	33.7
84.42342	2.9
85.02901	10.8
85.06544	4.3
91.05484	28.2
93.07045	17.3
95.04979	26.2
95.08608	18.5
97.02889	5.1
97.06532	6.0
97.10154	8.7
98.97584	26.4
99.04500	2.6
100.11257	5.2
100.79195	2.6
105.07050	22.2
107.04951	7.0
107.08604	12.1
109.06501	6.4
109.10152	7.9
111.04425	3.0
111.08089	15.6
111.11700	3.0
113.05982	2.8
116.98626	8.0
119.08599	20.7
120.97927	2.5
121.10133	10.1
123.11739	5.4
129.07013	8.1
131.00150	6.3
131.08575	15.7
133.06577	3.0
133.10168	11.9
134.99710	3.0
137.09625	2.9
142.15901	10.1
143.05495	2.3
143.08583	3.0
143.16238	9.1
145.10136	6.7
147.08076	3.6
147.11714	15.5
149.01225	4.0
149.09618	3.3
150.97404	3.0
155.07014	4.7
156.03676	3.3
157.10164	18.7
158.99652	11.6
159.11722	3.2
165.12744	5.7
175.11205	17.4
177.00745	8.8
183.11621	3.1
183.17299	2.5
185.20842	3.1
186.22133	3.4
187.22537	4.4
193.12267	97.6
201.09479	2.7
201.16386	3.1
210.10376	2.5
211.13313	100.0
215.07066	2.6
219.01654	3.3
225.12743	6.7
225.14832	13.2
242.28387	5.9
243.06548	6.2
243.08870	11.1
243.13847	5.5
243.17470	9.1
243.21077	9.1
243.28798	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.5
68.33288	0.2
69.98969	1.1
75.17108	0.3
80.07292	0.3
82.99851	0.9
98.97585	1.8
99.97911	0.5
100.97202	0.3
100.98010	0.3
101.00882	8.0
101.97183	0.4
102.00952	2.4
102.96880	0.3
113.00784	0.2
116.98641	0.7
117.98938	0.5
119.01922	16.3
120.02007	4.1
131.01877	0.4
132.60789	0.3
135.99994	0.5
137.02953	2.3
138.03078	0.6
141.98947	0.7
142.03503	1.9
143.01918	0.8
146.88301	0.3
152.09052	0.2
155.01892	0.3
157.03477	0.3
158.99873	0.5
159.99974	3.5
160.04570	0.5
160.99612	0.4
161.02948	4.9
163.01494	0.3
173.02969	0.4
177.00945	2.4
178.01047	15.9
179.00682	1.6
179.04010	5.2
184.00034	0.7
184.04507	0.7
185.02933	0.6
196.10136	0.3
200.03249	0.3
201.00967	0.3
202.01048	3.3
202.05598	0.5
203.00856	0.3
203.03984	0.7
218.04190	3.2
219.02026	1.8
219.03851	0.4
220.02126	22.5
220.94122	0.4
221.01767	4.5
221.05080	0.6
225.89545	0.2
226.00977	1.9
226.05661	0.3
235.00865	0.4
238.98320	0.6
244.02095	12.4
245.01929	0.5
245.05055	0.9
261.02631	0.3
262.03192	100.0
263.02890	4.8
264.03482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03945	4.2
55.01870	3.3
55.05503	3.8
56.96562	7.5
57.03429	3.1
61.02928	13.2
61.58570	0.9
65.03950	8.6
66.20999	0.9
67.05508	6.3
69.03426	10.8
69.07079	5.7
69.82998	3.7
71.04988	3.0
73.02908	2.7
79.05496	13.1
81.03410	7.4
81.07057	45.7
82.04198	2.5
83.04985	3.2
84.04518	1.3
84.96024	1.1
85.02904	12.1
86.09722	1.9
91.03967	1.1
91.05482	22.5
93.03396	2.2
93.07055	3.2
94.04202	1.3
95.01329	1.2
95.04972	18.7
95.08614	2.7
97.02892	38.0
97.06525	6.1
97.07337	0.9
98.21529	1.3
98.97578	13.1
99.04462	6.1
99.08095	15.9
101.02380	1.1
103.05461	2.3
105.03388	3.5
105.04549	1.5
105.07048	3.4
107.04951	15.4
107.08611	2.2
108.05296	1.8
109.02900	3.9
109.06524	17.7
110.03662	3.7
110.97565	2.5
111.04454	3.7
113.07119	1.2
114.95332	1.3
116.98640	5.4
117.07034	1.2
119.04967	6.7
119.08567	4.4
121.02867	3.9
121.06490	2.8
121.10148	1.5
123.04430	17.3
123.08043	2.8
123.11739	1.5
125.02321	5.2
125.05997	3.4
127.03922	7.3
128.98586	1.3
131.08501	1.3
132.96388	1.3
133.02864	13.2
133.10138	1.8
134.99741	1.3
135.04434	5.9
135.08047	1.7
137.04897	1.2
137.05971	25.6
137.09613	1.3
139.03891	2.5
140.04686	96.9
142.02649	1.7
143.08545	1.5
145.04956	2.0
145.06433	1.3
147.04373	6.4
147.08047	2.6
149.02338	1.6
149.06026	2.2
149.09604	1.5
150.97389	1.4
151.03850	1.3
151.07527	1.3
152.04665	3.2
153.05501	2.6
155.07033	100.0
158.99698	2.9
161.01218	2.2
161.09634	2.1
163.03906	3.3
164.04707	1.2
165.01854	1.4
165.05487	20.2
165.06889	1.6
165.09135	3.4
167.07025	2.6
169.05020	1.2
171.06517	3.3
173.06038	1.1
173.08105	5.9
177.00691	3.1
179.07021	12.9
180.04182	17.3
181.04961	75.5
182.05603	1.2
183.06525	4.7
183.07951	1.9
189.00771	1.5
189.09047	2.3
193.04968	27.2
195.06548	14.3
197.02960	6.6
197.06129	1.8
197.08087	12.5
201.00716	1.6
207.06532	27.7
207.10159	3.3
207.13745	1.4
211.07449	1.2
215.04010	1.6
215.07111	1.9
219.01820	4.3
220.04535	5.1
222.04723	4.3
222.06572	1.3
223.09006	1.1
225.07565	26.4
225.11150	2.0
231.05223	12.2
231.55243	1.5
237.02895	2.5
238.03256	1.1
243.06473	2.9
243.08542	19.1
243.12268	4.2
243.17198	1.4
254.01099	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03932	5.0
55.01859	2.3
56.96566	17.6
57.03431	3.4
58.48963	1.7
61.02933	13.4
65.03944	8.8
67.05502	6.3
68.75512	1.5
69.03423	6.7
69.07058	4.6
70.06568	3.3
70.46226	5.5
70.98119	1.4
71.04996	2.3
73.02921	4.4
79.05505	5.5
80.28271	1.8
81.03423	4.8
81.07048	6.1
83.04967	3.8
84.04512	13.7
84.96044	4.2
85.02913	10.3
85.95506	1.8
86.09710	16.7
87.04399	1.7
91.05486	18.4
93.03411	2.9
93.07031	1.9
95.04981	17.1
97.02924	10.4
97.06524	3.2
98.97586	21.6
99.04430	1.9
105.03407	4.4
105.04559	2.0
105.07020	2.4
107.04954	12.7
109.02843	3.5
109.06512	15.7
110.01297	1.7
110.97601	7.8
111.04445	3.1
114.95305	4.8
116.98630	7.4
117.07024	2.1
119.04922	8.0
119.08614	2.5
121.02895	2.4
121.06538	1.8
123.04431	25.6
123.08054	1.7
124.04771	3.0
124.99121	1.7
125.02339	5.5
127.03939	4.2
128.02342	2.0
128.98622	6.9
129.06633	1.9
131.05174	1.4
132.04390	2.1
132.10202	8.5
132.96318	3.2
133.02878	11.2
134.47643	1.6
135.04433	6.1
137.01761	1.9
137.02890	2.5
137.05978	17.7
138.03081	2.8
139.03969	1.9
139.07613	2.0
140.04694	93.6
142.02614	2.6
143.00154	4.5
147.03395	1.5
147.04369	9.2
147.08057	1.9
152.04704	1.8
153.05424	3.4
155.00150	2.4
155.07037	100.0
158.99666	5.5
159.98495	1.7
161.01193	3.9
162.05452	8.7
163.03917	5.1
165.05481	19.3
165.09160	4.8
166.05812	2.3
167.07047	2.5
170.99625	2.5
171.06544	3.1
173.08076	5.5
175.03970	1.6
177.00722	4.1
178.96881	2.0
179.07108	9.3
180.04167	17.6
181.04961	79.3
183.06494	10.7
184.03595	2.0
192.03679	3.5
192.05397	1.8
193.04973	27.3
195.06546	13.3
195.53813	1.6
196.97899	3.0
197.03044	5.6
197.06201	2.4
197.08070	8.7
197.12860	9.0
201.00743	3.8
201.02655	1.6
201.04152	9.0
207.06535	26.6
207.10188	4.3
214.98999	1.6
215.03941	2.6
215.07054	2.1
219.01736	7.5
220.04634	3.6
222.04646	5.5
225.07552	22.2
231.05206	3.3
237.02872	3.3
243.04593	15.9
243.08401	18.3
243.09953	3.1
243.10728	2.7
243.13557	4.0
254.01003	3.2
260.02032	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.9
56.96547	2.1
57.03441	16.8
58.06579	2.3
61.02909	5.4
66.01726	1.2
70.26630	4.6
71.01357	8.5
71.04989	2.4
73.02908	7.4
83.01325	1.7
85.02897	5.4
87.00822	1.3
87.04479	11.1
89.02390	7.8
98.73454	1.3
101.02384	22.9
103.03947	4.0
113.02391	2.6
115.03929	41.2
119.01904	1.4
127.03867	2.2
129.01840	25.7
133.04951	5.0
141.01807	2.2
143.03409	24.4
143.77672	1.2
143.88463	1.2
145.04857	1.5
157.01344	37.1
161.04457	17.8
167.03964	1.3
171.02942	7.1
189.03954	100.0
196.00854	1.4
207.05034	7.1
224.07642	3.8
242.15788	18.4
255.31464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.44986	0.9
53.03952	4.2
55.01888	2.5
55.05513	1.5
56.96567	5.1
57.03432	2.4
61.02934	11.0
65.03937	8.6
67.05509	5.7
69.03435	4.5
69.07072	2.3
70.77699	3.0
71.04983	1.4
71.98586	0.9
73.02914	1.1
77.03928	1.9
79.05508	7.1
81.03416	2.4
81.07073	6.3
82.04185	2.2
83.05002	3.4
84.96033	1.2
85.02888	5.8
89.95643	0.9
91.05489	19.2
93.03410	2.8
93.07051	5.0
94.04204	1.2
95.04976	16.0
95.08617	2.8
97.02908	4.6
97.06558	3.2
98.20803	1.0
98.97588	15.9
99.04443	1.9
105.03411	4.9
105.04497	1.7
105.07043	4.3
107.04961	12.9
107.08628	2.5
108.02126	1.6
108.05278	2.4
109.02921	3.2
109.06529	15.5
110.03675	2.9
110.97586	1.7
111.04465	2.3
114.95301	2.7
116.98628	6.2
117.07027	2.1
119.04977	6.7
119.08611	7.1
121.02859	5.4
121.06524	3.2
121.10181	2.0
122.03649	1.4
123.04434	18.0
123.08131	1.8
125.02361	7.3
125.06011	4.1
125.09653	1.0
127.03960	1.7
128.06250	1.2
129.07077	1.1
131.08601	2.0
132.05122	1.0
132.96349	2.8
133.02858	12.3
133.06470	1.2
133.10139	1.8
134.99677	1.6
135.04437	4.1
136.06203	3.8
137.05942	20.6
137.09625	2.2
138.03122	1.4
139.03885	1.6
140.04694	100.0
142.02640	2.4
145.10153	2.0
146.03668	1.6
147.04453	6.5
147.08134	2.5
149.06010	2.2
150.97424	1.1
151.07620	1.6
152.04712	3.0
152.06058	0.9
153.04021	1.7
153.05516	4.0
155.07045	98.1
158.99635	4.9
159.11670	1.7
161.01085	1.0
161.09589	2.6
163.03900	2.5
163.11256	1.5
165.01909	1.3
165.05499	17.9
165.09157	3.7
167.07130	2.2
169.05040	1.2
171.05089	1.8
171.06570	3.3
171.11804	1.4
173.06140	1.1
173.08151	4.9
177.00722	4.3
179.01988	2.2
179.07047	13.0
179.10728	2.2
180.04190	16.3
181.04970	74.8
181.46313	1.0
182.05734	1.2
183.06606	3.8
184.03722	1.8
189.09149	1.9
189.12733	1.6
193.04977	27.7
195.06575	12.5
196.98022	2.1
197.02959	28.0
197.05983	2.3
197.08064	9.6
200.06970	1.3
202.03603	1.3
207.06540	26.7
207.10019	4.8
207.13803	1.7
213.07800	2.1
215.04041	3.8
215.07040	2.9
219.01852	1.5
220.02446	2.3
220.04535	20.2
222.06525	1.4
222.08359	2.2
222.55005	1.1
225.07576	24.6
225.11163	1.9
225.14821	1.9
231.08882	2.4
243.06450	4.2
243.08560	19.3
243.15833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01865	1.4
55.05513	2.1
56.96566	7.0
57.03434	4.1
58.06308	0.8
58.06602	14.8
59.05008	0.7
61.02931	9.7
64.93316	0.3
69.03432	5.8
70.06255	0.4
70.06584	2.7
70.90294	0.4
70.90636	0.8
70.98110	1.7
70.99816	0.4
71.04980	1.3
71.95277	0.4
72.04515	0.5
72.08128	0.4
73.02918	5.5
73.06541	0.5
73.16585	0.4
74.00285	0.4
74.06052	0.4
75.04477	0.6
81.03405	3.4
82.99831	0.6
83.01308	0.4
83.04974	1.4
84.01549	0.6
84.08144	8.5
84.96008	0.7
85.02438	0.7
85.02911	10.6
85.06540	0.7
87.04459	1.3
88.99151	0.4
91.03957	0.9
97.02310	0.6
97.02896	7.5
97.99198	0.8
98.03214	0.5
98.06032	0.4
98.09698	1.2
98.97588	9.0
99.04447	1.8
99.73254	0.4
101.00892	3.3
101.02415	0.5
102.00955	0.6
102.01524	0.8
102.02443	0.5
103.03225	0.4
103.03943	0.5
109.02232	0.4
109.02907	1.4
110.01286	0.6
110.97554	2.2
112.99134	7.2
113.00864	1.7
113.02382	0.5
115.00682	0.6
115.02428	1.5
116.07088	0.6
116.98614	2.7
117.01992	1.1
119.01881	3.7
122.07157	0.8
124.99077	0.8
127.02422	0.9
127.03920	2.9
128.02301	1.3
128.10712	3.5
128.98610	1.9
129.04015	0.5
130.03659	0.7
131.00153	4.3
131.01805	2.2
131.02737	0.6
131.53357	0.4
132.03394	0.5
133.03439	1.8
134.06049	0.8
136.06229	0.6
137.01750	0.5
138.02528	0.7
138.05258	1.4
140.02293	1.0
140.03227	0.7
140.05003	0.7
143.00183	0.7
143.01921	2.7
144.03339	0.8
144.10176	0.7
145.01703	0.6
145.03450	1.5
145.05032	0.8
146.99644	1.2
147.03090	8.8
147.05882	1.9
148.03870	1.7
149.01183	0.7
149.02928	1.1
150.01814	0.9
152.07056	3.1
153.05789	0.6
154.01828	0.7
154.03712	0.8
154.04738	1.2
154.96458	0.6
155.01848	0.8
156.03587	3.3
157.01463	0.4
157.02475	0.7
157.03491	1.3
158.99756	0.9
159.01279	0.5
159.05020	0.5
160.03792	1.5
160.04985	3.0
161.02945	1.5
161.04436	0.4
161.06706	0.5
162.01669	0.5
163.04436	0.8
164.07077	1.0
168.03613	2.1
168.10283	0.9
168.98041	0.5
169.04288	3.6
170.01314	0.5
170.99702	0.5
171.01358	0.7
171.05057	0.7
172.02821	0.7
172.97575	0.9
173.01230	1.2
173.02943	2.0
173.06544	0.6
174.04411	1.2
174.99100	0.7
175.02733	0.7
175.04546	1.1
176.03355	0.6
177.00818	0.6
177.02615	0.7
177.04187	2.8
178.04933	0.8
181.03510	0.5
184.01566	0.4
185.01271	0.4
185.02908	1.0
185.06589	0.7
186.99194	0.7
187.02652	0.4
187.04482	0.8
189.00729	0.6
189.04182	0.9
189.05780	0.5
190.01210	0.5
191.02162	1.0
191.03972	1.6
196.01192	0.4
196.03824	0.4
196.09720	4.5
198.99156	0.6
199.04575	1.1
201.00696	1.0
201.02507	0.9
203.03932	1.1
205.01950	0.5
211.03647	0.6
213.15912	0.7
217.00070	0.9
218.03516	0.5
219.01842	2.1
221.05031	1.0
232.06091	0.6
232.99539	0.6
236.04428	0.9
237.02824	1.6
241.04721	1.7
241.15474	100.0
242.05573	0.6
242.15697	0.5
245.05008	0.5
259.06683	0.9
261.04916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98090	0.5
55.01857	0.6
55.05493	0.8
56.96566	4.6
57.03433	1.1
58.06600	13.7
61.02921	1.9
69.03424	1.4
70.06586	2.5
70.24241	1.1
70.24638	1.0
70.98128	1.1
71.04987	0.5
71.95235	0.5
73.02908	1.0
81.03398	0.7
84.08147	8.2
85.02908	3.3
87.04449	0.5
97.02901	1.1
98.09678	1.0
98.20820	0.5
98.97587	24.9
99.04475	0.4
100.11294	0.7
110.97569	1.1
112.99145	0.6
116.98618	9.8
118.44814	0.5
119.01865	1.3
123.29076	0.4
127.03934	1.3
128.10710	3.2
128.98601	0.6
130.77589	0.4
131.01839	0.5
133.03423	0.5
134.99667	1.8
140.00195	1.9
143.01888	0.6
144.10182	1.4
145.05003	0.5
147.04279	0.5
152.07121	0.7
154.03908	0.8
158.01257	1.6
158.99629	1.4
159.11922	0.5
168.10202	0.9
172.97580	0.7
175.02611	0.7
177.00699	3.0
181.04871	1.0
190.01181	1.0
195.01729	1.1
196.09718	3.5
198.99249	0.9
203.04079	0.6
219.01746	0.7
220.06004	1.1
232.06053	1.1
241.15472	100.0
242.15746	0.6
258.99774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
51.14884	0.2
53.03931	0.2
53.17750	0.2
55.01879	0.3
55.05502	0.5
56.96567	1.0
57.03424	0.8
58.06601	14.2
61.02925	1.5
69.03442	1.2
70.06596	2.4
71.55480	0.3
72.08134	0.3
73.02919	1.0
74.99115	0.2
77.97188	0.2
80.28038	0.2
81.03413	0.7
83.04971	0.2
84.08144	7.2
85.02901	2.5
85.06537	0.6
97.02882	1.5
97.99139	0.2
98.06039	0.3
98.09712	1.4
98.97591	3.5
99.04443	0.4
100.11246	0.3
101.00872	0.8
109.02891	0.4
110.97556	0.2
113.00875	0.4
113.02354	0.3
114.05528	0.4
115.02454	0.3
116.07069	0.4
116.98619	1.2
119.01917	1.1
120.01981	0.2
126.05467	0.4
126.09151	0.4
127.03911	0.5
128.10716	3.0
128.98586	0.3
131.01909	0.7
132.03453	0.4
133.03479	0.4
134.99631	0.3
139.02493	0.4
140.00168	0.3
143.01921	0.8
144.10223	1.1
145.03444	0.5
145.05013	0.5
147.03050	0.3
147.05751	0.7
155.01877	0.5
156.03499	0.3
157.03430	0.7
158.01288	0.3
160.04715	0.7
160.06645	0.2
161.02945	0.7
166.02872	0.2
168.10196	0.7
169.05345	0.4
171.01337	0.2
172.02800	0.4
173.03003	0.2
174.04387	0.2
175.04587	0.3
175.07687	0.2
177.00711	0.7
177.02350	0.3
177.04037	0.2
183.05067	0.3
185.03021	0.6
187.00912	0.2
191.03926	0.4
195.01723	0.4
196.09682	4.5
199.04466	0.3
200.04443	0.4
208.36714	0.2
213.15965	0.5
215.00539	0.2
218.03345	0.2
219.01808	0.3
221.05057	0.4
237.02753	0.4
241.15472	100.0
242.15793	0.7
245.05124	0.3
247.02974	0.2
259.06601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.4
70.32281	2.0
70.32644	0.8
70.99860	1.2
71.95267	2.1
73.02923	1.0
77.00919	1.4
81.03403	1.1
82.99858	0.7
84.34974	0.7
84.81779	0.6
84.99570	0.8
89.00907	2.1
91.17005	0.5
97.02912	0.8
98.97591	100.0
101.00890	6.4
103.00632	2.6
113.00930	1.0
115.02473	0.6
116.98630	40.3
119.01925	5.4
121.01686	1.5
127.02423	0.8
129.02145	0.9
131.01945	1.1
134.99672	8.6
135.01341	0.8
139.02432	2.4
140.00220	3.8
141.02130	1.2
143.01938	1.6
145.01564	0.6
145.03456	2.3
147.03189	1.5
148.01291	0.9
156.97498	1.6
157.03497	5.5
158.01248	3.1
159.03162	1.7
161.02963	1.5
167.01929	0.8
174.98596	0.8
177.00728	5.3
185.02937	2.2
187.02797	1.0
194.96359	2.3
194.97757	1.8
195.01782	1.6
200.04399	1.4
201.00975	0.9
203.03983	3.6
203.97020	2.2
205.03767	1.3
206.47147	0.8
216.99799	0.6
219.01848	3.1
221.05075	9.9
223.04790	4.9
236.92389	0.8
236.98630	2.3
237.99138	1.2
239.06148	7.2
240.98235	7.8
241.01425	15.6
241.05952	2.3
246.99872	1.1
254.93304	3.4
258.99756	18.7
259.02505	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05519	30.7
57.07071	14.3
59.05016	30.0
61.73634	4.5
67.05505	15.2
69.07073	42.0
70.19437	17.6
71.04991	7.4
79.05493	9.9
79.55970	4.0
81.07064	88.4
83.08631	24.3
85.06561	8.0
91.05450	5.3
93.07043	24.7
95.04996	4.5
95.08619	100.0
95.77139	4.3
97.10172	15.1
99.08112	6.0
105.07040	13.2
107.08607	42.7
109.10166	51.0
111.08078	7.8
111.11755	18.6
113.49583	3.8
119.08548	23.3
121.10143	34.7
123.11726	40.0
125.09627	14.2
125.34284	4.3
133.10172	24.4
133.10992	4.0
135.11719	38.8
135.59389	4.3
137.09677	4.1
137.13266	76.3
139.11201	32.5
143.10669	12.8
147.11720	27.3
149.13287	16.6
151.11249	10.6
157.12297	10.1
159.45288	3.9
161.13254	14.3
163.14836	34.3
175.14769	5.2
177.16397	7.7
189.86331	4.8
193.19519	8.0
203.17979	70.8
221.19038	71.3
239.08940	5.6
239.20018	52.4
258.68210	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05520	33.8
57.07077	22.4
59.05009	30.6
64.85130	4.1
67.05508	23.0
69.07070	42.2
70.78724	11.7
71.04993	9.8
79.05483	11.5
81.07058	85.3
83.08633	36.0
85.06542	8.7
91.05482	8.2
93.07056	32.8
95.08619	100.0
97.06538	10.5
97.10185	19.7
98.20788	4.5
105.07033	17.5
107.08612	52.1
109.06487	6.0
109.10168	55.1
111.08076	11.0
111.11730	18.9
119.08582	33.5
121.10159	33.8
123.08055	4.7
123.11720	43.7
125.09652	16.5
127.11206	4.5
133.10143	35.8
135.11708	51.5
137.09619	5.7
137.13264	85.7
139.11174	29.2
143.10713	13.5
147.11707	24.5
148.44379	3.8
149.13249	20.0
151.11201	14.4
151.14749	5.3
151.43806	3.9
157.12273	7.3
161.13301	13.8
163.14801	36.2
165.12805	7.7
175.14816	7.0
176.61221	4.2
177.16455	11.3
193.19496	7.7
203.17967	79.0
221.19031	87.0
239.08871	4.7
239.20108	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	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
50.25809	0.5
52.97408	0.4
53.00292	0.9
53.03928	0.7
55.05515	17.4
57.07078	100.0
58.53369	0.5
60.40108	0.5
65.03931	0.7
67.05506	38.5
69.07070	19.0
71.04985	1.1
71.08633	66.5
79.05492	2.6
80.94843	0.6
81.07058	41.8
83.08622	23.9
85.06538	2.7
85.10184	32.6
89.06026	1.8
91.05485	1.1
93.07029	1.7
95.08608	61.2
97.10171	10.5
99.08068	1.2
99.11729	1.9
105.07029	0.8
107.08582	0.9
107.79657	0.5
108.57154	0.5
109.10160	22.1
111.11715	1.8
113.09624	0.8
123.10935	0.8
123.11723	7.5
129.06937	0.6
137.13293	2.6
140.26671	0.5
151.14832	0.9
197.13319	0.5
203.17682	0.7
219.71246	0.5
221.22600	0.6
229.33440	0.7
239.08881	15.3
239.18048	0.7
239.20172	0.7
239.23622	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	239.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.9
53.03935	7.4
55.01858	3.6
55.05514	25.9
56.96568	3.3
57.03430	4.0
57.07061	5.2
59.04999	2.6
65.03909	1.9
67.05511	48.7
69.07077	16.1
71.04985	4.3
71.08627	2.6
71.68617	1.7
73.06544	2.6
79.05499	79.3
80.94854	3.8
81.03420	4.3
81.06604	2.3
81.07065	46.9
83.04986	29.8
83.08620	9.9
85.06535	4.5
89.06032	6.7
91.05489	63.6
93.07050	100.0
95.04991	16.9
95.08624	27.9
97.06531	4.9
97.10183	3.7
105.04530	3.7
105.07033	39.6
107.04941	5.3
107.08591	16.5
109.06516	7.1
109.10151	6.3
115.05441	2.5
117.07020	7.0
119.08591	24.0
121.06507	3.7
121.10119	4.5
123.08131	8.5
123.11656	2.0
128.06146	2.9
129.07027	22.1
131.08568	5.0
133.08580	2.7
133.10144	10.7
135.11668	3.2
143.08607	9.8
145.10110	13.0
147.08026	4.0
147.11702	65.0
155.08536	3.2
161.09637	6.5
161.13260	21.7
165.06978	4.3
169.10214	2.0
171.10275	3.2
171.11694	42.9
179.08565	3.0
179.14366	3.2
189.12769	21.0
193.12248	2.7
197.13148	1.8
207.13828	25.1
210.92200	2.2
221.11699	2.3
221.15607	2.3
239.08899	83.7
239.14362	4.0
239.18034	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03943	2.6
55.01847	2.0
55.05506	12.1
56.96560	2.6
57.03432	3.0
57.07075	7.0
59.04991	6.3
67.05505	27.5
69.03423	13.8
69.06778	1.3
69.07068	14.9
69.52283	2.7
69.52678	9.4
71.04995	31.8
79.05129	1.6
79.05497	16.8
80.51012	1.3
81.03420	2.0
81.07057	93.9
83.04951	4.4
83.08609	6.8
84.82893	1.3
85.02859	2.2
85.06549	6.7
91.05476	14.6
93.07046	100.0
95.04983	7.7
95.08609	39.8
97.06532	7.5
97.10171	2.9
98.97613	2.9
99.08083	9.0
105.07028	27.5
107.08599	36.2
109.06513	14.6
109.10170	25.2
111.08072	6.4
113.06015	7.3
113.09644	2.6
115.07570	4.4
117.06998	5.1
119.08578	26.4
121.06524	2.0
121.10146	22.6
123.08102	6.7
123.11704	53.1
125.09600	9.7
127.07562	3.0
127.11196	20.8
131.08557	8.3
133.10127	42.3
135.08047	2.6
135.11690	16.2
137.09608	5.7
137.13231	1.4
139.11186	6.2
143.10634	4.3
145.10120	20.9
147.11711	13.2
149.09596	3.9
149.13254	7.2
151.11189	50.1
155.10645	8.8
159.11717	17.8
160.80177	1.5
161.13235	6.9
163.07573	2.0
163.11162	6.1
165.12791	2.7
173.13277	7.2
175.14806	4.4
176.97154	1.4
177.12746	7.4
177.16371	5.4
179.14261	3.1
191.14296	3.7
191.18001	8.3
192.06628	1.7
199.48401	1.3
201.16400	16.5
219.10242	3.8
219.13927	2.8
219.17429	43.8
233.42209	1.4
237.11041	4.3
237.14810	11.2
237.18498	46.9
237.22137	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.51224	1.0
52.14600	1.2
53.03946	2.0
55.01857	1.2
55.05515	6.8
56.96573	1.6
57.03428	1.5
57.07065	4.6
58.37312	1.1
58.61472	1.1
59.05001	7.1
61.02931	1.2
65.03935	1.3
65.47684	1.1
67.05178	1.7
67.05506	19.9
68.82380	1.1
69.03416	5.3
69.07069	7.4
69.71404	7.6
71.04994	22.1
79.05495	11.9
81.07056	86.9
83.04951	1.6
83.08605	4.1
85.02888	1.4
85.06529	4.6
89.32462	1.1
89.57587	1.2
91.05482	11.3
93.07043	100.0
94.58116	1.1
95.04947	5.3
95.08610	29.3
97.06517	3.3
98.97586	8.2
99.08098	5.9
105.07031	22.3
107.08608	20.6
109.06521	7.1
109.10154	14.0
111.08071	2.7
113.06001	6.5
113.09664	1.7
115.07558	3.5
116.98662	2.5
117.06989	1.4
119.08580	18.8
121.10149	12.8
123.08058	3.4
123.11709	49.5
125.09634	4.6
127.07552	4.9
127.11207	6.7
130.57042	1.1
131.08571	4.2
133.10130	35.0
135.08069	2.3
135.11720	10.9
139.11191	2.2
143.10696	2.9
145.01727	1.6
145.03452	1.6
145.10207	6.5
147.08130	1.2
147.11700	12.9
149.09647	2.6
149.13234	4.1
151.11188	30.7
154.03888	10.3
155.10652	4.0
158.99652	1.8
159.08023	1.3
159.11751	8.3
161.13281	5.4
163.04369	2.8
163.11157	2.4
165.12714	2.9
173.13251	4.4
175.14836	3.0
177.12744	3.1
181.68260	1.1
185.10359	1.1
191.14297	3.9
191.16237	1.2
191.17915	5.1
196.08496	1.2
201.16377	9.9
219.10033	2.3
219.17436	34.6
237.10944	1.8
237.14815	2.2
237.18515	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
52.04754	1.4
53.03944	3.8
55.01874	4.9
55.05512	23.6
56.96567	8.1
57.03430	6.0
57.07072	6.4
59.05009	3.8
61.02868	1.3
65.03953	1.8
67.05505	23.1
68.22910	1.6
69.03432	33.1
69.07068	17.3
71.04598	3.5
71.04994	66.9
71.56776	2.0
71.99502	1.4
73.02907	2.1
73.06551	3.2
76.72717	1.4
79.05495	26.8
79.05917	2.9
81.03412	3.4
81.07063	94.2
83.04986	16.0
83.08625	6.9
85.02899	7.7
85.06559	10.1
90.35513	1.7
91.05489	27.6
93.07047	51.2
95.04968	13.3
95.08616	29.2
97.02887	3.5
97.06529	13.6
97.10194	4.0
98.97588	22.0
99.04482	3.9
99.08098	23.8
103.05495	1.8
105.07035	51.9
106.07409	1.7
107.04951	7.2
107.08601	39.2
109.02905	1.8
109.06525	28.8
109.10165	32.4
110.97586	2.8
111.04493	1.8
111.08099	6.8
111.11757	2.2
113.09680	2.2
115.05453	3.5
116.98621	5.3
117.07021	11.0
119.04935	3.6
119.08592	22.6
121.06555	4.7
121.10145	23.8
123.08060	13.8
123.11712	22.3
125.09659	15.7
127.03922	1.8
127.07557	9.5
127.11204	66.8
128.06137	1.9
129.07027	4.7
131.04959	2.4
131.08580	21.4
133.09119	3.8
133.10136	77.9
135.08063	8.2
135.11697	12.9
137.06010	3.8
137.09631	6.8
137.13231	1.7
139.07565	1.9
139.11182	9.9
139.12099	1.6
141.07025	2.9
143.08562	2.7
143.10661	13.0
144.05763	2.7
145.06482	3.5
145.10129	32.2
147.04401	11.7
147.08093	2.3
147.11720	15.4
149.05983	2.0
149.09616	5.6
149.13248	7.9
151.11192	100.0
153.09119	3.3
153.12820	3.2
154.03870	1.6
155.10680	26.4
156.08006	2.4
157.10170	3.7
158.99701	5.8
159.08087	6.9
159.11705	21.0
161.09639	3.2
161.13287	7.0
163.04341	1.4
163.07559	4.3
163.11227	7.1
165.05408	2.8
169.12195	1.9
173.06133	2.3
173.13283	8.2
175.07655	1.8
175.11240	1.6
175.14767	2.7
177.00768	5.4
177.05470	1.9
177.09196	3.9
177.12778	6.7
181.12308	1.9
183.11702	4.2
187.07536	5.0
191.07059	6.1
191.14311	6.2
201.12814	8.7
201.16353	15.5
205.08740	1.6
207.09789	2.6
219.06499	2.2
219.10245	10.6
219.13907	13.1
219.17429	25.5
228.10170	7.9
237.07454	7.8
237.11046	13.2
237.14848	24.4
237.18532	29.0
237.60826	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.74167	1.4
55.01875	2.7
55.05510	9.3
56.96568	4.7
57.03441	3.0
57.07084	3.8
59.05001	7.9
67.05509	20.3
69.03418	5.0
69.07072	10.5
69.82743	6.5
69.83160	3.2
71.04998	27.9
72.44072	1.8
79.05498	13.0
81.07063	90.7
83.04993	2.1
83.08615	4.7
85.02921	1.7
85.06561	5.4
91.05491	20.5
93.07052	100.0
95.04978	6.2
95.08616	33.5
97.02920	1.7
97.06526	6.2
97.10123	2.2
98.20846	3.2
98.97595	15.6
99.08110	15.5
102.96889	4.2
105.07039	29.8
105.07699	3.1
107.08602	33.6
109.06516	8.5
109.10155	21.2
111.08076	4.0
113.06010	6.7
115.07585	4.7
116.98601	3.8
117.07034	2.7
119.08585	21.6
121.10159	14.1
123.08102	3.4
123.11716	46.1
124.02826	2.6
125.09615	7.6
127.00642	2.3
127.07568	5.7
127.11201	11.1
131.08583	7.8
133.03398	3.0
133.06445	1.6
133.09119	3.0
133.10136	47.1
135.08055	2.5
135.11717	12.1
137.09636	4.8
139.11211	3.4
143.10695	3.1
145.10147	13.1
147.11694	16.7
149.09700	3.3
149.13269	8.8
151.11186	55.3
154.03874	9.8
155.10643	5.9
158.99651	5.1
159.11719	11.9
161.05931	2.1
161.13277	6.8
162.91687	1.8
163.04453	3.5
163.07487	1.6
163.11203	3.2
165.12737	1.9
173.13272	4.6
175.14845	2.0
177.00688	2.2
177.12811	3.3
191.14348	5.0
191.17918	4.5
195.17432	2.1
201.16367	14.3
219.10133	1.6
219.17456	45.8
219.19591	2.6
228.09972	1.8
237.07561	2.0
237.11226	2.1
237.14801	2.9
237.18541	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03946	2.5
55.05504	10.8
55.43499	1.5
57.03442	2.9
57.07065	3.5
58.90224	1.5
59.05013	9.3
67.05220	1.8
67.05511	18.4
69.03429	14.4
69.07088	9.0
70.88583	3.7
70.88931	3.0
71.04998	29.1
79.05496	14.9
81.07063	100.0
83.04975	4.0
83.08619	3.6
85.06534	4.2
91.05479	7.5
93.07050	22.5
95.04969	6.9
95.08616	16.7
97.06564	9.5
97.07076	1.6
97.10186	4.7
98.97534	2.4
99.08099	45.6
105.07026	27.6
107.08598	26.5
109.06526	14.4
109.10165	32.1
111.08121	4.4
119.08608	13.6
120.36925	2.1
121.10149	15.5
123.08057	6.5
123.11732	12.7
125.09629	7.6
127.07573	26.6
127.11201	29.0
131.08525	4.3
133.10141	48.8
135.11694	10.0
137.09575	3.3
139.11176	3.9
143.10695	6.5
145.10127	15.0
147.11713	11.3
149.13330	11.1
151.11200	45.2
155.10678	13.2
156.53938	1.9
159.11687	9.8
161.13307	9.6
163.11249	2.3
165.12802	3.5
169.12218	4.8
175.14813	3.2
177.12759	2.3
191.17955	2.4
201.16391	12.0
219.17458	24.4
237.14845	2.1
237.18483	19.8
237.22102	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	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03946	4.1
55.01867	8.4
55.05516	15.4
57.03429	8.7
57.07074	5.7
59.04995	7.2
60.93785	2.4
60.95852	4.7
67.05497	19.3
68.02959	2.3
69.03426	33.7
69.07083	14.3
70.04906	4.9
70.05320	8.0
71.04598	3.5
71.04995	66.2
79.05488	25.8
81.03426	2.9
81.07058	84.0
83.04971	11.8
83.08624	6.9
85.02889	6.2
85.06548	9.0
91.05465	25.5
92.05814	2.7
93.07048	44.8
95.04969	14.2
95.08601	28.8
97.02901	3.7
97.06525	9.8
98.97579	4.1
99.08083	16.2
102.96863	4.8
103.05460	8.7
105.03339	3.2
105.07027	41.9
107.04922	5.7
107.08602	43.0
109.06527	33.1
109.10154	30.2
111.00777	2.9
111.04446	2.6
111.08067	5.0
111.11739	3.2
115.05424	3.2
117.07034	5.3
119.04950	2.8
119.08600	23.1
121.06494	8.0
121.10139	18.9
123.08054	10.8
123.11709	24.2
125.05969	2.1
125.09629	17.7
127.04001	2.5
127.07552	5.5
127.11195	78.1
129.07014	4.9
129.10178	2.5
131.04948	19.0
131.08554	15.7
133.06439	4.0
133.10130	55.2
135.08060	9.2
135.11716	10.3
137.04504	2.5
137.05975	3.3
137.09637	6.6
139.07527	2.7
139.11163	10.0
141.07053	3.3
141.73924	2.4
143.10674	14.1
145.10110	30.6
147.04382	4.4
147.08031	5.0
147.11670	13.1
148.05214	11.9
149.02399	10.9
149.05972	2.4
149.09637	5.2
149.13239	4.1
151.11180	100.0
153.01880	5.4
155.10645	33.6
157.06538	2.5
159.08064	5.3
159.11708	15.6
161.09570	3.8
161.13268	5.1
163.07530	9.9
163.11197	7.5
173.09654	3.3
173.13324	5.3
175.07521	2.7
175.14842	3.5
177.05467	3.4
177.09125	5.0
177.12746	5.2
185.06422	6.1
186.05396	5.7
191.07027	9.8
191.10715	3.7
191.14253	4.4
193.04959	5.9
193.08568	2.1
201.05487	3.6
201.12611	2.9
201.16399	9.7
207.10182	3.6
216.06366	22.5
216.07852	2.1
216.56645	2.6
219.06572	5.9
219.10207	9.0
219.13844	7.7
219.17448	13.9
237.07497	10.3
237.10947	12.3
237.14699	11.8
237.18549	23.1
237.22148	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	237.185
Annotation	2-Sterpurene-10,15-diol
Peak:m/z	Relative Intensity
55.05503	6.7
56.96575	2.1
57.07074	4.2
59.05002	5.7
67.05511	20.2
68.99789	9.1
69.03426	7.6
69.07070	7.8
71.04998	26.4
71.29597	3.6
79.05491	12.8
80.39111	2.2
81.07063	88.9
83.04977	3.4
83.08625	4.7
85.06544	4.3
91.05491	16.8
93.07050	100.0
95.04979	7.7
95.08610	36.7
97.06522	3.8
97.10222	2.1
98.97607	8.2
99.08074	8.2
105.07034	33.6
105.07687	2.8
107.04960	8.4
107.08579	25.3
109.06527	7.8
109.10158	19.6
111.00806	28.1
111.04459	5.6
111.08073	2.9
113.05998	5.2
115.07569	4.8
117.07001	3.3
118.60516	1.7
119.08585	18.6
119.71849	1.7
121.10172	9.9
123.08085	6.4
123.11715	47.7
125.09649	5.3
127.03958	7.2
127.07579	2.6
127.11208	11.7
131.08546	8.8
133.10138	49.1
135.11734	8.8
137.09621	5.2
139.11203	2.4
145.10132	13.0
147.04488	1.9
147.11697	13.4
149.06036	7.4
149.09694	2.4
149.13275	5.2
150.03177	2.1
151.07623	3.9
151.11191	42.9
153.01820	8.6
154.03876	8.4
155.10724	3.4
158.99657	5.0
159.11729	9.6
161.13300	4.9
163.03920	8.1
163.07545	5.1
163.11183	2.4
173.05977	2.7
173.13272	5.4
175.14890	4.5
177.12796	3.6
177.16428	2.0
191.07047	89.0
191.14291	3.3
191.17923	4.4
201.16405	14.6
219.06561	50.7
219.17441	40.3
220.60754	1.9
228.10268	2.0
237.07590	5.7
237.14925	2.2
237.18517	39.9
237.56540	1.5
250.29396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.26800	1.6
53.03943	3.5
53.21724	1.6
55.01877	1.9
55.05517	9.5
57.03423	3.1
57.07081	4.7
59.04993	6.2
67.05511	15.7
69.03431	14.5
69.07066	12.3
69.96322	7.3
71.04999	28.0
71.23579	1.5
79.05496	23.5
81.07062	100.0
83.04982	5.2
83.08623	5.8
85.05014	1.6
85.06577	3.9
91.05481	13.3
91.41235	1.6
93.07047	29.6
95.04977	6.3
95.08614	23.4
97.06528	8.8
97.10181	5.0
98.97562	7.6
99.08105	37.3
101.36234	1.8
105.07034	29.0
107.08602	24.8
109.06527	15.4
109.10164	29.8
111.08118	4.0
113.06020	1.8
117.07060	2.3
119.08607	15.3
121.10154	17.1
123.08073	4.9
123.11714	10.4
125.09601	8.9
127.07568	20.8
127.11202	27.9
131.08577	6.8
133.10141	33.0
135.08066	3.4
135.11722	12.2
139.11150	3.8
143.10709	8.6
145.10143	15.2
147.11650	11.4
149.13237	6.0
151.11186	40.8
155.10678	12.6
157.10144	2.6
158.99695	3.4
159.11739	10.2
161.13249	11.4
169.12234	6.0
173.13408	2.6
175.14841	1.8
177.00691	1.7
177.12799	2.5
179.14209	3.5
191.17958	3.0
201.16399	13.7
219.10243	2.4
219.13968	2.7
219.17455	16.8
225.08859	4.8
237.11217	1.9
237.14839	3.2
237.18532	19.9
237.22256	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Atlantolone
Peak:m/z	Relative Intensity
50.55510	1.4
53.03946	2.4
53.21363	1.3
54.32084	1.2
55.05509	7.1
56.96575	1.7
57.07062	3.9
59.05005	1.6
65.96863	1.3
67.05502	8.9
69.03433	3.5
69.07076	7.3
71.04994	14.4
71.36123	2.1
73.06539	3.1
77.13996	1.1
79.05495	12.0
79.08968	1.3
81.07060	31.8
83.04979	3.0
83.08594	2.0
85.06541	1.6
91.05478	8.0
92.31738	1.4
93.07047	51.2
95.04972	3.6
95.08611	11.2
97.02885	2.1
97.06525	3.1
97.10145	1.5
98.49023	1.1
98.97626	6.2
98.98184	1.4
99.08092	2.2
105.07032	16.4
107.08600	25.9
109.06538	2.9
109.10136	7.0
110.97579	1.3
111.08111	1.3
116.98603	2.2
117.07017	2.9
119.08586	18.5
121.06475	1.5
121.10146	100.0
123.08059	3.3
123.11712	11.8
124.99192	1.2
125.09653	6.2
127.11219	4.6
131.08609	3.3
133.10149	6.5
135.08038	2.0
135.11693	33.7
137.13226	1.6
143.10681	5.6
145.10126	15.6
147.11667	10.2
149.13260	4.2
151.11188	4.2
159.11725	11.3
161.13261	4.8
163.11119	2.1
171.06746	2.8
175.14897	2.9
176.12021	1.6
177.12758	1.9
191.17975	4.2
201.16371	10.5
219.01750	1.7
219.10185	1.5
219.17471	21.7
225.08797	1.9
226.31453	1.3
237.06850	1.9
237.08929	1.7
237.11008	2.2
237.14841	2.3
237.18533	14.1
237.22249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
50.01608	0.4
51.02386	0.5
53.03947	5.5
55.01866	0.7
55.05507	2.7
56.96568	1.3
57.07074	3.4
58.09643	0.3
58.96128	1.6
59.04987	0.4
59.86950	0.3
65.03939	1.3
67.05504	17.8
69.03436	0.5
69.07069	2.5
71.04989	1.1
71.17236	0.7
77.03915	1.5
77.59464	0.3
79.05494	21.5
80.98089	0.3
81.03434	0.9
81.07059	7.5
83.04960	0.7
83.08617	1.3
85.06543	0.7
91.05481	34.9
93.07043	100.0
94.07347	0.8
95.04965	6.9
95.08606	6.3
97.06536	0.9
97.10146	0.6
98.97572	0.8
99.05377	0.3
99.98747	1.1
101.06018	0.4
105.04511	3.4
105.07030	4.2
107.04947	0.6
107.07872	0.7
107.08596	12.3
109.06538	0.6
109.10157	2.8
111.08041	0.4
112.99133	3.5
115.05360	0.4
115.73228	0.4
117.07030	1.8
119.08588	5.9
121.06483	0.5
121.10146	17.7
123.04424	0.4
123.08098	0.3
123.11722	1.1
129.06998	1.2
131.00169	2.5
131.08580	2.3
132.32382	0.3
133.10135	5.9
135.08073	1.9
135.11722	3.5
137.09634	1.0
143.08548	1.1
145.10136	1.3
147.11716	1.5
149.01195	1.1
149.09634	1.1
151.11201	0.8
153.09132	0.8
154.01674	0.4
157.10118	0.9
161.09627	1.0
161.13266	0.6
171.11671	1.4
173.13278	0.6
175.07310	0.3
175.11171	0.8
175.14839	2.5
179.10666	2.1
189.00632	0.6
189.12703	0.7
189.16368	1.3
190.06133	0.3
193.03780	0.3
193.12247	0.5
199.14803	2.6
217.15886	2.3
217.19484	0.9
235.04887	1.2
235.09651	0.4
235.16934	18.3
235.20418	2.5
250.95244	0.3
253.05905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76162	0.7
55.01859	2.3
55.05503	4.7
56.96566	8.9
57.03424	3.5
57.06827	1.0
57.07076	12.2
58.99591	8.7
59.04989	1.0
65.03931	1.0
67.05507	19.8
69.03426	4.1
69.07055	2.5
69.95962	3.1
71.04996	100.0
72.93796	1.0
73.02920	2.1
79.05480	2.8
81.03426	1.4
81.07028	2.9
83.04959	3.4
84.08128	1.4
85.01129	0.9
85.02895	4.9
85.06548	26.3
86.99054	6.9
87.02656	1.0
89.00636	1.1
91.05464	2.8
93.07027	3.1
95.04975	17.6
95.08604	2.6
97.01117	1.6
97.02896	2.2
97.06539	1.9
98.97584	7.5
99.02653	4.1
101.04217	0.9
101.05991	2.5
105.00115	4.7
105.07011	3.0
107.04959	2.1
107.08586	1.8
109.02895	1.2
109.10175	1.7
110.97544	1.3
111.02676	12.9
111.04438	2.8
112.99136	21.8
113.06007	89.1
113.96398	2.0
115.05465	3.4
116.98647	3.9
119.08564	1.8
121.10153	1.4
123.04372	1.6
125.04208	2.8
127.02129	3.5
127.03840	0.9
129.03691	3.4
129.05428	1.0
131.00172	26.0
131.07013	2.7
131.97552	0.8
132.95836	2.2
133.06444	1.2
133.10057	1.1
135.08047	1.6
137.05988	1.8
139.03922	0.9
143.04893	4.4
145.06467	1.2
147.04350	2.1
147.11638	1.6
149.01230	11.4
151.03865	1.6
153.03697	7.0
158.99652	2.1
159.00998	1.1
161.05980	7.1
161.09550	1.1
163.07510	0.8
165.05423	1.7
167.02213	1.1
167.07028	1.1
171.04707	7.3
173.02711	1.8
174.96880	1.5
175.02803	2.0
175.04178	1.5
175.07510	1.8
175.08891	0.9
177.00671	2.1
179.10648	7.5
181.02933	1.0
187.07411	0.9
189.00746	1.1
189.05591	14.2
189.09122	2.0
191.07170	1.1
191.17838	0.9
193.03738	3.9
207.06548	1.5
211.04880	2.3
217.05292	24.4
217.19492	1.3
218.11066	2.4
221.54501	0.8
233.26079	0.8
234.57614	1.7
234.99138	1.0
235.04967	6.7
235.10509	3.0
235.14807	1.2
235.16927	31.4
235.20390	3.6
253.06003	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	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03938	1.9
55.01863	2.6
55.05513	13.1
55.19388	0.8
56.96572	4.9
57.03437	2.2
57.07074	13.3
58.96125	5.1
59.05012	4.1
64.13838	0.9
67.05506	25.6
69.03432	6.5
69.07071	21.6
71.04985	8.7
71.08617	1.5
71.12173	2.0
76.24809	0.8
79.05492	17.9
81.03424	2.1
81.07059	40.2
83.05000	5.6
83.08631	8.9
85.06554	5.5
91.05482	19.7
93.07048	30.0
93.07635	1.9
95.04968	9.1
95.08610	41.1
97.02895	0.9
97.06533	13.1
97.10171	1.9
98.97586	5.1
99.08091	2.6
99.98752	5.2
103.05430	1.3
105.03399	1.1
105.07036	41.5
107.04947	2.1
107.08598	39.8
109.06523	11.3
109.10159	23.5
111.08096	6.5
112.99132	12.8
113.09640	1.1
115.05456	2.8
116.98637	2.2
117.07025	7.0
117.99799	1.7
119.08585	100.0
121.06512	5.0
121.10146	28.0
123.04454	0.8
123.08080	7.0
123.11716	10.5
125.09653	1.0
128.06210	3.6
129.07030	4.9
130.07777	1.3
131.00165	13.6
131.08571	16.5
133.06483	2.7
133.10133	57.0
134.99640	1.3
135.08066	19.5
135.11691	17.6
137.09604	10.0
137.13263	3.2
139.11195	3.5
140.35727	1.0
141.01350	0.8
142.07787	5.9
143.08534	11.1
144.09346	2.2
145.06451	1.7
145.10121	14.4
146.07289	2.4
146.10794	0.9
147.08052	7.6
147.11693	24.4
149.01215	6.1
149.09648	4.8
149.13206	5.1
151.11188	10.4
153.12686	1.0
154.01750	1.3
155.08542	1.5
156.09372	3.9
157.10141	14.3
158.10901	3.7
158.99634	1.2
159.08076	2.2
159.11700	12.5
160.08817	2.5
160.12538	2.0
161.09619	65.1
161.13261	9.6
163.11186	1.1
163.14809	1.8
169.10136	2.3
170.10867	2.5
171.11684	9.4
173.13261	21.6
175.07486	1.0
175.11192	13.6
175.14816	20.4
177.00696	0.8
177.12700	5.3
179.10660	14.5
184.12483	2.3
187.11159	4.3
187.14830	5.0
189.12802	3.9
189.16393	22.9
191.14362	4.2
193.03838	2.4
193.12234	1.3
193.15869	3.3
199.14801	13.4
201.07474	1.0
202.13593	2.2
211.04803	1.3
214.60574	1.1
217.15887	94.1
217.19269	17.8
229.99310	1.5
235.04933	3.8
235.09618	2.5
235.16934	88.7
235.20486	26.9
253.05902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03946	1.4
55.01874	1.4
55.05512	4.1
55.37271	0.8
56.96568	4.0
56.96812	0.7
57.03426	1.0
57.07065	2.9
59.04994	1.0
67.05505	5.9
69.03423	6.1
69.07061	4.6
71.04997	4.0
72.04509	2.0
74.27629	0.8
78.75356	0.8
79.05495	38.7
81.03429	1.4
81.07058	11.9
83.04967	2.9
83.08614	5.0
85.02888	2.2
85.06531	3.1
91.05485	10.3
93.07050	10.5
95.04971	7.2
95.08623	6.8
97.02877	1.1
97.06509	2.9
98.97552	1.4
100.25132	0.8
101.00886	2.6
103.05469	0.9
105.00118	1.1
105.07027	16.2
107.04958	37.4
107.08593	11.4
108.68829	0.8
109.02857	1.4
109.06504	2.8
109.10171	5.0
111.04454	1.4
111.08094	4.2
113.05991	1.5
117.07018	4.7
119.01902	4.0
119.08583	16.3
119.09384	1.6
120.08997	0.8
121.06496	3.5
121.10150	7.0
123.01176	1.0
123.08057	2.1
123.11732	1.6
125.09614	2.0
128.06181	1.3
129.07037	2.7
130.07796	1.3
131.08565	15.1
131.09525	1.4
133.06493	1.4
133.10136	10.4
135.08070	4.3
135.11700	2.9
137.05980	1.9
137.09621	6.0
142.07755	1.9
143.01897	7.8
143.08557	2.1
144.01967	1.0
145.06464	2.3
145.10121	18.5
146.10925	1.1
147.08051	14.9
147.11688	18.3
149.09645	6.9
149.13269	3.3
153.09018	1.0
155.08536	1.6
156.09308	1.4
157.10115	5.6
158.10898	1.7
159.04468	0.9
159.05809	1.6
159.08047	1.9
159.11705	3.8
160.08788	1.3
161.02951	9.6
161.09583	1.1
163.02827	0.9
163.11157	4.0
167.18320	0.8
169.01730	3.0
169.10124	1.3
171.11694	2.9
172.05260	0.8
172.12555	1.3
173.09679	5.7
173.13266	13.3
175.11191	20.9
175.14699	0.9
177.05589	0.8
177.09035	1.1
182.10838	1.2
184.04533	1.2
187.02773	6.3
187.11153	1.0
187.14868	6.5
189.12737	10.2
191.14308	47.0
197.13278	3.0
203.04048	1.2
212.11446	4.6
215.14314	11.7
215.17865	2.1
233.02319	1.3
233.08080	3.3
233.15364	100.0
233.18704	5.6
234.15851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03941	6.3
55.01878	9.4
55.05504	5.5
56.96560	4.2
57.03444	2.4
57.07053	1.7
58.47536	1.8
65.03937	3.9
67.05505	15.9
68.67723	2.1
69.03433	18.8
69.07059	6.4
69.49169	10.7
71.04999	8.3
73.02931	1.9
77.03954	2.2
79.05499	28.1
80.46431	2.0
81.03427	3.9
81.07068	18.4
83.04984	4.4
85.02895	5.4
85.06539	5.1
91.05489	35.5
93.07044	32.8
94.07406	1.8
95.04974	16.5
95.08598	9.7
97.02903	3.4
97.06523	4.1
98.20757	3.2
98.97594	17.7
99.04445	12.5
102.13136	1.5
103.05476	9.5
105.07040	60.2
107.04303	2.4
107.04960	23.3
107.08591	11.8
108.05293	4.1
109.02873	2.9
109.06529	8.0
109.10175	3.6
113.06004	1.8
115.05459	6.2
116.06219	5.5
116.98611	4.4
117.07028	32.0
119.04951	84.3
119.08595	25.3
121.06515	36.7
121.10130	7.4
123.04374	2.5
123.08047	3.6
125.05971	4.6
126.09122	1.9
127.03922	2.4
127.09471	2.3
128.06238	7.9
129.07011	10.5
130.07820	11.9
131.04919	11.5
131.08577	33.9
133.06494	11.2
133.10168	15.7
134.07205	2.1
135.04471	3.2
135.08049	4.3
135.11688	4.5
137.05968	3.3
137.09583	3.7
141.06989	7.4
142.07787	4.5
143.08617	13.2
144.05716	1.7
144.09380	9.6
145.06516	18.3
145.10138	99.5
146.10446	1.9
147.08047	5.7
147.11659	6.8
148.08900	2.1
149.05936	3.2
149.09541	3.0
149.13199	1.5
151.07513	2.6
153.07010	2.5
154.07767	10.2
155.08586	6.0
157.06456	2.4
157.10222	2.6
158.07286	9.9
158.99707	5.1
159.08118	15.8
159.11710	53.6
161.05922	1.7
161.09604	4.5
161.13313	3.0
163.07573	5.7
163.11189	64.9
164.11490	2.3
164.76816	1.5
169.05193	1.6
169.10133	23.9
171.08054	3.5
171.11635	4.8
172.05249	3.4
172.08836	6.7
173.06006	3.4
173.09636	77.3
173.13228	4.7
174.10219	1.7
175.07523	7.2
175.11015	1.7
177.00700	6.2
177.09143	2.1
177.12769	3.4
178.91206	1.7
179.08594	8.3
181.06441	2.7
182.07228	4.4
187.11197	100.0
188.11494	2.7
189.12721	4.5
191.06773	2.9
191.10669	15.2
191.14291	2.9
191.56720	3.2
197.09637	28.4
200.04559	1.7
200.57372	1.8
205.08533	1.9
205.12225	18.6
213.09511	4.9
215.10699	95.2
215.14247	5.3
216.11104	2.6
233.08231	8.5
233.11719	60.5
233.15401	17.3
233.18987	3.6
234.06813	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	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
53.03936	1.5
54.70913	0.9
55.01877	1.6
55.05511	9.0
56.05038	18.8
56.96566	10.9
57.03436	5.8
57.07056	1.1
58.06602	3.0
59.05000	0.9
61.02918	2.0
61.60911	0.6
67.05499	1.8
69.03432	10.2
69.07067	1.1
71.01347	2.4
71.04984	2.0
71.55737	0.8
72.08154	3.0
73.02924	4.8
73.06557	12.7
74.06081	100.0
75.04491	1.2
79.05495	1.4
81.03432	3.5
81.07055	1.4
83.01330	0.7
83.05008	1.6
84.04520	2.9
84.08122	1.1
85.02907	9.4
85.06526	1.0
86.03222	1.5
86.09708	23.6
87.04468	2.0
88.90018	0.6
91.05484	1.5
92.59547	0.7
93.07043	1.2
95.04995	1.0
97.02895	18.1
98.97585	9.0
98.98500	0.7
99.04470	1.5
101.05448	0.8
101.06047	3.3
101.07153	2.2
105.03411	1.0
105.07052	2.1
107.04953	2.2
109.02882	2.2
109.06536	0.9
110.10472	0.7
110.97593	2.1
111.04472	1.5
111.08090	0.7
112.99117	1.3
113.02471	1.6
113.05991	0.9
115.03936	4.4
116.98622	4.8
117.07014	0.9
119.01926	1.2
119.04914	0.8
119.24255	1.0
121.06514	1.2
123.08118	2.0
125.02354	26.1
125.06049	1.1
127.03883	1.8
128.02338	0.9
128.98650	1.5
129.05482	1.3
131.00191	2.5
131.08595	0.9
132.10208	20.5
132.95924	0.9
133.04988	3.2
134.99675	1.0
143.00229	1.4
143.03430	0.9
143.11861	0.9
144.98126	0.8
145.01701	1.0
145.06540	2.0
146.99710	1.4
147.03311	1.1
147.08034	1.0
149.01237	0.9
150.96962	1.1
155.03586	1.1
155.04604	4.1
158.99678	2.5
159.03233	1.1
159.08057	1.0
159.67918	0.8
161.02994	1.3
161.04625	2.9
168.98204	1.0
169.01794	1.1
169.13364	1.9
170.99745	1.2
173.06029	2.0
174.06854	1.3
177.00740	1.8
177.05467	0.8
182.03487	1.0
184.04910	0.8
187.02701	3.6
187.08746	2.5
187.14403	11.1
189.09172	0.8
190.98720	1.5
191.02238	1.1
191.97147	1.1
197.08168	2.6
205.08688	1.0
210.02864	1.1
212.06276	5.3
212.56503	0.9
215.13947	6.5
217.10765	1.4
219.01645	1.6
233.04613	1.6
233.08224	2.8
233.10216	5.2
233.15012	18.1
237.02898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03949	0.7
55.01868	0.4
55.05511	0.9
56.16570	0.3
56.96569	0.6
65.03941	0.7
67.05509	1.4
69.03435	3.7
69.39922	2.6
70.90823	0.4
71.05006	0.6
72.99709	0.4
79.05492	2.6
81.03407	0.7
81.07068	1.1
82.78754	0.3
83.04990	1.1
85.02916	0.6
91.05487	3.5
93.07040	2.1
95.05012	1.5
95.08613	0.7
97.02900	1.1
97.06547	2.0
98.20781	0.7
98.97586	1.2
101.00912	0.5
103.05450	0.4
105.03392	1.2
105.07037	3.5
107.04964	4.4
107.08588	1.7
109.02896	0.9
109.06543	1.1
109.10194	0.3
110.97567	0.3
111.04481	1.1
115.05445	1.5
116.98630	0.6
117.07026	1.9
119.05009	0.4
119.08584	5.6
121.06538	2.3
121.10113	0.7
123.04427	0.3
123.08110	1.7
128.06224	0.7
129.06973	2.4
130.07817	1.0
131.05040	0.4
131.08569	3.5
133.10162	0.4
133.45700	0.3
135.08063	100.0
136.08394	0.5
137.05986	1.0
139.07507	0.7
139.13432	0.3
141.07008	1.9
142.07741	0.4
143.01920	0.9
143.08528	1.7
144.09344	2.8
145.06508	2.0
145.10136	3.4
147.04437	0.4
147.08058	1.2
147.11676	0.6
149.05991	0.4
151.07576	2.4
153.06943	0.6
154.07764	1.1
155.08604	1.1
156.09373	6.3
157.06537	1.7
157.10086	0.7
158.07292	3.8
159.08081	4.5
159.11702	12.0
160.05173	0.6
160.08894	0.4
161.02954	0.9
161.09637	1.1
163.11276	0.5
169.10136	3.6
170.10928	1.1
171.08026	0.6
171.11670	2.2
172.05244	0.8
172.08839	12.1
173.06126	0.6
173.09637	21.3
174.06802	0.8
174.10381	1.0
175.07564	3.6
175.11264	0.4
187.07693	1.7
187.11198	27.4
189.09143	0.8
189.12801	1.7
191.10643	1.3
197.09616	1.9
200.08301	0.9
205.12244	1.1
215.10678	21.1
215.17883	0.4
222.08371	0.8
233.08266	2.6
233.11719	16.0
233.15451	1.4
233.18958	0.4
237.02754	0.4
245.11708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
51.02374	2.0
53.03949	10.9
54.65728	0.9
55.01865	1.5
55.05514	4.8
56.96563	3.7
57.03423	1.3
57.07076	1.6
67.05508	7.1
69.03422	2.7
69.07062	2.7
77.03914	2.2
79.05505	10.0
81.02980	1.4
81.03423	13.0
81.06598	1.1
81.07064	21.2
83.04990	1.1
91.05488	17.5
93.07047	12.6
95.04976	9.5
95.08611	11.4
97.06451	1.0
103.05432	1.8
105.03397	100.0
105.04528	4.4
105.07034	28.3
106.84143	0.9
107.08601	8.6
109.02888	17.6
109.06518	1.7
109.10183	3.3
111.04475	1.8
115.05471	3.6
116.06197	2.0
117.07035	11.4
119.04903	2.0
119.08581	11.9
121.06502	5.5
121.10154	3.8
123.04440	1.5
128.06213	9.7
129.07010	16.7
130.07756	3.2
131.08572	26.7
133.06474	4.0
133.10165	7.9
135.04440	1.4
135.08086	1.1
137.05980	3.2
141.07007	3.8
142.07771	9.2
143.08560	35.9
144.09335	1.9
145.06468	2.2
145.09064	1.9
145.10130	24.3
146.10858	3.0
147.08060	3.6
147.11690	2.5
149.06000	1.4
151.07585	5.3
155.08566	5.0
156.09322	4.7
157.06488	3.2
157.10130	21.5
159.08035	2.9
159.11707	15.5
161.06007	2.6
161.09605	4.6
161.13245	2.1
163.07558	1.5
165.07004	4.5
167.08524	2.1
167.20935	1.2
169.10210	1.3
170.10904	5.3
170.52878	1.0
171.08069	8.2
171.11736	6.4
173.09625	6.8
175.07570	15.6
175.11195	3.8
180.09305	3.1
183.11685	2.8
185.09688	3.5
185.13268	62.2
187.14862	2.0
189.09155	7.2
189.12697	6.0
195.11748	6.7
198.10371	1.5
203.07031	1.9
203.10699	8.2
203.14345	9.5
213.12729	17.0
230.11229	1.2
231.06488	4.3
231.10097	2.9
231.13809	69.1
231.17422	1.9
231.25156	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03947	1.2
54.78469	0.3
55.01867	0.5
55.05513	12.1
56.05029	0.5
56.96563	2.0
57.03442	0.4
57.05822	1.0
57.07074	0.5
57.92762	0.3
59.05004	1.0
59.55707	0.3
61.02929	0.7
63.17558	0.4
67.05514	0.6
69.03430	3.6
69.07076	0.6
71.05000	0.9
72.08157	100.0
73.02925	0.7
79.05501	1.2
81.03423	1.6
81.07055	5.2
83.04997	0.6
83.08665	0.4
84.08155	0.4
85.02911	2.9
85.06556	0.6
86.09708	5.9
87.04472	0.7
91.05486	0.5
93.07050	0.8
95.04990	0.5
97.02894	3.2
98.97598	4.0
99.04446	1.0
99.08118	0.8
105.03414	0.4
107.04939	0.9
107.08567	0.4
109.02888	1.0
109.06542	1.2
110.97553	0.7
111.04459	0.4
112.97861	0.4
112.99136	1.9
115.03961	0.4
115.07722	0.3
116.98634	1.8
121.02831	0.4
124.99169	0.4
127.03889	2.2
127.07579	1.3
128.98656	1.4
131.00195	1.4
132.10196	3.9
132.95868	0.6
134.99672	0.5
137.05910	0.3
139.58611	0.4
143.00174	0.4
145.01735	0.4
145.04962	0.8
145.08612	0.5
146.99623	0.6
149.01237	1.0
157.06386	0.4
158.99673	1.1
159.04976	0.4
161.01181	0.4
168.05453	3.7
173.01242	0.5
176.03448	0.5
177.00690	0.8
177.05890	0.5
185.03029	0.5
185.06053	0.6
185.16571	1.0
189.00821	0.5
189.04430	0.4
198.72781	0.4
199.02603	0.4
203.07072	0.4
207.01944	0.4
210.06577	0.6
213.05896	0.7
231.03069	0.7
231.06606	2.6
231.08733	0.7
231.13913	0.8
231.17027	5.2
231.18837	0.4
231.57349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1697
Annotation	Metazocine
Peak:m/z	Relative Intensity
51.01275	0.4
53.63531	0.4
53.77732	0.5
54.50148	0.5
55.01863	1.3
55.05504	1.4
56.96571	0.9
67.05178	0.8
67.05508	10.2
69.03416	0.8
69.07075	7.3
70.06561	0.5
71.04995	0.7
71.54357	0.6
79.05497	2.0
79.63566	0.5
79.75814	0.5
80.05838	0.5
81.07059	4.7
83.04972	0.8
83.08601	0.6
85.02907	1.9
87.28444	0.4
91.05505	4.0
93.07043	5.0
94.06527	1.1
95.05001	2.1
95.07318	0.7
95.08614	4.9
96.08142	4.8
97.02856	0.5
97.06551	0.5
98.19194	0.5
98.97577	1.1
101.17626	0.5
102.12867	0.6
105.07031	2.2
107.04945	1.6
107.08608	5.6
107.74679	0.4
108.08113	1.1
109.06516	1.9
109.10171	7.1
110.87539	0.5
115.05511	0.6
117.07014	0.8
119.04889	0.5
119.08591	3.8
121.02843	0.6
121.06503	1.7
121.10143	3.1
122.06029	10.4
122.07300	1.6
122.09673	5.0
123.04412	0.9
123.08051	0.8
129.05431	0.7
131.04915	0.7
131.08589	2.2
133.10147	3.2
134.09657	3.5
135.08072	2.6
135.11674	1.5
136.11130	0.9
136.12064	1.2
137.09627	28.3
143.08461	0.4
145.10112	2.6
147.04457	2.7
147.11699	8.4
149.09607	0.7
149.13261	4.1
154.13055	1.3
158.10921	0.5
163.11163	1.7
163.14761	0.6
173.09641	1.9
173.13248	3.4
176.10707	2.3
186.14922	0.9
190.15926	7.2
191.14319	8.2
196.14131	0.6
200.05144	1.5
204.17569	0.5
209.05641	1.2
214.16156	0.4
217.14563	0.6
232.16982	100.0
233.17401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02380	1.3
53.03949	8.3
55.01867	0.3
55.05505	0.4
55.22967	0.2
56.25526	0.2
56.59411	0.2
56.96559	0.5
57.56407	0.2
67.05501	0.8
68.51537	0.2
69.07067	1.0
71.56853	0.3
77.03924	2.1
79.05505	0.4
81.03421	9.2
81.07052	0.6
91.05495	0.9
93.07048	0.8
93.65903	0.2
95.04977	6.4
95.08605	2.0
105.03394	100.0
105.04535	3.7
105.07001	1.7
106.03735	0.5
107.04945	0.3
107.08594	1.3
109.02884	15.1
109.06519	0.3
109.10158	1.0
111.08146	0.3
117.07052	0.4
119.08571	1.3
121.10146	0.8
123.04426	0.3
123.08092	0.2
123.11678	0.3
128.06218	0.5
129.07005	0.6
131.08592	1.1
133.06473	0.2
133.10126	3.0
135.08040	0.3
135.11694	0.4
137.09642	0.3
141.07004	0.3
142.07881	0.2
143.08577	0.7
145.10165	1.1
145.26079	0.2
147.07996	0.3
147.11682	0.9
156.09288	0.2
157.06512	0.4
157.10098	1.8
158.10899	0.3
159.11732	0.5
161.09642	0.4
161.13264	0.4
167.00197	0.3
170.10991	0.3
171.11742	0.9
173.13258	3.0
175.11220	0.7
185.01369	0.2
185.06087	0.2
185.13292	0.6
187.14822	0.5
189.16412	0.9
203.06918	0.2
213.16371	1.7
231.06529	0.6
231.10393	0.5
231.13766	0.6
231.17424	4.3
241.57066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
51.02380	1.6
53.03950	8.1
55.01868	0.3
55.76487	0.2
57.50224	0.1
62.86345	0.1
64.63541	0.1
69.29840	1.5
70.52776	0.2
77.03926	2.2
81.03422	9.2
95.04972	6.9
98.21616	0.3
105.03395	100.0
105.04532	4.1
106.03734	0.5
109.02883	15.1
118.06533	0.2
158.20059	0.1
167.04839	0.2
208.49168	0.2
236.84427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0653
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
50.01609	0.2
51.02380	0.3
53.03949	1.6
53.75135	0.2
55.01878	0.4
55.05510	0.4
56.96586	0.3
57.07074	0.6
59.04999	0.8
67.01865	1.6
67.05517	0.3
68.99786	1.1
69.03075	0.3
69.03430	3.6
71.04993	0.5
71.56658	0.2
73.22875	0.2
77.03943	0.4
79.05490	0.4
80.98980	0.2
81.03418	1.6
81.07053	0.4
83.01373	0.4
83.04990	0.3
85.02911	1.3
85.06535	0.4
87.04474	0.7
91.05484	0.5
92.88371	0.2
93.07059	0.5
95.04974	2.4
95.08611	0.4
97.02897	2.0
98.97594	0.5
99.04450	0.3
105.03397	28.9
105.07029	0.8
105.95648	0.2
107.04944	0.3
107.08596	0.2
109.02890	0.6
111.00780	0.2
115.05472	0.2
116.98621	0.2
117.07021	0.3
119.08576	0.3
121.02822	0.3
121.10162	0.2
123.91664	0.2
125.69568	0.2
127.03944	1.7
128.06226	0.3
129.07030	0.3
131.08583	0.4
133.06522	0.2
133.10045	0.2
135.07982	0.2
135.11685	0.2
141.06998	0.3
142.07861	0.2
143.08562	0.4
145.10135	0.2
153.01836	100.0
154.02214	0.5
157.10219	0.3
159.08035	0.2
159.11818	0.3
161.09613	0.2
170.07327	0.2
171.02910	0.7
171.07942	0.3
171.11678	0.2
173.09589	0.3
175.07498	0.2
175.11101	0.2
185.13316	0.2
195.11765	0.3
203.10773	0.2
210.06717	0.2
213.05409	0.3
213.12804	0.5
231.06529	32.1
231.10313	0.8
231.13678	1.1
231.15674	0.3
238.85542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
56.96568	29.6
57.03442	0.8
58.06608	0.9
58.96119	0.4
60.08158	1.1
60.95825	0.4
61.02922	1.4
61.08505	0.4
69.03436	0.9
69.69848	1.7
70.06593	5.9
70.98121	1.9
71.05005	1.6
71.06926	2.3
71.95263	3.5
72.96046	1.5
73.02902	1.0
74.97610	0.7
81.03409	0.6
83.00797	0.4
83.04961	0.3
83.97642	1.4
84.08164	0.6
84.61093	0.3
84.96028	1.9
85.02912	1.8
86.03586	0.4
86.09721	3.0
88.99184	0.5
97.02898	1.3
98.20850	0.6
98.97588	100.0
99.04444	0.8
100.00046	0.4
101.00908	0.9
102.00957	1.5
102.02219	0.5
107.04986	0.4
110.01287	0.4
110.97568	1.5
111.02039	0.4
112.07666	0.4
112.99104	0.5
113.00904	0.3
114.05541	0.4
114.06661	1.8
115.00719	0.4
116.00222	1.6
116.98627	42.6
117.99004	0.3
119.01897	2.0
120.02006	3.0
121.01585	0.4
124.45686	0.3
124.99133	0.6
125.07912	0.6
126.02309	1.0
127.00715	0.5
127.03922	1.0
128.02393	0.5
128.98596	1.9
131.00175	0.8
131.01939	0.4
132.02011	0.6
134.01321	1.6
134.99667	11.8
140.00195	1.3
140.03839	1.8
140.98640	0.4
142.01749	0.3
142.05386	1.8
142.08632	3.0
142.96541	0.4
143.00221	0.8
143.01846	0.4
143.08989	4.4
145.99919	0.4
146.99632	1.6
148.03859	0.5
148.54048	0.4
153.00745	0.6
153.02284	0.4
158.04980	2.0
158.06039	0.3
158.99716	1.1
160.06442	3.1
160.97673	0.4
161.01256	0.5
161.03026	0.4
163.03941	0.6
165.00682	0.5
168.51971	0.6
169.99895	0.5
170.04868	1.1
170.96111	0.4
171.03271	2.7
171.04610	0.3
171.05037	0.3
174.99184	1.0
177.00798	0.5
178.07480	0.4
179.61618	0.4
181.16502	0.4
181.57269	0.3
184.03120	0.7
184.10825	1.5
187.00903	0.5
188.01128	1.1
188.05963	2.5
188.97047	1.0
189.00748	1.4
189.02559	0.4
189.04349	9.1
190.53377	0.4
193.00230	0.6
198.00771	1.0
202.07545	0.8
206.07021	8.6
206.98055	0.9
207.01758	1.1
207.05402	4.6
211.98595	0.5
212.04143	0.4
212.05930	0.6
216.00539	1.1
219.01620	0.6
220.56323	0.4
224.08066	6.7
229.56720	0.6
230.03624	0.5
230.07028	15.5
230.11458	4.5
230.15820	27.2
231.05380	1.9
248.08083	20.8
248.99147	0.4
249.06340	0.8
249.08574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03949	1.6
55.05513	14.2
56.96561	2.7
57.03440	3.0
57.07074	4.5
59.04982	2.2
63.31955	1.1
65.25797	1.2
67.05511	20.5
69.03424	1.4
69.07070	15.3
69.17992	1.2
69.62478	5.3
69.62898	2.1
70.06583	1.5
71.04990	5.1
73.06596	1.2
79.05502	6.8
81.03429	1.6
81.07056	24.1
82.84232	1.3
83.04993	1.6
83.08622	12.3
85.06541	4.2
90.10722	1.1
91.05484	5.3
93.07044	11.7
95.08608	78.7
96.45246	1.1
97.06536	3.3
97.10165	5.7
98.20773	1.2
98.97576	5.8
99.08087	1.9
101.06037	3.6
105.07024	5.5
107.08598	14.2
109.06577	1.8
109.10158	32.8
111.08094	2.1
115.07567	5.1
115.60597	1.1
119.08600	10.0
121.10121	10.2
121.79742	1.2
123.08067	3.0
123.11710	7.5
125.09644	3.3
133.10138	9.5
135.11688	14.1
137.09637	6.4
137.13260	3.2
137.85646	1.1
139.11205	3.6
147.11719	3.9
147.41081	1.2
149.13271	6.1
151.11232	1.4
153.12703	1.1
155.10638	1.5
158.99702	2.4
163.14832	19.4
165.16377	3.9
175.14815	16.9
181.15854	21.3
193.15901	27.4
200.00159	1.1
208.10542	1.9
211.16928	100.0
229.05051	2.1
229.08638	1.5
229.12427	1.5
229.14247	2.6
229.17920	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01863	0.5
56.96567	3.1
57.03426	0.6
58.06600	5.1
59.07370	1.0
60.08168	6.6
61.02909	1.0
65.03937	0.3
68.05017	1.0
69.03425	0.6
70.06595	29.8
70.53075	0.9
70.98106	0.5
72.08154	0.5
73.02902	0.8
79.66673	0.3
81.03418	0.5
82.41670	0.3
85.02899	1.5
91.05476	1.0
92.96503	0.2
96.08160	1.5
97.02879	1.1
98.06030	1.0
98.97588	8.0
101.00871	2.0
110.01292	0.4
110.97560	1.0
114.05546	3.6
114.09170	1.7
116.07096	0.7
116.98631	1.4
119.01892	3.3
119.04937	1.1
124.07610	2.9
124.99121	0.4
126.09148	0.4
127.03893	0.3
128.02328	1.4
128.98610	0.7
131.01964	0.4
135.03114	0.3
137.02869	1.1
137.06023	1.4
139.01547	0.4
141.01245	0.4
142.08635	28.3
143.00133	0.6
146.99606	0.5
147.04416	1.4
148.02007	0.6
148.03857	1.0
157.02563	0.5
158.99704	1.8
168.01770	0.6
168.99881	0.4
169.02583	0.8
170.05008	0.5
170.08144	1.7
170.99727	0.5
173.02863	0.3
175.02640	0.3
175.04539	0.3
177.00714	0.7
177.02289	0.5
179.07112	0.4
181.02509	0.4
183.02339	0.7
184.03180	0.5
186.99260	0.4
187.00917	1.0
187.02675	0.4
187.04498	0.3
189.00706	0.3
190.03156	0.4
192.02794	0.4
206.06953	0.5
208.04977	1.3
208.55022	0.4
211.03770	0.3
213.03442	0.3
215.00381	0.9
217.05504	1.6
217.07372	0.3
219.01866	0.7
219.57201	0.4
220.04158	0.8
229.15477	100.0
230.15811	0.7
236.74448	0.3
237.02745	0.7
248.08116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
56.96572	1.6
57.03445	1.7
58.06603	5.1
59.07379	1.1
60.07891	0.4
60.08169	5.9
61.02931	2.6
65.07703	0.3
68.05018	0.9
69.03070	0.2
69.03424	1.2
69.53947	1.8
70.06597	30.6
70.98109	0.5
70.99879	0.3
72.08150	0.4
73.02930	1.4
79.40176	0.3
81.03416	0.4
81.04527	0.3
82.99841	0.5
84.04470	0.3
84.96023	0.4
85.02900	2.2
96.08127	1.0
97.02884	1.0
98.06066	0.7
98.97588	4.0
101.00884	5.6
101.02477	0.3
109.00487	0.3
109.02858	0.4
110.01292	0.7
110.97588	0.6
112.99103	0.3
113.00877	0.4
114.05534	3.1
114.09207	1.5
114.09944	0.3
115.02447	0.4
116.07106	0.5
116.98637	0.6
117.01977	0.3
118.01082	0.5
119.01917	7.9
124.07602	3.3
124.99132	0.5
125.01848	0.4
126.02531	0.3
126.09145	0.8
126.98759	0.3
127.03919	0.6
128.02333	2.0
128.98607	1.1
131.01874	1.1
133.01596	0.3
133.03442	1.1
135.03079	0.6
137.02911	1.5
139.04152	0.3
140.98628	0.3
141.01299	0.4
141.03120	0.5
142.08643	28.7
143.01872	0.5
145.03448	0.5
146.02312	0.4
146.99615	0.6
148.02098	0.5
148.03859	1.2
153.01247	0.4
157.04501	0.6
158.99664	0.8
160.02164	0.3
161.02943	0.7
162.01781	0.7
168.99834	1.6
169.02542	0.7
170.08150	1.5
170.99707	0.5
173.02992	0.4
174.01849	0.4
174.99162	0.3
175.02972	0.2
175.04549	0.9
177.00845	0.4
177.02332	0.5
181.02643	0.3
182.03342	0.3
183.02310	0.8
184.03081	0.7
186.99312	0.4
187.00919	2.6
189.00705	0.6
190.03088	0.4
191.03952	0.3
192.02898	0.6
196.99384	0.5
197.01082	0.4
200.53859	0.3
203.03999	0.3
204.02983	0.6
205.00252	0.4
205.02077	0.4
207.01804	0.3
213.03394	0.8
215.00398	1.9
219.01776	0.3
220.04100	0.7
220.06024	0.5
229.15489	100.0
230.15784	0.9
237.02663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55383	1.7
53.03924	8.9
53.54273	1.8
55.01875	3.4
55.05261	2.4
55.05511	17.7
56.96558	8.0
57.03447	11.9
57.07080	36.0
58.44456	1.8
59.04996	5.2
65.03937	2.0
67.05511	62.7
68.99757	2.1
69.03442	33.8
69.07076	22.4
69.69531	9.0
70.06604	1.9
71.05002	10.6
72.46025	1.6
79.05515	12.2
81.03427	55.3
81.07065	33.8
83.04993	3.1
83.08614	16.9
85.02901	6.5
85.06557	19.0
91.05499	10.9
93.07048	19.4
95.04974	6.2
95.08617	77.5
97.02905	13.7
97.06529	3.9
97.10154	4.5
98.20820	2.2
98.97601	14.6
99.00821	4.5
99.04469	7.2
99.08097	4.0
101.06017	3.1
102.96906	4.4
105.07019	10.9
107.04973	10.2
107.08596	18.7
109.02888	21.6
109.06554	2.8
109.10169	80.6
111.08087	6.0
115.07564	4.9
116.98633	5.2
117.07036	1.7
119.04910	3.7
119.08585	14.5
121.10182	12.1
123.08100	4.8
123.11721	10.2
125.09640	31.2
127.03946	5.0
127.11183	2.2
129.07092	2.5
131.08546	4.5
133.10153	13.5
135.04431	7.0
135.11723	17.2
137.09637	9.1
137.13287	3.0
139.11217	3.9
145.10107	2.3
147.11731	4.3
149.13258	6.4
151.11186	2.7
155.08528	4.4
155.10649	3.8
157.10219	2.6
158.99657	6.6
162.98958	1.8
163.14824	12.6
165.06958	2.8
165.16429	4.2
167.07060	2.3
167.08466	1.9
173.11801	9.7
173.13142	2.7
175.14827	22.0
177.00696	3.9
181.15865	18.3
183.08044	2.4
183.11772	2.3
193.15875	23.7
197.07542	2.7
200.04727	3.1
201.09167	3.2
201.12820	2.9
208.08675	2.3
211.16948	100.0
229.05009	6.4
229.08623	24.0
229.10739	18.0
229.14178	16.1
229.16287	2.5
229.19600	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	229.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01857	1.4
55.05501	0.8
56.96301	0.7
56.96565	10.4
57.03435	6.1
58.06596	5.3
58.99855	0.8
59.07379	1.0
60.08163	5.8
60.22631	0.4
61.02927	11.4
67.05495	0.4
68.05025	1.1
69.03426	4.7
70.06591	31.0
70.35085	1.5
70.98124	2.6
70.98438	0.4
70.99837	1.6
71.01360	0.5
71.04987	0.9
71.95256	0.5
72.08168	1.1
73.02918	7.8
75.04482	0.4
81.03408	1.6
82.99841	3.4
83.00759	0.8
83.04960	0.9
84.08128	0.7
84.96024	1.5
85.01407	0.9
85.02905	8.9
85.20380	0.4
86.09692	0.5
86.99326	0.5
87.04458	0.8
88.99138	1.3
89.00789	1.7
90.01539	0.9
91.03932	0.6
91.05464	0.6
95.03441	0.4
96.01547	1.2
96.08125	1.3
97.01369	0.5
97.02297	0.4
97.02886	6.5
98.01288	1.0
98.03266	0.4
98.06054	0.4
98.96931	0.9
98.97584	16.8
99.04432	1.0
99.97905	0.4
100.02422	0.3
100.99145	0.7
101.00877	28.7
101.02451	1.1
102.00919	0.4
102.97006	0.5
103.00609	0.9
103.02399	1.5
104.01259	1.2
105.02064	0.5
106.01028	0.5
108.01583	0.4
109.00471	0.5
109.02900	0.9
110.01283	2.0
110.97563	4.2
112.99108	1.4
113.00878	2.2
113.01579	0.5
113.02397	0.8
114.02549	0.5
114.05543	4.0
114.09167	1.8
115.02439	2.1
115.70144	0.4
116.07090	1.5
116.98624	5.2
117.01918	1.4
118.01031	1.0
119.01907	45.7
120.02006	1.1
121.01579	0.9
121.02856	1.1
123.00217	0.5
124.01018	1.1
124.02508	0.9
124.07595	4.1
124.95463	1.4
124.99111	0.8
126.00748	0.5
126.02560	0.9
126.98818	2.0
127.02380	0.7
127.03894	2.9
128.02315	7.9
128.98596	4.2
130.00975	0.7
131.00148	1.2
131.01872	4.6
132.00764	1.9
133.01642	1.3
133.03452	6.6
133.04387	0.6
134.02258	0.4
134.99678	1.1
135.03076	3.0
135.03932	0.5
137.01837	0.6
137.02914	6.5
137.05948	0.8
139.01498	1.7
139.02441	0.6
139.04230	1.0
139.53146	0.4
140.02238	0.7
140.98578	0.8
141.01245	1.0
141.03079	1.1
141.04005	0.9
141.53259	0.6
142.03522	1.3
142.08633	30.1
142.96497	0.8
143.00160	1.6
143.01891	3.1
144.98051	0.5
144.99808	3.3
145.01555	0.9
145.03436	1.6
145.04938	0.8
145.99977	0.6
146.91870	1.1
146.99663	2.8
147.01350	1.9
147.03168	0.9
148.02029	2.2
148.03796	3.7
148.04617	0.5
149.01222	0.7
149.02895	1.1
150.01746	0.5
151.04619	0.9
153.01270	1.4
154.02057	0.9
155.00064	0.5
155.02835	1.5
155.08125	0.7
156.03391	0.9
156.98117	0.8
157.02458	0.7
157.03529	1.8
158.99635	2.8
159.01254	0.8
160.02042	1.5
161.01199	0.8
161.02924	3.5
162.01778	2.5
162.03586	0.5
162.95984	0.4
163.02597	1.2
163.04436	0.6
165.00755	0.8
166.02002	0.5
168.01785	3.2
168.03166	0.7
168.51981	0.5
168.99828	9.2
169.02364	2.7
169.03725	1.1
170.08098	1.4
170.99625	2.4
171.02388	0.4
172.97729	0.8
172.99295	1.6
173.01149	0.8
173.02916	2.0
173.99437	1.0
174.01784	1.3
174.99147	1.5
175.00568	0.4
175.02649	1.5
175.04530	6.7
176.03253	0.6
177.00728	1.0
177.02362	2.9
177.03745	0.4
178.03055	1.1
179.03929	0.5
181.02496	0.7
182.03345	0.7
182.99701	0.7
183.02336	3.8
183.05029	0.5
183.07657	1.9
184.03098	3.9
184.97609	0.8
185.06506	0.4
186.02922	0.5
186.04425	0.7
186.99226	1.0
187.00880	14.9
187.02611	0.9
187.04491	3.6
188.96974	0.7
189.00674	2.6
189.02281	0.8
190.03114	1.5
190.98656	0.4
191.02209	1.0
191.03969	1.3
192.02844	2.6
193.00201	1.1
193.04007	0.4
196.51680	0.4
196.54512	0.4
196.99300	3.1
197.01125	2.8
198.02808	0.7
199.03714	1.2
201.00690	1.2
201.02446	1.0
202.98634	0.8
203.03964	0.6
204.02803	2.1
205.00160	1.2
205.01964	2.8
205.03804	0.9
205.05762	1.0
207.01706	0.8
208.04907	0.8
210.02519	0.7
211.04039	0.5
213.03395	2.4
213.05190	0.8
214.98875	0.5
215.00375	13.9
215.02148	0.8
217.00180	0.9
217.05461	1.1
219.01717	2.6
220.02278	0.6
220.03946	2.2
220.06000	1.2
221.05122	0.9
223.01149	0.8
229.01801	0.8
229.03654	0.9
229.06172	0.9
229.08226	1.6
229.15466	100.0
230.98044	0.9
233.01413	0.8
237.02780	2.6
244.99692	0.7
247.01041	0.6
247.06747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
53.50887	1.5
55.01871	5.1
55.05498	6.3
55.18185	1.3
56.05846	2.6
56.96558	5.1
57.03437	6.3
57.07079	7.5
57.21312	1.4
58.07402	3.0
58.58085	1.5
64.37965	1.2
67.05508	26.9
68.05837	18.7
69.03413	3.5
69.07053	6.0
70.06602	2.0
70.07389	2.6
71.04994	19.9
71.38491	2.9
72.05325	6.5
72.32157	1.4
72.93784	2.8
73.53557	1.4
79.05499	23.8
80.05836	15.7
81.03408	6.9
81.07044	5.1
82.07384	5.5
83.04990	8.0
84.05304	5.3
85.02898	3.7
85.06548	99.3
86.06877	69.8
91.05486	15.2
92.05798	11.1
93.07043	18.9
94.07378	20.1
95.04965	5.6
95.08562	2.9
96.05292	4.4
96.08922	2.2
97.02892	3.0
97.06508	3.2
98.06849	3.6
98.97601	18.3
99.08092	3.6
100.08444	3.0
100.11251	2.7
101.92118	1.6
103.05492	2.3
105.07040	23.1
106.07364	16.6
107.04955	7.5
107.08613	16.4
108.05302	8.3
108.08936	24.9
109.06528	4.5
110.06843	4.3
110.97578	2.6
111.04441	12.5
112.04780	11.0
112.65554	1.4
113.96410	4.8
116.98640	4.6
117.06995	3.8
118.07351	7.0
119.04880	1.7
119.08586	6.9
120.08923	18.6
121.06517	8.1
121.10130	10.5
122.06848	13.8
122.10480	25.6
123.04426	1.6
124.08410	2.6
125.06016	4.0
126.06331	5.3
126.10027	2.0
127.03912	1.6
128.98553	2.2
130.07330	7.7
131.08606	19.1
131.97462	2.2
132.08904	80.2
133.10124	1.7
134.10464	1.8
135.08034	1.6
135.11775	1.9
136.08389	4.6
136.12047	8.9
137.09639	4.2
138.06326	2.3
138.09961	6.4
143.07007	1.8
145.10170	5.3
146.06758	1.6
146.10471	40.5
146.99596	1.9
147.04390	4.5
147.08002	2.0
147.11702	2.0
148.08388	7.6
149.09636	17.5
150.06316	3.1
150.09964	76.1
154.05847	3.6
156.07359	2.1
158.99663	6.1
162.04425	7.3
163.11177	3.3
164.07874	2.7
164.11542	34.5
165.09103	2.7
166.09476	13.8
167.10698	6.8
168.07356	4.6
168.11031	41.7
170.08873	2.0
171.04933	9.7
174.09949	12.6
177.00630	3.4
179.03816	1.9
180.11014	3.6
192.11018	100.0
198.12175	2.1
210.12082	96.9
214.92757	1.4
228.08362	2.6
228.13148	53.2
228.23221	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	228.069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
58.99577	1.3
61.53817	0.2
70.81713	0.5
72.41508	0.2
74.57597	0.2
76.01832	0.4
76.02229	4.8
77.03939	0.4
79.05061	0.3
79.05495	4.4
81.03435	0.3
86.99056	1.6
95.04964	1.1
103.08041	0.2
105.00095	2.8
105.03358	0.3
105.04526	0.5
107.04958	100.0
108.05265	0.4
122.02731	26.0
126.10087	0.3
182.05336	0.7
210.04836	0.3
211.04239	1.2
228.06915	0.9
228.23227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.16376	3.0
53.03948	4.2
55.01882	4.6
55.05524	21.9
57.03434	11.2
57.07067	8.3
59.05009	5.6
65.03944	4.7
67.05498	20.5
69.03432	14.3
69.07070	30.1
69.21757	3.0
70.58864	7.8
71.04993	25.7
73.02914	10.4
79.05494	29.2
80.16985	3.3
81.07058	40.7
81.60539	3.1
83.04986	71.2
83.08624	12.8
85.02912	5.1
85.06549	34.6
87.04446	5.1
91.05470	20.1
93.07048	59.5
95.04964	100.0
95.08599	43.8
97.06523	25.2
98.97599	7.5
99.04465	18.8
99.08096	40.6
100.11250	7.9
101.00921	3.6
103.05485	3.9
105.03370	6.6
105.07037	29.7
107.04965	7.4
107.08599	75.2
109.06509	30.6
109.10142	29.1
111.04444	9.2
111.08093	14.1
113.09690	4.2
115.07555	7.1
117.07014	5.9
119.08584	27.7
121.06509	13.2
121.10150	70.0
123.04433	6.9
123.08028	17.7
123.11725	32.5
125.06023	6.0
125.09619	30.9
127.07565	16.6
127.11187	6.2
131.08565	26.4
133.10114	47.4
135.08038	20.0
135.11720	15.6
137.09647	9.8
139.07494	5.3
139.11209	16.5
140.04697	10.5
143.01871	11.3
143.08516	5.3
143.10680	3.9
145.01749	3.4
145.10155	13.8
147.11694	16.3
149.09637	51.7
149.13254	34.9
151.11182	28.4
153.09108	53.6
155.07014	19.6
161.02951	6.7
161.13272	4.4
163.11198	9.8
163.14857	13.3
165.12727	5.3
167.07008	6.8
167.10670	40.3
171.10152	16.9
173.13281	34.6
176.86406	3.0
179.14209	5.7
181.04988	25.3
191.10681	14.4
191.14323	37.9
195.06548	12.2
203.03952	3.7
209.08080	10.2
209.11784	14.1
209.15334	54.2
227.08998	5.7
227.12801	7.6
227.16393	71.3
241.43550	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03947	1.9
55.05516	5.7
56.74772	1.0
57.03429	1.5
57.07063	3.1
59.05001	2.2
67.05504	5.6
68.99325	0.9
69.03432	3.6
69.07075	13.5
69.58912	5.4
71.04994	3.2
77.03925	1.2
79.05496	9.7
81.03409	1.3
81.07063	25.7
83.04986	3.0
83.08609	2.2
85.06526	2.7
85.77569	0.9
87.04481	10.4
91.05495	6.6
93.07049	36.9
95.04978	12.1
95.08614	8.1
97.06509	3.3
99.04455	1.7
99.08079	4.0
105.03384	5.6
105.07035	13.1
107.05000	1.7
107.08584	7.9
109.06523	3.7
109.10181	3.1
111.08086	1.3
111.11723	3.7
119.08593	5.6
121.06574	1.9
121.10153	64.2
122.78722	1.2
123.08076	4.8
123.11718	52.9
125.09644	4.1
127.07570	2.9
131.08611	2.0
133.10136	7.0
137.09630	3.0
139.11163	5.4
145.10164	1.4
147.11688	8.8
149.09628	29.9
149.13248	3.2
151.11198	28.4
153.09111	5.3
161.36426	0.8
163.14862	1.6
165.12753	4.2
167.10689	100.0
171.10187	1.9
173.13289	3.0
191.14293	4.4
209.15318	5.4
227.16411	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03926	1.6
55.01857	2.8
55.05515	17.2
56.96560	2.2
57.03425	3.4
57.07058	1.7
61.02930	8.5
65.03932	1.4
66.17995	0.8
67.05241	0.8
67.05507	8.6
69.03436	11.3
69.07066	7.0
69.81342	2.3
69.81737	1.8
71.04993	4.9
73.02916	4.1
79.05499	8.0
81.03421	6.2
81.07063	14.4
83.04970	2.9
83.08631	9.3
85.02895	1.3
85.06545	23.1
86.09710	1.9
91.05486	10.6
93.06491	1.1
93.07047	18.4
95.04973	14.1
95.08614	11.1
97.02894	1.8
97.06532	5.8
97.10165	0.9
98.20876	1.0
98.97580	2.7
99.04449	2.9
99.08060	3.2
100.11261	100.0
103.05453	2.8
105.07040	17.9
106.04166	1.1
107.04949	2.6
107.08604	27.4
109.06522	7.5
109.10156	7.8
110.97554	1.6
111.04460	1.3
111.08066	2.4
113.06046	1.5
113.09651	1.4
115.03934	1.4
117.07019	1.9
119.08582	14.6
121.06522	7.7
121.10149	17.4
123.04430	5.2
123.08074	4.7
123.11704	2.1
125.05956	2.1
125.09619	2.7
127.03884	3.0
127.07584	1.3
131.04906	1.7
131.08588	17.6
133.06512	1.4
133.09120	1.4
133.10135	26.3
135.08038	4.7
135.11703	5.1
137.05977	2.8
137.09619	4.1
139.03865	2.1
139.07564	1.4
139.08636	1.4
139.11198	1.6
140.04694	5.0
143.08580	0.9
145.10143	7.6
147.08028	1.6
147.11702	10.9
148.05190	1.4
148.61539	0.8
149.05998	4.4
149.09622	17.3
149.13269	11.7
151.03912	1.5
151.07558	2.2
151.11172	2.9
153.01894	1.1
153.05473	1.5
153.09149	4.8
155.07001	6.1
158.10936	1.9
161.05919	1.0
161.13309	5.7
163.03983	1.3
163.11154	4.4
163.14816	7.5
165.09117	1.3
165.12743	1.0
167.07050	33.8
167.10690	13.2
171.10130	1.6
173.09618	1.3
173.13272	20.7
174.02502	1.3
174.52692	0.9
177.05482	10.5
179.14275	1.0
181.04980	10.0
183.03058	1.4
191.06934	1.0
191.10741	5.6
191.14313	23.2
194.05730	1.0
197.01273	1.2
208.77376	0.9
209.04480	2.7
209.08089	8.3
209.11760	3.9
209.15118	39.8
227.05292	1.6
227.07265	1.0
227.09111	3.8
227.12784	2.7
227.17824	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01865	1.1
55.05510	4.0
56.02671	0.6
56.96562	2.1
57.03446	0.8
57.07074	1.5
58.47227	0.6
65.03946	0.8
67.05509	21.6
69.03454	0.8
69.07079	3.5
70.05592	1.8
71.04996	100.0
72.97708	0.5
73.02943	0.7
79.05492	9.8
81.03408	0.7
81.07061	29.4
83.04989	2.1
83.08624	3.4
83.41570	0.5
85.06546	4.8
88.70675	0.6
91.05481	5.6
93.07051	15.7
95.04951	1.4
95.08613	14.5
97.06524	3.6
97.10206	1.2
98.97559	1.4
99.04470	0.6
99.08104	1.3
100.11269	3.7
101.06013	0.5
105.07053	2.7
107.04988	0.9
107.08604	7.1
109.06548	1.4
109.10145	2.4
111.08122	2.5
113.06053	1.1
117.07030	4.1
117.53180	0.5
119.08614	1.1
121.06557	1.5
121.10140	2.6
123.08119	1.0
123.11673	0.6
125.09637	1.9
125.93548	0.5
129.07042	0.9
131.04884	0.6
131.08580	4.2
133.10152	4.8
135.08087	1.4
135.11690	10.7
137.09702	0.5
140.04701	1.0
145.10165	0.7
149.09683	1.6
149.13272	6.4
150.94855	0.6
155.07071	1.0
157.10147	0.7
159.11688	7.6
163.11240	0.8
167.07094	2.1
167.10666	0.6
171.11705	0.5
177.02312	0.6
177.12743	3.6
181.04996	1.0
186.22212	1.2
191.10684	1.2
195.13872	1.9
200.54076	0.5
209.11615	0.6
209.15305	2.5
227.10706	1.0
227.12613	3.1
227.17877	1.8
237.30544	0.5
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	MKN-003C
Peak:m/z	Relative Intensity
53.03936	1.4
55.01876	1.0
55.05512	4.9
56.02652	1.4
56.02918	0.5
56.96568	3.2
57.03432	0.7
57.07084	1.2
58.97894	0.4
65.03951	0.4
65.12197	0.4
65.44806	0.5
67.05506	20.3
68.09146	0.4
69.03437	0.6
69.07062	4.0
71.04994	100.0
71.56648	0.6
72.05318	0.5
73.02914	0.6
74.61672	0.5
76.64983	0.5
79.05493	9.7
81.07059	28.6
83.04971	2.2
83.08624	3.3
85.02936	0.6
85.06541	3.3
91.05480	5.4
93.07047	13.9
95.04984	1.9
95.08609	16.0
97.06522	4.1
97.10175	1.3
98.97573	0.7
99.04486	0.8
99.08124	1.1
100.11280	3.9
105.07040	3.2
107.04922	0.6
107.08611	8.1
109.06539	1.9
109.10152	3.1
111.04503	0.8
111.08101	2.2
113.06026	0.9
117.07014	4.7
119.08600	1.7
121.06545	1.4
121.10171	2.9
123.08099	0.6
123.11788	0.6
123.21951	0.4
125.09625	1.4
127.07539	0.6
129.07069	0.6
131.08572	6.1
133.10136	5.1
135.08087	1.3
135.11697	10.4
139.07597	0.5
140.04742	0.6
143.08577	1.3
145.10144	1.3
147.11659	0.6
149.09662	1.4
149.13245	6.1
151.11221	1.1
153.09158	0.7
155.07129	1.3
157.10178	1.3
159.11710	8.6
159.13037	0.8
163.11224	1.0
165.07506	1.1
167.07111	1.5
167.10732	0.6
171.11732	1.0
174.08017	2.9
174.58244	0.5
176.58383	0.7
177.12767	3.4
181.05029	1.5
183.08505	2.3
185.58894	1.2
191.10706	0.8
191.14319	0.7
192.09029	2.1
194.59369	0.6
195.13814	2.6
207.65347	0.4
209.07957	0.5
209.11862	1.0
209.15211	2.5
227.07074	0.8
227.10728	1.0
227.12766	2.1
227.15729	2.3
227.18002	2.4
227.25053	0.6
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
52.83092	0.4
53.00333	0.4
53.03947	1.5
55.01869	0.7
55.05513	3.2
56.02647	1.2
56.96581	0.7
57.03419	0.5
57.07082	0.7
65.03947	0.8
67.05507	20.2
69.07078	2.6
70.54062	0.5
70.54425	1.5
70.96699	0.4
71.04996	100.0
79.05495	8.3
81.07056	27.8
83.04978	1.4
83.08628	1.5
85.06554	3.0
91.05482	4.7
93.07044	14.5
95.04990	0.9
95.08607	15.6
97.06533	3.1
97.10178	0.5
99.08110	1.3
100.11263	1.0
103.01530	0.4
105.07031	2.5
106.72346	0.4
107.08593	4.8
109.06543	1.6
109.10170	1.9
111.08097	1.9
117.07001	3.3
119.08634	0.6
121.06536	1.1
121.10155	2.1
123.08115	0.5
125.09635	0.5
131.08574	4.3
133.10139	4.9
135.08138	1.1
135.11693	10.7
147.11719	0.8
149.09625	0.4
149.13258	5.3
159.11707	7.8
163.11293	0.6
167.07149	0.8
174.08006	0.5
175.14920	0.7
177.12788	4.3
183.70543	0.4
193.15906	0.5
195.13814	2.8
209.15379	2.8
227.12714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03951	2.2
53.82328	1.7
55.01869	2.6
56.56490	1.7
57.03410	2.1
57.07070	4.3
65.03929	2.5
67.05509	24.3
68.76846	1.9
69.07070	3.4
69.73402	8.0
71.04993	18.3
73.02911	4.4
75.35477	1.9
79.05497	24.6
81.07050	4.2
83.04969	6.2
85.06548	100.0
91.05486	15.8
93.07053	17.4
95.04967	4.3
95.08596	2.4
97.06544	3.0
99.08096	5.5
105.07037	15.3
107.04955	10.6
107.08594	22.2
109.06512	4.4
111.04441	12.5
117.07014	7.9
119.08582	15.3
121.06503	10.9
121.10142	21.2
123.04420	2.9
123.08088	2.0
125.05972	6.4
129.07013	5.1
131.08568	57.9
135.07980	2.9
135.11673	4.8
137.09616	7.6
140.04692	7.1
145.10143	24.2
147.08072	5.0
149.05994	2.1
149.09630	59.0
153.05406	2.2
155.07098	8.5
163.07658	1.6
163.11192	22.2
165.09126	7.6
167.07031	1.8
167.10689	31.1
173.09630	5.7
179.10725	2.0
181.04980	15.0
191.10677	53.1
209.08237	2.6
209.11740	58.0
227.09209	2.7
227.12801	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03939	4.1
53.55888	1.8
55.01881	2.7
55.05501	8.1
56.96542	2.1
57.03441	3.8
57.07074	3.8
61.80765	1.9
65.03925	3.1
67.05509	26.3
67.08079	1.6
69.03436	5.8
69.07073	7.1
70.68872	5.2
71.05007	18.8
71.60791	1.6
76.81561	1.9
79.05499	25.9
81.03415	8.4
81.07049	10.0
83.04987	15.2
85.06546	100.0
91.05474	17.3
93.07046	25.5
95.04971	8.4
95.08600	4.1
95.09612	1.7
97.06534	5.6
98.97604	4.9
99.04446	4.7
99.08094	5.7
100.11240	2.1
105.03387	3.6
105.07032	19.2
107.04955	9.5
107.08598	27.7
109.02892	3.5
109.06533	7.5
109.10167	3.2
111.04447	14.1
117.07040	4.3
119.08579	16.7
121.02868	1.7
121.06521	16.5
121.10157	22.9
123.04441	5.0
123.08048	4.4
125.06002	6.5
125.09663	1.8
127.03902	2.1
129.07005	3.5
131.08572	56.5
133.10130	3.6
135.08066	3.7
135.11713	8.3
137.05983	2.6
137.09650	9.3
139.03929	2.4
140.04764	2.5
141.05446	2.9
145.10141	21.8
147.08124	4.5
147.11691	2.6
148.05238	3.8
149.05997	7.7
149.09631	59.6
151.07555	2.9
151.11171	2.3
153.05449	3.7
154.06267	3.7
155.07007	5.1
156.44609	1.9
163.11174	21.6
165.09146	10.7
167.07033	20.1
167.10678	30.8
171.04958	2.7
173.09682	7.4
173.13300	2.0
177.05484	5.0
191.10667	50.5
191.14313	2.7
194.05782	3.2
195.06552	6.0
197.11717	1.9
209.08203	15.8
209.11731	58.6
209.15123	2.5
227.07092	2.3
227.09160	7.5
227.12796	28.7
227.16342	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16967	1.0
51.09971	1.0
55.01879	1.8
55.05519	2.1
57.03438	1.6
57.07067	2.9
67.05179	1.7
67.05510	22.2
69.07063	4.0
69.19518	2.1
69.19935	9.9
71.05001	17.9
79.05499	16.7
81.07055	4.7
83.04967	4.9
85.06552	100.0
89.82786	1.2
91.05495	11.8
93.07050	16.8
95.04959	3.2
95.08601	2.3
97.06534	2.5
98.20678	2.6
99.08094	4.9
103.05481	1.2
105.07043	15.4
107.04968	8.9
107.08599	22.9
109.06528	4.4
111.04446	10.8
117.07027	5.4
119.08595	14.5
121.06501	13.3
121.10147	18.0
123.04449	1.9
123.08053	2.7
125.06010	8.1
129.06989	5.4
131.08580	60.1
133.10066	1.3
135.08055	1.5
135.11722	6.2
137.06003	3.6
137.09598	5.7
140.04726	1.4
145.06525	1.3
145.10149	25.4
147.08047	5.6
147.11729	1.6
149.05989	1.9
149.09636	65.9
153.05487	3.4
153.11528	1.2
155.07004	3.7
155.08501	1.4
163.07675	1.4
163.11188	22.7
165.09117	9.9
167.07051	2.5
167.10690	30.7
173.09639	8.6
179.10715	1.7
181.04927	2.7
191.10690	59.3
197.11746	1.9
204.30856	1.3
209.11754	56.8
227.12819	28.1
230.93390	1.6
241.71355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0551
Annotation	cspyrone B1
Peak:m/z	Relative Intensity
52.91456	0.7
55.01874	10.9
55.05511	1.1
56.96578	1.1
67.01861	0.9
67.05492	1.5
68.99791	1.2
69.03436	3.7
69.07070	1.8
69.56687	3.5
71.05002	3.2
73.02939	5.3
79.05498	2.3
81.03422	2.0
81.07069	2.1
83.01352	1.0
83.04993	0.6
85.02878	1.2
85.06560	1.9
91.05479	3.4
93.07042	3.1
95.04960	4.3
95.08578	1.6
97.02916	1.3
97.06510	1.4
98.20731	0.8
98.97600	2.4
99.04459	2.3
100.11253	0.9
101.02388	11.4
103.05461	1.1
105.07051	3.9
106.04155	0.7
107.04951	3.3
107.08586	2.3
109.02882	2.9
110.97584	1.3
111.00790	1.0
111.04466	0.6
115.05418	0.9
117.07024	0.7
119.04959	2.9
119.08617	1.2
121.02909	0.9
121.06499	2.7
121.10137	2.5
123.04443	1.0
123.11716	1.4
125.02382	2.5
125.05988	1.2
125.09654	0.8
127.03925	94.2
128.04286	0.6
128.98589	1.2
129.80280	0.6
130.09210	0.6
131.04965	1.2
131.08553	2.7
133.06479	1.8
133.10150	3.1
135.04420	1.2
137.05977	2.2
139.03899	2.3
139.11153	0.7
140.04622	1.2
143.03418	3.9
145.10103	1.0
149.02342	1.8
149.06012	1.5
149.09604	2.0
151.03871	0.9
151.11194	0.8
153.01837	49.2
153.05463	14.8
153.09079	0.9
155.07042	1.6
161.06020	1.7
163.03923	18.0
167.03394	9.4
167.07056	14.6
167.10672	2.7
173.13217	1.4
177.05446	4.4
181.04961	51.0
181.08525	1.4
191.03442	3.5
191.10706	1.6
191.14323	1.6
209.04465	100.0
209.07954	2.3
209.11665	3.1
219.01842	1.0
227.05492	1.2
227.09093	1.1
227.12784	1.2
237.02933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03946	1.9
55.01881	6.1
55.05507	1.9
56.96559	1.4
65.03937	4.6
67.05514	4.7
67.60297	0.9
67.83950	0.8
69.03403	2.6
69.07069	1.7
71.04964	1.1
71.20056	1.6
73.02923	40.8
79.05473	2.4
81.03420	1.1
81.07049	1.4
82.04173	2.2
83.05009	1.2
85.02917	4.2
85.06548	3.8
91.05479	3.5
93.03400	3.0
93.07043	2.6
95.04978	5.4
95.08561	1.4
97.02881	2.0
97.06534	2.9
98.97590	2.0
100.11272	1.4
103.05465	1.8
105.07045	2.0
106.04137	1.1
107.04946	1.9
107.08588	2.2
108.02097	1.3
108.63454	0.7
110.03671	3.9
110.97572	2.6
111.04420	1.5
119.08591	1.3
121.06555	3.8
121.10129	2.1
123.04440	9.9
123.08038	1.4
125.02320	2.6
125.05984	2.3
128.98579	1.7
131.08546	2.8
133.06480	1.1
137.05988	1.3
138.03081	1.6
140.04688	47.4
142.02588	2.2
145.10112	1.9
148.05150	1.1
149.05959	3.1
149.08389	0.7
149.09563	4.3
149.13223	1.0
151.04012	1.2
153.05415	4.6
153.09067	1.2
155.07040	80.2
161.05916	1.0
163.03969	1.9
163.11183	1.8
166.06267	1.0
167.07060	9.6
167.10666	2.3
171.06541	3.5
173.08105	3.4
177.05498	3.9
179.07048	3.4
181.04964	100.0
181.08528	3.4
182.05411	0.8
191.10696	2.7
209.08116	27.1
209.11743	3.7
209.15353	0.9
227.06952	1.9
227.09146	29.6
227.12727	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
53.03936	1.7
55.01864	1.1
55.05512	31.1
56.96566	3.6
57.03428	1.1
57.07072	1.9
61.02905	0.7
66.29485	0.4
67.05495	1.9
69.03421	2.3
69.07071	2.9
70.77975	0.9
70.78313	0.8
71.04999	3.4
73.02907	1.7
78.04702	1.4
79.05506	4.2
80.20143	0.5
81.03432	0.7
81.07059	3.9
82.06120	0.9
82.06587	12.3
83.04982	6.1
83.08148	1.0
83.08621	17.7
84.08144	0.8
85.02897	2.1
85.06523	2.3
89.03944	0.7
91.05484	8.2
91.58108	3.5
93.07044	22.1
94.07397	0.5
95.04988	2.9
95.08595	3.8
97.02897	1.9
97.06540	1.5
97.10178	0.6
97.32539	0.5
98.09710	1.9
98.97586	32.0
99.04459	5.6
99.08121	0.5
99.97877	0.5
100.07622	3.5
100.09457	10.1
100.11259	100.0
101.00820	0.8
101.05972	0.5
101.11597	1.2
103.05466	4.2
105.04551	1.0
105.07026	3.2
106.04183	1.8
107.04973	4.0
107.08594	8.1
108.08945	0.7
109.02901	0.9
109.06511	1.7
109.10146	1.6
110.06042	10.2
110.97613	0.7
111.04446	6.5
111.08076	1.0
112.07618	1.2
114.09170	2.2
116.98630	7.2
117.03451	0.5
117.13879	5.7
119.01839	2.1
119.04974	0.6
119.08592	4.3
120.05733	0.5
121.06506	9.2
121.10131	2.7
122.03656	0.7
123.04448	5.4
123.08091	1.6
123.11719	1.7
123.75155	0.5
123.78950	0.5
124.05225	2.1
126.09166	1.8
128.02324	3.1
128.07065	3.3
131.04935	3.9
131.08600	0.9
133.10136	4.3
134.03635	1.9
134.10550	0.6
134.99678	1.0
135.04454	1.0
135.08073	0.7
135.11710	7.7
137.02821	1.1
137.05991	6.3
137.09627	0.8
139.08679	1.0
140.00246	1.1
140.04674	2.7
140.07069	1.2
140.10735	1.0
141.03114	0.8
141.11488	13.5
143.00140	0.6
143.08548	0.6
143.11774	1.5
145.02798	1.1
145.10156	0.7
147.04372	1.3
147.05606	0.5
147.11687	1.1
148.05228	1.8
149.05994	10.6
149.09692	0.8
149.13235	1.1
151.03928	1.2
152.04672	1.6
153.09097	0.8
153.12741	1.4
154.12288	4.4
155.07028	2.5
155.11229	2.5
156.06252	1.0
158.99661	18.9
159.04378	2.5
160.00017	0.7
162.03020	0.6
163.07550	0.8
163.11162	1.1
163.64386	8.8
165.05473	0.9
165.06799	0.6
166.15970	0.8
167.07042	77.8
169.05043	0.7
169.08549	0.5
172.15778	2.7
174.39488	0.5
175.14806	3.7
176.07790	0.8
177.00726	9.1
177.05463	20.5
181.04950	1.3
181.06499	0.6
181.08620	1.2
182.15411	13.9
183.13824	0.9
186.07236	5.4
188.15771	0.5
191.07092	1.1
191.10696	0.9
191.14304	1.5
194.05721	0.7
195.06294	0.8
195.07825	7.1
197.08249	0.6
199.18086	7.4
200.02365	1.1
204.66539	1.0
206.08836	8.1
206.58801	3.1
209.08109	6.4
209.11720	0.9
209.14989	0.7
209.16592	11.3
210.14900	7.9
213.17796	22.9
213.19853	1.2
213.67976	1.1
219.01814	3.0
225.16002	1.5
226.19170	1.1
227.07117	0.6
227.09039	2.4
227.12723	1.0
227.17606	28.6
227.19511	1.7
244.20110	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17997	0.5
55.01872	12.6
55.05510	1.2
56.96562	1.8
57.03441	0.6
57.07070	0.7
59.01212	0.5
67.05495	2.1
67.80003	0.6
68.99801	1.2
69.03429	2.7
69.07068	1.4
71.05000	2.4
71.33816	0.5
71.40613	0.7
73.02919	5.6
79.05493	3.0
81.03423	2.1
81.07051	2.9
83.04990	1.4
85.02911	1.4
85.06554	1.4
87.14780	0.6
91.05475	4.5
93.07037	3.3
95.04976	2.4
95.08599	0.9
97.02888	2.8
97.06529	2.4
98.97583	2.0
99.04447	2.3
100.11237	1.8
101.02386	11.7
103.05462	1.7
105.06393	0.7
105.07011	3.0
107.04952	4.6
107.08588	2.8
109.02889	2.3
109.06512	0.9
110.97554	1.3
111.04457	1.5
115.07523	0.6
119.04977	3.1
119.05712	0.5
119.08586	1.3
121.06508	2.9
121.10145	1.8
123.04423	2.4
123.11732	1.3
125.02356	2.2
125.05973	2.1
127.03917	100.0
128.98578	0.8
131.08569	2.7
133.06480	2.1
133.10139	2.5
135.04395	1.7
135.11639	0.8
137.05980	2.6
139.03886	3.6
140.04669	2.6
143.00172	0.7
143.03409	4.0
145.10152	1.7
149.02354	1.9
149.05978	2.3
149.09598	3.3
151.03870	0.9
151.11189	1.1
153.01826	53.0
153.05449	15.5
153.09036	0.7
155.07033	3.4
161.01202	0.9
161.05988	2.6
163.03909	19.8
163.11151	1.7
167.03398	9.7
167.07043	15.5
167.10704	3.3
171.02927	0.7
173.13164	0.9
177.05484	4.1
181.04953	56.1
181.08511	1.7
191.03391	4.7
191.10655	1.9
191.14317	0.7
204.19911	0.6
209.04448	98.1
209.07898	2.5
209.11745	5.4
209.15332	1.4
210.04727	0.9
219.01791	0.7
227.05438	1.5
227.09091	2.4
227.12627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03959	1.9
55.05507	13.1
55.96482	2.2
57.03429	6.0
57.07055	5.9
59.04999	2.3
67.05511	13.4
69.03419	7.5
69.07054	8.8
69.22085	14.0
69.22505	7.9
71.05004	13.3
73.77155	2.0
79.05486	11.2
81.03416	5.1
81.07063	17.0
83.01344	4.3
83.04971	21.5
83.08617	5.0
85.02881	5.9
85.06528	4.9
86.18224	1.8
91.05486	14.2
93.07056	13.3
95.00850	2.0
95.04966	7.3
95.08058	3.5
95.08618	40.5
95.09209	1.4
97.02889	11.0
97.06528	7.2
98.97573	5.5
99.04433	6.1
99.08064	2.3
102.16901	2.1
103.39373	2.5
105.03381	5.8
105.07055	20.7
106.29930	2.3
107.04968	20.7
107.08611	28.1
107.43361	2.0
109.06527	18.0
109.10152	22.3
111.04426	3.5
111.08069	3.3
112.77958	2.3
113.06036	4.0
113.09680	5.6
115.05460	2.1
117.07009	2.4
119.04945	4.8
119.08594	23.0
121.06471	5.5
121.10149	29.4
122.07305	6.0
123.04441	3.6
123.08068	42.2
123.11716	6.1
125.05962	13.5
125.09621	10.1
131.08560	4.3
133.06470	2.7
133.10152	10.1
135.08035	9.2
135.11694	8.1
137.05986	6.8
137.09625	51.1
137.11214	2.3
137.13222	10.3
139.07498	3.0
139.11171	4.4
143.08636	2.2
145.10152	6.9
147.04408	3.0
147.08028	5.4
147.11719	13.9
149.08430	2.4
149.09621	46.2
151.03911	2.5
151.07559	20.7
151.11166	13.3
151.14812	5.8
153.09122	6.5
155.06958	2.4
155.10657	4.0
156.09338	5.3
156.47130	2.0
158.99641	5.3
159.08052	3.0
161.09660	3.5
161.13251	26.6
163.11177	9.5
165.05496	3.7
165.09120	100.0
165.12779	33.3
167.07082	5.9
167.10689	39.8
169.08572	3.3
171.11681	6.6
174.10422	4.4
179.06963	2.2
179.14301	14.0
181.12239	5.7
183.08054	4.5
189.12762	33.9
193.04843	4.2
207.13799	56.1
210.08823	5.3
220.55231	2.4
225.09148	3.4
225.14873	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03942	4.3
55.01874	7.8
55.05523	16.4
57.03421	4.3
57.07082	4.3
59.05003	26.9
63.96516	3.4
65.03922	4.1
67.05510	27.4
67.95370	3.3
69.03423	14.7
69.07070	10.7
69.57050	18.7
71.04995	8.2
79.05494	22.5
81.03423	6.1
81.07059	28.0
83.04996	19.4
85.02913	9.0
91.05495	36.7
93.07048	38.1
95.04987	17.5
95.08630	23.6
97.06552	7.9
99.04467	8.6
105.03427	3.2
105.06400	4.9
105.07045	66.7
107.04942	8.7
107.07877	5.7
107.08602	91.7
108.05727	4.3
109.06514	40.4
109.10177	21.9
111.04469	5.2
111.08086	9.3
117.07011	9.8
119.05020	4.2
119.06068	5.0
119.08592	55.6
121.06490	16.9
121.10132	27.9
123.08083	89.6
123.11699	7.1
125.05994	15.2
125.09592	3.7
130.07820	3.7
131.08586	7.4
133.06494	10.6
133.10147	16.0
133.62271	3.1
135.08064	35.9
135.11705	46.0
137.09628	100.0
141.09169	5.5
143.01921	4.4
143.08583	3.3
145.10126	11.2
147.08067	9.9
147.11690	28.5
149.09619	21.8
151.07571	16.9
153.09131	20.9
156.09395	7.3
156.96623	3.1
161.09616	6.3
161.13272	45.3
163.11188	25.3
165.09125	31.6
165.12740	4.1
167.10695	7.9
171.11646	7.8
177.12756	5.9
179.14279	4.8
181.08624	4.3
181.12303	7.1
189.09106	3.8
189.12740	23.6
193.06250	3.9
207.10243	6.0
207.13759	22.5
225.14850	21.7
241.97359	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	5.4
55.01863	4.8
55.05518	19.2
57.03417	3.4
57.07073	5.4
59.04974	3.2
67.05508	26.2
69.03089	4.1
69.03433	65.3
69.07076	15.1
69.84898	6.9
69.85293	9.4
71.04996	35.5
79.05499	19.8
81.03405	10.6
81.07062	35.8
83.04990	19.0
83.08608	8.4
85.02893	12.6
85.06534	6.9
91.05479	20.6
93.07050	24.8
95.04980	15.3
95.08618	36.7
97.06551	14.2
98.21434	3.6
98.97594	5.8
99.04462	100.0
99.08119	3.0
105.03397	22.9
105.07034	48.4
107.04917	8.9
107.08604	66.7
109.06529	47.5
109.10187	15.9
111.04485	3.7
111.08054	5.6
113.09615	4.8
117.47502	2.6
119.08594	38.6
119.22054	2.9
121.06496	8.6
121.10145	41.8
123.04409	14.8
123.08077	42.6
123.11716	19.2
125.06007	3.7
125.09608	11.8
131.08531	6.7
133.06491	15.3
133.10141	42.7
135.08055	8.1
135.11687	5.7
136.05838	3.0
137.05969	4.4
137.09628	51.0
139.11174	17.2
143.08578	3.3
145.10110	15.0
147.08026	9.7
147.11694	37.4
149.09630	49.4
151.07523	9.0
151.11134	5.5
156.09322	6.1
157.97551	3.5
158.99600	3.1
159.11670	4.8
161.09651	6.1
161.13304	15.6
163.11212	31.8
165.09152	36.8
165.12773	19.8
167.07053	3.3
167.10683	28.3
171.11684	10.9
174.10411	8.8
177.12675	3.9
179.14281	3.4
183.13829	38.0
189.12752	37.2
193.04474	10.2
202.04982	3.7
207.13815	47.8
225.12878	4.4
225.14873	33.8
240.89323	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03943	3.2
55.01870	4.8
55.05511	11.8
56.96556	8.2
57.03430	8.3
57.07080	3.3
59.04994	2.4
59.84884	1.9
67.05512	19.3
69.03427	19.0
69.07064	7.1
71.04980	10.0
71.09034	3.3
71.09361	2.1
74.97643	2.6
77.45998	1.5
79.05492	13.5
81.03421	23.6
81.07058	18.3
83.04984	23.8
83.08620	4.0
85.02905	13.3
85.06547	6.1
87.04537	1.9
91.05481	21.4
93.07050	27.3
95.04973	15.3
95.08054	3.0
95.08614	34.1
97.02897	3.0
97.06523	6.6
97.99193	3.7
99.04470	8.7
99.08102	7.0
103.05484	1.8
105.03436	2.0
105.05971	1.9
105.07030	32.6
107.04945	11.9
107.08602	38.8
109.02888	38.6
109.06522	33.9
109.10152	27.2
111.04420	4.9
111.08059	2.9
113.09638	3.4
117.07003	6.9
119.04992	1.8
119.08582	36.6
121.06493	7.3
121.10140	29.9
122.07281	2.2
123.04447	2.1
123.08074	47.7
123.11700	8.9
125.06004	3.3
125.09639	7.2
127.03918	2.6
129.06993	3.0
130.07780	4.4
131.08586	8.4
133.06503	6.7
133.10132	9.8
135.08054	10.1
135.11688	8.6
137.09621	67.2
137.13205	1.8
139.11226	3.7
143.08539	2.6
145.10117	20.2
147.08006	19.2
147.11719	17.7
149.09627	45.9
151.07564	15.6
151.11195	2.5
155.87045	1.9
156.09404	3.5
159.11647	4.1
160.08810	2.1
161.09592	5.6
161.13269	18.7
163.11185	48.3
165.09116	100.0
165.12735	8.5
167.10670	23.8
169.08594	4.4
171.11739	8.0
174.10472	2.1
177.12802	5.6
178.98682	2.6
179.14330	3.3
181.12273	5.6
183.13821	4.1
189.12755	30.7
193.04836	1.9
195.13872	2.3
207.13805	35.6
225.14827	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.21131	2.3
53.03949	3.9
53.59193	2.5
55.01878	4.5
55.05502	10.9
56.96568	3.0
57.03435	13.9
57.07069	2.3
57.82377	2.4
61.02917	2.7
64.12219	2.5
67.05510	21.1
68.57998	2.6
69.03439	14.5
69.07074	8.6
69.57050	12.9
69.57461	5.6
71.04974	15.5
77.03923	2.7
79.05491	16.0
81.03423	30.0
81.07062	25.4
83.04984	27.7
83.08634	4.0
85.02903	17.6
85.06540	4.7
91.05479	23.1
93.07054	33.4
95.04973	12.4
95.08611	50.1
97.06542	7.9
98.21545	2.6
98.97575	3.3
99.04455	13.5
99.08092	3.8
104.28208	2.6
105.07034	45.0
107.04949	10.9
107.08598	41.3
109.02885	7.8
109.06516	33.3
109.10159	31.4
111.04488	2.8
111.08143	3.8
113.09660	5.1
117.07009	10.3
119.08590	54.8
121.06525	9.3
121.10163	43.7
122.07243	3.8
123.08077	43.2
123.11731	10.4
125.05999	3.6
125.09641	11.5
127.07566	3.1
129.07031	3.4
131.08583	10.2
133.06494	11.8
133.10147	18.2
135.08009	13.6
135.11691	11.5
137.09618	84.1
137.13232	2.8
139.16957	2.9
141.09079	5.0
143.08580	3.6
145.10114	25.4
147.04422	6.8
147.08069	20.3
147.11696	35.8
149.08450	4.5
149.09627	89.0
149.13251	5.5
151.07535	14.6
156.09354	4.7
159.11729	9.0
161.09621	6.6
161.13281	26.6
163.11201	58.8
165.09114	100.0
165.12804	14.5
167.10672	4.4
169.08589	8.8
171.11748	13.9
174.10451	7.2
177.12791	7.4
179.14345	9.0
189.12782	53.3
207.13812	56.1
225.14816	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03929	4.7
55.01874	5.4
55.05510	13.3
57.03426	4.0
57.07073	4.9
58.25018	1.9
59.04991	2.8
67.05502	17.3
69.03427	20.5
69.07064	6.4
69.55524	14.0
69.94839	2.2
71.05000	4.6
73.02921	2.8
79.05478	14.9
81.03415	8.2
81.07054	36.4
81.07509	3.1
83.04980	40.6
83.08610	3.1
85.02905	14.9
85.06527	2.5
88.58090	2.0
91.05486	16.3
92.74693	2.2
93.07047	27.7
95.04944	6.8
95.08607	50.3
96.07092	2.2
97.06528	13.2
98.97574	3.2
99.04443	9.4
105.03396	3.8
105.06393	3.5
105.07034	39.7
107.04949	6.9
107.08595	50.2
109.02869	4.5
109.06516	61.1
109.10144	7.9
111.08096	6.5
113.06004	2.9
119.04932	2.2
119.08588	34.7
121.06489	3.6
121.10141	31.5
122.10913	4.0
123.08067	100.0
123.11707	9.4
125.06018	6.2
125.09587	2.6
131.08582	6.0
133.06511	5.8
133.10156	18.6
135.08041	3.4
135.11690	51.7
137.05952	4.0
137.09636	6.0
137.13272	6.3
139.07520	3.5
141.09105	43.8
145.10097	4.6
147.08060	9.3
147.11691	34.1
149.05969	6.3
149.09618	16.3
149.13240	3.5
151.07541	20.1
159.11678	5.5
159.92400	2.2
161.09604	3.4
161.13269	44.3
163.03882	4.3
163.11182	9.1
165.05521	3.4
165.09125	4.2
165.12685	11.0
167.10727	5.3
169.08583	5.2
171.11707	5.5
177.12703	7.9
178.47404	2.2
179.14314	6.8
180.04198	7.6
181.08635	4.0
189.12711	23.5
193.04926	3.2
195.13803	5.3
204.82735	2.3
207.06572	5.6
207.13797	80.4
225.07426	3.6
225.11241	4.7
225.14818	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03949	3.7
55.01885	2.2
55.05511	10.5
57.03431	3.9
57.07072	4.9
59.04996	4.4
60.97622	2.2
63.53449	2.2
66.87879	2.4
67.05506	18.9
69.03432	15.7
69.07073	12.6
69.60248	15.7
71.04997	5.7
71.71151	1.9
73.02909	3.2
73.32948	2.1
79.05489	12.4
81.03429	6.0
81.07063	37.4
83.04980	30.5
83.08130	2.1
85.02909	12.1
91.05483	16.8
93.07047	28.9
95.04978	6.5
95.08608	53.6
97.06541	10.5
97.10165	3.1
99.04451	5.1
101.05994	2.6
105.07026	41.0
107.04969	3.6
107.08601	54.0
109.02900	6.1
109.06526	55.2
109.10165	6.0
109.24602	2.0
110.66071	2.0
111.08105	3.7
113.05968	3.6
119.08585	44.4
121.06501	4.2
121.10139	30.6
122.10947	3.6
123.08076	100.0
123.11713	8.4
127.07580	2.6
131.08606	5.9
133.06476	6.6
133.10135	20.3
135.08122	5.2
135.11700	60.5
137.09668	7.1
137.13245	4.7
139.07538	4.1
141.09105	55.7
145.10139	5.5
145.45731	2.0
147.08046	10.2
147.11673	39.2
147.12784	2.5
149.09613	18.2
151.07536	16.9
155.02046	1.9
156.09375	4.1
159.11719	4.9
161.09628	3.5
161.13271	47.9
163.11230	3.7
165.09077	3.1
165.12781	5.5
167.10707	3.5
169.08600	5.0
171.11748	3.1
174.10451	2.9
177.12697	5.1
179.14311	6.8
189.12761	29.8
195.13823	5.8
207.11888	5.1
207.13826	81.7
225.14897	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.02359	1.2
53.03934	3.9
55.01869	8.2
55.05271	1.4
55.05512	19.1
57.03431	8.3
57.07059	5.0
59.04991	3.9
61.02919	3.0
62.91920	1.0
65.03926	1.4
67.05506	21.8
68.99049	1.0
69.03098	1.7
69.03434	26.2
69.07063	7.6
71.02313	1.5
71.02640	2.2
71.04994	12.9
73.02905	4.0
79.05499	23.6
81.03424	9.1
81.07063	33.7
83.04984	28.9
83.08588	3.9
85.02909	32.9
85.06523	4.1
87.04439	2.5
91.03952	1.3
91.05484	45.9
93.07046	34.2
95.04978	16.1
95.08607	51.2
97.02881	4.2
97.06534	13.0
97.10173	2.1
98.97574	3.6
99.04459	20.3
101.94980	1.4
103.05439	2.8
105.03394	2.7
105.07034	68.4
107.04988	11.1
107.08598	56.9
109.02888	4.6
109.06519	53.8
109.10158	10.7
111.04482	1.6
111.08083	4.8
113.06001	2.7
113.09628	1.4
114.12433	1.2
114.90322	1.3
115.03912	1.5
115.05437	2.7
117.07009	13.2
119.04961	6.4
119.08583	100.0
121.05022	1.2
121.06508	8.0
121.10146	35.3
122.10942	2.2
123.04407	5.3
123.08071	95.1
123.11691	8.6
125.05994	6.3
125.09616	6.9
127.03915	5.2
127.07531	3.2
128.06239	7.3
129.07010	15.3
131.03375	1.3
131.08546	6.4
132.09325	1.6
133.06491	11.7
133.10141	42.2
135.04424	1.6
135.08092	8.3
135.11694	51.4
137.06041	6.1
137.09622	14.5
137.13327	2.6
139.07536	4.6
139.11185	2.7
141.05452	1.5
141.09108	37.3
143.08566	25.6
145.04933	4.2
145.06526	1.7
145.10132	10.0
147.04366	3.7
147.08055	60.1
147.11690	32.7
149.09624	28.5
149.13203	3.1
151.07535	17.1
151.11189	4.8
153.05527	2.9
153.09055	1.9
155.10689	1.7
156.09377	2.2
159.11665	5.4
161.05977	7.4
161.09622	34.4
161.13260	38.4
163.07559	1.8
163.11194	20.1
165.05460	3.3
165.09113	12.1
165.12755	7.0
167.10704	9.1
169.08568	3.7
171.08031	2.1
171.11688	7.7
174.10390	1.3
177.12721	7.6
179.07062	3.3
179.10672	8.8
179.14308	8.0
181.08603	2.0
181.12207	5.9
183.13786	5.5
189.09128	17.3
189.10645	1.8
189.10983	1.9
189.12741	26.5
195.10156	12.9
195.13800	4.8
207.10184	72.7
207.13791	71.7
216.90005	1.7
225.07616	2.3
225.11247	29.5
225.14833	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03967	1.6
55.01861	2.4
55.05522	5.4
57.03426	1.8
57.07067	3.3
59.04995	3.9
67.05510	7.4
69.03442	9.0
69.07069	5.5
69.57382	6.1
71.04981	2.9
79.05499	10.8
81.07066	12.1
83.04993	8.1
83.08615	3.0
83.13829	1.0
85.02883	3.7
85.06539	1.5
87.04484	2.9
91.05490	9.8
93.07047	19.0
95.04962	3.9
95.08608	14.0
97.02866	1.3
97.06549	4.8
98.21578	1.9
99.04446	2.9
103.05482	2.2
105.06323	1.0
105.07036	22.0
107.04967	2.5
107.08603	22.2
109.06532	10.1
109.10161	9.3
111.04438	1.7
111.08087	5.3
117.07003	3.3
119.04937	1.0
119.06063	1.4
119.08588	23.0
120.09313	1.1
121.06521	6.4
121.10154	25.1
123.08074	13.5
123.11684	3.4
125.06017	6.9
125.09635	4.6
129.06891	1.2
130.07768	1.4
131.08549	2.0
133.06551	1.8
133.10149	7.0
135.08038	4.6
135.11711	19.4
137.05980	2.4
137.09621	22.7
137.13281	2.2
139.07542	2.5
139.11212	4.0
141.09091	1.4
144.05704	1.0
145.10094	4.9
147.04381	2.1
147.08049	4.2
147.11732	5.2
149.09624	9.2
151.07521	7.5
151.11188	23.0
151.14861	1.7
153.09140	2.3
156.09384	1.7
159.11746	1.5
161.09615	4.0
161.13255	8.6
163.11201	22.0
165.07787	2.0
165.09131	32.1
165.12755	11.9
167.10677	6.5
171.11772	1.1
174.10451	1.1
177.12749	1.1
179.10672	1.3
179.14326	4.3
181.12250	70.9
189.12733	8.8
207.10213	1.2
207.13824	24.1
225.14874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	9.4
55.05513	30.7
56.96568	16.0
57.07075	8.4
59.04995	3.4
67.05170	6.7
67.05505	60.7
69.03441	6.4
69.07076	16.3
70.80529	3.1
71.05004	8.4
71.38038	3.7
71.38379	4.6
79.05498	77.6
81.03417	10.0
81.07066	46.8
83.04986	23.4
83.08622	11.0
85.06541	3.7
91.05480	60.2
92.19416	3.3
93.07047	100.0
95.04975	24.8
95.08606	27.1
97.06535	11.7
97.10151	7.5
99.04462	3.8
101.95041	69.5
105.07048	36.5
107.05006	8.0
107.08609	23.7
109.06509	18.1
109.10167	8.2
111.08051	4.9
113.20422	3.7
117.07014	9.8
118.96580	3.8
119.08605	30.2
119.96072	25.1
121.06543	3.9
121.10161	10.8
123.08069	10.4
127.07559	3.9
128.20529	3.3
129.07022	13.8
133.06613	4.9
133.10120	8.2
137.97112	8.6
142.97609	8.1
143.08615	7.1
145.10133	8.8
147.04433	6.0
147.11702	50.9
159.57207	3.9
160.98701	33.1
161.09686	6.6
161.13293	25.3
170.84978	3.5
171.11649	21.7
178.99812	9.7
179.14325	3.4
184.00412	4.2
184.09383	4.3
189.12761	12.1
193.12346	4.5
207.13812	27.5
225.09215	6.1
225.14799	57.8
225.16521	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.55008	4.1
53.03937	5.6
55.01857	3.9
55.05503	19.7
55.96024	4.5
56.96550	5.8
57.03422	5.7
59.04999	10.4
67.05518	28.5
69.03432	67.8
69.07064	13.0
70.09193	8.7
70.09592	8.3
71.04997	34.4
79.05500	28.9
81.03412	19.2
81.07059	43.2
83.04996	29.4
83.08624	12.1
85.02901	46.0
85.06538	12.1
87.04469	35.0
91.05497	27.5
93.07058	45.2
95.04961	12.3
95.08614	45.8
97.02888	8.1
97.06512	14.8
98.97594	14.1
99.03837	8.0
99.04459	82.7
105.07033	47.8
107.04948	11.6
107.08611	59.2
109.02906	5.1
109.06520	25.2
109.10162	38.4
111.08078	7.2
117.07031	4.3
119.04916	5.7
119.08598	47.2
121.06499	14.4
121.10148	73.2
123.08080	57.2
123.11709	47.9
125.06012	10.1
125.09626	7.9
130.18224	4.3
131.08556	12.9
133.06505	7.6
133.10144	11.8
135.08058	19.8
135.11690	13.7
137.09607	48.4
137.13258	5.0
139.11177	100.0
141.09081	4.6
143.08553	8.6
145.10136	13.5
147.08017	22.1
147.11687	27.9
149.09628	84.1
151.03937	4.9
151.07533	18.4
151.11214	9.1
156.09375	9.2
158.99701	7.1
159.11693	5.2
161.09683	9.4
161.13263	29.4
163.11192	28.0
165.09094	26.7
165.12714	20.7
166.06200	5.2
167.10686	9.6
171.11639	12.2
174.10370	6.2
177.12759	6.2
181.08681	4.5
181.12192	7.3
183.13763	6.1
184.85492	4.8
189.12756	54.3
195.13800	6.4
200.64030	4.2
207.10352	4.5
207.13824	74.9
225.14850	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2056
Annotation	Laggerol
Peak:m/z	Relative Intensity
53.03933	3.9
55.05515	33.0
57.07071	8.0
59.04986	3.0
67.05511	22.3
69.07068	32.1
70.32865	7.6
71.05000	33.9
73.06538	2.7
79.05497	13.5
81.03423	3.1
81.06590	4.5
81.07060	89.5
83.08620	30.8
90.82451	2.4
91.05487	5.6
93.07042	37.3
94.51305	2.8
95.04957	9.0
95.08606	100.0
97.06524	3.4
97.10152	10.6
98.85517	2.6
99.08105	22.6
105.07028	2.9
107.08596	33.8
107.77517	2.3
109.06497	2.9
109.10154	58.4
111.11700	6.0
121.10146	30.3
123.11711	42.0
125.13286	2.9
127.11205	14.8
135.11693	43.5
137.13260	71.8
141.12733	13.5
145.10059	4.4
149.02354	4.8
149.13263	69.8
153.12750	6.9
159.11580	2.2
163.14801	5.6
167.14351	4.4
174.49319	2.7
177.12814	3.8
205.19513	92.6
223.13243	18.0
223.20567	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2057
Annotation	(E,Z)-farnesol
Peak:m/z	Relative Intensity
53.03943	1.6
55.01876	1.5
55.05511	25.0
56.96563	3.3
57.03437	2.1
57.07083	8.5
59.04997	1.2
59.63829	0.7
63.00043	1.0
65.03937	1.0
67.05173	1.4
67.05509	19.3
69.03435	5.5
69.07071	100.0
70.07397	1.2
70.28660	2.9
71.04996	5.6
71.08624	2.2
73.06543	3.9
79.05495	9.5
81.03427	4.0
81.07058	36.5
82.07378	1.0
83.04994	3.9
83.08620	28.2
84.96021	0.8
85.02888	0.9
85.06543	9.3
87.04597	0.7
91.05499	5.6
93.07046	27.4
95.04965	4.4
95.08608	40.8
97.02949	1.0
97.06536	11.0
97.10177	9.3
98.97579	3.9
99.08098	5.6
105.07021	5.0
107.04964	2.1
107.08598	32.3
109.06509	2.7
109.10159	29.9
111.08099	4.8
111.11720	3.9
112.12114	0.8
113.09624	3.7
116.98621	3.3
117.07053	1.6
119.08596	4.1
121.02863	2.0
121.06509	2.9
121.10149	22.3
123.08073	2.2
123.11707	17.0
125.06030	1.5
125.09609	4.4
125.13253	1.8
126.01037	1.1
131.08553	2.2
133.10124	2.0
134.99632	1.2
135.04407	0.7
135.08049	1.4
135.10690	1.5
135.11697	22.8
137.09634	0.9
137.13281	5.1
139.07544	0.9
139.11192	12.1
139.14767	1.7
145.10127	3.0
147.11642	0.8
149.02359	18.7
149.05980	0.8
149.09644	1.4
149.13263	23.1
149.14384	1.5
151.14810	1.2
153.12750	6.5
153.96498	0.8
158.99658	1.6
159.11731	2.1
161.13272	1.4
162.03093	1.6
163.11160	2.9
163.14847	5.3
165.09125	1.4
165.12782	1.6
165.16394	1.4
167.07100	1.8
167.14320	2.9
177.00700	1.7
177.12798	2.0
177.16393	2.1
179.17950	1.8
181.12277	0.9
187.11258	1.3
187.14774	1.2
205.12233	2.8
205.15948	1.5
205.19576	12.2
223.05952	6.5
223.07886	0.9
223.11243	2.1
223.13264	9.7
223.17322	4.8
223.20587	47.4
225.04311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11629	1.6
65.85136	1.5
69.46873	12.4
82.01454	1.6
82.99855	7.0
84.01795	1.7
84.96032	4.3
96.42764	1.6
98.97614	3.5
101.00884	62.2
103.40858	1.6
118.78756	1.5
119.01929	100.0
124.02475	7.5
133.20644	1.8
137.02971	11.9
140.98732	1.9
142.03500	63.3
143.01888	1.9
153.31255	1.6
158.99924	8.4
160.04567	10.4
160.05807	2.0
161.02963	36.4
177.00951	16.4
179.04019	42.0
182.99649	2.0
184.04536	6.4
201.00868	3.0
202.05621	3.5
203.98901	1.6
217.04147	2.9
219.02005	22.8
220.01909	1.8
243.02071	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	225.1122
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03938	2.2
55.01871	6.2
55.05510	12.2
56.96567	1.5
57.03429	5.2
57.07070	2.8
61.02911	2.3
65.03929	1.1
67.05505	13.5
69.03432	17.8
69.07056	4.9
69.83180	5.5
71.04995	11.7
73.02931	1.6
77.03956	1.4
79.05489	16.7
81.03413	4.5
81.07066	15.2
83.04990	12.7
83.08639	2.0
85.02905	22.5
85.06540	2.3
87.04454	1.4
91.03960	2.2
91.05483	43.2
93.07044	18.1
95.04984	10.7
95.08618	11.5
97.02885	5.0
97.06528	6.6
98.97584	4.7
99.04461	20.5
100.87167	1.2
103.05460	2.7
105.03412	2.7
105.07036	53.3
107.04959	12.0
107.08595	26.3
109.02857	2.8
109.06519	19.6
109.10160	6.7
111.04446	2.0
111.08028	2.1
115.05452	2.0
117.07017	10.1
119.04960	9.0
119.08586	86.5
120.06365	1.1
121.06514	6.9
121.10152	16.1
123.04435	4.7
123.08064	26.7
123.11716	4.5
125.06004	6.8
125.09632	4.6
127.03920	4.0
127.07575	1.2
128.06229	8.9
129.07016	18.2
130.07755	1.6
131.08606	5.4
132.05743	1.3
133.02818	1.2
133.06529	8.6
133.10138	39.4
135.04430	4.3
135.08026	7.6
135.11713	12.2
137.05994	7.1
137.09639	10.0
141.05423	1.7
141.09131	6.8
143.08565	31.0
145.04965	5.0
145.06506	2.2
145.10138	9.9
146.07271	1.4
147.04419	4.2
147.08054	72.4
147.11710	7.8
148.08516	1.5
149.09619	18.3
151.03862	1.3
151.07545	8.0
151.11169	3.6
153.05475	3.4
153.09091	1.6
155.10664	1.1
156.09293	1.4
161.05975	10.1
161.09631	39.9
161.13283	7.9
163.07541	2.4
163.11186	26.6
165.05504	9.6
165.09138	17.4
165.12766	4.4
167.10704	8.5
169.08670	1.9
171.08078	2.8
171.11699	1.6
175.39377	1.1
177.09113	2.1
177.12767	2.4
179.07040	3.3
179.10680	13.1
179.14304	2.1
180.04164	1.7
181.08603	1.4
181.12230	9.5
183.13791	5.7
189.09113	22.7
189.12726	7.1
193.04890	2.7
195.10170	20.0
195.13832	1.4
207.10173	100.0
207.13704	19.5
225.07605	2.5
225.11229	52.7
225.14743	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	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.77855	1.2
53.03944	3.0
55.01873	4.2
55.05518	7.6
56.96562	3.6
57.03435	1.8
57.07063	2.1
59.04987	3.7
59.05262	1.1
61.02901	1.9
67.05508	7.9
69.03139	1.0
69.03437	11.1
69.05564	1.1
69.07060	5.5
70.93288	3.8
71.04994	3.2
79.05506	9.1
80.92458	1.2
81.03410	6.9
81.07076	10.1
83.04984	17.6
83.08613	1.7
84.72704	1.2
85.02898	8.5
85.06564	5.6
85.45361	1.3
91.05486	16.3
93.07053	31.4
95.04974	16.5
95.08607	8.8
97.02866	2.8
97.06541	3.5
97.10172	3.5
98.97591	19.7
103.05484	1.5
105.06406	1.9
105.07043	19.5
107.04954	3.9
107.07966	1.8
107.08604	19.3
109.05804	2.5
109.06526	41.4
109.10174	7.2
110.35863	1.1
111.04474	1.5
111.08107	8.2
113.06003	14.9
115.05466	1.5
116.98686	5.8
117.07015	6.7
119.08595	17.5
120.04636	1.2
121.05679	2.4
121.06519	43.4
121.10149	13.7
123.04414	2.8
123.08078	9.6
123.11714	2.2
123.69939	1.2
125.09641	2.8
128.06181	1.6
129.01273	1.1
129.06921	1.5
131.06886	1.3
131.08574	6.8
133.10155	19.4
135.07120	2.1
135.08064	26.1
135.11693	7.2
137.05986	1.7
137.09637	16.7
139.07559	7.0
143.08559	4.7
144.09370	3.6
145.06514	1.7
145.10141	12.3
146.07323	1.5
147.08054	6.5
147.11830	1.5
149.02341	2.4
149.06023	3.5
149.09633	100.0
149.13258	3.8
151.11208	9.4
153.09088	3.2
158.99695	8.2
159.08023	2.1
159.11711	16.0
161.09630	23.9
162.10336	1.5
163.07539	3.0
163.11189	19.2
165.09142	12.9
167.07057	6.4
172.08804	3.7
173.13306	1.9
175.11179	1.7
177.00722	5.1
177.07477	2.0
177.12766	18.7
179.10687	28.4
181.12224	2.5
187.11200	17.3
190.10056	1.5
193.12248	2.6
195.13773	2.1
202.06714	2.4
203.07567	4.6
205.12247	40.6
213.78564	1.3
219.01799	1.4
223.02417	10.2
223.06068	4.6
223.13298	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	223.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89132	1.5
51.02381	2.0
53.03936	4.5
55.01862	3.4
55.05511	10.0
56.96560	7.0
57.03435	2.3
57.07048	2.3
59.04984	4.6
65.89221	1.6
67.05511	10.2
69.03150	1.3
69.03436	14.1
69.07055	6.4
71.04982	5.5
71.53631	1.9
75.00356	1.4
79.05503	10.3
81.03452	7.7
81.07069	13.2
83.04990	17.0
83.08566	2.6
85.02923	13.6
85.06538	7.1
91.05487	18.2
93.06499	2.0
93.07050	37.0
95.04975	17.1
95.08624	13.0
97.02894	2.8
97.06546	3.7
97.10157	4.6
98.97589	30.4
101.06026	2.1
103.05459	2.3
105.06405	2.8
105.07046	25.1
107.04943	4.8
107.08600	21.1
109.02863	2.7
109.06525	50.8
109.10175	8.0
111.04456	2.7
111.08125	7.5
113.06015	12.8
115.05464	1.8
116.98648	7.6
117.07019	7.2
118.90563	1.5
119.08585	23.6
121.06516	52.6
121.10148	17.9
123.04415	5.2
123.08068	15.2
123.48523	1.7
125.09608	3.6
128.06183	2.5
129.07007	3.2
131.06923	9.3
131.08560	8.0
133.10144	27.3
135.07112	2.6
135.08070	30.0
135.11693	9.3
137.06027	1.8
137.09616	18.7
139.07561	7.8
143.08592	3.0
144.09323	4.9
145.06534	1.9
145.10138	15.0
146.07274	2.4
147.08052	7.4
147.11566	2.4
149.02307	5.6
149.05988	4.0
149.09631	100.0
149.13217	3.3
151.11188	9.3
153.09099	3.3
158.99673	13.5
159.06323	3.4
159.11723	18.6
161.09651	23.9
162.03555	1.9
163.07568	3.0
163.11209	17.5
165.09125	14.4
167.07030	7.4
167.66797	1.7
172.08804	3.7
175.07544	2.3
175.11180	4.2
177.00766	8.3
177.07425	10.9
177.08908	2.4
177.12778	22.0
179.03580	2.1
179.10678	37.6
181.12215	3.1
187.11197	16.4
190.09756	2.0
193.12294	3.4
202.06735	4.0
203.07501	7.2
205.08405	3.6
205.12257	46.0
209.15298	2.3
211.07243	1.8
214.08644	2.0
223.02477	13.6
223.05884	9.6
223.09535	4.6
223.13283	54.1
223.16676	2.1
225.04195	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	222.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45628	0.6
69.81390	4.1
71.07377	1.5
85.02886	1.2
86.09704	12.0
98.97546	1.2
106.34097	0.8
140.33907	0.9
141.03082	1.7
162.94621	16.0
167.61693	0.7
170.47615	0.8
172.13235	0.8
204.19049	1.0
222.01990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05513	62.0
56.96563	3.5
57.03437	0.4
57.07080	0.5
58.99595	3.4
59.39747	0.3
61.02933	0.7
67.05510	0.7
69.03442	0.8
69.52361	3.0
70.06625	0.4
71.04964	0.5
73.02921	0.5
76.02225	1.7
79.05489	0.6
80.69038	0.4
81.03427	0.5
81.07050	1.0
83.08620	100.0
85.02918	1.1
86.99050	5.0
91.05474	1.3
93.07040	0.4
93.38987	0.4
95.04964	0.5
97.02926	1.1
98.97591	7.5
101.09657	15.3
103.05491	0.6
105.00092	7.4
105.07048	0.9
107.04959	1.0
108.04346	0.4
108.05259	0.5
116.98594	2.6
117.07033	0.5
118.04139	0.5
118.06551	0.7
119.08604	0.5
120.08112	2.6
121.06519	1.0
122.02724	1.4
127.03899	0.5
128.02321	0.4
130.06531	26.6
131.04924	1.5
132.04442	4.5
132.05295	0.8
133.02814	0.5
134.04716	0.4
134.77556	0.4
134.99617	0.9
137.05983	0.9
140.00182	0.5
146.05930	0.6
148.07558	8.6
149.05980	0.7
158.06012	9.7
158.99625	1.6
159.08340	1.0
161.05933	0.9
162.06337	4.2
164.03003	0.8
171.01999	0.4
171.54285	0.5
172.04774	0.5
173.03537	0.6
173.05487	0.6
176.07056	27.2
177.00648	1.0
178.53160	0.5
179.00102	0.6
179.77693	0.4
186.04361	0.5
187.07822	0.9
187.53679	0.6
192.05453	1.0
195.04872	2.9
199.02682	0.5
201.05840	1.4
201.56049	0.8
204.07446	1.9
205.08948	20.5
211.07281	0.6
216.97800	0.6
222.07846	2.6
222.11409	4.6
225.00584	1.0
239.05821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03932	2.2
55.05505	7.4
56.23019	1.7
57.07067	4.2
64.48006	1.5
67.05502	8.2
69.07065	8.6
69.70057	8.3
69.70457	3.4
71.04993	21.4
72.65051	1.5
79.05499	19.8
81.07058	71.6
83.04931	1.9
83.08614	4.1
91.05470	9.6
93.07043	37.1
95.08611	30.0
97.06529	2.6
97.10158	2.0
99.08097	4.7
105.07030	21.6
107.08597	58.6
109.06526	2.1
109.10164	22.4
111.11644	1.8
113.09683	1.9
117.13999	1.6
119.08578	41.7
119.09367	2.9
121.10149	8.6
123.11723	17.6
127.11189	9.6
131.08565	1.6
133.10127	27.9
135.11693	100.0
137.13310	3.0
145.34970	1.9
147.11687	18.8
149.13275	6.8
151.11211	2.5
161.13271	10.9
163.14781	4.3
165.12785	2.4
175.14804	3.1
203.17955	34.3
221.11668	2.6
221.15544	2.4
221.19022	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03945	1.5
55.05512	7.6
57.07083	1.7
64.60954	1.5
67.05499	7.0
69.07069	12.8
70.79272	3.5
71.04994	27.3
79.05496	17.7
81.07059	100.0
83.08620	2.4
91.05492	10.4
93.07051	35.8
95.04958	1.7
95.08608	21.1
97.06541	3.3
99.08096	4.4
105.07036	41.7
107.08598	45.2
109.09476	2.1
109.10165	29.3
111.08083	1.7
111.11694	1.8
113.09639	1.9
117.07024	1.6
119.07702	2.1
119.08588	74.9
121.10158	10.0
123.11716	13.5
127.11186	12.9
133.10115	15.9
135.11699	78.1
147.11694	22.3
149.13272	8.8
161.13264	8.1
163.14818	4.9
165.12782	1.4
175.14851	3.2
203.17958	35.4
203.19760	2.8
221.19031	47.4
236.74837	1.4
242.13089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05515	7.2
57.07070	1.6
67.05497	5.6
69.07056	8.0
69.82574	6.4
71.04995	12.3
77.03896	1.1
79.05498	14.8
81.07062	66.6
83.08614	3.1
83.47098	1.2
91.05476	6.3
93.06488	2.0
93.07056	29.1
95.08611	17.9
97.06482	1.8
97.10161	1.6
99.08089	4.5
105.07030	15.7
107.08601	50.9
109.10172	14.8
111.08099	1.4
113.09659	1.3
119.08591	33.6
121.10159	3.3
123.11730	14.2
127.11159	6.5
133.10144	18.8
135.11697	100.0
145.10124	1.7
147.11699	12.5
149.13240	3.4
151.11215	1.3
161.13268	8.0
163.14824	2.7
175.14835	1.6
203.17963	25.3
210.89832	1.1
221.19023	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05517	6.8
66.18544	1.3
67.05499	5.8
69.07058	6.2
71.04983	15.8
71.05363	2.8
75.72229	1.4
79.05498	14.7
81.07060	69.3
83.08608	3.3
89.38247	1.4
91.05476	10.5
93.07050	36.0
93.89065	1.4
95.08607	17.7
97.06564	1.9
97.10123	1.6
99.08085	3.2
105.07045	19.0
107.08598	55.5
109.10162	14.7
114.09191	1.4
119.07809	2.8
119.08591	34.1
121.10135	4.7
123.11718	15.1
124.35456	1.5
127.11201	7.7
133.10138	21.5
135.11697	100.0
137.09607	2.1
137.13275	1.8
145.10138	1.9
147.11707	16.7
149.13235	5.7
153.12741	2.3
161.13275	8.0
163.14856	2.2
165.12715	2.3
175.14758	3.4
185.96295	1.8
203.17969	33.6
221.19029	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.66283	1.5
53.03936	2.2
55.01855	1.6
55.05508	11.5
56.96563	2.6
57.07069	5.7
65.03953	2.3
67.05502	10.6
69.03411	2.2
69.07066	14.2
70.07459	1.5
71.04721	1.6
71.05001	16.9
71.57117	3.3
76.23271	2.0
79.05491	17.8
81.07059	91.0
83.04995	4.0
83.08610	4.7
85.06549	4.0
90.05584	1.9
91.05492	14.7
93.07044	39.0
95.04994	2.3
95.08611	35.5
97.06539	3.2
97.10207	2.6
98.97606	5.2
99.08087	4.0
102.67459	1.6
103.05454	2.0
105.07030	31.8
107.08602	58.8
109.06517	2.7
109.10153	25.2
111.08075	5.4
111.11704	2.5
117.07007	3.2
118.06506	2.4
119.06861	2.7
119.08592	46.9
121.06528	2.7
121.10159	13.1
123.08072	4.2
123.11701	14.1
127.11204	8.8
129.06982	1.7
131.04941	2.4
131.08546	3.0
133.06490	3.2
133.10141	24.2
135.08142	2.3
135.11696	100.0
135.67848	2.0
137.06053	1.4
137.09634	3.7
137.13272	3.1
138.06241	1.9
145.10139	4.1
147.11690	26.1
148.18129	1.7
149.13260	6.0
151.11107	2.3
151.14815	1.9
157.10117	2.7
161.05977	3.9
161.09650	2.0
161.13263	17.2
163.09541	3.0
163.14816	4.6
170.85730	1.7
171.08080	1.8
175.07565	4.0
175.11307	1.9
175.14812	4.0
175.39459	1.9
177.14670	11.4
177.16292	3.1
177.51500	1.6
191.12712	1.8
193.16110	1.9
203.07071	2.6
203.10716	3.7
203.14348	3.8
203.17972	37.8
221.04367	3.8
221.08113	5.7
221.11681	4.4
221.15433	6.0
221.17293	59.7
221.19078	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03949	4.9
55.01876	4.6
55.05507	11.9
56.96566	1.2
57.07065	3.5
59.05006	1.9
65.03933	2.6
66.55669	0.7
67.05505	18.9
67.19230	0.8
69.03432	17.7
69.07072	13.6
70.78278	2.3
71.01351	4.5
71.04990	6.8
71.08613	1.0
77.03896	1.0
79.05494	27.2
81.07059	48.6
83.04981	11.4
83.08618	5.3
85.06539	1.4
85.88319	0.8
91.05482	47.7
93.07046	42.3
95.04976	10.8
95.08610	19.1
95.09167	0.6
97.06551	2.2
97.10175	1.5
99.08108	2.1
103.05474	2.1
104.06279	1.3
105.04527	2.0
105.07034	41.5
107.04971	4.0
107.08597	39.8
109.06530	7.7
109.10155	11.1
111.08081	5.8
113.09686	0.8
115.05441	2.0
117.07018	9.8
119.04964	4.6
119.08582	100.0
121.06501	2.0
121.10143	11.1
122.07320	1.3
123.08087	5.1
123.11707	7.2
125.09642	2.0
127.11221	1.8
128.06239	2.9
129.06995	3.6
130.07820	0.8
131.08572	5.3
132.05708	1.5
133.06494	4.7
133.10127	29.6
135.08037	4.7
135.11691	43.3
137.05995	14.1
137.09621	11.2
137.13290	1.5
139.11287	0.8
142.07751	2.0
143.01955	1.1
143.08568	5.1
144.09355	1.3
145.06453	1.0
145.10098	5.6
147.04422	1.3
147.08047	23.0
147.11681	11.7
149.09610	2.7
149.13243	1.7
151.07547	2.5
155.08611	1.9
157.01846	0.7
157.10164	4.6
159.08102	1.1
159.11671	5.0
160.12578	0.8
161.09624	9.9
161.13264	26.2
163.11232	1.7
163.14815	1.7
165.09218	1.0
168.75621	0.8
170.10893	4.0
173.09607	1.5
175.02769	0.9
175.11177	2.3
175.14799	7.6
177.16277	0.9
179.10675	0.7
185.13307	4.6
188.11958	2.6
188.85626	0.8
203.14307	15.6
203.17957	14.7
221.15369	58.4
221.18817	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	2.4
55.05516	9.5
57.07082	2.5
57.85423	1.6
67.05501	7.6
69.07067	20.0
69.48572	11.6
70.97144	1.8
71.04993	21.3
79.05495	18.1
81.07056	89.7
83.04957	2.2
83.08604	3.0
91.05499	11.0
93.07047	45.2
95.08611	21.1
97.06511	1.8
97.10150	2.9
98.03100	1.8
98.97571	4.4
99.08084	3.7
100.24671	1.8
105.07030	30.0
107.08599	54.9
109.10152	23.1
111.08067	2.7
111.11713	7.8
112.62611	1.5
117.06999	2.1
119.08582	51.1
121.10151	11.3
123.11717	13.1
125.09566	1.7
127.11165	11.7
133.10130	24.7
135.11693	100.0
137.09602	3.5
139.11195	2.2
147.11674	21.5
149.13275	6.6
158.99680	2.1
161.13275	8.4
163.14812	6.0
175.14857	3.1
177.00700	1.9
177.16479	2.4
203.17970	34.7
221.15515	3.1
221.19012	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.05031	0.6
55.01880	1.6
57.07083	5.5
59.05007	4.2
67.05512	4.9
69.07066	4.1
69.95034	1.6
69.95432	1.0
70.02955	7.4
72.04521	16.4
73.02927	2.9
74.02459	1.8
81.07075	0.7
83.04980	1.2
85.06551	10.9
86.09727	1.4
87.08099	1.3
90.05560	100.0
91.43809	0.6
93.23852	0.5
95.04978	6.2
96.08138	2.1
98.02421	16.7
100.04003	2.0
103.07589	6.9
112.07557	0.9
113.06007	2.9
116.03464	13.4
118.92609	0.6
124.07597	16.9
131.06976	0.9
142.08621	7.3
156.10204	0.9
158.11766	0.9
160.09697	1.5
166.08643	1.2
174.11267	2.5
179.89752	0.6
184.09702	19.9
202.08842	1.5
202.10753	30.3
220.11809	41.1
220.17766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.96566	0.2
57.07086	0.2
57.34061	0.1
58.42565	0.1
67.05508	0.2
69.07073	0.3
69.60722	0.8
71.93592	0.1
72.04496	0.2
73.10503	0.1
75.92585	0.1
79.05496	0.2
81.07061	0.5
90.05563	0.9
91.05500	0.2
93.07051	0.3
95.05003	0.2
95.08624	0.3
98.02433	0.2
98.97592	0.4
99.21595	0.1
105.07021	0.4
106.07355	0.3
107.08565	0.3
108.08897	0.1
109.10120	0.2
109.30759	0.1
116.98647	0.1
118.06543	7.6
119.07318	0.3
119.08572	0.3
120.08112	0.1
120.08867	0.3
123.11758	0.1
129.06900	0.1
131.07230	0.1
132.08081	2.3
132.08936	0.2
133.08864	1.0
133.09872	0.2
134.09633	0.5
134.10515	0.2
142.07332	0.1
144.08078	0.2
145.10129	0.1
146.09625	2.6
147.10423	0.4
148.11188	0.1
158.99634	0.2
160.08350	0.2
160.11133	0.2
160.12215	0.2
162.09142	4.6
175.07140	0.2
176.10786	3.0
176.14349	25.0
177.11490	1.3
177.14749	0.2
178.09500	0.2
184.09666	0.2
190.09462	0.3
190.12244	2.8
191.12917	0.2
192.17578	0.1
199.08032	0.1
202.10847	0.2
202.15782	0.7
204.14102	0.2
205.15877	0.5
220.16960	100.0
221.17287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03936	2.4
55.05509	7.6
56.96558	1.6
57.07071	1.2
59.05001	0.7
61.10611	0.8
67.05512	7.7
69.07068	5.4
69.26131	0.7
69.56514	5.9
71.04993	12.5
79.05493	15.7
81.07063	22.1
83.04971	2.1
83.08601	1.6
85.06549	1.3
91.05482	26.6
93.07050	17.6
95.04974	1.8
95.08059	1.1
95.08607	10.7
97.06538	5.6
98.21539	1.9
98.97584	8.3
103.05406	1.0
105.07034	69.1
107.08576	15.6
109.06548	2.2
109.10152	9.2
111.08099	1.5
115.05460	1.5
116.06254	1.0
116.98612	1.9
117.07017	6.6
118.07877	1.5
119.08583	14.1
121.06519	3.1
121.10149	9.5
123.04468	1.7
123.08035	2.5
123.11668	2.1
125.09627	17.6
127.11233	1.0
129.06998	2.8
130.07799	2.0
131.08575	16.4
133.10133	100.0
135.08087	1.8
135.11708	4.1
138.21535	0.9
139.11217	1.5
141.07028	1.3
144.09364	1.6
145.06532	2.3
145.10126	15.4
147.11696	9.9
149.09589	1.8
149.13271	1.7
151.11108	1.2
157.06505	1.7
158.99678	1.1
159.08104	5.0
159.11697	16.0
161.13252	7.8
163.11223	2.1
172.02869	0.9
173.09586	1.1
173.13283	3.8
174.06796	3.0
175.14861	1.9
177.00633	0.9
177.12875	1.6
186.06715	0.9
189.09137	4.6
191.17899	1.0
201.09094	1.9
201.12720	1.7
201.16383	16.0
203.14330	2.4
219.10156	7.9
219.13934	1.7
219.17461	38.4
219.21475	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	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
51.01633	1.1
53.03936	1.6
55.05505	5.9
57.07064	3.5
62.01430	1.1
67.05513	8.2
69.07066	6.8
69.50312	6.0
70.06588	2.8
71.04995	10.3
71.06921	1.6
71.08607	1.3
79.05499	12.4
81.07060	27.0
83.04975	2.0
83.08607	2.4
85.06509	1.2
86.55510	1.1
88.07627	3.1
89.07960	1.6
91.05487	26.0
93.07045	20.2
95.04959	2.0
95.08611	10.9
97.06528	5.3
98.76382	0.9
98.97605	2.7
103.05470	1.3
105.07036	66.3
106.08656	1.1
107.08569	14.1
109.06512	2.0
109.10159	8.7
111.56224	1.0
115.05446	3.9
116.06215	1.2
117.07000	5.2
119.08587	15.1
121.06517	1.9
121.10151	10.8
123.08073	2.5
123.11716	2.7
125.09634	19.5
128.06216	2.9
129.07014	13.3
130.07803	1.7
131.08582	22.2
133.10141	100.0
135.11681	4.1
137.05914	1.0
137.09586	1.5
141.07002	9.2
143.08601	1.1
144.05734	1.6
145.06465	2.6
145.10135	12.8
147.11708	12.1
149.09605	1.5
149.13303	1.8
157.06485	6.2
157.10095	1.4
158.07272	6.1
158.10919	1.2
158.99821	1.1
159.08098	7.3
159.11690	16.5
161.09656	2.1
161.13255	9.5
163.11134	3.8
169.06459	4.1
169.07706	1.7
169.89514	1.0
170.07286	1.5
173.05917	1.1
173.13278	2.3
174.06784	22.8
175.07510	2.5
175.14809	3.1
177.12784	1.8
177.16373	1.4
186.06801	4.9
188.08295	1.3
189.09128	27.6
191.10641	1.8
191.17886	1.3
201.09155	12.0
201.16377	16.5
201.20441	2.9
203.14258	1.7
205.76465	1.2
219.10173	36.1
219.15488	2.1
219.17471	32.8
219.21483	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03937	2.2
55.01894	1.0
55.05509	8.1
56.96566	3.1
57.03437	2.1
57.07074	2.7
64.37227	0.8
65.03941	1.0
67.05179	1.1
67.05509	17.3
69.03421	2.2
69.07069	10.2
71.04994	4.0
71.08644	1.0
71.27312	1.8
79.05496	14.0
81.07060	45.5
83.04991	2.5
83.08611	3.4
85.06536	1.3
91.05484	18.4
93.07047	31.1
95.04954	3.6
95.08614	32.0
97.02891	0.9
97.06530	7.9
97.10169	1.8
98.97585	17.5
103.05491	1.2
105.03373	1.4
105.07034	51.8
107.07872	1.9
107.08599	31.6
109.06494	4.4
109.10169	22.3
110.97588	1.1
111.08090	3.9
115.05443	2.2
116.06275	1.1
116.98643	4.9
117.07039	8.6
119.04951	2.2
119.08591	27.7
121.06535	4.8
121.10148	22.0
123.04437	0.9
123.08087	6.2
123.11702	5.6
125.09639	3.9
128.06207	2.0
129.07025	7.6
130.07788	2.8
131.04912	3.1
131.08578	28.7
133.06479	0.8
133.10139	22.7
134.99686	1.4
135.08061	3.6
135.11700	13.3
137.05933	1.1
137.09613	2.2
139.11234	1.3
141.06985	5.6
142.07892	0.8
143.08572	3.3
144.05750	1.2
144.09325	3.4
145.06395	2.0
145.10132	40.4
146.07248	1.5
147.04395	6.3
147.11713	12.2
149.05989	1.3
149.09615	3.5
149.13254	3.3
151.11157	2.7
154.93158	1.0
157.06490	3.7
157.10164	3.0
158.07344	4.1
158.10918	1.1
158.99643	3.8
159.08067	5.3
159.11703	35.9
160.05196	1.2
161.09616	1.6
161.13261	32.5
163.11212	5.0
163.14810	3.8
169.06435	2.4
169.07808	1.1
173.05954	1.8
173.09642	1.2
173.13297	9.9
174.06789	11.7
175.07536	3.1
175.14796	5.7
176.14325	1.1
177.00723	2.8
177.12767	2.8
177.16403	1.2
183.11732	1.2
186.06775	3.2
187.07512	1.4
189.09129	14.8
189.16415	1.2
191.07089	1.2
191.10728	1.8
191.14276	2.0
191.17935	5.4
201.05304	1.0
201.09059	6.5
201.16389	49.9
203.14281	5.9
219.06543	3.3
219.10133	24.9
219.13831	5.2
219.17453	100.0
220.16922	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	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03913	0.9
54.05803	0.8
55.88424	0.8
56.85299	0.7
57.03409	1.0
63.20653	0.9
67.05505	1.8
70.71387	1.8
71.04983	1.2
74.04739	0.8
80.60181	1.0
81.07033	2.4
83.55479	1.0
83.99557	1.0
91.05493	7.7
93.07042	1.3
95.08614	2.4
98.97589	4.9
103.05476	2.0
105.07037	3.5
107.08624	1.3
115.05480	6.7
116.06236	2.7
117.06997	2.0
119.08572	2.7
121.10201	1.7
128.06235	8.6
129.07019	34.1
130.07808	1.9
131.04932	5.7
131.07605	1.4
131.08580	27.8
133.10118	5.3
135.11729	0.9
137.05971	2.5
141.07004	27.6
142.07805	1.2
143.04951	1.8
143.08536	2.5
144.05719	3.8
145.06528	6.0
145.10094	1.6
146.07260	2.9
155.06090	1.5
156.05656	0.9
157.06516	17.0
158.07294	15.5
158.99750	1.1
159.04402	2.4
159.08084	21.6
159.11638	2.1
160.05212	4.4
161.09647	2.7
163.07544	1.8
169.06496	11.0
169.07748	0.8
170.07272	5.2
173.05991	3.4
173.09743	1.5
173.13275	1.3
174.06784	58.2
175.07542	9.8
186.06784	15.3
187.07690	1.3
188.08345	3.4
189.09125	79.2
190.09544	0.9
191.10664	7.2
201.09109	33.4
201.16495	1.0
219.10182	100.0
219.17392	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	219.1744
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
53.03943	0.8
55.01871	1.1
55.05514	4.4
56.73817	0.6
56.96332	0.6
56.96566	7.1
57.03426	1.2
57.07056	2.0
59.04984	1.3
59.39190	0.6
67.05506	9.3
69.03412	1.6
69.07067	23.7
69.29708	5.5
70.20218	0.6
71.04995	4.5
74.51666	0.6
79.05495	4.0
79.89816	0.6
81.07059	12.9
82.31775	0.7
83.04977	1.4
83.08608	3.4
84.77927	0.6
85.06529	2.8
86.75697	0.6
86.82693	0.6
91.05482	4.7
92.99891	0.6
93.07042	11.7
95.04961	2.9
95.08606	20.1
97.06519	1.7
97.10146	2.0
99.08096	0.7
103.05487	0.6
105.07035	17.2
105.07758	0.8
107.04961	0.8
107.08594	16.1
109.06520	3.8
109.10156	19.0
111.08062	1.7
111.11725	0.7
115.05509	0.7
117.07026	3.7
118.54838	0.5
119.08587	18.7
121.06506	1.9
121.10144	15.9
123.08028	2.0
123.11719	6.0
125.09621	2.0
129.06947	0.9
130.07831	1.5
131.08582	5.2
133.10127	8.7
135.08063	3.7
135.11690	12.1
136.92152	0.9
137.09622	9.0
137.13249	3.0
143.08638	0.9
145.10123	16.3
147.08075	0.8
147.11679	4.7
149.09633	7.5
149.13272	4.2
151.11185	1.9
154.93199	3.2
159.11699	8.5
161.13251	8.8
163.11198	13.0
163.14813	1.1
172.12508	0.7
172.94258	8.3
173.13268	3.1
175.14835	6.1
177.12715	3.9
177.16377	1.2
189.09190	1.1
189.12741	1.3
190.95302	6.7
191.17961	7.2
195.95827	3.4
201.16382	15.1
203.14326	7.2
213.96898	3.4
219.06923	1.6
219.17441	100.0
220.17825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03437	0.9
60.90504	0.7
67.05499	0.8
68.00890	0.7
70.86975	1.6
91.05497	6.1
95.04938	1.2
98.97591	4.5
103.05469	2.2
105.07018	1.7
115.05443	4.9
116.06237	2.2
116.98658	1.2
117.07018	2.0
119.08577	1.2
121.10148	0.9
121.90448	0.8
128.06241	6.5
129.07019	29.9
130.07739	1.7
131.04938	5.6
131.08569	29.2
133.10056	1.1
137.05974	3.5
141.06990	27.6
143.04942	1.5
143.08571	1.5
144.05710	4.5
145.06451	4.8
145.10161	1.0
146.07257	3.8
155.06087	1.0
156.05774	1.1
157.06491	17.3
158.05974	1.2
158.07286	17.6
158.99701	0.9
159.04442	2.9
159.08070	21.0
160.05235	3.7
161.05981	2.2
161.09627	3.0
163.07530	1.5
169.06476	12.3
169.07796	0.8
170.07285	5.4
171.08040	1.4
173.05977	4.2
174.06772	55.9
175.07549	8.4
176.08263	1.0
185.05867	1.1
186.06743	13.9
187.03842	0.8
187.07515	1.9
188.08394	3.8
189.09116	75.0
191.07001	1.1
191.10692	5.4
201.07289	1.8
201.09117	30.3
203.14293	1.9
219.10165	100.0
219.17378	6.0
220.10286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05509	1.0
56.96566	15.1
57.03430	2.1
60.04505	0.5
60.95824	0.3
61.02934	3.9
69.03433	2.2
69.50404	0.8
69.50818	1.2
70.98108	2.7
71.01357	1.4
71.04979	0.6
71.95262	1.6
72.08157	1.0
73.02914	2.1
74.06071	1.1
74.97631	0.3
81.03443	0.7
81.07031	0.4
82.01454	0.7
82.99874	0.6
83.04984	0.7
84.04503	0.4
84.08141	0.6
84.96038	1.0
85.02907	3.5
86.09707	5.6
86.99291	0.3
87.04483	0.5
87.69005	0.3
88.99148	0.9
91.05471	0.4
91.45394	0.3
97.02896	2.5
98.21467	0.6
98.97584	100.0
99.04451	0.9
99.97914	1.5
100.02498	0.7
100.99135	0.6
101.00886	3.9
103.00627	0.5
103.03929	0.5
106.00989	0.4
107.04930	0.4
107.27078	0.3
109.02881	0.4
110.01262	0.9
110.97567	6.7
111.02948	0.7
112.99125	1.9
113.00840	0.7
113.02361	0.7
115.00713	2.1
115.02429	1.5
116.98621	43.3
117.98980	0.6
118.01013	0.5
118.03518	0.5
119.00172	0.4
119.01916	5.1
119.62717	0.3
121.01667	0.7
124.95483	0.4
124.99091	0.4
125.01729	0.4
127.01543	0.7
127.02403	0.5
127.03902	1.7
128.98602	4.8
129.02213	1.3
129.03963	0.4
131.00200	1.9
131.01854	2.0
131.03409	0.6
133.01695	1.4
133.03456	2.7
134.99651	10.8
135.03119	0.4
136.93068	0.5
137.03017	0.5
138.05179	0.3
140.00203	1.0
140.02339	0.5
140.98654	0.7
141.02164	0.4
143.00174	0.8
143.01918	1.7
145.01636	0.5
145.03439	0.8
145.04976	0.5
146.04092	0.4
146.99631	2.7
147.03181	1.5
148.03859	0.4
149.01189	0.7
149.02885	0.6
153.00766	0.5
153.04076	0.4
154.03850	0.9
154.94139	0.8
155.00151	0.5
155.01811	0.6
155.02892	0.6
155.04654	1.1
156.07478	0.3
157.01666	0.4
158.01234	0.5
158.99643	7.2
159.01074	0.5
159.03119	1.6
159.04936	0.5
161.01158	0.7
161.02927	2.2
161.04657	0.4
163.04410	0.7
165.00735	0.9
168.01790	0.6
168.03635	0.5
169.04457	0.5
170.99620	1.4
171.05066	2.1
172.95285	0.6
172.99297	0.4
173.01205	1.2
173.02940	1.7
173.06499	0.4
174.99161	0.6
175.00757	0.4
175.02864	0.6
175.04459	0.8
177.00723	16.3
177.04266	4.4
182.99651	0.4
187.00900	0.5
189.00739	2.2
189.06079	0.8
191.00436	0.4
191.02165	0.8
191.03955	0.5
195.01778	4.6
195.05363	1.4
196.00923	1.2
196.02811	0.4
196.04570	0.9
201.00674	1.3
201.02440	2.6
201.06018	0.5
203.03999	0.4
203.14224	1.0
207.01752	0.7
219.01724	4.9
219.03506	2.0
219.05287	2.3
219.07129	8.4
219.13403	0.4
219.17424	4.5
228.60486	0.3
237.02832	4.3
237.06306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98680	0.6
55.01861	1.0
55.05513	1.2
56.45238	0.7
56.96564	13.7
57.03422	2.6
58.78803	0.7
61.02935	4.0
69.03414	2.3
70.07684	2.5
70.98124	1.1
71.04999	2.1
71.95269	0.9
72.04514	1.2
72.08160	1.2
73.02914	3.5
74.06070	1.1
81.03432	1.2
83.04969	1.8
84.04501	1.0
84.05258	0.9
84.08144	1.9
84.96054	0.8
85.02913	5.2
87.00887	0.7
87.04498	0.8
97.02882	3.1
98.04569	0.7
98.97585	100.0
99.04459	1.8
101.00882	2.8
102.05523	0.6
105.03394	2.2
110.97585	3.0
111.04446	1.1
111.97961	0.8
112.04755	1.7
113.00822	0.8
115.02444	1.2
115.03994	0.7
116.98621	44.3
117.03986	0.9
119.01886	3.0
120.02044	0.8
127.03908	2.3
128.07092	1.0
128.98639	2.0
130.05023	2.2
131.00128	0.7
131.01846	1.6
133.03481	1.4
134.99664	12.9
137.05931	0.7
137.85823	0.7
138.08842	0.7
140.00183	5.4
143.01912	1.3
145.01694	0.7
145.03403	1.2
146.05022	0.8
146.99678	0.8
153.00740	1.0
154.03853	1.4
156.06372	3.2
156.98207	0.9
158.01237	6.7
158.99695	3.9
159.05167	0.8
161.02925	1.0
163.04071	0.7
164.03421	0.9
172.06085	1.6
173.02971	1.4
174.03577	1.2
174.08391	1.5
174.99216	1.7
175.99506	1.0
176.02214	1.5
177.00725	15.4
177.02220	1.4
177.04037	1.6
187.00961	0.7
194.00560	1.2
194.05217	2.1
195.01776	5.6
200.05632	0.9
201.02434	1.1
218.06654	4.2
218.11156	1.9
218.13712	0.8
219.01665	0.9
219.03583	1.2
236.06253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06958	0.8
53.03951	1.1
55.01877	4.9
55.05513	2.7
56.05032	1.1
56.96568	100.0
57.03436	16.6
57.97375	0.8
58.06607	1.0
58.96162	0.9
59.05002	2.4
60.95854	2.4
61.02929	27.8
62.03280	1.4
67.05498	1.3
68.00243	1.4
68.99796	0.9
69.03433	21.0
69.07076	2.4
69.84618	3.3
70.03785	0.9
70.06596	4.2
70.98123	15.8
70.99863	1.3
71.01337	1.6
71.04984	3.6
71.95277	6.0
72.08165	3.3
72.96053	2.0
73.02920	19.2
73.06553	0.9
74.00275	3.0
74.03249	0.9
74.97616	2.8
75.04491	1.4
77.00851	1.0
79.05515	1.3
81.01048	1.2
81.03422	7.4
81.04552	1.0
82.01454	2.2
83.00794	10.3
83.04996	2.2
84.08149	4.0
84.35907	0.6
84.96027	8.4
85.01435	0.8
85.02908	30.2
85.69112	0.6
86.00217	0.7
86.03247	1.6
86.09716	8.7
87.01055	0.8
87.04475	3.4
88.00026	0.7
88.07690	0.9
88.99165	7.5
89.00781	3.2
90.01530	4.2
91.00545	1.3
91.02394	0.9
91.03963	2.1
91.05523	1.5
92.00217	0.8
92.01304	5.2
93.07074	1.3
95.00781	3.2
95.01347	0.8
95.05006	1.2
95.08631	0.8
96.01577	2.3
96.20647	0.7
97.00561	1.4
97.02342	1.4
97.02896	22.9
97.06531	1.9
97.96838	3.0
97.99210	2.2
98.01321	1.9
98.03259	2.3
98.06078	0.9
98.21489	1.0
98.51465	0.7
98.97588	83.2
99.02113	1.3
99.04458	5.8
99.97904	4.7
100.02473	6.6
100.97230	1.1
100.99146	12.6
100.99743	0.8
101.00863	13.3
101.02454	1.3
102.01567	1.9
102.02332	0.8
102.96935	3.1
103.00591	2.2
103.02454	2.1
103.03973	1.6
103.05448	0.9
104.01283	14.0
104.01934	1.1
104.03100	1.0
104.51508	0.8
105.00252	0.6
105.02110	1.8
106.01054	1.8
106.02911	1.0
107.00193	1.2
107.04963	10.5
107.08598	0.6
108.01559	1.8
108.96075	0.8
109.00507	1.5
109.02907	5.4
109.50919	1.1
110.01288	8.2
110.03108	1.3
110.07197	1.4
110.51470	1.2
110.97575	16.3
111.02082	3.4
111.04441	0.7
112.01033	2.4
112.02901	1.0
112.07630	1.3
112.99134	9.0
113.00975	0.9
113.01790	21.3
113.03545	1.3
113.52001	1.2
114.04063	3.0
114.96935	0.8
115.00702	2.3
115.02449	4.0
115.03967	1.9
115.97844	1.6
116.00276	0.9
116.01294	1.4
116.98626	34.9
117.00272	1.3
117.01922	3.5
117.98931	3.8
118.01032	4.9
118.03536	5.4
118.51399	1.3
118.53754	0.8
119.00185	5.9
119.01888	35.7
119.03627	1.2
119.51994	2.8
120.00770	0.7
120.02740	3.3
120.97990	1.2
121.01553	2.8
121.06533	4.9
121.52155	1.0
122.01412	0.9
122.02329	13.1
122.07182	1.8
123.00280	2.7
123.02125	1.0
124.01033	1.9
124.02859	0.8
124.52607	0.8
124.95502	1.8
124.99152	1.6
125.01823	1.9
126.00775	1.5
126.02579	1.5
126.82664	0.7
126.97038	3.8
127.00723	2.0
127.01588	1.5
127.02486	1.0
127.03956	10.5
128.02327	7.3
128.04288	1.6
128.52509	3.3
128.98615	25.0
129.02234	1.3
129.03134	4.7
129.03979	1.1
129.98978	1.0
130.00986	1.1
130.01892	1.2
130.02783	1.3
130.93320	1.0
131.00182	13.6
131.01819	6.9
132.00763	6.4
132.02602	2.7
132.03497	1.0
132.05136	2.4
132.97972	1.9
133.01625	9.2
133.03415	7.2
133.04088	1.0
133.05125	1.3
133.06097	1.2
134.02295	1.6
134.99661	12.3
135.03189	1.5
136.07564	1.4
137.01912	1.1
137.02910	7.2
137.06029	1.1
137.53040	1.6
138.00806	2.0
138.02605	1.6
139.01573	3.3
139.03375	1.6
140.00389	1.3
140.02324	9.1
140.03252	1.0
140.98639	2.1
141.01320	2.3
141.03099	7.9
141.04042	1.2
141.53300	2.9
142.01833	3.3
142.03593	1.0
142.96574	2.1
143.00153	5.2
143.01891	4.9
144.00720	1.1
144.04909	1.1
144.98103	6.8
144.99889	2.1
145.01628	7.0
145.03413	6.1
145.04999	2.6
146.02338	4.9
146.52548	0.9
146.99661	24.7
147.01320	5.4
147.03105	3.9
147.05064	2.0
147.53339	0.8
147.99963	1.1
148.02094	4.3
148.03864	17.5
148.04901	1.4
148.54053	1.4
149.01225	10.2
149.02885	4.5
149.05983	9.2
149.06937	0.8
150.01842	1.7
150.03677	2.7
150.99104	1.4
151.02776	3.0
152.02454	1.7
152.05830	0.7
152.98680	1.0
153.01346	3.6
153.03096	1.4
153.04129	0.8
153.55969	0.8
154.02003	8.0
154.03856	4.0
154.52284	1.2
155.00223	1.6
155.01839	1.6
155.02914	3.5
155.04715	2.9
156.01895	2.2
156.03653	1.0
156.05098	2.3
156.53876	0.8
157.03490	1.9
157.04552	3.2
158.99664	12.5
159.03247	1.5
159.05034	0.9
160.00117	1.1
160.02882	2.2
160.06454	0.8
160.97624	1.5
161.01256	4.6
161.02960	5.3
161.04710	1.2
161.53159	0.8
162.01819	9.0
162.03101	1.2
162.52071	0.8
162.99147	7.5
163.02760	8.7
163.04489	10.4
163.54539	0.8
164.02303	1.4
164.05299	0.7
165.00740	14.0
165.04422	0.9
165.52902	0.9
167.02393	1.2
167.07024	0.8
168.01920	4.6
168.03665	8.2
168.05080	1.6
168.08696	0.7
168.99944	0.8
169.02663	2.4
169.04494	3.3
170.03404	2.9
170.05206	2.3
170.96107	0.9
170.99730	3.2
171.02400	2.0
172.01559	1.2
172.02919	4.1
172.04561	0.7
172.94308	1.0
172.95546	0.8
172.97572	9.5
172.98878	1.0
173.01297	6.4
173.02994	4.4
173.06673	1.1
173.52660	1.2
174.04410	1.8
174.99063	3.4
175.02762	5.0
175.04552	1.6
176.01860	1.2
176.03308	5.1
177.00798	10.5
177.02448	7.8
177.04230	9.0
178.03203	1.4
178.04967	3.5
179.02342	2.1
179.54344	0.8
181.00209	1.3
182.03392	2.8
182.99751	1.5
183.02083	3.0
183.03990	0.9
183.52510	0.8
184.02982	1.3
185.01328	0.7
185.04121	0.9
186.04448	4.1
186.06046	1.2
186.09787	4.9
187.00813	0.9
187.02847	1.1
187.04564	1.8
188.02203	0.9
188.06137	0.9
188.97112	1.3
189.00722	11.0
189.02293	1.7
189.04189	1.3
189.97571	0.9
190.03984	2.2
190.05725	1.7
190.95439	1.1
190.97009	1.0
190.98615	21.6
191.02345	7.8
191.04028	5.1
191.07594	0.8
193.00133	3.2
193.01794	2.8
193.04460	10.8
193.54494	2.6
196.09860	1.1
198.02943	1.2
200.02470	0.7
200.04150	3.0
201.00690	4.1
202.04973	9.4
202.54984	2.6
203.02332	1.2
203.04100	1.8
204.05554	3.1
204.10866	1.5
204.55042	0.9
205.00252	1.8
205.03706	3.5
205.05573	2.9
207.01761	6.9
208.97801	1.1
208.99712	16.9
209.03386	2.8
211.02888	1.8
213.53688	1.2
213.55331	3.6
214.00423	0.8
214.03958	4.1
214.05968	7.3
214.07202	1.0
214.07738	1.2
214.09283	1.8
214.10822	1.5
215.00523	1.5
215.13931	1.1
217.00243	1.2
219.01747	5.3
220.02245	1.3
221.03313	1.6
221.05194	2.2
223.01096	1.0
223.02895	1.9
223.04837	1.4
225.02934	0.9
227.00725	1.7
232.05037	3.4
232.08476	0.9
232.10394	7.2
232.96655	0.8
232.99695	1.1
233.08813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03947	1.1
55.01870	1.1
55.05515	19.3
57.03421	1.8
57.07075	10.6
67.05505	5.3
69.03435	1.1
69.07066	5.4
69.94518	3.6
71.04981	1.1
79.05494	5.0
81.07066	6.4
83.04984	8.1
83.08614	1.2
85.06547	5.6
88.07645	1.9
91.05477	4.1
93.07048	13.0
95.04983	2.8
95.08617	10.7
97.06539	7.8
105.07037	5.0
107.04951	1.2
107.08596	21.2
109.06509	3.9
109.10163	3.3
111.04446	100.0
111.08095	3.8
111.11706	1.0
113.06036	1.9
117.07022	2.3
119.08589	2.7
121.06506	4.0
121.10162	3.9
122.07281	1.3
123.08051	2.3
125.05999	28.7
125.09661	0.9
127.07586	3.3
128.06255	0.9
129.07030	1.0
130.07802	1.9
133.10086	0.7
135.08060	13.5
135.10689	1.5
135.11696	22.7
137.13286	1.4
139.07549	5.2
142.07712	0.7
143.08591	1.9
145.10121	17.5
149.13211	1.1
153.12785	4.6
157.10165	2.2
163.11186	25.3
171.11681	1.8
180.09435	0.7
181.12239	59.0
195.13829	4.5
213.12782	2.6
213.14828	3.6
213.16649	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	213.0911
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
50.51213	0.4
53.03936	0.5
55.01872	3.8
65.03941	3.7
67.05500	2.8
67.72362	0.4
69.03422	2.2
72.18316	0.3
77.03894	0.4
79.05483	2.7
81.07046	0.6
88.07598	0.5
91.05481	45.9
92.05820	0.4
93.07040	0.9
94.06599	0.4
95.04969	9.3
98.97585	0.4
107.04953	11.3
107.08600	0.4
115.05433	2.7
117.07007	1.1
119.04942	64.8
121.10146	0.4
128.06206	3.2
129.07008	10.6
131.04924	2.6
137.05980	9.0
141.06999	3.2
142.06763	0.8
142.07785	9.3
143.08588	2.0
144.05707	4.6
145.06519	2.5
150.34047	0.5
152.06206	14.3
153.06938	0.8
155.05981	0.8
155.08519	0.6
157.05217	0.8
157.06494	11.6
157.10126	9.2
165.07013	11.2
166.07776	4.1
167.07127	1.0
167.08557	19.1
169.06456	3.5
170.05887	0.8
170.07260	10.6
171.08105	4.1
175.47238	0.4
176.06178	0.9
177.06912	2.2
181.06516	1.2
182.44078	0.4
183.08055	1.4
184.05193	0.6
185.09602	16.4
194.07210	0.7
195.06279	0.9
195.08049	18.3
197.05969	2.1
198.06766	7.7
207.78027	0.4
211.07587	0.5
213.09100	100.0
213.16309	1.4
214.09386	1.2
229.73872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01867	2.8
55.05515	22.3
56.96567	1.9
57.03431	6.3
57.07063	5.3
59.04980	3.6
59.63307	1.3
67.05505	46.4
69.03410	4.5
69.07070	17.7
69.47567	1.5
70.59016	3.3
70.59361	2.0
71.04982	5.4
71.73977	1.3
73.06528	1.5
79.05498	11.5
81.03424	13.4
81.07059	38.8
83.04986	17.7
83.08620	15.2
85.06540	8.5
87.49575	1.6
91.05492	12.0
93.07046	21.7
94.50555	1.3
94.56581	1.4
95.04971	8.8
95.08611	82.7
97.06520	7.9
97.10127	4.7
98.20733	1.5
99.08096	9.4
105.04631	1.3
105.07038	13.4
107.08598	25.3
109.06524	10.5
109.10161	100.0
111.08088	23.5
113.09634	2.1
115.07572	10.1
116.89323	1.5
119.08589	40.3
121.10157	15.7
123.04422	2.5
123.08074	25.8
123.11711	14.3
125.09621	4.5
127.11179	2.3
129.06982	1.8
131.08519	1.8
133.10132	32.8
135.11694	45.2
137.09621	82.4
137.13223	2.6
138.10408	3.6
140.16263	1.5
147.11711	8.2
149.05914	1.7
149.09624	2.0
149.13272	9.1
151.07576	1.7
151.11166	5.8
151.14816	5.8
153.12743	2.1
157.10081	2.0
163.14890	3.4
165.12766	6.2
165.16425	2.4
167.06970	2.3
175.11165	3.0
175.14828	45.6
179.07005	4.2
188.44171	1.4
193.12259	9.2
193.15889	67.7
193.17645	3.3
211.13324	4.8
211.16927	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05511	10.7
57.03416	1.9
57.07064	4.4
59.04990	3.0
62.20321	1.3
67.05511	18.3
69.03426	1.9
69.06792	1.3
69.07073	15.4
70.07886	4.3
70.08306	3.2
71.04996	10.5
79.05495	7.0
81.03408	1.4
81.07067	25.3
81.77648	1.3
82.81185	1.3
83.05001	1.7
83.08619	11.7
85.06531	4.1
91.05482	3.2
92.49934	1.3
93.07054	13.7
95.05000	1.5
95.08613	100.0
97.06518	5.0
97.10159	3.2
99.04438	2.6
101.06065	1.5
105.07045	6.3
107.08591	16.1
109.06520	2.7
109.09460	2.6
109.10155	28.6
110.37424	1.3
111.08086	3.5
113.09641	1.5
115.07595	9.4
119.08591	14.8
121.10149	9.8
123.08061	4.0
123.11714	17.6
125.09658	3.4
133.10164	16.2
135.11707	28.0
137.09634	8.4
137.13260	2.4
139.11192	4.4
141.12733	2.1
147.11691	4.6
149.13228	6.3
151.14830	2.2
153.12769	1.9
163.14838	16.3
165.16345	1.9
167.07060	2.3
175.14838	24.3
181.15872	4.2
193.15892	23.6
211.14854	3.1
211.16934	65.2
216.86876	1.8
224.42557	1.4
230.30516	1.4
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	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03952	1.6
55.05268	1.1
55.05511	14.2
57.03437	1.8
57.07067	3.8
58.17936	0.8
59.04982	2.1
65.03945	1.1
67.05508	26.3
69.03426	9.4
69.07075	14.1
69.40679	6.2
71.04990	4.5
71.08609	1.6
76.82896	0.8
79.05489	6.3
81.03410	3.6
81.06587	1.5
81.07063	30.5
83.04980	14.5
83.08626	11.9
85.06551	5.8
91.05478	5.7
93.07048	13.8
95.04971	3.9
95.08613	40.3
97.06525	2.0
97.10156	3.2
99.08083	3.5
105.07030	8.5
107.08598	24.7
109.06525	12.7
109.10163	100.0
111.08098	4.2
113.09639	2.7
119.04935	1.7
119.08586	27.4
121.10149	12.6
123.04417	2.8
123.08078	13.5
123.11709	11.2
125.09637	3.4
127.11211	0.9
130.23627	0.9
131.08595	1.5
133.02963	1.0
133.06473	1.5
133.10139	22.5
135.11700	75.2
137.08670	1.6
137.09636	20.1
139.11172	2.6
146.27455	0.9
147.04335	1.5
147.11696	1.4
149.13261	7.0
151.07571	1.4
151.11186	11.0
151.14841	12.9
153.12729	3.6
165.16408	3.1
167.07047	2.0
170.05721	1.4
175.14841	23.3
179.07103	6.1
183.06578	1.4
193.08589	1.4
193.12250	1.3
193.15894	22.5
211.05266	0.9
211.09668	1.2
211.16937	5.3
232.20860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	1.8
55.01868	4.3
55.05272	1.8
55.05512	22.8
56.96556	2.7
57.03423	6.3
57.07077	8.4
59.04993	4.8
65.03944	2.5
67.05511	41.1
69.03421	7.5
69.06740	2.2
69.07074	31.6
70.98071	3.2
71.04648	1.9
71.04996	21.1
72.12105	1.5
78.49662	1.5
79.05498	17.3
81.03442	6.8
81.07063	71.5
83.04990	19.4
83.08630	13.3
85.02909	8.6
85.06548	17.7
85.18202	1.3
91.05486	17.1
93.06490	2.5
93.07047	48.9
95.04971	11.5
95.08613	100.0
97.02840	1.3
97.06008	1.4
97.06522	9.4
97.10175	8.8
97.26492	1.5
98.97595	2.1
99.04458	3.7
99.08099	7.1
105.07041	28.5
107.04950	3.6
107.08604	66.4
108.08986	1.4
108.81917	1.6
109.06518	12.8
109.10159	58.3
111.08089	10.8
113.05997	4.1
117.06998	1.8
119.08589	68.4
121.06541	2.4
121.09412	2.0
121.10146	15.2
123.04427	4.5
123.08059	12.2
123.11712	37.4
125.09644	9.9
127.07387	1.3
128.89748	1.2
129.06990	1.4
131.08540	2.7
133.09131	1.8
133.10136	32.0
135.11699	93.3
137.09615	19.0
137.13293	1.6
139.11130	2.3
142.06123	1.4
147.11658	12.1
149.05984	1.8
149.13254	13.4
151.11234	7.6
151.14799	7.0
153.12708	8.7
155.10678	7.3
163.14838	44.4
165.12622	2.1
165.16388	4.6
167.07022	24.5
175.11171	1.9
175.14839	53.4
179.07115	2.0
181.08618	1.5
181.15837	3.4
193.08580	1.3
193.12263	5.2
193.15892	22.4
211.13364	3.5
211.16933	51.1
217.14667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.4
55.05511	24.2
56.68055	2.2
57.03434	5.6
57.07077	18.8
59.04994	13.3
66.20995	2.2
67.05503	42.4
69.03416	6.8
69.06723	4.1
69.07071	44.4
69.59758	9.3
71.04996	20.0
79.05493	14.6
81.07055	66.3
83.04974	21.3
83.08625	16.0
85.02914	10.6
85.06551	21.3
91.05479	19.3
93.07043	53.6
95.04964	15.2
95.08605	100.0
96.26775	2.2
97.06524	7.8
97.10170	7.3
98.21473	5.3
99.04417	4.7
99.08109	4.7
105.07045	28.8
107.08591	56.2
109.06513	24.4
109.10150	73.0
111.08052	14.6
113.06001	4.7
119.08581	76.1
119.41041	2.5
121.10152	15.9
123.08082	15.2
123.11708	46.9
125.09626	8.4
131.08641	3.4
133.10129	40.5
135.11690	78.2
137.06070	3.3
137.09633	23.5
137.13243	2.4
147.11688	11.1
148.14539	2.3
149.13284	12.9
151.11189	18.4
151.14862	11.7
153.12758	8.2
155.10689	10.9
165.16422	4.1
167.07117	3.2
172.72301	2.5
173.13260	2.4
175.11240	4.6
175.14827	50.9
179.07071	3.1
181.15878	2.4
184.50049	2.3
193.12285	6.6
193.15944	31.8
209.61060	2.3
211.13326	13.1
211.16920	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03949	3.6
55.01868	5.8
55.05512	40.0
56.96577	1.1
57.03440	9.4
67.05173	1.9
67.05508	24.6
69.03422	8.6
69.07076	9.5
69.53532	6.1
69.53929	2.0
71.04994	4.9
75.65562	0.9
79.05496	32.7
81.03419	100.0
81.07061	33.4
83.04985	43.3
83.08145	2.1
83.08622	35.0
85.06544	2.2
89.74411	1.1
91.05485	32.9
93.07053	16.9
95.04372	1.8
95.04973	29.7
95.08614	14.4
97.02890	4.4
97.06537	4.2
97.10181	7.3
99.04475	1.0
99.08100	1.3
105.03380	1.9
105.06313	1.4
105.07032	20.0
107.04975	6.4
107.08596	9.0
109.06525	7.2
109.10146	5.0
111.04450	2.7
111.08084	13.2
113.05988	1.1
117.07015	1.2
119.04929	1.1
119.08588	17.8
121.10169	6.9
123.08047	3.0
123.11668	1.5
125.06042	1.0
125.09618	2.8
129.07010	10.6
131.08571	11.1
133.06488	3.8
133.10129	14.0
137.05923	1.1
137.09563	2.4
142.07790	3.8
147.08075	3.9
147.11678	16.4
149.09665	7.6
157.10124	14.7
165.12766	2.2
167.07040	4.4
175.11189	18.2
191.61606	1.0
193.12254	52.8
211.13266	26.3
211.16670	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1331
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.30546	0.7
50.46376	0.7
53.03955	3.4
55.01879	6.6
55.05513	41.2
56.96569	26.8
57.03440	10.3
57.07079	2.0
59.05015	1.6
64.37895	0.6
65.03944	1.4
66.77921	0.7
67.05510	32.6
69.03429	9.7
69.07074	12.1
69.26858	0.8
69.86205	0.7
70.53797	1.7
71.04996	7.3
73.02942	1.5
73.06582	1.4
74.97600	1.0
78.04720	1.8
79.05497	33.4
79.85902	0.7
81.03423	100.0
81.07059	42.2
83.04988	49.3
83.08625	36.6
84.96038	4.8
85.02903	2.1
85.06548	4.5
91.05488	34.5
93.07046	22.0
93.09486	0.8
95.04974	34.9
95.08609	21.3
97.02901	3.5
97.06532	6.0
97.10181	9.5
97.99187	10.9
98.97604	1.4
99.04474	1.9
99.08100	2.4
102.97068	1.1
103.05486	0.8
105.03361	1.0
105.04542	0.7
105.07036	26.8
106.04201	1.1
107.04951	7.1
107.08601	12.7
109.02900	1.4
109.06532	6.9
109.10159	6.9
111.04468	3.8
111.08092	14.7
113.05984	1.5
115.05479	1.6
116.00218	4.6
117.07019	2.1
119.04950	2.0
119.08592	22.3
121.06506	2.9
121.10146	10.2
123.04430	6.6
123.08108	6.4
123.11726	2.5
124.05184	1.0
125.06027	1.0
125.09650	3.1
127.03934	2.0
127.07574	1.2
128.06183	0.8
129.07014	14.8
131.08572	12.8
133.06531	4.1
133.10136	13.0
135.11700	2.9
137.06029	3.5
137.09621	3.3
139.01755	1.5
139.11139	0.8
142.06055	1.8
142.07762	3.5
143.99677	1.2
145.10089	1.4
147.04367	2.1
147.08084	3.3
147.11700	17.9
149.01208	1.0
149.05954	1.4
149.09616	7.3
151.03900	2.6
151.07545	1.5
151.11212	2.0
151.14815	1.0
153.47768	1.0
155.03407	3.3
155.08551	1.9
157.10136	18.9
165.12822	5.2
167.07048	66.9
169.10124	1.0
170.05760	10.5
175.11188	22.9
175.14793	2.2
179.07030	3.5
181.08459	0.9
183.06596	1.1
193.08542	2.7
193.12256	55.7
193.15863	1.7
211.05882	2.3
211.07664	1.7
211.09608	1.8
211.11504	1.0
211.13235	26.5
211.14760	1.7
211.16620	1.4
229.07509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03945	3.2
55.01865	4.9
55.05510	29.0
56.96548	1.7
57.03424	6.4
57.07063	4.6
59.13993	1.5
60.08266	1.5
60.24288	1.3
67.05508	50.1
69.03419	6.6
69.07063	16.8
69.31260	13.9
71.05006	7.9
78.69649	1.5
79.05489	17.4
81.03425	23.7
81.07055	50.3
83.04987	21.0
83.08615	15.0
85.06551	9.8
91.05486	12.5
93.07043	25.0
95.04985	12.7
95.08607	88.7
97.06549	10.6
97.10167	4.7
99.08099	8.9
103.05471	1.5
105.07024	21.0
107.08593	25.1
109.06510	13.5
109.10158	100.0
110.06824	1.7
111.08086	27.2
113.09607	2.1
115.07569	16.9
119.08582	39.3
121.06497	2.3
121.10140	19.6
123.04460	4.0
123.08068	23.5
123.11686	11.5
125.09608	8.3
129.07034	2.0
131.08575	4.1
131.45265	1.6
133.10136	36.4
135.08057	2.2
135.11685	51.1
137.09622	84.5
137.13229	1.8
138.10358	4.2
139.11186	3.6
147.04402	1.6
147.11719	13.4
149.09578	2.0
149.13271	9.8
151.07584	2.7
151.11237	8.3
151.14824	7.3
157.10167	4.2
158.85918	1.6
163.14893	2.3
165.12726	7.7
165.16409	5.6
167.07079	3.4
175.11201	4.7
175.14821	46.9
179.07028	7.9
181.82402	1.4
193.12291	10.8
193.15895	75.7
193.17685	3.9
211.13240	7.3
211.16916	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03954	1.3
55.01875	2.2
55.05508	4.9
56.96574	1.5
57.03444	1.2
57.07076	2.7
59.05002	0.9
60.11087	0.6
65.03950	0.9
67.05512	13.2
69.03445	1.1
69.07076	20.1
69.85231	3.1
71.04998	7.8
77.03944	0.8
78.04720	2.2
79.05495	10.4
81.03423	1.6
81.07061	19.4
83.04991	6.0
83.08628	2.0
85.06551	7.1
91.05486	29.6
93.07051	26.7
95.04973	13.6
95.08605	4.5
97.06521	2.4
98.97599	1.0
99.04490	2.0
99.08096	1.0
103.05457	5.6
105.03420	0.8
105.04548	0.9
105.07037	27.8
106.04169	1.2
107.04973	2.1
107.08598	9.9
109.06527	23.7
109.09438	1.0
109.10162	7.0
110.06837	1.0
111.08077	1.4
113.06017	1.8
119.04917	1.0
119.08591	9.6
121.02880	0.7
121.06514	10.5
121.10153	3.1
123.04449	5.6
123.08045	3.0
123.11696	3.7
124.05257	1.7
125.05990	1.7
125.09643	0.9
127.07574	3.0
131.08563	7.9
133.06537	3.6
133.10138	100.0
134.10536	0.8
135.04248	0.5
135.08061	1.0
135.11711	1.3
137.05983	10.7
137.09608	1.1
141.05461	1.0
142.06149	0.8
147.08099	1.1
147.11697	22.1
149.05994	19.8
149.09612	2.3
151.03928	1.9
151.07602	4.6
151.11194	60.1
152.04706	1.2
152.11546	0.6
155.03592	0.7
155.07037	18.0
157.10101	1.7
161.06006	2.4
165.05481	0.9
165.12746	4.9
166.06258	3.3
167.07050	57.0
168.07364	0.6
169.08647	1.2
170.05786	2.4
175.11203	11.9
179.07086	1.2
180.07870	1.5
181.08601	19.3
193.05112	0.8
193.08565	1.5
193.12250	28.3
206.00862	0.6
211.09906	4.0
211.13292	24.7
211.16272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Anserinone B
Peak:m/z	Relative Intensity
55.01890	1.0
55.05508	7.7
57.03442	6.4
57.07079	6.2
59.05019	3.1
65.03943	4.4
65.93853	0.6
67.05506	40.5
68.99791	4.6
69.03445	2.1
69.07070	7.1
69.44432	5.9
71.04993	12.8
71.05360	0.8
73.06566	0.8
79.05482	4.5
81.03446	3.4
81.07054	19.6
83.04995	2.1
83.08619	4.3
85.02941	1.4
85.06544	94.5
91.05478	4.0
93.07054	8.5
93.40858	0.9
95.05003	2.6
95.08617	14.0
95.09184	1.4
96.87171	0.8
97.06514	5.3
97.10202	0.9
99.04472	1.8
99.08094	6.8
101.05954	0.9
105.07045	4.9
107.04984	1.0
107.08599	11.9
109.02948	1.0
109.06519	32.1
109.07263	1.6
109.10144	6.8
111.00793	1.0
111.04494	0.8
111.08070	1.8
115.07567	4.0
119.08587	7.3
121.06555	1.7
121.10144	6.8
123.04432	40.1
123.08067	15.5
123.11704	18.1
125.09612	6.6
127.03915	10.0
127.07555	42.8
129.07002	1.0
133.10135	6.6
135.11703	17.5
135.12704	1.2
137.02357	1.1
137.05968	5.5
137.09644	3.0
137.13248	1.4
138.03227	0.8
139.03899	9.7
141.12749	1.9
145.60823	0.8
147.08076	2.9
147.11708	1.5
149.05984	3.8
149.13316	3.1
151.03906	5.6
151.07541	7.9
153.05511	4.5
153.12755	5.5
155.03391	13.1
155.10583	3.6
160.05215	1.8
163.03870	1.1
164.04713	5.7
165.05478	2.2
165.09123	19.4
167.07074	4.1
169.08580	6.2
175.07568	10.6
175.11176	0.9
175.14816	12.8
179.06995	2.5
184.48199	0.7
193.08614	100.0
193.15903	4.2
194.09007	0.9
211.09654	60.0
211.16940	29.2
211.19034	0.9
225.43346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03942	5.5
53.50737	1.2
55.01867	5.2
55.05515	36.5
55.45528	1.2
56.96571	76.5
57.03451	8.0
57.07068	4.8
65.03934	1.4
67.05510	32.7
69.03432	10.5
69.07076	11.0
71.05007	7.0
74.97633	1.9
79.05497	29.3
81.03426	100.0
81.07064	39.1
83.04989	48.5
83.08627	34.2
84.96054	15.9
85.02888	2.4
85.06535	3.4
88.28745	1.2
90.18748	1.2
90.25004	1.3
91.04974	2.3
91.05494	32.8
91.51698	1.2
93.07052	18.7
95.04977	34.6
95.08612	16.9
95.58812	1.4
95.88623	1.2
97.02903	5.2
97.06504	6.8
97.10184	11.2
97.99191	31.7
99.08119	3.4
101.06017	1.5
105.07036	21.1
107.04950	7.6
107.08625	9.1
108.17638	1.4
109.06525	7.3
109.10177	9.2
111.04456	3.0
111.08083	14.0
115.05507	1.5
116.00222	15.7
119.04910	1.9
119.08596	22.2
121.06494	3.0
121.10154	9.6
123.08071	5.7
123.11735	2.1
123.95994	1.7
125.09647	3.2
125.98663	1.9
127.43499	1.2
128.06310	1.3
129.07002	12.0
131.08572	12.7
133.06505	3.8
133.10156	13.9
134.01263	2.2
135.11682	3.2
137.05966	3.0
137.09618	4.2
139.01811	3.8
141.97017	1.8
142.06113	4.0
142.07768	2.0
143.99710	3.5
147.08054	4.0
147.11705	17.8
149.09572	7.4
151.07607	1.7
151.11201	1.8
155.08487	1.6
157.10158	17.8
158.09283	1.3
164.97035	2.7
165.12756	6.0
167.06987	2.1
169.10201	1.6
175.11223	19.9
175.14787	1.6
183.11530	1.7
187.98822	1.4
188.10643	1.3
193.05048	1.3
193.12259	57.4
199.08849	1.5
205.91632	1.4
211.07780	1.6
211.11348	3.1
211.13248	28.5
211.14923	1.9
211.16696	1.6
229.05109	1.5
229.07430	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03942	4.0
55.01876	6.3
55.05266	2.4
55.05514	34.1
55.58941	1.4
56.01640	1.6
56.96568	91.1
57.03447	8.2
57.07075	2.6
59.02779	1.5
59.05010	1.6
65.03950	3.2
67.05173	2.9
67.05509	31.7
69.03436	6.3
69.07070	10.3
70.27419	1.6
70.27764	5.6
71.04990	5.2
74.97591	1.7
79.05062	2.6
79.05492	27.3
81.03423	100.0
81.07061	39.3
83.04985	44.0
83.08624	35.7
84.96037	16.2
85.06547	3.0
91.05486	30.4
93.07049	17.9
95.04977	37.8
95.08613	19.4
97.02914	4.0
97.06542	6.4
97.10174	8.5
97.99184	30.4
99.08099	3.2
100.25144	1.7
102.97064	3.3
103.05458	1.7
105.07039	23.2
107.04978	8.1
107.08617	10.9
109.06530	7.0
109.10172	5.6
111.04438	4.3
111.08076	13.9
116.00226	13.7
119.04931	2.3
119.08578	18.9
121.06509	3.6
121.10160	7.8
122.03643	2.6
123.08092	3.6
123.11765	2.2
125.98624	3.7
129.07047	9.6
131.08597	12.2
133.06528	5.3
133.10112	12.3
135.11668	2.1
137.05984	40.2
137.09647	5.0
139.01743	2.2
141.09276	1.7
142.06139	4.9
142.07800	3.5
145.10118	1.9
147.08089	4.0
147.11714	16.0
149.09680	8.8
151.07549	2.7
152.06175	2.2
153.55725	1.7
157.10135	16.9
164.97018	1.9
165.07007	2.1
165.09193	1.9
165.12759	4.1
167.07005	4.3
167.08510	1.9
175.11220	21.3
175.14850	3.0
179.07054	4.3
193.12262	52.3
193.15929	2.5
211.05879	2.3
211.07671	5.1
211.09726	4.8
211.13223	27.9
211.16722	3.2
218.01169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	2.2
55.01875	6.3
55.05510	5.4
56.96580	0.8
57.07070	3.8
65.03944	2.9
67.05499	6.9
69.03436	4.5
69.07069	5.0
70.08295	3.4
71.05007	5.5
75.04486	0.9
78.04706	1.6
79.05498	8.2
81.03430	1.4
81.07065	10.9
81.36405	0.9
83.00818	1.0
83.04986	5.9
83.08627	4.0
85.02879	1.8
85.06554	2.1
89.03898	1.2
91.05480	14.2
93.03429	4.9
93.07055	12.9
95.04965	8.1
95.08618	8.8
97.06533	3.4
98.21477	1.1
98.97549	2.1
99.04479	2.1
103.05459	4.6
105.07049	8.2
106.04171	13.5
107.04942	2.7
107.08593	14.6
109.06517	100.0
109.10152	16.4
111.08097	3.2
113.09679	0.9
117.07038	2.0
119.04970	1.4
119.08582	2.5
121.06502	17.4
121.10144	11.7
123.04411	1.1
123.08057	12.8
123.11659	1.8
125.05992	4.3
125.09640	4.8
129.11391	1.0
131.04910	3.0
131.08566	8.4
133.10120	7.8
134.03650	3.7
135.08061	30.1
135.11708	2.0
137.05988	1.3
137.09685	1.9
139.07614	1.5
139.11205	1.1
143.08629	1.5
145.02843	1.7
145.10135	3.1
147.11710	2.3
149.05986	18.7
149.09647	6.2
149.13284	4.5
150.10416	1.1
151.07469	1.1
151.11186	16.8
153.05499	2.1
153.09122	11.0
158.10971	1.4
161.09439	1.1
163.07524	2.4
163.11191	2.8
163.14803	2.3
165.12801	3.8
167.14290	2.1
173.13257	10.3
176.12114	0.9
177.05479	11.6
181.08620	3.8
191.07028	2.1
191.10597	1.7
191.14308	31.7
209.04399	1.6
209.06229	1.5
209.08086	6.4
209.09940	1.8
209.11922	1.5
209.15359	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.32652	0.5
53.03938	1.9
55.01631	0.5
55.01876	6.8
55.05512	4.5
57.03437	0.8
57.07083	4.0
57.59830	0.5
58.00553	0.5
59.05011	0.7
63.55636	0.5
65.03934	2.9
67.05502	5.4
69.03419	1.4
69.07065	2.6
69.31339	2.1
69.31756	2.1
71.04991	2.7
73.61487	0.4
75.04478	2.0
77.03933	1.3
77.78381	0.5
78.04696	2.6
79.05483	5.9
81.07061	6.8
83.04980	3.8
83.08624	3.0
85.02888	1.9
85.06529	1.6
89.03929	1.6
91.05479	12.2
93.03408	5.2
93.07042	8.5
95.04977	7.7
95.08607	5.3
97.02811	0.5
97.06533	4.6
97.10178	0.7
99.04472	0.7
103.05465	3.7
105.04523	0.7
105.07039	6.2
106.04179	16.3
107.04955	2.0
107.08593	9.9
109.06521	100.0
109.10159	12.8
111.08079	2.5
115.05433	0.8
117.03378	2.5
117.07036	1.6
119.04953	1.4
119.08608	1.7
121.06509	18.2
121.10149	6.2
122.07233	0.9
123.04475	1.0
123.08075	9.8
123.11684	1.5
124.05224	4.7
125.06002	4.1
125.09627	1.5
130.07808	0.5
131.04933	2.3
131.08571	7.2
133.10097	3.4
134.03636	2.5
135.04398	1.0
135.08060	25.5
135.11697	1.6
137.05965	3.5
137.09567	0.5
138.06793	0.7
139.07527	4.0
139.11186	1.1
145.02806	2.9
145.10133	2.4
147.04424	1.0
147.11710	1.4
148.05200	2.1
149.05995	21.0
149.09601	6.4
149.13286	2.3
150.10457	1.0
151.07581	1.1
151.11171	4.7
152.04768	0.9
152.08202	0.7
153.05444	1.2
153.09119	8.4
158.10959	1.3
159.04453	0.9
161.09618	0.5
163.03833	0.7
163.07555	1.7
163.11154	1.2
163.14842	1.5
165.12753	1.1
166.06245	1.2
166.09866	0.7
167.07057	2.0
167.14337	3.0
173.13271	7.4
174.03366	0.6
174.53473	0.6
176.11954	0.6
177.05481	13.7
179.10779	0.6
181.08591	3.7
191.07051	2.4
191.10718	0.7
191.14314	24.5
194.09338	0.8
209.04477	0.7
209.08116	6.0
209.10126	0.9
209.11868	3.5
209.13451	1.2
209.15349	14.2
212.74518	0.5
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-beta-ionone
Peak:m/z	Relative Intensity
53.03946	2.0
55.01877	4.3
55.05521	4.0
57.07079	1.9
59.04990	1.5
62.61497	0.6
63.23367	0.6
65.03934	2.0
66.82941	0.6
67.05508	6.1
69.03435	12.7
69.07069	5.4
69.16683	0.6
69.63431	2.6
69.63843	1.2
71.04990	1.6
75.04504	1.2
78.04699	1.4
79.05498	5.0
81.03416	8.9
81.07058	10.9
83.04987	5.3
83.08620	2.6
85.02879	1.6
89.03931	1.2
91.05481	8.8
93.03423	3.4
93.07044	8.8
95.04976	9.6
95.08614	11.3
97.06545	3.2
98.20853	1.4
99.08105	1.9
103.05495	4.3
105.07042	6.5
106.04171	10.1
107.04964	1.6
107.08604	13.1
109.06522	16.1
109.10153	3.6
110.07272	0.9
111.04430	0.9
111.08089	1.0
117.03349	0.8
117.07039	0.7
119.04964	0.7
119.08586	5.9
121.06501	12.1
121.10150	15.9
123.04453	1.1
123.08067	11.0
123.11688	7.7
125.05984	2.3
125.09587	1.5
131.04922	1.3
131.08551	2.4
133.07594	0.9
133.10124	2.9
134.03610	2.2
135.08037	3.1
135.11699	1.9
137.05977	1.6
137.09625	3.4
137.13240	3.1
138.06699	0.8
139.07510	1.5
139.11224	0.9
145.02864	1.0
145.10144	1.7
147.11690	3.1
148.05212	0.9
149.05986	14.6
149.09622	11.0
149.13269	7.8
150.10411	0.7
151.11162	6.4
153.05440	0.9
153.09097	3.4
163.07477	1.2
163.11186	1.5
163.14804	2.1
165.12758	100.0
166.13167	0.8
167.14339	1.7
173.13257	2.7
177.05511	6.7
180.02565	0.6
181.08562	3.4
187.65431	0.6
191.06996	1.7
191.10751	0.9
191.14256	5.2
209.08202	4.0
209.15372	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	0.8
55.01873	2.9
55.05513	3.3
57.03428	0.5
57.07076	4.2
65.03925	0.8
66.76077	0.6
67.05509	3.8
69.03424	1.9
69.07077	3.0
69.48027	3.8
69.48436	1.2
71.05000	5.1
75.91526	0.5
79.05510	5.6
81.07063	6.0
83.04977	1.9
83.08624	0.8
85.02907	1.0
85.06544	0.8
91.05486	7.2
93.03422	1.3
93.07055	6.8
95.04990	5.0
95.08620	6.1
97.06533	2.4
99.08057	0.7
103.05485	1.5
105.07033	5.8
106.04181	4.9
107.04959	1.1
107.08601	11.6
109.06522	100.0
109.10155	13.6
110.06942	0.6
111.08079	1.7
117.07020	1.2
119.08601	2.9
121.06506	6.9
121.10155	5.6
121.44464	0.6
123.08079	10.2
123.11714	0.9
125.05980	1.8
125.09632	0.9
129.06998	0.8
131.08563	10.6
133.06601	0.6
133.10135	3.6
134.03648	0.9
135.08057	28.2
135.11664	1.2
137.06007	0.7
137.09612	1.1
145.10161	4.4
147.08060	1.0
147.11725	3.0
148.05185	0.8
148.08798	1.0
149.05994	6.7
149.09612	7.2
149.13242	2.9
150.10367	0.9
151.11205	3.3
153.05457	0.8
153.09097	5.1
158.10925	1.5
163.11179	1.8
167.14285	1.2
173.13271	10.0
174.98122	0.5
176.11995	0.9
177.05467	4.2
181.08563	0.9
191.10687	1.7
191.14311	30.4
209.08157	1.8
209.11794	2.2
209.15366	10.9
220.77843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01864	1.8
55.05510	5.1
57.03440	1.0
57.07076	9.6
60.56652	0.8
65.03931	1.1
66.88068	0.9
67.05173	1.3
67.05502	10.6
69.03082	1.4
69.03434	21.2
69.07074	5.6
70.86575	1.9
71.04978	1.8
74.73189	0.8
79.05495	6.0
81.07059	12.4
81.32808	0.7
83.04980	16.0
83.08607	1.8
85.06551	8.5
88.95979	0.8
91.05476	6.1
93.03359	1.1
93.07066	6.7
95.04984	2.1
95.08607	10.9
95.22498	0.8
95.63487	0.8
97.06523	3.1
97.10133	1.4
99.08105	1.3
103.05460	1.8
105.07027	7.3
106.04173	2.2
107.04993	1.2
107.08590	26.4
109.05804	1.4
109.06516	13.0
109.10152	3.6
111.08076	8.7
119.08590	4.0
121.06505	5.4
121.10152	14.5
123.08064	5.2
123.11716	5.9
125.06039	1.2
125.09635	64.7
131.08578	8.1
133.10152	8.3
135.08054	17.1
135.11656	5.4
137.13222	0.8
144.09288	0.9
145.10123	4.6
147.11662	4.1
149.05963	3.9
149.09639	10.1
149.13251	7.1
150.10373	2.4
151.11176	3.7
153.09102	15.3
158.10928	4.7
161.09673	1.2
163.11177	4.1
163.14873	6.2
165.12753	9.8
167.14278	1.0
173.13280	24.3
173.53227	0.8
176.11967	2.0
177.05464	4.9
191.14311	100.0
197.34894	0.8
209.15375	94.7
210.15709	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.1
55.01868	2.6
55.05503	2.9
57.07060	2.8
58.62261	0.9
59.05005	0.9
60.25790	1.0
65.03943	1.8
67.05511	5.3
69.03439	4.6
69.07063	4.3
70.55839	2.4
70.56168	1.0
71.05002	2.6
78.04699	1.1
79.05499	8.3
81.07061	16.0
82.69059	1.0
83.04981	2.2
83.08609	2.1
85.06571	1.2
91.05482	10.4
93.03395	1.6
93.07046	6.7
95.04984	4.5
95.08627	5.8
97.06537	2.8
103.05496	1.6
105.07034	8.4
106.04163	6.9
107.04964	1.2
107.07883	1.5
107.08603	28.1
109.06524	100.0
109.09470	1.3
109.10162	16.3
111.05703	0.9
111.08078	2.6
115.05437	1.7
117.07015	3.5
119.08598	4.2
121.06517	5.0
121.10146	11.8
122.07278	3.7
123.08070	8.3
125.09643	3.8
131.04910	1.1
131.08585	8.9
133.10143	51.8
134.03586	1.1
135.08060	36.0
135.11658	2.1
137.09624	39.8
139.07558	1.2
139.11182	2.0
144.09329	1.0
145.10100	3.1
147.11703	1.7
149.05988	6.7
149.09651	4.5
149.13252	8.7
150.10413	1.2
151.11182	2.5
153.09111	5.1
158.10898	1.9
163.07582	1.2
163.14880	2.1
165.12724	1.3
173.13281	10.5
177.05432	3.6
181.08665	1.3
182.50514	0.9
191.14334	26.1
192.71791	0.9
197.14548	0.8
209.08156	2.1
209.15396	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03333	1.2
53.03934	1.9
55.01876	1.9
55.05507	6.3
57.07060	1.6
59.04983	2.6
65.87166	1.2
67.05503	8.2
69.03439	10.5
69.07069	14.1
69.60203	2.6
69.60609	7.0
71.04997	9.2
79.05479	5.7
81.07060	13.1
83.04983	14.4
83.08630	6.6
91.05465	8.4
93.03382	3.9
93.07049	9.4
95.04981	10.8
95.08614	24.5
97.06542	5.9
99.04437	1.7
99.08078	6.1
103.05459	1.5
105.07037	9.2
106.04174	4.9
107.08585	36.5
109.06528	9.8
109.10165	17.6
111.08050	4.2
119.08575	4.7
121.06506	9.8
121.10146	35.6
123.08078	6.3
123.11686	4.3
125.09639	10.0
131.08571	7.7
133.10133	11.8
135.08057	13.2
135.11662	4.8
137.09607	4.1
139.11159	7.4
143.08618	1.5
145.10135	3.5
147.11710	7.6
149.05956	5.8
149.09625	11.5
149.13272	19.4
151.11185	100.0
153.09129	3.8
158.10912	2.2
163.14883	7.5
165.12749	7.6
166.37152	1.3
167.14308	1.5
173.13258	14.9
177.05545	2.4
181.08627	1.6
191.14302	44.8
209.15376	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	2.3
55.01870	2.9
55.05276	2.0
55.05518	27.8
57.03429	4.3
57.07066	5.9
59.04992	2.9
65.03944	1.5
67.05504	13.8
69.03417	4.6
69.07075	7.1
70.86697	3.3
71.04974	4.7
71.32327	1.4
79.05497	9.7
81.07063	20.2
83.04988	58.3
83.08611	11.0
85.06539	3.0
86.30764	1.4
91.05482	7.4
93.07060	18.1
95.04966	27.0
95.08605	15.6
97.06519	14.3
97.10169	3.9
99.04449	6.3
99.08087	2.7
105.07026	10.7
107.04993	1.6
107.08602	30.6
109.06525	100.0
109.10163	29.3
111.08070	8.1
113.09648	1.9
117.07007	1.9
119.08573	6.2
121.06499	3.5
121.10149	23.4
123.08081	17.8
123.11741	8.0
125.06009	1.7
125.09635	10.7
127.07563	2.3
130.54626	1.6
131.08580	11.0
133.10139	25.4
135.08080	20.7
137.09612	2.4
139.07547	2.1
145.10129	3.3
147.11658	3.1
149.09619	20.8
149.13298	14.6
151.11185	19.9
153.09113	19.6
158.10915	3.6
163.14835	7.2
165.12753	2.1
167.10698	1.4
167.14322	20.0
173.13287	15.8
191.14307	21.4
203.95123	1.8
209.08070	1.5
209.11833	2.8
209.15385	47.2
228.43811	1.5
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
53.03952	1.6
55.01870	1.4
55.05513	3.5
56.96560	0.4
57.03421	0.8
57.07076	2.3
59.05000	1.4
60.64345	0.3
65.03936	0.7
67.05180	0.4
67.05505	5.4
69.03430	12.6
69.07076	5.0
69.40801	2.6
71.04996	1.7
71.34613	0.3
79.05496	4.3
81.03418	11.1
81.07058	9.5
83.04987	4.3
83.08620	1.4
85.06539	0.9
91.05484	3.7
92.61057	0.3
93.03387	0.5
93.07047	7.3
95.04971	8.6
95.08604	10.2
97.06523	1.6
99.04489	0.6
99.08103	1.7
103.05476	0.9
105.07026	6.9
106.04158	1.2
107.04955	0.5
107.08591	14.7
108.55418	0.3
109.06516	18.3
109.10151	2.7
110.07285	0.9
111.08082	1.0
113.09528	0.3
117.07027	1.1
119.08580	5.4
121.06503	4.0
121.10147	14.3
122.07269	0.5
123.08069	11.7
123.08961	0.6
123.11706	8.7
125.05936	0.5
125.09615	1.5
131.04904	0.4
131.08545	1.4
133.10149	2.1
135.08072	4.5
135.11674	2.0
137.09634	2.9
137.13274	2.3
143.08559	0.5
145.10138	2.6
147.11679	3.9
149.05981	1.9
149.09628	12.4
149.13257	6.9
151.11194	6.1
153.01871	0.5
153.05513	0.4
153.09125	0.9
163.07503	0.3
163.11192	3.6
163.14816	1.3
165.12753	100.0
166.13107	0.6
167.14314	0.7
173.13274	2.4
177.05415	1.8
181.04999	0.4
181.08670	0.6
181.12144	0.4
191.10667	1.0
191.14307	4.5
209.04504	0.4
209.08115	1.2
209.15367	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01855	7.3
55.05511	89.3
57.03420	2.9
57.07058	4.6
59.04986	4.5
60.22463	1.6
67.05502	20.2
69.03427	10.6
69.07064	12.7
70.88612	1.7
70.88992	2.9
70.89323	2.2
71.04992	11.8
79.05067	2.1
79.05494	21.7
81.07056	26.0
83.04980	100.0
83.08618	54.3
85.06528	6.6
91.05472	15.6
93.07050	28.5
94.53857	1.7
95.04973	22.7
95.08609	15.1
97.06540	20.2
97.10177	13.3
98.97553	1.9
99.04440	4.1
99.08092	9.3
103.05448	2.3
105.07034	18.4
106.04183	3.0
107.04922	10.0
107.08594	51.0
109.06523	40.5
109.10163	40.1
111.04420	4.5
111.08080	17.9
113.09621	2.6
117.07001	3.2
119.08591	10.4
121.06532	14.8
121.10140	33.2
123.04373	2.4
123.08053	7.4
123.11684	17.6
125.05975	5.7
125.09625	34.5
127.07578	1.7
129.06934	1.9
130.07794	1.7
131.08560	40.5
133.10124	20.4
135.08076	9.9
135.11685	5.8
137.09601	3.8
139.07516	2.5
139.11215	2.6
143.08481	2.1
145.10153	19.7
147.07999	2.3
147.11708	4.7
149.05974	6.1
149.08420	3.7
149.09618	73.4
149.13257	19.4
151.11183	69.7
153.05460	3.5
153.09088	17.8
154.09843	2.2
163.07582	2.0
163.11180	12.5
163.14838	3.1
165.09117	4.8
167.10606	4.5
167.14322	91.2
173.09647	3.8
173.13290	12.4
177.05444	5.8
179.30507	1.7
191.10692	25.5
191.12471	2.9
191.12767	2.5
191.14281	18.3
195.05957	1.5
209.08073	3.9
209.11806	27.4
209.15359	67.7
211.79169	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	3.8
55.01855	4.5
55.05513	94.1
55.94494	1.9
56.96538	2.4
57.03410	3.1
57.07054	5.0
59.04981	5.6
65.03926	2.8
67.05502	12.3
67.56622	2.1
69.03434	23.5
69.07068	11.7
70.22920	5.6
70.23312	3.5
71.04965	6.2
72.22629	1.8
77.85334	1.8
79.05493	12.6
81.07054	18.6
83.04984	72.0
83.08620	60.0
85.06514	6.9
86.55769	1.8
88.44174	1.7
91.05475	11.8
93.06489	2.2
93.07042	42.4
95.04971	52.2
95.08621	16.1
96.61463	1.9
97.06537	12.7
97.10182	10.7
98.97555	1.9
99.04462	12.6
100.11217	5.5
103.05434	2.8
105.07040	13.9
107.07887	2.5
107.08599	47.3
109.06518	27.0
109.09478	2.6
109.10162	36.1
109.43974	1.9
111.08083	12.2
113.09620	3.6
113.91898	1.8
119.08540	6.6
121.06519	4.7
121.10146	100.0
123.08043	5.1
123.11713	12.1
125.09622	13.9
129.72025	1.7
131.08514	7.5
133.10126	21.7
135.08025	5.2
135.11685	5.8
137.09645	2.6
145.10089	3.9
147.11729	2.8
149.05978	3.8
149.13268	15.2
149.58763	1.9
151.11183	58.5
153.09102	18.2
158.10884	2.1
163.14832	20.7
166.03888	1.7
167.14316	83.1
173.13286	10.5
177.05403	4.6
191.14310	19.6
193.93420	2.4
209.04326	2.2
209.07904	2.7
209.10103	2.2
209.15311	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03951	4.2
55.01870	5.0
55.05515	94.5
59.05013	5.2
65.03945	2.9
67.05510	10.8
69.03432	8.6
69.07066	8.0
69.63151	12.7
69.63475	3.2
71.04996	3.1
77.40520	1.9
79.05488	10.3
81.07063	16.4
83.04487	4.4
83.04989	92.5
83.08621	49.6
85.06552	3.8
91.05477	9.1
93.03386	2.3
93.07046	24.7
95.04974	32.5
95.08624	9.3
97.06548	11.7
97.10178	6.5
99.04471	6.5
102.36773	1.8
103.05464	2.0
105.07030	9.0
105.46251	2.0
106.04205	5.5
107.08610	36.3
109.06527	24.4
109.10152	31.2
111.08096	15.4
113.09634	3.6
119.08545	4.0
121.06530	8.8
121.10158	69.6
122.89342	2.4
123.08137	3.5
123.11710	13.0
125.09639	16.5
131.04922	2.5
131.08618	4.5
133.10156	12.0
135.08095	3.7
135.11682	3.1
140.34843	2.1
145.10126	3.9
147.11800	2.0
149.05934	10.4
149.13251	10.7
151.11192	57.8
151.12367	3.6
153.09081	10.6
163.14790	12.1
167.14331	100.0
173.13315	4.6
177.05501	7.4
181.08530	2.7
183.49521	1.9
191.14302	11.6
209.08054	4.4
209.15382	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03944	2.7
53.50328	1.4
55.01861	6.2
55.05513	96.8
56.96547	1.8
57.03420	2.4
57.07069	2.5
59.04990	4.1
67.05513	9.7
69.03123	1.6
69.03431	14.2
69.07069	7.0
71.04989	3.2
71.20054	2.9
73.45210	1.3
79.05483	8.6
81.07063	18.3
83.04985	100.0
83.08619	58.9
83.09354	1.5
85.06520	4.6
91.05492	7.7
93.07056	13.3
95.04974	9.4
95.08603	8.4
96.72620	1.3
97.06535	12.2
97.10172	11.5
98.85473	1.5
99.04440	1.7
103.05478	2.5
105.07032	7.7
105.50527	1.4
106.04200	3.6
107.04907	1.5
107.08595	28.7
109.06524	14.0
109.10162	26.4
111.08095	11.9
113.09627	2.9
119.08585	4.0
121.06500	6.4
121.10143	20.4
123.08088	3.7
123.11693	12.7
125.06023	2.9
125.09650	17.3
131.04918	2.3
131.08583	7.3
133.10168	11.6
135.08064	3.4
135.11682	3.2
137.09575	1.8
145.10133	3.3
148.05278	1.8
149.06021	10.5
149.09605	4.0
149.13290	11.5
151.11197	62.3
152.08345	1.7
153.09084	4.6
163.14851	3.8
167.14322	98.5
168.14655	1.4
173.13258	4.8
177.05461	9.3
191.10800	2.2
191.14326	6.8
209.08061	6.2
209.11942	2.6
209.15378	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03936	1.6
55.01883	7.3
55.05516	8.1
56.96547	2.7
57.03438	3.0
57.07059	2.2
57.52090	0.8
65.03944	1.8
67.05509	8.0
69.03419	3.2
69.07072	15.6
69.60247	5.0
71.05000	19.3
77.03928	1.6
79.05499	42.0
81.03401	0.8
81.07070	9.9
83.04990	10.3
83.08613	1.9
85.02905	1.0
85.06536	1.8
89.03915	1.1
91.05486	22.5
93.03407	2.0
93.07048	35.8
93.07641	2.0
95.04976	9.5
95.08598	3.3
97.06533	9.0
98.97582	3.6
99.04462	1.9
103.05493	2.2
105.07039	25.0
106.04162	3.8
107.04969	15.9
107.08604	50.9
109.06525	13.0
109.10164	3.8
111.04446	3.2
111.08085	1.4
116.04977	7.0
116.06277	1.8
117.07013	5.0
119.08591	8.6
121.06512	32.3
121.10152	28.8
123.04440	1.6
123.08065	4.6
125.06009	4.7
125.09664	4.4
129.06996	3.4
130.07779	3.3
131.08578	100.0
133.06538	1.5
133.10098	5.7
134.03529	0.9
135.04417	2.9
135.08038	4.3
135.11722	5.8
137.05992	1.9
139.07545	3.9
139.11212	0.9
141.05463	2.7
145.10129	32.4
147.08070	5.0
147.11693	3.5
149.06029	7.9
149.09627	69.4
149.13281	1.6
150.09982	1.1
151.07550	1.5
151.11180	2.7
153.05484	12.0
153.09120	3.7
155.07025	1.3
158.99637	2.7
163.11195	26.1
163.14851	1.4
165.09145	3.4
167.07109	6.0
167.10701	4.4
167.14352	2.6
173.09621	4.3
173.13289	2.8
177.00725	1.4
177.05511	3.7
191.10684	30.4
191.14302	5.7
200.07059	1.0
209.04460	1.7
209.08113	3.3
209.11748	54.1
209.15265	10.1
222.54944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03952	2.5
55.01867	5.2
55.05487	4.7
55.39688	1.0
57.03421	2.9
61.01685	0.9
66.76514	1.0
67.05500	7.1
69.03413	3.0
69.07073	16.2
69.59902	1.3
69.60313	4.4
71.04996	22.6
79.05495	37.9
81.07055	5.5
83.04984	8.1
83.34209	1.1
91.05475	21.2
93.03384	1.2
93.06485	2.2
93.07044	32.7
95.04965	7.1
95.08591	1.5
97.06535	5.7
98.21570	2.0
99.04518	1.1
103.05434	2.2
105.07028	24.6
106.04099	1.4
107.04961	18.3
107.08593	51.1
109.06515	5.3
109.10091	1.0
111.04370	2.4
116.06255	1.7
117.07000	6.7
119.08562	7.8
121.06499	34.9
121.10146	28.1
121.11024	1.1
123.04439	1.3
123.08081	2.8
125.05999	6.2
128.06216	1.1
129.06975	3.1
130.07779	1.6
131.08569	100.0
135.04437	1.4
135.08028	4.0
135.11676	3.7
137.05882	1.7
139.07529	2.9
141.05470	3.4
143.08636	1.1
145.10123	34.0
147.08037	3.9
147.11684	3.7
149.05978	6.6
149.09622	80.8
151.07545	2.1
153.05464	11.5
153.09071	1.6
157.85701	1.1
163.11194	26.2
165.09125	3.3
167.07018	4.7
167.10675	4.9
173.09636	4.4
177.05522	2.0
178.09872	1.9
184.93245	1.0
191.10683	32.1
191.14360	1.1
209.11739	58.6
209.88219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03937	2.7
55.01876	5.8
55.05518	10.4
57.03426	2.4
57.07092	1.2
65.03951	1.3
67.05508	20.8
69.03429	3.3
69.07076	11.4
71.04997	20.1
71.27358	1.5
79.05496	37.3
81.03416	2.0
81.07059	10.9
83.04991	17.3
83.08624	4.3
85.06535	4.1
87.04466	1.5
89.56936	0.8
91.05490	22.9
93.06486	2.0
93.07053	33.7
94.11634	0.9
95.04980	14.6
95.08607	3.9
97.06536	11.1
99.04489	1.2
99.08076	1.8
103.05462	2.0
105.07040	31.2
106.04188	4.4
107.04298	1.7
107.04968	21.5
107.08601	46.0
109.06526	18.7
109.10186	5.2
111.04453	6.7
111.08064	1.1
115.05412	1.0
116.06235	2.0
117.07024	9.0
119.08596	13.7
119.92627	0.8
121.05827	0.7
121.06512	29.8
121.10158	31.5
121.11038	2.0
123.04417	4.1
123.08056	3.4
123.11751	1.3
125.06021	11.3
125.09626	2.5
129.07022	7.4
130.07788	3.5
131.08578	84.5
133.06422	0.9
133.10123	6.3
135.08069	4.5
135.11693	6.6
137.05978	3.2
137.09567	1.7
139.07581	2.2
140.49419	0.9
141.05435	1.4
143.08624	1.1
145.06491	1.6
145.10136	43.0
147.08044	9.0
147.11673	2.8
149.05997	8.5
149.09630	100.0
151.11169	4.3
153.05487	6.6
153.09097	4.4
155.07022	1.5
155.08469	1.2
163.07596	6.4
163.11191	33.4
163.14810	1.2
165.09125	19.6
167.07083	4.2
167.10693	18.2
167.14336	7.1
173.09639	11.2
173.13277	2.9
177.05464	3.1
181.08524	1.3
181.12167	1.0
191.10686	56.4
191.14302	3.1
209.11749	81.3
209.15334	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03931	2.2
55.01667	1.0
55.01875	11.9
55.05511	7.4
57.03425	3.7
57.07054	1.4
61.96939	1.2
67.05505	6.8
69.03422	6.1
69.07072	14.7
69.62782	6.9
71.04997	22.7
74.23379	1.3
79.05497	41.0
81.07054	5.0
83.04998	8.2
83.08617	1.3
89.72924	1.3
91.04967	2.1
91.05482	23.3
93.03422	1.4
93.07045	35.1
95.04979	8.1
95.08579	1.5
97.02973	1.3
97.06533	8.1
99.01025	1.1
99.04458	2.4
103.05466	2.6
105.07037	27.6
106.04165	2.1
107.04973	19.4
107.07870	2.5
107.08596	51.3
109.06504	5.0
111.04465	3.4
111.08135	1.5
116.06228	2.1
117.06994	5.1
119.04944	1.8
119.08601	7.0
121.02872	1.2
121.05669	2.1
121.06512	38.1
121.10150	34.0
123.04447	1.5
123.08076	2.7
125.02319	1.7
125.05994	9.3
125.09613	2.6
127.03866	2.3
129.06979	2.7
130.07805	2.5
131.08574	100.0
133.10120	2.7
135.04437	2.9
135.08075	3.2
135.11668	5.8
137.05994	1.8
139.03914	2.1
139.07503	2.7
139.11234	1.7
141.05473	2.9
143.03423	1.3
143.08499	1.6
145.10124	38.7
147.08029	4.6
147.11685	3.1
149.02364	4.4
149.06018	6.9
149.09628	77.1
151.07513	2.2
151.11108	1.4
153.01828	40.5
153.05473	20.5
163.03940	15.2
163.09863	2.5
163.11189	31.5
165.09143	1.8
167.03424	6.6
167.07047	6.4
167.10704	3.0
173.09610	4.3
173.13106	1.3
177.05472	5.0
178.09897	1.5
181.04962	24.9
191.03403	3.6
191.10669	32.6
191.14319	3.3
194.01988	1.4
209.04459	59.0
209.08101	3.4
209.11737	68.8
209.15385	4.5
219.12886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03946	6.4
55.01640	1.0
55.01877	17.7
55.05515	5.7
56.96564	1.0
57.03434	1.7
57.07074	2.0
61.02919	1.0
65.03945	12.1
66.04716	1.1
67.05502	7.0
69.03419	4.0
69.07066	4.2
69.33948	5.5
69.34375	3.0
71.04985	3.2
75.04478	9.6
77.03912	2.4
78.04715	12.5
79.05493	11.6
79.08904	0.9
81.03402	2.7
81.07048	6.9
83.04987	5.7
83.08616	3.5
85.02914	9.2
85.06558	2.2
89.03928	5.3
89.06012	2.8
91.05485	47.8
93.03409	30.7
93.07044	22.7
95.04969	19.5
95.08616	6.4
96.05761	0.9
97.06525	11.8
98.21538	2.1
99.04475	1.4
103.05476	19.3
105.03409	2.3
105.04525	3.1
105.07053	5.8
106.04182	80.0
107.04968	6.0
107.08598	10.0
107.65040	0.9
108.05746	2.0
109.06524	20.8
109.10162	5.3
110.03625	1.5
111.04441	1.6
111.08074	1.6
117.03371	5.2
119.04943	4.1
119.06110	2.0
119.08597	2.7
120.05752	1.5
121.06510	82.5
121.10129	6.4
122.03644	1.9
122.07284	2.1
123.04423	4.4
123.08092	5.4
123.11703	1.7
124.05219	2.5
125.06004	19.4
125.09637	5.0
131.04959	6.3
131.05861	1.3
131.08554	3.3
133.02841	1.4
133.06464	1.7
133.10130	3.5
134.03644	13.1
135.04427	3.7
135.08096	6.6
135.11690	2.7
137.05974	14.2
138.06737	5.7
139.07553	6.3
145.02872	5.9
145.10124	4.0
147.04343	1.7
147.11714	1.2
148.05199	9.1
149.05989	100.0
149.09645	5.5
149.13266	3.2
151.03918	2.1
151.07524	4.2
151.11206	4.9
152.08284	3.5
153.05524	6.1
153.09106	23.0
159.04422	1.8
162.03165	1.4
163.03943	1.5
163.07538	6.2
163.11189	3.7
163.14883	1.4
165.05479	2.1
165.12769	6.4
166.06337	5.0
167.07111	2.0
167.14316	2.4
173.09628	1.2
173.13266	3.6
176.04706	1.3
177.05467	42.8
179.07028	0.9
180.07866	1.2
181.08597	22.7
182.31804	1.0
191.07021	7.7
191.10687	1.4
191.14275	12.3
194.05772	1.4
209.04457	2.2
209.08116	25.1
209.10178	3.9
209.11852	1.7
209.15353	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03931	2.4
55.01860	5.0
55.05508	6.7
57.03428	3.1
57.07071	1.1
67.05504	18.6
69.03427	2.2
69.07072	10.0
69.63519	7.4
71.04997	19.7
79.05496	45.0
81.07063	9.4
83.04984	11.1
85.06531	3.6
85.41102	1.5
91.05479	21.5
93.07046	29.4
95.04974	10.7
95.08595	3.5
97.06560	6.2
105.04536	1.5
105.07035	23.9
106.04147	1.2
107.04959	22.9
107.08595	41.6
109.06541	7.3
111.04448	7.9
116.06246	2.1
117.07007	7.4
119.08582	12.5
121.06516	24.9
121.09325	1.8
121.10147	23.3
123.04407	4.6
123.08047	2.3
125.05979	12.2
129.07016	7.0
130.07777	3.6
131.08571	85.5
132.14914	1.2
133.10037	1.6
135.08066	4.3
135.11700	6.5
137.05965	1.8
139.07526	2.4
141.05400	1.6
145.06534	1.3
145.10126	42.3
147.08040	7.7
147.11700	2.5
149.05986	4.9
149.09628	100.0
153.05441	6.2
155.07124	1.8
163.07544	3.5
163.11195	32.6
165.09116	20.9
167.07034	3.0
167.10664	20.1
173.09616	10.5
179.10580	1.3
191.10667	61.4
209.11736	85.5
221.04539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.3
55.01635	1.2
55.01876	17.5
55.05517	6.2
57.03439	2.7
57.07069	3.5
65.03954	10.6
67.05518	10.6
69.03441	9.7
69.07082	8.0
69.49136	9.5
71.04993	6.9
75.04481	7.7
77.03918	2.6
78.04706	11.7
79.05496	18.4
81.03413	5.2
81.07057	15.1
83.04992	9.7
83.08617	4.2
85.02917	9.1
85.06525	3.7
89.03909	5.0
89.06019	1.5
91.05491	48.3
93.03419	22.3
93.07059	28.0
95.04982	20.1
95.08624	8.9
96.35770	1.3
97.06533	11.8
97.10174	1.4
98.97556	4.5
99.04445	2.4
99.08124	2.0
100.02483	1.6
102.96867	1.4
103.05480	17.4
105.03376	2.1
105.04514	2.7
105.07063	8.8
106.04185	66.8
107.04967	9.3
107.08608	21.4
108.02094	1.6
108.05759	1.6
109.06532	10.7
109.10181	5.7
111.04444	2.7
111.08106	3.4
117.03402	6.0
117.07011	2.7
119.04951	4.9
119.08580	3.7
120.05760	1.3
121.06517	75.5
121.10153	14.6
122.07290	2.4
123.04432	3.7
123.08103	6.7
123.11678	3.3
125.06005	22.1
125.09657	12.7
131.04939	4.8
131.08601	9.3
133.02850	2.1
133.06496	2.4
133.10175	6.8
134.03650	12.0
135.04442	3.2
135.08044	11.0
135.11679	3.8
137.05977	12.7
137.09616	2.7
138.06758	3.2
139.07593	6.9
145.02870	7.1
145.10139	5.8
147.00015	1.2
147.04417	2.0
147.11678	4.7
148.05226	6.7
149.05998	100.0
149.09633	12.6
149.13292	6.0
151.03917	3.4
151.07516	3.7
151.11174	4.7
152.08264	4.0
153.05487	6.1
153.09129	23.1
158.10876	1.6
158.99634	1.4
159.04390	1.7
163.03976	2.0
163.07533	5.4
163.11191	4.4
163.14813	3.0
165.12764	7.1
166.06236	3.7
167.14232	2.5
170.67410	1.2
173.13257	7.7
177.05489	51.8
181.04874	2.3
181.08606	20.0
188.08815	3.4
191.07043	6.6
191.10646	2.7
191.14317	28.2
198.21785	1.3
209.04485	3.3
209.08116	25.6
209.10091	2.9
209.11739	3.6
209.15392	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03944	7.8
55.01876	18.4
55.05501	5.8
57.03427	2.5
65.03947	10.4
67.05496	5.7
69.03410	3.4
69.07054	2.5
69.50353	3.4
69.50744	9.9
71.05006	3.2
75.04493	10.8
75.28384	1.2
77.03934	2.0
78.04723	10.2
79.05508	8.6
81.03431	2.1
81.07048	4.6
81.35448	1.4
83.04976	6.2
83.08617	3.3
85.02899	7.4
89.03917	8.1
89.06023	3.2
91.05489	42.0
93.03410	26.5
93.07050	22.4
95.04971	17.1
95.08617	2.7
97.06535	9.9
103.05470	19.7
105.03401	2.0
105.04532	3.6
105.07024	5.5
106.04182	83.5
107.04961	5.3
107.08586	6.6
109.06515	21.5
109.10159	6.0
111.08094	2.4
117.03405	15.8
119.04944	4.1
119.06107	1.7
121.06516	73.2
121.10185	3.8
122.07271	2.5
123.04440	3.2
123.08052	4.5
125.06007	20.8
125.09598	2.8
126.25341	1.6
131.04944	6.6
131.05850	1.5
131.08540	2.7
133.10172	2.4
134.03661	13.0
135.04436	3.8
135.08095	7.8
137.05989	15.7
138.06746	4.4
139.07530	5.1
145.02869	17.9
147.04439	2.0
148.05185	7.7
149.05994	100.0
149.13350	1.5
151.07542	4.4
151.11230	5.7
152.08293	3.5
153.05487	5.5
153.09103	21.7
156.26462	1.7
159.04303	1.6
163.07547	5.6
163.11182	2.0
166.06279	3.5
167.14293	1.7
173.13284	2.7
177.05479	67.2
180.07796	2.7
181.08600	22.9
191.07014	8.0
191.14333	7.8
209.08105	25.5
209.09935	2.5
209.15407	7.7
222.10556	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02394	1.1
53.03949	7.0
55.01628	1.4
55.01876	18.1
55.05513	9.0
56.96558	1.5
57.03433	2.6
57.07065	3.2
61.02917	1.8
65.03942	10.2
67.05511	8.7
69.03424	4.2
69.07069	6.4
70.14448	3.7
71.04989	6.7
75.04488	8.8
77.03921	2.0
78.04707	10.0
79.05497	15.7
81.03416	3.8
81.07067	10.0
83.04978	5.5
83.08614	4.2
85.02911	8.3
85.06527	3.1
89.03921	7.0
89.06047	2.8
91.05486	46.5
93.03409	26.9
93.07050	28.7
95.04971	21.2
95.08612	8.9
96.05733	1.3
97.06538	13.0
97.10211	1.4
98.97580	4.6
99.04440	1.8
99.08080	1.9
102.96872	1.2
103.05469	22.1
105.03402	3.0
105.04515	3.8
105.07021	8.2
106.04178	78.8
107.04971	7.0
107.08588	17.4
108.05813	1.3
109.06519	14.8
109.10161	5.5
111.04469	3.2
111.08070	4.7
113.09666	1.0
117.03397	5.2
117.07027	1.3
118.04206	2.0
119.04942	3.6
119.08578	3.8
120.05750	2.0
121.06509	82.1
121.10143	10.6
122.03707	2.0
122.07283	2.5
123.04407	3.1
123.08048	5.9
123.11700	4.0
124.05235	2.0
125.05997	20.8
125.09639	9.2
125.11156	1.1
128.02327	1.1
131.04930	6.8
131.08565	8.6
133.02861	1.5
133.06516	2.5
133.10115	6.3
134.03645	13.9
135.04417	3.3
135.08098	6.7
135.11693	4.2
137.05977	14.3
137.09590	1.4
138.06760	4.6
139.07539	7.4
145.02846	3.9
145.10143	4.5
147.04442	3.0
147.11700	5.7
148.05200	7.3
149.05988	100.0
149.09599	11.0
149.13261	6.8
151.03903	2.4
151.07561	4.9
151.11218	7.9
152.08243	3.7
153.01830	1.7
153.05472	8.4
153.09109	27.1
158.99664	2.2
159.04419	2.5
163.03998	1.6
163.07532	5.1
163.11208	5.2
163.14793	2.9
165.05463	1.3
165.12761	4.1
166.06291	3.9
167.14357	4.1
173.13210	5.1
176.04730	1.6
177.05469	46.5
178.69337	1.0
181.08611	25.7
181.10207	1.3
188.08853	1.5
191.07027	6.4
191.10678	3.2
191.14330	19.9
197.51860	1.0
201.56012	1.1
209.04462	3.1
209.08127	25.7
209.10173	4.1
209.11766	3.2
209.13419	2.4
209.15370	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	6.1
54.54798	1.8
55.01886	2.5
55.05503	17.6
56.96573	9.0
57.03411	2.6
59.04998	4.2
65.03943	1.6
67.05504	10.0
69.03429	41.1
69.07060	5.7
69.72031	4.5
69.72439	5.2
69.95798	1.6
71.04980	3.2
73.02889	3.0
79.05492	15.7
81.03424	14.7
81.07053	12.2
83.04977	8.9
83.08607	3.2
85.02885	4.7
89.07916	1.8
91.05478	24.3
93.07045	21.3
95.04944	5.4
95.08599	14.5
97.02860	4.7
97.06559	4.2
98.97585	30.1
103.05453	2.2
105.07027	21.3
107.04944	6.0
107.08607	17.9
109.02901	1.8
109.06530	8.4
109.10149	5.8
110.97564	3.2
111.08044	2.3
115.05468	1.8
116.98605	6.8
117.07016	2.3
119.04922	7.0
119.08580	14.6
121.05669	3.6
121.06512	62.4
121.10121	9.2
123.08072	26.2
123.11692	1.8
125.06015	5.9
125.09612	2.7
128.06215	1.9
129.06961	3.8
131.08618	2.5
133.06505	41.5
133.10097	9.3
134.99622	2.7
135.08070	13.9
135.11710	8.1
137.02765	2.2
137.09602	8.9
143.08501	2.7
145.10130	5.1
147.04445	8.6
147.08028	7.8
147.11700	11.6
149.02339	3.7
149.06088	1.8
149.09622	11.6
151.07573	11.5
153.09109	5.4
153.12712	2.8
156.09308	2.0
158.99638	14.9
161.05986	6.3
161.09669	8.3
161.13234	6.5
163.11182	100.0
165.06770	1.8
165.09125	3.2
165.12737	6.2
171.11710	3.5
175.07597	1.9
176.08324	11.3
177.00703	8.9
177.06831	2.2
177.09068	1.9
179.07033	5.8
179.14267	2.4
183.10272	2.4
183.12363	1.6
186.07253	12.4
186.57426	4.1
187.07977	2.8
189.05440	2.0
189.09137	3.3
189.12708	16.0
195.07820	7.4
206.58476	2.2
207.06544	17.4
207.10063	10.5
207.13805	55.0
207.15765	3.3
207.17569	3.1
209.08469	2.7
219.01741	2.5
227.09502	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
50.32409	0.8
51.02374	1.3
53.03950	6.9
55.01879	2.4
55.05513	9.5
56.96565	3.5
57.03439	2.0
57.07077	2.0
59.04989	0.8
61.02926	0.8
65.03939	1.6
65.61774	0.6
67.05509	28.7
69.03438	7.9
69.07069	6.3
69.70471	4.5
71.05001	4.2
73.02914	1.1
73.06554	1.5
77.03926	1.0
79.05497	49.6
81.03413	3.8
81.06589	1.5
81.07063	22.8
83.04994	8.7
83.08629	5.2
85.02907	3.0
85.06543	2.7
91.05485	50.9
93.07049	100.0
94.07365	1.0
95.04975	12.5
95.08609	13.8
97.02951	0.9
97.06523	2.5
97.10168	1.8
98.20787	1.0
99.04471	2.6
99.08118	1.1
103.05443	1.3
105.04539	3.3
105.07035	26.5
107.04983	1.8
107.08612	14.0
109.06540	5.7
109.10164	1.6
111.04437	2.0
111.08101	1.4
115.96442	2.2
117.07001	5.0
119.04916	0.7
119.08582	16.0
120.02000	1.2
121.06510	2.8
121.10146	3.6
123.08080	7.3
123.11682	0.8
127.07581	2.1
128.06262	1.1
128.97916	0.8
129.05466	3.2
129.07008	10.2
131.08575	1.4
133.06540	1.3
133.10159	7.1
133.97458	0.8
135.08084	0.9
137.09618	1.3
142.07782	0.8
143.03551	1.2
143.08542	5.7
145.10124	8.1
147.04422	1.3
147.06641	0.6
147.08060	2.9
147.11690	45.5
149.09621	1.9
149.46289	0.7
149.49112	1.3
149.57884	0.7
151.07559	1.5
156.09338	0.9
157.07777	1.0
161.02979	2.0
161.05989	1.0
161.09657	5.3
161.13280	10.0
163.11192	1.2
165.09059	0.9
165.12717	1.0
171.11696	22.3
175.08833	1.4
176.08388	1.3
179.14212	1.2
184.53197	0.7
189.09094	1.1
189.12753	12.5
189.16321	0.9
192.09384	1.1
207.06563	3.8
207.09856	2.4
207.11835	1.7
207.13795	31.8
207.17439	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03946	3.7
55.01860	4.1
55.05517	22.0
57.03426	3.1
59.04989	6.6
65.03904	2.9
67.05505	19.7
69.03431	15.3
69.07047	9.0
69.50058	17.2
71.04972	6.5
79.05053	2.2
79.05482	16.7
81.03406	11.1
81.07058	30.6
83.04992	12.6
83.08607	10.8
84.14708	2.2
85.02880	4.2
91.05486	25.1
93.06503	2.9
93.07045	45.9
93.07617	3.0
95.04979	12.7
95.08603	41.3
97.06528	5.8
98.97577	32.3
105.07028	54.3
107.04952	11.0
107.08599	49.8
109.06513	38.2
109.10159	19.9
111.04465	3.0
111.08070	3.8
116.98602	7.4
117.07030	5.5
119.04874	4.5
119.08585	57.2
121.06518	11.5
121.10152	27.2
123.08078	51.2
123.11732	13.0
128.02325	2.5
129.06975	3.9
131.08554	8.7
131.28630	2.5
133.06548	12.4
133.07423	3.0
133.10106	12.5
135.08040	11.7
135.11687	8.7
137.09627	49.8
137.13252	7.5
143.08569	4.3
145.10078	11.0
147.08107	13.4
147.11682	51.0
148.03819	2.5
149.09615	60.5
151.07549	15.6
153.09117	4.1
156.09351	13.4
158.99629	16.3
159.11670	7.6
161.09633	6.1
161.13252	28.6
163.11147	14.2
165.09129	2.6
165.12753	30.5
171.11664	15.2
174.10379	6.0
177.00684	8.2
177.12686	6.0
179.14294	3.8
189.09166	5.5
189.12746	40.1
207.06439	3.1
207.13795	100.0
207.15768	5.5
211.88309	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	207.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01866	2.5
55.05517	9.6
57.03430	4.8
57.07073	3.1
59.04995	3.9
65.03949	1.3
67.05516	9.8
69.03444	10.3
69.07080	8.2
71.04995	10.6
71.49930	2.7
79.05498	11.1
79.41579	1.3
81.03424	32.0
81.07068	17.8
83.05005	9.4
83.08614	2.8
85.02883	2.6
85.06542	1.9
91.05480	15.8
93.07044	26.5
95.04942	7.2
95.08611	39.7
97.06525	6.0
98.97591	2.3
99.08097	7.7
103.05470	1.8
105.07034	42.4
107.04962	9.6
107.08602	37.2
109.02887	1.7
109.06537	20.3
109.10181	7.4
111.04478	1.6
111.08071	3.4
113.09640	6.5
117.07017	5.0
119.04916	4.8
119.08585	37.7
121.06519	9.6
121.10157	25.7
123.04478	3.0
123.08080	34.6
123.11691	6.4
125.09630	3.0
127.07565	1.8
128.06242	2.4
129.07005	2.8
131.08582	10.4
133.06528	9.0
133.10126	15.4
135.08058	7.5
135.11682	6.3
137.09605	7.8
137.13246	4.0
141.06996	2.0
143.08618	2.4
145.06538	2.2
145.10143	9.4
147.08046	16.1
147.11700	40.9
149.09625	58.9
151.06328	1.2
151.07545	27.7
151.11188	1.6
156.09326	8.3
159.11778	3.8
160.08827	3.6
161.09666	7.9
161.13271	34.0
163.11180	16.5
164.04642	2.3
165.09117	8.8
165.12764	16.3
171.11671	14.3
174.10417	3.7
177.12787	3.8
179.07053	1.5
179.14307	5.0
189.12749	48.2
207.06618	7.2
207.13808	100.0
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
50.57510	1.3
53.03934	4.3
53.59056	1.5
55.01867	4.0
55.05504	9.0
56.96567	2.5
57.03426	5.3
57.07069	2.2
59.05007	3.4
67.05510	16.3
69.03132	1.4
69.03442	12.8
69.07085	7.6
69.76234	6.2
69.76648	2.8
71.04988	6.3
73.02908	1.7
76.54960	1.3
79.05500	20.3
81.03422	33.8
81.07062	20.5
83.04997	10.9
83.08593	2.2
85.02893	3.5
85.06545	3.3
91.05495	19.7
93.07062	34.4
95.04975	9.1
95.08617	49.2
97.06518	8.2
98.97593	20.7
99.08093	8.1
103.05424	2.6
105.07037	48.0
107.04976	12.1
107.08603	46.5
109.06525	28.5
109.10171	11.5
111.08089	3.6
113.09652	4.8
116.98601	3.6
117.07025	6.3
119.04968	4.9
119.08595	49.3
121.06533	8.9
121.10145	32.3
123.04457	1.5
123.08080	42.1
123.11711	9.4
125.09606	5.0
129.06985	3.5
130.07817	1.5
131.08580	12.0
133.06525	11.0
133.10141	16.3
135.08055	5.8
135.11696	9.8
137.09622	14.5
137.13261	4.6
139.07430	1.5
143.08563	4.9
145.10147	11.1
147.08047	20.0
147.11713	39.3
149.08427	2.9
149.09625	56.8
151.07599	13.5
156.09306	8.9
158.99678	9.8
159.08073	2.6
159.11679	4.6
160.08908	2.5
161.05914	2.6
161.09654	9.8
161.13266	27.9
163.11174	16.5
165.09145	9.5
165.12761	22.4
171.11707	17.7
174.10390	4.4
177.00786	5.7
177.12759	5.5
179.14313	5.5
181.80896	1.7
189.09129	1.7
189.12755	50.7
207.06496	4.6
207.10249	4.2
207.13809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.3
53.28741	0.7
55.01863	1.4
55.05506	6.0
57.07076	4.2
59.05011	1.6
65.03960	0.8
67.05510	25.8
69.03426	3.4
69.07069	3.5
70.89167	1.8
71.05011	1.6
78.76524	0.7
79.05499	4.8
81.07053	5.4
83.04984	2.7
83.77292	0.6
85.02909	3.0
85.06547	10.6
91.05479	7.9
93.07039	12.3
95.04971	4.7
95.08612	100.0
96.08979	0.8
105.07029	14.0
107.08600	18.2
109.06491	4.6
109.10177	2.6
111.08110	1.0
113.06022	6.9
116.06252	1.3
117.06967	1.2
119.04914	1.0
119.08585	22.1
120.09362	0.9
121.06503	2.9
121.10148	13.0
123.08076	42.7
123.11693	4.7
125.09589	1.4
129.06999	0.9
131.08577	4.1
132.85257	0.7
133.06490	2.3
133.10135	5.2
135.08099	1.4
135.11671	5.6
137.09616	3.9
137.13297	1.8
145.10106	1.8
147.03152	0.7
147.08047	5.4
147.10573	0.6
147.11700	14.6
148.97523	0.7
149.09628	49.4
149.52148	0.7
151.07565	2.3
151.14847	3.7
156.09348	2.4
157.59964	0.8
159.08098	1.2
160.08884	1.1
161.09608	2.0
161.13261	15.3
163.11153	1.5
165.09149	0.9
165.12752	10.2
171.11717	3.6
174.10425	3.1
179.14284	2.1
189.12764	20.4
199.61012	0.7
207.13814	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.14315	1.3
55.01871	1.5
55.05508	9.0
56.82057	1.2
57.03431	5.4
57.07066	3.4
63.53701	1.0
67.05505	11.9
69.03084	1.8
69.03430	28.5
69.07069	14.0
70.43480	1.0
70.53137	1.6
70.53475	2.6
71.04980	1.8
79.05495	14.1
81.03415	2.3
81.07054	28.1
83.04976	22.2
85.02908	1.5
85.06516	3.4
91.05482	17.7
93.07047	16.7
95.04975	6.2
95.08607	20.7
97.06530	4.2
99.04469	1.4
103.05458	1.6
103.37201	1.0
105.07031	37.2
107.04942	4.3
107.08597	23.0
109.06518	57.0
109.10154	5.2
111.08091	1.7
117.07012	3.4
119.04912	2.9
119.08578	48.3
121.06493	4.1
121.10143	19.6
122.10876	1.2
123.04436	1.3
123.08066	81.6
123.11723	5.6
128.06223	2.0
129.06982	3.3
131.08566	2.8
133.06488	7.3
133.10127	16.0
135.08055	6.2
135.11716	3.9
137.09630	6.5
139.07492	1.5
143.08553	8.7
145.10124	4.3
146.07292	1.1
147.08040	17.6
147.11682	24.9
149.09622	14.0
151.07545	8.1
151.11125	1.2
156.09396	2.5
159.11665	3.4
161.09654	10.1
161.13261	21.3
163.11143	3.0
165.09123	3.7
165.12769	6.7
171.11649	4.4
174.10422	1.8
177.12773	5.4
179.10681	1.4
179.14299	1.9
189.09077	3.9
189.12738	13.8
207.10303	15.9
207.13800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.53133	0.3
53.03943	0.4
55.05501	0.9
56.96560	0.7
64.97299	0.3
66.89569	0.3
67.05489	0.9
69.03429	0.7
69.07069	0.5
70.50940	0.6
70.51309	0.6
71.04998	0.6
76.47094	0.3
78.04681	0.4
79.05478	1.5
81.03438	0.4
81.07047	1.2
83.04982	0.9
83.08595	0.3
85.02888	0.8
91.05483	3.8
93.07049	2.2
95.04958	0.6
95.08609	1.4
97.06550	0.6
98.97581	3.1
103.05453	1.1
104.06243	0.8
105.03357	0.5
105.07032	5.0
107.04957	0.7
107.08592	1.7
109.06498	1.2
109.10142	0.9
111.08023	0.3
115.05473	2.8
116.06213	0.4
116.98637	0.7
117.07035	1.8
118.04177	0.6
119.04920	0.7
119.08600	1.6
119.46833	0.3
121.06512	3.2
121.10130	1.2
123.08028	1.8
123.11687	0.3
125.05991	1.8
125.09592	0.4
129.03380	1.5
130.04114	0.4
131.04948	4.0
131.08563	0.4
132.05721	2.9
133.06497	12.7
133.10130	0.5
134.07265	0.4
135.08060	2.3
135.11682	0.5
136.05203	0.7
137.05988	0.5
137.09662	1.4
137.13268	0.4
138.06735	0.7
139.07520	0.4
143.06046	0.4
144.05693	0.4
145.06494	2.8
146.07257	2.5
147.04390	0.9
147.08049	4.9
147.11633	1.4
149.05974	3.6
149.09599	2.4
151.07552	5.1
151.11076	0.5
153.09091	0.9
156.09338	0.5
158.99686	1.8
159.08057	0.4
160.05231	2.0
161.05983	40.5
161.13272	0.8
162.06635	1.1
163.03868	0.4
163.07550	3.6
163.11148	0.6
164.04683	0.4
164.08347	1.5
165.09132	1.1
165.12733	0.9
171.11818	0.5
174.06796	0.7
175.07558	7.1
176.08328	100.0
177.00688	0.7
177.05473	6.9
177.09085	5.8
179.06961	0.5
179.10718	1.5
179.14346	0.6
183.46698	0.3
186.07283	1.0
189.09076	0.3
189.12740	1.8
191.07047	0.8
191.86479	0.3
192.07813	11.9
195.07848	2.3
195.57898	0.5
207.06534	1.7
207.10172	49.8
207.13776	4.7
208.10349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03955	6.3
55.01861	1.2
55.05514	8.9
57.07060	1.3
65.03923	1.0
67.05510	30.3
69.03423	1.3
69.07072	6.2
69.19382	4.7
69.19813	3.6
71.04993	2.5
71.16463	0.8
73.06550	1.3
77.03907	2.1
78.13634	0.8
79.05501	54.5
81.03416	1.9
81.07061	21.5
82.99020	0.8
83.04971	4.4
83.08618	3.2
85.02898	1.2
85.06549	2.8
88.41359	0.8
91.05487	44.5
93.07050	100.0
95.04980	11.8
95.08616	10.1
96.37169	0.8
97.06522	2.5
97.10152	1.5
98.21474	1.7
101.06013	1.4
103.05508	1.0
105.04511	3.8
105.07038	25.7
107.04945	1.1
107.08609	10.7
109.06524	3.9
109.10155	2.0
111.08064	1.7
115.05440	1.1
117.07069	4.4
119.08586	16.3
121.06492	2.4
121.10153	2.0
123.08084	4.6
127.07570	2.6
129.07025	9.6
131.08574	2.3
133.10143	5.3
143.08559	4.2
145.10127	8.5
147.08052	2.9
147.11697	45.6
161.09610	4.6
161.13260	9.3
171.11702	23.2
183.58669	0.9
189.12761	13.8
207.06482	0.9
207.09842	1.0
207.13831	31.8
228.12338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03939	2.6
55.01883	5.8
55.05265	1.2
55.05512	14.7
56.96557	3.4
57.03442	5.6
57.07058	2.8
59.04988	1.4
61.02938	1.0
65.03931	2.8
67.05171	1.5
67.05504	17.4
68.00254	0.9
69.03429	29.6
69.07069	9.5
69.56797	0.8
69.71770	4.9
71.04995	3.4
73.02916	1.9
77.03924	1.1
79.05492	22.4
81.03429	4.8
81.07059	24.2
81.28998	0.8
83.04981	17.4
83.08611	1.6
85.02918	4.3
85.06533	2.8
87.04454	0.8
91.00205	0.9
91.05485	52.2
93.07048	20.4
95.04976	8.9
95.08608	18.3
97.02859	1.6
97.06525	4.3
98.97588	8.7
99.04462	1.9
103.05470	3.6
105.07034	64.4
107.04961	12.8
107.08602	25.8
109.06520	39.8
109.10149	6.0
110.97598	1.1
111.04447	2.4
111.08075	1.3
115.05441	2.5
116.98631	2.0
117.07024	10.4
118.07820	1.2
119.04965	8.4
119.08584	100.0
121.06513	7.0
121.10149	16.3
123.04472	6.1
123.08073	71.0
123.11651	5.0
125.06009	3.8
125.09634	2.2
127.03906	1.0
128.06218	9.3
129.07011	17.9
131.08582	5.8
133.06499	9.2
133.10135	38.9
135.08070	9.2
135.11681	6.1
137.05984	3.9
137.09612	7.9
137.13274	1.4
139.94322	0.9
141.06998	1.2
143.01889	1.2
143.08562	31.9
144.02126	1.1
145.06473	2.5
145.10138	8.8
146.06082	1.1
146.07230	1.4
147.04393	5.2
147.08051	74.2
147.11687	20.3
149.02376	1.1
149.05997	1.8
149.09627	12.7
151.07553	8.9
153.05457	1.4
156.09363	2.4
158.99597	4.6
159.08131	1.2
159.11748	3.0
161.02972	2.0
161.05977	3.0
161.09622	38.6
161.13257	18.3
162.05498	1.3
163.07561	1.6
163.11179	5.1
164.04683	2.0
165.05450	6.2
165.09117	13.4
165.12759	6.9
171.08076	2.0
171.11685	3.0
174.10420	1.6
175.03880	1.8
175.06279	1.3
177.00755	1.9
177.05020	1.0
177.12747	3.7
179.07066	3.1
179.10674	10.6
179.14275	1.6
186.05450	3.5
186.07057	1.1
189.09117	16.5
189.10880	1.2
189.11209	1.3
189.12733	12.9
191.47081	1.0
195.05922	5.6
196.06592	0.9
198.02618	0.9
206.56735	1.3
207.06720	9.3
207.10187	78.3
207.13788	76.3
208.06055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.03937	3.1
55.01860	5.0
55.05513	11.1
56.96560	2.9
57.03421	3.9
57.07053	1.6
65.03938	2.7
67.05506	10.8
69.03432	13.3
71.04991	2.0
71.26093	2.5
72.42101	1.1
77.03927	2.2
79.05488	13.0
81.03423	12.4
81.07047	7.5
83.04977	3.4
85.02902	2.0
91.05481	57.2
93.07057	9.2
95.04965	7.9
95.08607	3.9
97.06516	2.2
103.05478	4.6
105.07037	59.8
107.04947	12.2
107.08605	10.0
109.06512	5.5
109.10147	3.8
111.04449	3.0
114.99395	1.3
115.05415	4.0
117.07046	8.8
119.04940	14.2
119.08586	100.0
121.06531	5.1
121.10126	3.1
123.04424	17.2
123.08084	13.5
123.11701	1.9
125.05944	3.4
128.06224	11.5
129.07010	21.0
131.08527	4.5
133.06532	7.2
133.10135	45.0
135.08060	2.0
135.11650	2.2
137.06003	3.8
137.09612	10.3
143.08566	40.6
145.06485	2.5
145.10139	3.6
146.07248	1.6
147.04393	9.0
147.08052	94.8
147.11679	4.0
149.09668	2.3
151.07544	2.6
158.99623	1.3
159.99292	1.4
161.06015	7.0
161.09622	52.5
161.13216	3.9
163.11098	2.0
165.05461	8.0
165.09152	14.6
171.08075	3.8
175.03929	4.9
177.05450	1.9
179.07048	3.7
179.10646	15.4
183.53207	3.3
189.05435	1.8
189.09108	16.7
189.12830	2.2
197.01195	1.5
207.06532	6.6
207.10176	99.4
207.13783	9.8
226.18840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01884	6.9
55.05504	8.4
56.96557	2.6
57.03428	4.3
60.30816	1.1
63.02359	1.4
64.50328	1.1
65.03919	2.8
67.05513	9.3
68.51691	1.2
69.03148	1.3
69.03436	13.0
69.07081	1.6
70.78714	3.6
71.04994	1.9
77.03907	1.3
79.05505	14.6
81.03414	12.4
81.07046	5.4
83.04973	4.3
85.02892	1.8
91.05486	62.6
93.07036	13.0
95.04972	8.6
95.08620	3.7
95.11224	1.3
97.06521	2.6
98.97550	1.3
99.08089	1.3
103.05454	4.1
105.03413	1.5
105.04492	1.4
105.07038	60.0
107.04959	12.0
107.08605	7.5
109.06509	4.7
109.10146	3.7
111.04414	3.1
115.05441	4.0
117.07038	9.3
119.04947	14.8
119.08591	100.0
120.08785	1.8
121.02893	1.4
121.06508	5.6
121.10091	2.7
123.04434	17.7
123.08075	11.6
123.11647	1.3
125.05986	2.4
128.06235	12.2
129.07014	24.2
130.07780	1.7
131.08572	5.6
132.05745	2.1
133.06500	6.5
133.10138	50.1
137.05984	3.9
137.09607	8.2
143.04922	1.4
143.08565	41.3
145.06558	1.3
145.10143	6.2
146.07263	2.1
147.04439	7.1
147.08057	98.1
149.09621	2.7
151.03905	2.1
151.07562	3.4
153.05533	1.9
161.05984	5.4
161.09625	46.9
163.11148	2.7
165.05489	9.1
165.09126	16.5
165.12964	1.2
171.08028	4.4
171.11760	1.3
174.52696	2.0
175.03941	1.8
179.00200	1.4
179.07088	2.4
179.10703	10.9
183.53262	2.0
189.09116	20.7
189.12750	3.8
192.04266	2.3
207.06554	6.7
207.10179	99.4
207.13782	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	207.1018
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
53.03934	3.3
55.01884	6.9
55.05504	8.4
56.96557	2.6
57.03428	4.3
60.30816	1.1
63.02359	1.4
64.50328	1.1
65.03919	2.8
67.05513	9.3
68.51691	1.2
69.03148	1.3
69.03436	13.0
69.07081	1.6
70.78714	3.6
71.04994	1.9
77.03907	1.3
79.05505	14.6
81.03414	12.4
81.07046	5.4
83.04973	4.3
85.02892	1.8
91.05486	62.6
93.07036	13.0
95.04972	8.6
95.08620	3.7
95.11224	1.3
97.06521	2.6
98.97550	1.3
99.08089	1.3
103.05454	4.1
105.03413	1.5
105.04492	1.4
105.07038	60.0
107.04959	12.0
107.08605	7.5
109.06509	4.7
109.10146	3.7
111.04414	3.1
115.05441	4.0
117.07038	9.3
119.04947	14.8
119.08591	100.0
120.08785	1.8
121.02893	1.4
121.06508	5.6
121.10091	2.7
123.04434	17.7
123.08075	11.6
123.11647	1.3
125.05986	2.4
128.06235	12.2
129.07014	24.2
130.07780	1.7
131.08572	5.6
132.05745	2.1
133.06500	6.5
133.10138	50.1
137.05984	3.9
137.09607	8.2
143.04922	1.4
143.08565	41.3
145.06558	1.3
145.10143	6.2
146.07263	2.1
147.04439	7.1
147.08057	98.1
149.09621	2.7
151.03905	2.1
151.07562	3.4
153.05533	1.9
161.05984	5.4
161.09625	46.9
163.11148	2.7
165.05489	9.1
165.09126	16.5
165.12964	1.2
171.08028	4.4
171.11760	1.3
174.52696	2.0
175.03941	1.8
179.00200	1.4
179.07088	2.4
179.10703	10.9
183.53262	2.0
189.09116	20.7
189.12750	3.8
192.04266	2.3
207.06554	6.7
207.10179	99.4
207.13782	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	207.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01880	9.9
55.05490	4.7
56.96569	85.3
57.03439	23.6
57.07066	2.6
59.04989	3.9
60.04546	1.9
60.95845	3.3
61.02933	21.2
65.92625	12.1
67.05484	5.0
69.03435	22.9
69.07078	2.6
69.68488	9.8
70.98120	9.3
71.01343	8.1
71.05005	10.6
71.95262	5.9
72.96044	2.4
73.02921	31.6
74.06051	2.3
74.77610	1.5
74.97607	3.9
75.01050	2.1
79.05480	4.5
80.94965	42.1
81.03435	10.9
81.07040	3.7
82.01426	2.2
83.01328	3.9
83.04978	5.8
83.24964	1.6
83.93655	3.9
84.08131	3.0
84.96031	6.0
85.02908	32.4
85.75231	1.5
86.09708	3.4
86.99357	1.9
87.00826	2.3
87.04465	9.8
88.01799	2.5
88.99167	5.0
89.02391	2.6
91.03922	1.7
91.05472	7.7
93.07035	2.6
95.01308	10.6
95.04971	4.3
95.08597	8.3
95.30774	1.6
96.01514	2.0
97.01373	2.3
97.02319	9.7
97.02889	27.2
97.06568	1.8
98.03203	1.8
98.97591	100.0
99.00808	4.6
99.04454	4.9
100.02505	4.3
100.99163	3.8
101.00871	8.1
101.02380	23.6
102.96878	5.7
103.00598	2.6
103.03936	2.1
104.01308	1.7
104.90807	2.0
105.00335	2.1
105.03387	7.5
105.04479	2.3
105.07018	5.1
106.01055	3.1
106.02837	14.0
106.96558	3.9
107.04963	8.6
107.08586	4.3
109.02915	9.8
109.06485	2.9
110.01266	4.8
110.07171	2.9
110.97581	25.0
111.00804	4.7
111.04449	4.2
112.99153	16.2
113.00858	2.3
115.00636	3.2
115.02403	5.1
115.03268	4.2
115.03997	18.1
115.53492	1.7
116.98625	44.8
117.02027	2.9
117.04010	4.0
118.01030	2.8
118.03537	2.2
119.01865	17.5
119.04928	3.5
119.08575	3.4
120.02051	2.4
120.97969	3.5
121.01669	4.4
121.97578	46.7
123.02068	2.5
123.08078	4.2
123.51831	6.3
124.07590	5.6
124.93909	14.3
124.95474	3.6
124.97581	2.0
124.99101	5.2
125.00880	2.1
126.97099	2.7
127.03938	13.9
128.02292	8.5
128.04153	2.2
128.97804	2.5
128.98616	21.8
129.01866	6.1
130.06493	2.7
131.00186	13.5
131.01836	4.7
131.03430	5.1
132.00668	1.9
132.02557	4.8
133.01645	7.4
133.03432	10.0
133.10083	2.7
134.99644	11.2
135.03099	2.1
135.04324	2.0
137.04486	2.4
137.05977	7.1
137.09618	2.4
138.02545	3.1
140.02272	5.0
141.03098	2.8
141.05461	3.7
142.03453	2.1
142.94936	23.8
142.96533	6.7
143.00162	19.7
143.01886	15.4
143.03419	10.3
144.02498	2.5
144.98053	2.9
145.01700	2.6
145.05005	2.6
146.02284	7.3
146.91815	13.6
146.99698	13.0
147.03036	13.9
147.04233	3.4
147.08067	4.8
147.11703	3.3
148.02005	2.3
148.03839	4.4
149.01216	6.2
149.02879	3.0
149.05972	4.1
150.52431	2.4
151.03978	2.4
152.02351	3.3
153.03099	2.6
155.00171	3.8
155.02811	7.7
156.03453	7.6
157.01346	17.5
157.03337	2.1
157.52837	2.9
158.99649	12.6
159.03189	1.9
159.05066	2.5
160.96001	24.2
160.97566	6.2
161.01216	20.4
161.02945	43.5
161.04579	6.1
162.03581	2.9
162.99124	2.9
164.03262	2.7
164.92929	4.0
165.00691	6.7
165.03062	4.5
165.96544	62.6
166.03629	3.8
168.03603	2.5
169.04921	6.5
170.03355	7.1
170.05264	2.7
170.99657	5.7
173.01292	3.5
173.02898	2.5
174.53410	3.8
174.99081	4.1
175.02766	4.6
175.04408	19.6
176.03380	2.9
177.00688	11.9
177.04150	2.6
179.02267	5.0
179.04033	5.2
181.54295	2.0
182.03333	2.3
182.99629	2.4
183.97614	60.1
184.00139	4.1
184.02890	3.5
184.04605	33.8
185.02924	9.3
186.03545	2.4
186.05383	2.5
186.53377	4.7
187.02855	3.5
189.00726	9.3
189.04150	6.6
189.12656	3.0
191.03790	2.6
193.00208	3.4
193.03862	5.0
195.04092	3.9
195.05948	4.2
195.53920	12.3
195.55632	3.7
201.00700	7.6
202.01064	5.9
203.04024	4.1
204.04535	3.5
205.03827	3.1
207.00047	2.0
207.01787	10.7
207.05103	8.8
207.13377	2.5
207.14931	9.2
207.16806	2.7
208.04639	3.6
210.00717	3.6
211.04765	4.1
216.04666	3.3
217.00031	2.1
219.01778	5.5
224.00066	2.0
225.02682	2.6
228.01762	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	207.05
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
51.97835	1.9
53.03936	4.5
55.01634	2.2
55.01876	36.2
55.05500	4.6
56.96339	1.9
56.96570	23.6
57.03440	57.5
57.07046	2.6
59.04994	7.6
61.02933	38.8
67.05499	6.4
69.03086	2.5
69.03432	33.8
70.06596	3.6
70.29244	6.2
70.29594	2.6
70.98112	3.3
71.01357	30.6
71.04995	15.9
71.95235	2.8
73.02923	45.1
74.06084	1.9
74.97582	1.5
75.04490	3.4
75.48164	1.8
79.05491	4.3
80.00215	1.6
81.03406	7.2
81.07047	3.0
83.00777	5.3
83.01332	18.6
83.04969	7.0
84.96017	2.5
84.99259	2.0
85.02431	2.9
85.02910	38.6
85.06555	3.2
87.00813	7.6
87.03999	2.6
87.04482	34.7
88.99144	2.4
89.02396	13.5
90.01527	2.9
91.03946	2.8
91.05472	10.5
92.02360	1.8
93.07048	5.1
95.01331	17.5
95.08599	5.8
97.02899	9.3
98.01306	2.9
98.97593	25.9
99.00820	9.6
99.04451	8.1
100.02512	2.7
101.00854	6.2
101.02386	96.0
103.03935	11.6
103.05474	2.9
104.01259	5.3
104.10822	2.5
105.03413	1.8
105.07036	11.3
107.04922	1.9
107.08583	6.4
108.82470	1.9
109.02872	3.9
109.06540	4.7
109.10163	3.0
110.01283	4.7
110.97575	10.1
111.00812	9.5
111.02914	1.8
111.04468	2.4
112.99100	2.1
113.01775	7.7
113.02476	10.4
114.02579	2.5
114.07481	2.5
115.03937	100.0
116.98623	11.1
117.00185	1.7
117.01996	3.0
117.02885	2.2
117.03976	2.4
118.03534	2.9
119.01866	16.9
119.03421	3.5
119.04960	3.2
119.08553	11.7
121.01653	5.5
121.10139	3.8
122.01202	1.8
122.02331	4.4
123.02112	2.3
123.04447	1.7
123.08067	6.4
124.01065	2.1
124.95513	2.3
124.99080	2.3
125.01758	2.8
127.03940	17.5
128.02307	3.2
128.98630	9.2
129.01857	47.3
129.02992	2.7
129.03955	3.6
129.05484	3.3
129.06940	1.9
131.00215	2.0
131.01852	5.8
131.03404	8.1
133.03442	4.7
133.04955	8.0
133.10120	4.2
134.99695	3.6
135.08119	2.6
135.11761	2.1
137.02789	2.4
137.09618	4.2
138.03452	2.2
140.02290	6.5
141.01862	2.7
142.94957	2.0
142.96541	5.1
143.00153	5.1
143.01894	7.1
143.03416	35.6
145.01643	3.8
145.03441	3.2
146.02322	4.4
146.99651	8.3
147.01315	2.1
147.02881	15.4
147.03976	4.4
147.08066	5.7
147.11687	7.2
149.09604	4.4
150.21561	1.8
150.51656	1.9
151.07541	3.2
152.02370	2.4
155.02870	3.9
157.01346	74.7
158.99675	5.5
159.07861	3.0
160.07895	2.4
160.97559	5.3
161.01202	7.1
161.02928	20.4
161.04485	16.2
161.05809	3.2
161.09578	3.7
161.13309	3.0
165.00774	5.1
170.99635	6.0
173.02968	4.6
174.99162	2.4
175.02422	7.2
176.71950	2.1
177.00711	5.7
177.05508	2.4
179.02399	2.3
179.03999	3.8
179.05417	2.4
180.02650	2.2
182.03380	2.7
183.97617	2.3
184.04608	12.9
185.02931	4.0
189.00774	11.4
189.03920	12.2
189.05577	4.2
189.09221	3.2
189.12769	5.9
191.03841	5.0
193.00163	4.1
201.00662	3.7
207.01680	4.7
207.06577	11.6
207.10173	2.7
207.13806	14.7
219.01868	4.7
221.05147	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	206.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22924	0.7
56.96566	13.0
69.87389	4.0
70.94069	0.9
71.95251	0.9
82.01432	1.5
82.99846	2.9
83.01549	1.0
84.01223	1.1
84.96039	1.3
98.97585	15.4
100.02473	2.6
101.00883	35.1
101.02579	2.5
102.00990	2.9
102.02233	2.0
103.00629	6.8
103.02590	0.8
108.01660	0.9
110.97554	1.0
115.02477	1.2
116.98621	5.1
119.01927	61.1
120.02015	6.1
120.54398	0.8
121.01678	12.7
121.02457	1.3
124.02449	10.0
125.02508	1.0
127.00727	1.1
128.52983	1.1
131.17120	0.8
132.01884	1.1
133.03505	0.9
133.52122	1.0
134.02206	1.0
134.99649	2.6
136.00093	1.2
137.02965	10.3
137.50764	0.8
138.03084	1.3
139.01698	1.1
139.02727	2.3
139.98816	1.0
142.03506	100.0
143.01877	1.8
143.03674	5.9
144.03236	11.3
146.91879	4.6
149.98383	1.0
150.99091	1.7
159.01421	1.0
160.04555	25.4
160.99574	1.1
161.02991	5.6
161.04713	1.6
161.98384	1.1
162.01106	1.1
162.04337	2.4
164.92903	0.9
164.98625	2.9
165.05092	4.5
168.97511	1.1
170.98889	1.9
175.04605	0.9
177.00969	4.3
178.00984	1.1
179.00769	5.7
179.98471	2.2
179.99629	2.0
182.49152	1.8
182.98108	1.7
182.99727	12.6
183.01428	2.1
184.04584	3.1
188.00113	1.3
188.99181	7.6
189.49200	2.9
189.99039	1.2
191.49396	15.1
191.99501	5.9
192.49364	2.0
200.00217	1.1
200.49973	28.8
200.92119	0.8
201.00450	14.0
201.02527	4.1
201.49959	2.5
203.50360	1.0
205.99612	1.0
212.00850	0.9
212.50780	1.4
216.95331	1.2
219.01729	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.6
55.05507	7.9
56.05042	6.0
56.70334	2.6
56.96568	71.7
57.03441	41.9
57.07062	3.3
58.06599	4.0
59.04992	7.3
60.04520	7.6
60.95857	4.2
61.02929	100.0
61.67728	2.8
62.03251	5.9
66.01997	3.0
66.91644	2.4
67.05513	6.6
68.99799	3.1
69.03088	3.5
69.03434	49.6
69.47083	20.4
70.03791	2.8
70.06601	43.4
70.98128	7.3
71.04980	9.3
73.02924	37.4
74.00271	2.7
74.06070	2.6
76.07630	4.7
79.05457	2.8
80.05010	4.0
81.03416	7.6
82.01817	2.6
82.06533	2.4
83.00790	5.8
83.04979	15.2
84.04501	12.3
84.96041	6.8
85.02437	4.5
85.02911	57.9
85.05281	9.6
87.04492	3.4
88.99167	2.9
89.00779	10.0
90.01534	5.9
91.00500	7.7
92.04566	2.6
92.72595	2.7
95.01327	8.5
95.04952	5.2
96.01583	3.9
96.04520	3.4
96.08114	6.4
97.02893	22.9
98.01298	5.5
98.03220	5.4
98.20817	6.1
98.97592	73.5
99.04449	8.8
100.07597	7.0
101.00864	17.1
101.02399	7.8
101.06030	5.7
102.00979	7.0
103.00566	9.0
103.02316	6.7
104.01291	6.0
105.00236	3.1
107.04975	4.2
109.00526	3.3
109.02876	7.1
110.01292	21.3
110.06058	5.7
110.97549	16.2
111.00813	3.4
111.04448	3.6
112.01025	15.7
112.02831	8.4
112.99174	6.4
113.00882	6.9
113.02384	29.8
113.07148	30.6
114.00137	4.5
114.03792	7.8
114.05524	8.1
115.02365	6.3
115.03967	6.9
115.08698	3.4
116.01719	26.5
116.02458	4.7
116.07134	3.2
116.98634	25.7
117.02009	4.6
118.00998	9.1
118.02825	3.6
119.01879	48.5
120.01982	9.5
120.53550	6.8
121.01616	20.5
121.03364	10.9
121.04203	6.3
123.02032	3.1
124.07565	5.9
124.51993	3.8
125.01800	7.3
126.97090	2.8
127.01545	5.2
127.03996	15.0
128.02324	33.5
128.98587	16.0
129.05542	3.5
130.01926	7.0
131.00151	6.6
131.01845	15.5
132.00740	6.4
132.01932	6.6
132.04430	13.9
133.01636	10.9
133.03450	9.2
134.02309	3.9
134.03685	4.1
134.99681	7.1
135.54120	2.9
137.02846	18.0
139.01508	8.4
140.02286	3.9
141.01303	10.1
141.03064	6.7
142.03517	17.7
142.04929	5.1
142.08644	10.8
143.00195	7.9
143.01857	8.7
144.01065	3.7
144.02065	6.7
144.98068	6.4
145.01649	8.2
145.03358	5.8
146.00511	4.5
146.02237	6.3
146.03423	5.0
146.07014	3.1
146.08118	8.6
146.99603	14.3
147.01373	4.1
147.03096	4.4
148.02060	9.4
148.03864	6.0
149.01195	3.9
149.02817	3.2
150.01785	9.8
150.51965	5.1
151.03905	20.2
152.98677	3.3
153.03096	3.1
154.02013	4.2
154.52960	6.1
155.00035	3.1
155.02869	10.2
157.01445	5.0
157.02591	12.2
158.99622	13.3
159.07661	39.3
160.04277	47.2
160.05704	3.5
160.06075	2.6
160.09718	7.7
160.97601	2.8
161.01207	9.5
161.02884	14.8
162.03159	5.1
162.39339	2.9
162.99164	5.9
163.02716	10.0
163.53633	3.2
165.00664	3.2
167.01015	3.8
170.08203	5.7
170.99664	9.8
171.01321	4.2
173.01292	6.4
173.02940	7.6
174.01709	13.2
174.03139	4.2
174.11345	7.4
174.99097	4.3
175.02667	9.5
175.04488	6.0
176.01595	6.7
176.03482	6.2
177.00690	10.3
178.05017	73.7
179.02199	3.4
182.99690	9.5
183.02316	4.4
184.97746	2.8
185.03931	4.2
185.55319	10.7
186.03122	5.3
186.99240	5.7
187.00908	6.9
187.02806	5.3
188.00148	8.6
188.07541	4.2
188.09169	21.2
189.00711	10.9
194.03407	3.2
194.55812	7.4
197.02039	6.1
197.03773	4.0
201.00714	27.0
201.02490	8.9
203.03880	5.0
205.00267	10.3
205.03828	4.0
205.05577	3.7
206.01166	3.6
206.02647	3.4
206.04430	55.8
206.08421	5.0
206.10146	22.7
206.11842	5.5
206.13901	8.1
207.01759	5.0
208.99773	4.4
215.00447	5.4
216.00584	4.7
217.00197	4.8
219.01834	15.5
219.03612	3.9
221.05130	5.2
222.05241	6.0
223.01294	9.7
223.04872	7.3
223.06688	5.7
227.99474	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03948	1.4
54.77401	0.6
55.01878	0.7
55.05511	7.8
56.96572	1.3
57.07078	10.7
57.24329	0.7
60.04532	0.8
65.03943	3.8
67.05505	8.7
69.03429	2.0
69.06726	1.2
69.07070	15.9
69.23430	6.1
71.04987	0.7
76.99405	0.7
79.05497	9.1
81.03434	2.8
81.07059	45.9
83.08639	4.5
84.04499	0.8
85.02910	2.7
91.05485	5.3
93.03410	0.8
93.07049	38.4
95.05002	0.8
95.08611	30.6
97.02894	10.1
97.10177	5.4
98.20780	1.4
99.04466	1.9
99.51951	0.6
105.07034	3.5
107.08598	30.9
109.02898	7.8
109.10161	24.6
111.11731	1.5
117.07039	0.7
119.01935	0.9
119.08614	1.2
121.02875	7.4
121.04000	1.9
121.10149	100.0
123.11710	11.9
127.03909	2.9
127.05877	1.2
131.97470	0.8
133.10178	0.9
135.11691	21.9
145.02837	0.9
146.31319	0.6
147.11678	0.7
149.02347	72.2
149.13264	39.1
156.34138	0.6
160.07491	0.8
163.02780	1.1
163.14844	5.5
167.03513	0.8
190.05133	0.7
205.04984	4.1
205.06729	0.8
205.08614	1.4
205.12291	1.5
205.14182	1.7
205.19514	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03956	0.6
55.01871	0.6
55.05511	2.8
56.96573	0.6
57.07080	9.3
60.04511	0.4
60.40850	0.3
60.99754	0.3
64.69662	0.2
65.03939	4.6
67.05517	2.9
69.03426	1.2
69.06725	0.5
69.07073	5.4
69.33756	0.2
69.34071	2.3
71.04981	0.5
71.08647	0.4
73.02918	0.3
79.05491	3.8
81.03425	1.8
81.07059	13.7
83.04955	0.3
83.08627	3.5
84.04520	0.3
85.02910	1.3
86.47848	0.3
91.05484	2.0
93.03413	1.7
93.07047	15.1
95.04955	0.3
95.08614	8.7
97.02889	4.9
97.10175	1.7
98.03692	0.4
99.04466	1.0
101.92771	0.3
105.07039	1.2
107.05049	0.3
107.08598	10.7
109.02887	3.6
109.10164	7.2
109.78822	0.2
111.01871	0.3
111.04437	0.7
111.11740	0.8
116.05262	0.3
119.00178	0.3
119.08607	0.4
121.02877	11.8
121.03974	2.3
121.06506	0.5
121.10149	27.5
123.11704	5.3
127.03905	1.3
127.05862	0.6
128.52184	0.3
135.11702	7.1
137.13271	0.5
139.03915	0.3
141.04863	0.3
145.02887	0.5
145.10129	0.3
149.02347	100.0
149.13268	15.6
150.02701	0.8
152.05847	0.7
152.55711	0.8
159.11623	0.5
161.09612	0.3
163.02844	0.5
163.14799	1.4
167.03441	0.8
184.38698	0.2
190.04988	1.3
193.09831	0.5
193.59782	0.4
204.60562	0.4
205.05096	1.8
205.06841	0.4
205.08788	0.3
205.12186	0.7
205.14189	0.9
205.15997	0.5
205.19522	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.31776	0.6
53.03943	1.1
55.05508	6.8
56.96562	2.1
57.07076	1.9
60.04509	1.8
65.03939	0.6
66.92120	0.6
67.05179	1.0
67.05508	14.7
68.99798	1.2
69.03422	1.5
69.07071	12.7
69.31529	5.5
69.31936	1.1
77.03919	0.8
79.05129	0.8
79.05499	8.3
81.07059	30.2
83.04971	0.7
83.08613	3.4
91.04973	1.2
91.05487	12.6
93.07048	14.8
95.04959	1.4
95.08611	45.7
96.04480	0.8
97.02920	1.3
98.20723	1.3
98.97590	0.8
100.02487	1.4
105.01894	0.8
105.07037	50.9
107.04930	1.0
107.08601	22.7
109.06507	1.0
109.10157	34.1
115.05455	2.2
117.07052	4.2
119.01955	1.3
119.04898	0.9
119.08582	47.8
121.10143	16.4
123.11708	6.9
124.54230	0.7
126.05550	0.9
129.01889	0.8
129.07022	2.2
131.08537	2.9
133.04941	2.7
133.06525	1.2
133.09119	1.7
133.10133	34.9
134.10658	0.8
135.11688	4.1
142.07768	1.5
143.01947	1.8
143.04938	1.4
143.08551	2.1
145.06508	1.3
145.10141	7.3
145.11171	1.0
147.04436	1.5
147.07997	1.5
147.11693	54.3
157.05000	3.6
157.06351	0.7
157.10106	2.3
159.11745	3.4
160.05234	2.7
160.12474	3.1
161.02937	1.5
161.05930	0.7
161.09641	1.4
161.13266	19.0
161.14612	1.0
170.10962	1.0
175.07576	4.6
175.14824	5.9
185.09613	0.9
185.13295	1.8
197.99193	1.1
203.03537	1.3
203.05292	1.4
203.07025	7.4
203.08650	0.9
203.10632	4.0
203.14343	6.6
203.17966	100.0
204.08755	1.0
204.13857	1.4
204.18373	1.1
213.30807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.62423	0.7
51.93332	0.6
53.03931	1.2
55.05309	0.6
55.05511	7.1
57.07057	2.9
65.03913	0.7
67.05504	11.5
69.07072	11.6
69.86589	2.5
79.05491	7.2
81.07056	29.7
83.08634	3.7
90.96490	0.6
91.05482	11.7
93.07042	12.4
95.08608	37.1
95.26797	0.6
97.10160	1.3
103.05446	0.9
105.07033	65.2
107.08598	20.7
109.06451	0.8
109.10156	26.4
113.65752	0.7
117.06994	2.6
118.07758	0.8
119.08582	52.2
121.10136	12.9
123.11703	7.7
131.08559	4.2
133.10130	40.9
135.11694	3.0
145.10120	7.2
147.11688	55.9
148.12224	0.8
159.11696	2.7
160.12537	3.1
161.02922	1.1
161.09630	1.3
161.13263	22.2
175.14874	5.7
182.39209	0.7
203.06990	1.0
203.10686	1.4
203.14178	2.5
203.17961	100.0
203.21967	2.5
204.18254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03929	1.0
55.05510	8.1
57.07057	2.3
65.19853	0.7
67.05505	13.2
69.06693	1.0
69.07069	16.6
71.23515	1.2
79.05151	0.7
79.05494	8.3
81.07059	38.9
83.08609	4.2
84.20503	0.8
91.05482	16.5
93.07048	14.8
95.08607	46.8
95.20535	0.8
97.10178	1.5
103.05479	1.1
105.07034	83.7
107.08600	22.4
109.10163	33.3
109.10927	1.5
117.06990	4.2
117.95927	0.9
119.08583	79.5
121.10143	16.1
123.11701	9.6
131.08575	2.9
133.10136	41.4
135.11719	4.2
141.11353	1.0
145.10130	7.4
147.11691	69.3
157.10088	1.0
159.11687	3.4
160.12466	3.4
161.02934	1.2
161.13249	18.3
161.74463	0.8
175.14832	7.6
191.36752	0.8
203.07018	1.1
203.17958	100.0
204.18306	1.4
217.76466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.01896	1.2
55.05510	13.2
57.03426	1.2
57.07075	2.8
60.04505	2.4
60.63782	1.3
65.03915	1.6
67.05507	17.0
69.03423	2.4
69.07072	13.7
71.04975	2.3
71.54588	2.4
77.85746	1.3
79.05501	7.5
80.78691	1.2
81.03412	2.2
81.07062	31.9
83.04966	2.6
83.08618	10.0
85.06527	2.2
91.05481	17.0
93.07047	19.1
95.08614	58.7
97.02874	2.0
97.06450	1.5
97.10169	3.5
98.97581	1.9
99.04456	1.4
101.00876	4.1
105.07034	47.7
107.08598	41.2
109.10162	41.6
109.10790	0.8
109.10915	1.4
111.36722	1.2
115.05481	1.7
117.07001	3.5
119.01933	4.8
119.08586	56.6
121.09333	1.7
121.10145	21.3
123.11696	12.0
125.06036	1.3
128.06250	2.3
129.06985	3.1
131.08563	3.3
133.10135	51.9
135.11700	5.8
142.07813	2.1
143.01913	6.8
143.08522	3.5
145.10175	6.6
147.08028	2.0
147.11694	56.5
149.13219	2.0
157.10156	2.8
159.11722	4.1
160.05112	1.8
160.12497	3.0
161.02969	9.2
161.05835	1.8
161.09636	2.6
161.13269	26.7
162.04419	2.0
171.04881	2.1
174.14050	1.6
175.07568	3.8
175.11215	1.9
175.14851	10.2
175.83516	1.3
185.09595	2.0
185.13235	2.7
188.34656	1.2
203.05402	2.0
203.06934	8.2
203.10640	7.1
203.14355	6.0
203.17957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.98430	1.0
53.03935	1.4
55.05513	9.8
56.96558	4.1
57.03442	1.5
57.07071	4.0
60.04512	1.5
63.79177	1.0
67.05508	13.2
69.03397	0.9
69.07067	15.0
70.99366	0.9
71.08624	1.2
79.05499	8.3
79.93832	1.0
81.07063	32.2
83.08636	5.4
85.53431	0.8
91.05486	15.0
93.07047	17.7
95.04965	1.3
95.08611	39.5
96.27945	0.9
97.10179	1.7
103.05471	1.2
105.07036	69.3
106.07264	1.0
107.08606	21.8
109.10166	30.8
115.05455	1.0
117.07059	2.4
119.08585	54.1
121.10153	16.9
123.11739	6.8
126.05495	0.9
128.61641	0.9
129.07022	1.1
131.08577	3.3
133.07475	1.2
133.10139	44.2
135.11717	5.4
143.01933	1.4
143.08583	1.1
145.10150	8.1
147.11694	67.3
148.12468	1.1
157.10106	1.0
159.11713	2.6
160.12482	4.8
161.02904	1.4
161.13268	24.6
175.07497	1.8
175.11230	1.0
175.14847	7.3
179.24516	0.9
182.07872	1.4
188.15793	1.0
203.07066	5.2
203.10703	3.4
203.14281	3.4
203.17970	100.0
203.22011	3.5
204.13857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	cis-1-(1,2-Dimethyl-3-methylenecyclopentyl)-4-methyl-1,3-cyclohexadiene
Peak:m/z	Relative Intensity
55.05502	3.9
56.96557	1.6
57.07067	2.7
60.04512	2.6
60.53072	1.0
67.05501	12.8
69.07069	6.0
71.54953	1.7
77.00933	1.2
79.05511	5.8
81.07061	20.5
82.01434	1.3
83.08597	2.1
84.04507	2.7
91.05484	12.0
93.07049	16.8
95.08612	48.0
96.04444	1.2
100.02486	3.6
105.07035	33.6
107.08608	27.0
109.06473	1.2
109.10158	31.3
114.05509	1.1
117.07035	1.5
118.03535	3.1
119.08586	26.4
121.10150	15.6
123.11723	6.2
126.05540	3.2
129.06984	1.0
131.08534	1.3
133.10139	18.3
133.53883	1.0
135.11681	2.4
145.10080	2.5
146.59164	1.0
147.11688	35.0
161.13275	16.7
168.08037	1.1
175.14861	7.9
185.09567	1.4
197.99182	3.9
202.93727	1.1
203.07060	2.0
203.10672	3.3
203.14348	3.4
203.17970	100.0
204.08806	2.1
204.13763	1.1
218.00839	1.0
224.24690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01870	6.8
55.05265	1.7
55.05516	21.0
56.05031	1.8
56.96572	18.7
57.03232	1.0
57.03445	10.8
58.99586	1.2
59.05010	6.1
60.04528	13.5
61.02919	4.3
67.05499	3.5
68.05051	1.6
68.99789	1.5
69.03429	10.0
69.07065	4.4
70.06586	2.3
70.38675	3.8
70.98129	1.1
71.04985	9.6
72.08157	2.6
73.02911	5.9
73.06551	1.9
79.05499	3.4
81.03415	8.0
81.07070	6.2
83.00785	1.4
83.04980	3.9
83.08621	12.3
84.04507	4.1
84.08138	3.7
84.08951	1.4
84.96054	1.8
85.02908	13.2
86.06078	3.6
86.09711	100.0
87.00837	10.5
87.04469	4.4
89.06013	3.0
91.05484	4.7
93.07056	3.7
95.04980	2.8
95.08604	2.6
96.04520	1.5
97.02898	12.2
97.06532	3.8
98.06064	1.5
98.96935	2.2
98.97588	43.1
99.02619	1.1
99.04463	20.3
99.97912	1.7
100.02287	2.2
100.07626	2.5
101.00855	5.7
102.05616	1.1
102.36763	1.0
102.96889	2.8
103.05513	1.4
105.01952	1.4
105.07025	4.7
107.04955	4.5
107.08601	2.4
109.02892	3.8
109.06530	3.4
110.59826	1.3
111.04459	2.9
112.11248	2.8
112.99155	1.9
113.00828	1.8
114.05541	3.3
115.03972	2.3
115.05470	1.5
115.79574	1.2
116.98630	18.5
117.05516	4.6
117.07085	1.9
118.96740	1.5
119.01907	17.1
119.04913	1.2
119.08604	3.1
120.02061	3.3
120.96537	3.9
120.97928	2.8
121.02892	1.9
121.06577	2.1
121.10142	2.0
125.05963	1.7
125.09621	1.5
126.05504	2.5
127.03930	4.6
128.02324	9.9
128.06215	2.6
128.98592	2.6
129.07007	3.1
129.13881	2.1
130.06540	8.6
131.00183	1.5
131.01846	1.3
131.04913	1.3
131.08627	1.1
132.10208	83.1
133.06503	2.3
133.10120	2.8
134.99701	5.5
137.02913	5.4
138.03136	1.1
138.98918	1.6
139.07567	1.5
141.05544	1.2
141.97110	1.4
143.00131	2.0
143.01874	6.1
143.03465	4.5
146.99747	1.6
147.03194	2.4
147.04395	3.0
147.05670	1.3
147.08035	2.9
149.01213	1.9
155.01811	2.6
155.04645	3.6
155.54800	1.9
157.03488	2.7
157.04924	1.2
157.06479	2.8
157.07675	2.1
157.10089	1.3
157.13394	11.7
158.06020	4.5
158.08107	1.7
158.11772	3.6
158.99666	20.4
159.12065	2.8
160.05717	9.4
160.55913	3.5
161.02992	10.1
161.04507	2.3
161.09656	1.5
162.03139	1.8
167.07030	1.5
168.06573	1.5
169.06244	5.5
171.02859	4.7
171.04205	1.8
173.01155	1.3
173.03070	1.6
173.04730	4.9
175.05927	3.1
175.07565	5.8
177.00703	15.9
179.04024	2.7
179.97871	4.6
180.04179	2.5
182.05237	12.7
182.55424	1.6
185.06136	2.4
185.09822	2.0
185.13043	2.1
188.08311	1.5
191.05707	9.3
191.55795	1.2
193.54247	3.7
194.06767	1.3
197.99210	2.1
201.04379	1.4
202.54710	4.3
202.56436	1.3
203.03499	4.5
203.05312	18.7
203.07098	9.7
203.08508	3.1
203.10527	6.2
203.13956	8.7
203.18001	2.7
204.08754	3.9
204.13910	1.7
214.39589	1.4
219.01706	2.1
221.05127	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0704
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
51.68911	0.2
53.03931	0.2
55.05495	0.3
59.48607	0.1
67.02914	0.2
67.05500	0.2
68.99777	0.3
69.03467	0.2
69.07053	0.2
69.52299	1.1
73.66525	0.1
76.17738	0.2
81.07051	0.4
85.02916	0.8
89.72901	0.2
91.05481	1.1
93.07008	0.3
95.08617	0.2
98.20780	0.3
98.97591	0.4
99.04482	0.2
101.00897	0.3
102.84486	0.2
105.03379	0.9
105.07075	1.0
107.04958	0.9
107.97413	0.1
109.10165	0.3
115.05515	0.2
117.06998	0.3
119.01939	0.5
119.04975	1.0
119.08585	1.2
121.02882	0.8
121.06505	0.2
121.10144	0.3
128.06226	0.4
129.07010	0.4
132.05650	0.2
133.06496	0.5
133.10126	0.4
143.01923	0.4
143.04933	0.4
143.08565	0.2
145.02774	0.2
145.10080	0.2
147.08073	0.5
147.11682	0.5
157.06476	0.5
159.11646	0.2
160.05194	0.3
161.02960	0.6
161.05928	0.2
161.09610	0.2
161.13290	0.2
170.11002	0.2
175.07558	0.6
175.14827	0.2
180.05386	0.2
185.06105	0.2
185.09587	0.2
185.13371	0.2
188.08456	0.2
202.07750	0.2
203.07039	100.0
203.17880	0.9
204.07384	0.7
219.40671	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.19845	0.8
53.03942	1.9
55.05503	3.6
56.96560	1.4
57.07072	4.5
62.06062	1.0
67.05511	7.6
69.07082	5.4
69.43497	7.1
71.08620	2.2
79.05486	7.5
79.58102	0.8
81.03413	1.0
81.07059	18.0
82.65440	0.9
83.08617	1.4
91.05478	11.8
93.07056	21.5
95.04954	1.8
95.08612	20.4
97.02914	1.2
98.97581	2.3
105.03407	10.4
105.07037	28.3
107.08601	23.1
109.06521	1.2
109.10174	7.2
115.05427	1.6
116.98653	1.3
117.07029	11.3
119.08596	21.8
121.10165	9.2
127.03940	5.9
129.07007	3.0
130.07785	6.5
131.08580	34.6
133.10124	8.0
137.05960	2.7
141.05449	1.0
143.08562	5.5
144.09329	5.2
145.10135	96.5
146.10938	4.8
147.11760	1.4
155.08501	1.2
157.10133	4.0
158.10927	2.1
159.08087	1.9
159.11705	52.5
165.05490	1.7
171.11650	2.6
173.09743	1.3
173.13280	23.7
174.13475	1.0
183.06570	2.1
184.20612	1.4
186.10364	1.4
186.13936	1.2
201.05467	2.2
201.09132	4.5
201.12660	3.0
201.16400	100.0
202.16702	1.4
202.21698	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.8
69.61069	1.5
69.61502	1.4
71.69543	0.4
76.99686	0.4
82.01466	1.2
82.99820	2.4
83.99924	0.8
98.20720	0.5
98.40173	0.5
98.97588	1.3
100.02503	1.5
101.00887	38.9
101.97208	1.6
102.00954	13.5
102.96873	3.1
103.00641	1.2
115.02463	0.6
118.03545	0.6
119.01929	100.0
119.98302	0.9
120.02013	32.1
120.97891	1.3
121.01654	2.7
121.02435	0.7
125.02593	1.8
131.01941	1.3
136.16260	0.4
137.02968	23.8
137.83363	0.5
137.99243	0.6
138.03056	6.5
138.98994	0.6
139.02534	0.9
142.03508	4.8
143.01955	2.5
143.03630	15.9
144.00696	0.5
144.01967	0.6
144.03241	0.9
157.03500	2.9
160.04555	1.0
161.02979	24.0
161.04680	4.1
162.03084	12.8
162.04442	1.0
163.02762	0.9
166.05324	0.5
173.02977	0.9
175.04422	0.7
179.04024	29.3
179.97972	0.8
180.04123	18.6
181.03716	1.3
185.04733	0.6
191.04083	0.8
193.03560	0.5
197.99188	1.0
202.05736	0.5
203.04008	1.4
203.05698	1.4
220.03337	0.5
221.01758	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	200.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85213	0.4
53.03934	0.5
55.01863	1.3
56.96567	9.0
57.03437	4.8
61.02933	2.8
66.17495	0.4
69.03442	3.7
70.11093	1.0
70.11490	0.7
70.99837	0.6
71.04976	0.5
71.95261	1.5
73.02927	6.8
74.03259	0.4
81.03436	2.0
82.01443	0.5
82.06556	0.8
84.04534	0.5
84.96014	0.9
85.02905	6.6
86.03687	0.9
87.01045	0.4
87.04473	0.6
89.00819	0.5
91.03973	0.7
92.01308	0.4
95.00764	0.7
97.02893	4.4
97.96820	0.5
98.01283	0.6
98.97590	100.0
99.04452	1.2
100.02494	0.7
101.00838	2.1
102.01591	0.6
102.02276	0.5
104.01302	1.4
108.01534	0.9
109.02892	1.2
110.01289	3.6
110.97588	5.2
112.99139	0.7
113.00851	0.5
116.01278	1.0
116.98627	41.9
117.02036	0.7
118.01039	0.8
119.01831	6.1
122.01302	0.6
124.99142	0.9
125.01802	1.3
127.03930	1.7
128.01425	0.5
128.02295	2.3
128.98613	3.3
129.01965	0.5
130.02818	0.5
131.00177	1.0
131.01859	2.0
133.01631	0.6
133.03485	0.8
134.99669	12.3
137.01784	1.3
137.02872	1.1
140.00209	2.1
140.02362	1.1
140.98634	0.7
141.36028	0.4
143.00171	1.5
143.01840	1.4
144.99796	0.8
145.04933	0.6
146.02318	4.1
146.99622	1.0
148.01933	0.4
149.02910	0.9
152.02322	1.5
153.00722	1.1
155.02859	5.4
156.03670	0.7
158.01244	1.5
158.99680	5.1
161.01443	0.7
161.02875	3.4
164.03404	1.4
168.01480	1.3
170.03371	3.4
170.99675	2.4
173.02928	0.9
175.02847	0.6
177.00746	4.5
177.02478	2.2
182.03371	1.4
182.99712	1.2
189.00687	2.7
191.03943	4.9
195.01765	1.7
200.04382	5.6
200.10854	0.4
200.12834	0.8
200.54567	0.6
201.00755	1.8
219.01733	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28408	0.3
54.98648	0.4
56.96565	5.0
57.65322	0.2
65.03195	0.2
69.42717	0.3
69.99960	1.0
71.95268	1.1
76.21930	0.3
79.04574	0.3
79.90382	0.2
86.66975	0.2
91.99854	0.2
98.97587	100.0
99.97913	0.3
114.09901	0.3
116.98624	39.7
134.99663	9.8
140.00201	2.3
153.00711	0.5
158.01251	2.1
158.99652	0.7
176.02374	0.4
177.00717	3.9
195.01778	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35192	0.3
53.53191	0.3
55.90831	0.3
56.96567	5.5
57.03460	0.4
69.03416	0.4
70.49039	1.1
71.95271	1.0
78.35394	0.3
85.02900	0.7
98.97586	100.0
110.97556	0.7
116.98624	43.4
119.01926	0.5
126.32790	0.3
128.98550	0.4
131.01900	0.3
134.99649	10.7
135.00665	0.5
140.00186	2.6
140.98488	0.2
142.03799	0.3
153.00714	0.9
158.01273	1.9
158.99648	1.0
161.02812	0.5
166.31523	0.3
168.03656	0.4
170.99632	0.6
177.00734	3.9
182.03105	0.5
189.00648	0.3
195.01762	1.7
200.04123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85213	0.4
53.03934	0.5
55.01863	1.3
56.96567	9.0
57.03437	4.8
61.02933	2.8
66.17495	0.4
69.03442	3.7
70.11093	1.0
70.11490	0.7
70.99837	0.6
71.04976	0.5
71.95261	1.5
73.02927	6.8
74.03259	0.4
81.03436	2.0
82.01443	0.5
82.06556	0.8
84.04534	0.5
84.96014	0.9
85.02905	6.6
86.03687	0.9
87.01045	0.4
87.04473	0.6
89.00819	0.5
91.03973	0.7
92.01308	0.4
95.00764	0.7
97.02893	4.4
97.96820	0.5
98.01283	0.6
98.97590	100.0
99.04452	1.2
100.02494	0.7
101.00838	2.1
102.01591	0.6
102.02276	0.5
104.01302	1.4
108.01534	0.9
109.02892	1.2
110.01289	3.6
110.97588	5.2
112.99139	0.7
113.00851	0.5
116.01278	1.0
116.98627	41.9
117.02036	0.7
118.01039	0.8
119.01831	6.1
122.01302	0.6
124.99142	0.9
125.01802	1.3
127.03930	1.7
128.01425	0.5
128.02295	2.3
128.98613	3.3
129.01965	0.5
130.02818	0.5
131.00177	1.0
131.01859	2.0
133.01631	0.6
133.03485	0.8
134.99669	12.3
137.01784	1.3
137.02872	1.1
140.00209	2.1
140.02362	1.1
140.98634	0.7
141.36028	0.4
143.00171	1.5
143.01840	1.4
144.99796	0.8
145.04933	0.6
146.02318	4.1
146.99622	1.0
148.01933	0.4
149.02910	0.9
152.02322	1.5
153.00722	1.1
155.02859	5.4
156.03670	0.7
158.01244	1.5
158.99680	5.1
161.01443	0.7
161.02875	3.4
164.03404	1.4
168.01480	1.3
170.03371	3.4
170.99675	2.4
173.02928	0.9
175.02847	0.6
177.00746	4.5
177.02478	2.2
182.03371	1.4
182.99712	1.2
189.00687	2.7
191.03943	4.9
195.01765	1.7
200.04382	5.6
200.10854	0.4
200.12834	0.8
200.54567	0.6
201.00755	1.8
219.01733	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	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64542	1.1
53.03934	1.9
55.01870	3.2
55.05510	8.2
56.96553	1.2
57.03445	9.5
57.07085	1.7
59.05000	1.4
61.02917	2.3
67.05502	7.3
69.03433	4.5
69.07064	7.6
69.67757	6.1
71.04996	25.2
74.09730	6.4
79.05497	15.4
81.07059	27.3
83.04989	2.7
83.08622	1.1
85.06539	3.1
91.05476	7.2
93.07046	48.9
95.04971	6.3
95.08597	3.9
95.81113	0.9
97.06513	5.7
98.20721	1.5
98.97600	6.4
100.07613	2.7
101.06004	1.3
105.07043	10.3
107.04943	1.1
107.08601	14.1
109.06523	20.4
109.10169	3.0
111.04451	3.0
111.08064	4.9
115.07581	1.0
116.97230	1.5
116.98645	2.4
117.07021	4.1
119.08585	16.1
120.21377	0.9
121.06528	5.1
121.10150	69.8
123.08070	14.8
123.11677	1.0
125.05983	1.1
127.07572	8.6
128.06233	1.4
130.07797	3.3
133.10118	1.0
135.08072	2.9
135.11708	11.7
137.09618	4.1
139.07530	9.6
139.11191	12.8
140.04663	4.5
142.07822	1.3
143.08618	2.3
145.10127	37.1
146.13635	0.9
153.09149	0.9
153.12781	1.3
156.09308	0.9
157.10211	1.2
163.11188	100.0
175.98537	1.6
181.12239	98.9
182.08188	2.1
199.07585	1.8
199.11398	1.8
199.13295	11.2
199.14838	1.1
199.18909	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01864	2.6
55.05505	5.4
56.96561	1.0
57.03445	7.6
57.07058	1.3
59.04996	1.3
59.95271	0.7
64.36727	0.7
67.05505	4.4
69.03416	2.4
69.07083	4.2
69.75386	2.0
69.75801	2.0
71.04999	25.7
72.08150	0.7
74.04310	0.8
74.09715	4.4
79.05068	1.3
79.05499	16.5
81.06589	1.1
81.07062	22.8
83.04958	1.2
83.08604	1.3
84.08957	0.9
85.02902	1.1
85.06557	4.5
85.16469	0.8
91.05493	9.0
91.78061	0.8
93.07049	51.8
95.04992	4.7
95.08617	3.7
97.06535	4.2
98.97601	5.3
99.04426	1.0
100.07636	1.0
105.04469	0.9
105.07034	10.6
107.04960	1.1
107.08601	12.6
108.08903	0.7
109.05804	1.0
109.06532	19.0
109.10188	1.3
109.37602	0.8
111.04447	2.1
111.08077	3.6
111.11754	1.1
113.05930	0.8
116.97192	1.7
116.98613	2.2
117.07015	4.8
119.01877	1.2
119.07810	1.4
119.08593	18.5
121.06524	4.5
121.10154	64.5
123.07202	1.1
123.08078	15.1
125.06017	1.4
127.07563	4.6
128.06181	0.8
129.06921	0.9
130.07773	3.0
131.99500	0.9
133.06476	0.7
135.08086	5.0
135.11714	10.0
139.03879	1.0
139.07556	9.5
139.11214	1.6
140.04655	1.7
141.25845	0.8
141.47371	0.7
143.01897	1.6
143.08551	2.1
145.10130	32.4
154.06209	0.8
155.07030	1.1
161.02980	1.7
163.11194	93.9
164.11456	0.8
171.11722	1.1
175.98483	1.7
181.12247	100.0
182.08064	1.3
184.07295	2.6
199.05920	0.9
199.11537	1.4
199.13280	8.0
199.14928	1.7
199.18942	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	197.1538
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03928	2.6
55.01873	4.4
55.05515	16.7
57.03423	2.1
57.07083	10.3
62.54771	1.3
67.05183	2.2
67.05509	28.9
69.03442	1.5
69.06732	1.8
69.07071	24.4
69.60165	3.2
69.60584	5.2
70.95860	5.2
71.04976	5.3
71.08610	2.5
72.93788	1.9
79.05070	2.2
79.05492	24.7
81.03397	1.9
81.07060	47.7
83.04988	35.1
83.08625	3.6
85.06548	13.6
85.82304	1.2
91.05484	19.4
93.06477	2.4
93.07045	34.8
95.04940	4.5
95.08614	38.2
97.05927	2.9
97.06534	51.4
99.04453	2.5
101.06022	2.6
105.07043	27.8
107.08595	20.0
109.06530	13.4
109.10154	11.0
111.08130	6.4
111.98473	7.9
117.07050	2.6
119.08585	28.4
121.10134	8.2
123.08058	9.3
123.11681	2.2
127.07597	3.7
129.99530	2.4
132.95850	16.8
133.10127	18.5
135.11705	47.1
137.09608	4.3
137.13252	2.2
139.11145	2.8
149.13266	2.3
150.96895	10.1
151.03825	1.5
151.07542	1.9
151.11185	3.9
153.12750	100.0
155.08540	2.4
155.97455	8.6
161.13258	31.8
167.08437	1.6
167.14243	2.0
169.10150	1.5
173.98511	12.2
179.10686	5.7
179.14314	18.4
197.09428	3.2
197.11655	3.4
197.13324	4.5
197.15378	24.3
198.18591	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	199.0966
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
51.02369	0.5
51.21513	0.4
53.03946	2.6
55.01877	3.4
55.05497	1.1
56.96563	0.7
59.20436	0.4
60.18662	0.4
67.05508	3.2
67.61108	0.4
69.03429	0.6
69.07067	1.2
69.57986	0.5
70.73067	1.0
74.09721	1.1
77.03922	1.1
79.05493	16.9
81.03414	1.1
81.07061	4.8
83.04976	0.8
91.05483	14.4
93.07046	31.7
95.04958	4.5
95.08602	1.4
97.06532	2.1
98.97591	3.9
100.76369	0.5
103.05460	2.0
105.03374	0.8
105.04514	1.3
107.04948	2.2
109.06523	1.4
111.04449	1.4
111.08086	1.9
116.97240	1.2
116.98631	1.4
121.06509	37.3
123.04430	1.3
123.08071	14.0
139.07539	28.9
140.04628	0.5
149.05988	14.7
158.99672	0.6
167.07043	100.0
168.07381	0.6
175.98492	0.7
185.08072	1.4
199.09627	1.4
199.18910	4.3
209.30367	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01870	5.9
55.05510	7.2
57.07051	0.7
67.05495	1.6
69.03443	1.2
69.07060	1.4
70.95871	5.8
71.00301	0.6
71.00648	1.1
71.04987	0.8
72.93781	2.4
79.05495	4.7
81.03416	0.7
81.07062	23.2
83.04961	1.2
88.96914	0.8
91.05481	2.8
93.07043	4.5
95.04965	1.2
95.08615	3.4
97.06536	2.4
98.97629	0.7
99.04448	3.4
105.03375	1.2
105.07042	6.3
107.08591	10.0
109.06522	10.9
109.10149	4.1
111.04453	3.8
111.08131	0.7
111.98479	6.4
117.06952	0.6
119.08598	4.3
121.06537	1.1
121.10143	2.0
123.08078	2.1
123.11721	1.3
125.05996	34.6
127.03930	11.4
128.06233	0.7
129.99498	2.3
132.95848	13.4
133.10138	9.2
135.11728	4.6
137.05981	100.0
137.09576	7.6
137.40535	0.5
138.06256	0.5
143.08559	2.6
150.96883	8.1
151.03909	0.7
151.11205	1.5
155.97426	9.1
161.09633	8.3
161.13251	3.2
173.98497	9.3
179.10675	15.4
179.14328	1.2
197.09825	0.7
197.11742	13.5
197.13466	1.2
198.18527	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.66038	1.6
53.03951	1.7
53.82481	1.4
55.01876	2.5
55.05513	16.7
57.03443	2.4
57.07064	6.0
59.04987	2.4
64.93840	1.6
65.03935	1.6
67.05508	25.0
69.03424	5.6
69.07074	25.1
69.43385	13.3
71.04984	4.8
79.05502	15.1
81.03415	11.9
81.07062	48.3
83.04988	8.6
83.08622	9.1
85.06544	6.4
90.58359	1.6
91.05492	18.3
91.32268	1.8
93.06486	2.3
93.07051	37.4
95.04979	12.1
95.08614	60.0
97.06525	6.0
97.10189	4.2
99.08099	11.9
103.05463	6.2
105.07037	58.8
107.04986	1.8
107.08601	40.5
109.06525	25.8
109.10173	35.7
110.97520	2.0
111.08113	7.9
115.05450	4.0
117.06975	2.2
118.04185	2.0
119.08588	63.1
121.10160	16.2
123.08083	17.3
123.11718	21.4
131.08527	3.1
133.02795	3.3
133.06485	23.1
133.10135	47.7
135.11702	49.5
135.12729	3.0
137.09608	22.5
143.06081	2.3
147.11697	14.0
149.02411	1.9
149.13263	23.2
151.11223	7.4
151.14796	5.9
161.05998	30.4
175.11243	2.1
175.14844	62.9
178.02635	2.2
193.04968	10.5
193.08620	6.0
193.12254	3.0
193.15897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03939	1.0
55.01870	5.9
55.05510	7.2
57.07051	0.7
67.05495	1.6
69.03443	1.2
69.07060	1.4
70.95871	5.8
71.00301	0.6
71.00648	1.1
71.04987	0.8
72.93781	2.4
79.05495	4.7
81.03416	0.7
81.07062	23.2
83.04961	1.2
88.96914	0.8
91.05481	2.8
93.07043	4.5
95.04965	1.2
95.08615	3.4
97.06536	2.4
98.97629	0.7
99.04448	3.4
105.03375	1.2
105.07042	6.3
107.08591	10.0
109.06522	10.9
109.10149	4.1
111.04453	3.8
111.08131	0.7
111.98479	6.4
117.06952	0.6
119.08598	4.3
121.06537	1.1
121.10143	2.0
123.08078	2.1
123.11721	1.3
125.05996	34.6
127.03930	11.4
128.06233	0.7
129.99498	2.3
132.95848	13.4
133.10138	9.2
135.11728	4.6
137.05981	100.0
137.09576	7.6
137.40535	0.5
138.06256	0.5
143.08559	2.6
150.96883	8.1
151.03909	0.7
151.11205	1.5
155.97426	9.1
161.09633	8.3
161.13251	3.2
173.98497	9.3
179.10675	15.4
179.14328	1.2
197.09825	0.7
197.11742	13.5
197.13466	1.2
198.18527	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05511	8.6
56.96589	1.3
57.07084	2.1
65.03934	1.4
67.05507	10.6
69.07070	30.6
69.31645	12.3
71.04997	12.9
73.75215	1.2
79.05492	8.9
81.03394	1.8
81.07055	21.1
83.08614	4.2
85.06547	11.3
91.05474	8.6
93.07046	24.8
95.04972	29.3
95.08613	18.7
96.77509	1.2
97.06514	2.3
97.10164	11.2
98.20845	3.5
99.08099	4.5
100.80168	1.2
105.07039	16.3
107.08602	24.9
109.06522	100.0
109.10156	16.5
111.08071	4.8
111.11714	4.0
119.07805	2.1
119.08586	26.8
120.98944	1.3
121.10162	7.7
123.08062	6.4
123.11716	18.7
133.06491	3.6
133.10136	24.1
135.11699	32.2
137.09622	11.9
147.11678	4.5
149.13290	10.5
150.10294	1.4
151.11192	3.4
161.05962	5.0
162.41711	1.2
165.12837	1.5
175.11349	1.7
175.14841	40.8
178.02580	1.4
193.04956	7.8
193.15892	83.1
203.61932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03932	2.7
54.34936	1.3
55.01868	1.5
55.05264	1.9
55.05514	20.1
56.96564	2.3
57.03450	2.4
57.07087	6.2
59.04986	2.7
67.05174	2.1
67.05505	24.2
69.03434	10.5
69.07065	19.0
71.04975	3.8
71.46566	1.4
77.03957	1.3
79.05494	13.5
81.03422	14.8
81.07066	29.3
83.04980	19.3
83.08624	11.7
85.02878	1.2
85.06541	4.6
88.99898	1.4
91.05478	15.2
93.07047	21.7
95.04964	8.8
95.08609	53.8
97.06513	3.7
97.10185	2.2
98.97558	1.6
99.08081	3.8
103.05466	5.5
104.06193	2.0
105.07035	51.5
107.04944	2.0
107.07880	2.4
107.08599	45.8
109.06522	14.2
109.10159	70.1
111.08088	7.6
115.05437	8.3
117.07020	2.1
118.04145	4.0
119.08585	65.0
121.06481	1.6
121.10146	28.3
123.08076	34.9
123.11703	11.0
125.09616	1.6
131.08553	3.8
133.02831	1.8
133.06509	28.3
133.10130	48.4
135.11696	100.0
137.06009	1.6
137.09618	26.8
138.10397	4.2
143.06052	3.8
145.10092	1.7
147.11707	8.1
149.09618	1.8
149.13249	16.8
151.11197	9.4
151.14801	8.0
153.93935	1.6
157.10115	1.6
161.05994	41.3
165.16396	4.4
167.40845	1.3
175.07495	1.6
175.11197	3.5
175.14841	46.3
178.02487	1.3
193.04912	10.1
193.08710	7.6
193.12209	4.7
193.15889	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
53.03958	1.7
54.00003	1.0
55.05502	3.6
57.03443	1.9
57.14664	1.1
60.34681	1.1
62.71244	1.1
65.03918	1.4
67.05505	2.1
70.32838	1.0
70.93645	1.7
70.93972	1.1
71.04996	1.2
79.05497	5.5
81.03411	2.9
81.07045	2.4
86.23004	1.4
91.05487	47.5
93.07043	6.6
95.04964	3.1
95.08614	1.5
103.05466	4.7
105.07042	66.5
105.31867	1.0
107.08573	5.1
108.05730	3.8
109.06517	2.9
112.98724	1.0
115.05449	10.9
116.06229	13.2
117.07016	4.5
118.04141	1.4
118.07794	3.2
119.04995	1.2
119.08609	2.7
121.06494	11.9
123.08076	15.0
125.18219	1.3
128.98615	1.2
129.06985	7.8
131.08585	44.9
133.02823	1.3
133.06505	23.6
133.07491	2.3
133.09116	2.4
133.10135	48.1
134.23607	1.3
135.08076	12.4
135.11673	1.8
136.05193	7.2
137.06027	1.9
137.09529	2.6
138.06775	1.8
139.07594	1.3
143.06061	1.3
147.08000	2.4
147.11691	1.9
148.08844	24.0
151.07547	25.1
161.05994	19.4
161.09642	6.6
163.07518	1.4
163.09853	2.3
163.11203	39.1
165.09103	2.5
165.12743	5.1
175.11292	1.4
175.14864	2.2
178.02673	1.2
178.09904	5.3
181.12239	3.7
191.11807	2.6
193.05020	8.5
193.08643	11.4
193.12259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
52.20486	0.5
53.03938	1.5
55.05503	2.8
57.03424	1.3
59.04979	0.9
59.74858	0.5
67.05483	0.7
69.03402	0.5
69.26637	2.1
69.27070	2.2
71.04983	0.8
72.91557	0.5
77.92823	0.5
78.85587	0.5
79.05488	3.9
81.07066	0.7
85.06519	0.5
91.05482	45.5
93.07041	5.8
95.04936	0.9
95.08609	0.7
103.05481	3.3
105.07032	49.1
107.04922	1.2
107.08596	4.9
108.05746	3.8
109.06521	2.6
109.10136	0.6
115.05453	6.2
116.06236	11.2
117.07016	5.5
118.07803	4.3
119.04961	0.8
119.06053	0.5
119.08591	2.8
120.09361	0.7
121.06509	11.3
121.10136	1.0
122.07291	1.6
123.07190	0.9
123.08064	12.4
128.06190	0.7
129.07008	7.7
130.07832	1.3
131.08568	47.0
133.06496	15.3
133.10132	41.4
135.08054	11.8
135.11726	0.9
136.05197	7.2
137.05974	0.7
137.09596	2.7
138.06744	1.9
139.07523	1.1
146.07268	1.4
147.08058	2.4
148.08826	26.3
149.09662	1.1
151.07547	22.5
161.05995	1.8
161.09645	6.0
163.07523	2.1
163.11176	36.6
164.11588	0.5
165.09128	2.1
165.12733	4.7
178.09908	6.3
181.12236	2.7
191.11807	3.5
193.12244	100.0
194.12639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26169	0.7
56.91872	0.8
56.96567	0.8
63.52648	0.6
69.56227	0.8
70.27456	1.2
70.27859	2.2
71.01363	0.9
76.70595	0.7
78.04705	2.1
79.05492	1.4
81.07045	1.4
89.03920	2.6
90.04713	5.0
91.05488	4.3
92.05800	1.2
93.07027	1.1
102.04716	1.0
102.35588	0.8
103.05479	14.2
104.06251	14.4
105.03382	1.7
105.07029	2.6
106.04166	3.1
106.07390	1.4
108.08942	1.3
114.04665	1.9
115.05472	1.0
117.03378	8.4
118.04126	2.3
119.04938	2.7
119.08561	1.1
120.08899	1.1
121.06516	3.6
122.10485	1.0
131.04935	91.3
132.05714	91.8
132.08928	2.2
133.06543	3.9
133.10086	1.9
134.03630	1.8
134.10472	3.3
145.02823	1.7
146.06003	2.3
146.10431	2.0
147.04387	0.9
149.05989	17.7
159.04405	1.7
160.05199	41.2
161.06007	4.8
167.30438	0.7
174.13608	2.9
175.07542	1.4
177.05481	50.3
179.49380	0.9
191.06964	1.3
192.07825	100.0
192.14618	3.0
193.04984	1.0
193.08156	1.0
202.90178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88310	0.6
53.03922	0.9
55.01871	3.5
55.05499	1.2
67.05500	1.8
69.03381	0.7
69.07068	10.9
69.66579	3.3
71.04995	1.2
76.91275	0.6
79.05476	2.5
81.07044	2.3
82.74345	0.6
83.04960	1.5
91.05499	4.7
93.07046	10.3
95.04951	1.4
95.08604	2.7
97.06526	1.5
98.20798	1.2
103.05434	1.0
105.07026	4.5
107.08604	7.9
109.06533	5.3
109.10175	5.9
111.08107	0.8
117.07013	1.8
119.08572	2.3
121.06511	14.6
121.10151	7.2
123.08091	3.2
129.06999	0.9
131.04878	1.0
131.08582	6.1
133.09122	0.9
133.10135	14.3
135.08060	10.0
135.11705	2.2
142.99838	0.6
143.08577	1.0
144.09337	0.7
145.10127	2.9
147.11697	21.6
147.36496	0.7
149.09610	2.4
149.13268	7.2
158.10910	1.6
161.09613	4.6
163.11220	1.0
163.14806	1.0
173.13277	13.0
176.11961	1.8
191.14320	100.0
192.14700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73299	0.9
53.00299	0.8
53.03939	1.3
55.01862	2.0
55.05504	4.0
56.96564	1.4
57.07077	24.5
57.46809	0.8
59.05003	100.0
65.03950	1.1
67.05506	7.8
69.03433	5.9
69.07075	7.0
70.10677	1.8
70.11060	3.2
71.04994	4.6
77.03944	0.9
77.29932	0.9
79.05495	8.7
81.07063	8.9
83.04962	2.2
83.08630	2.2
85.06547	1.9
91.05486	10.5
93.07050	12.1
95.04968	6.3
95.08610	9.5
97.06528	3.3
97.10180	1.8
98.97623	1.4
103.05472	11.4
105.03400	1.0
105.07035	16.1
107.04944	5.1
107.07895	1.0
107.08599	18.2
109.06523	18.0
109.10162	18.0
111.08078	1.8
111.87365	0.9
115.05476	2.3
117.07019	6.2
118.04155	2.9
119.04986	1.4
119.08587	9.7
121.06505	5.8
121.09350	0.9
121.10158	13.6
123.08103	5.7
123.11709	7.5
129.07008	2.7
129.11555	0.9
130.04147	1.9
130.07782	2.5
131.04926	9.3
131.08563	23.5
133.02841	1.3
133.06514	1.3
133.10127	22.3
135.08063	21.7
135.08965	0.5
135.11697	10.7
143.08557	2.1
145.06499	1.9
145.10129	13.1
147.08075	1.3
147.11678	5.9
148.05222	5.7
148.08829	1.2
149.05949	1.4
149.09598	7.8
149.13258	5.7
155.08676	0.9
158.10954	3.4
159.08064	2.9
161.09557	1.6
161.13235	1.1
163.03943	1.2
163.07550	9.1
163.11159	4.9
163.14832	3.0
173.05986	2.2
173.09624	3.0
173.13278	20.2
176.04695	1.9
183.55177	0.8
191.03349	5.3
191.07016	15.3
191.08694	1.1
191.09065	1.3
191.10698	14.4
191.14313	50.6
191.17888	7.3
199.70557	0.9
207.89775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01876	3.4
55.05502	4.1
57.45355	1.6
61.83457	1.7
67.05501	18.2
69.03436	29.0
69.07073	11.9
69.51802	13.1
71.05009	13.6
79.05489	13.2
80.92978	1.8
81.07062	10.9
83.04975	4.0
83.08629	2.5
85.06528	3.5
91.05490	14.9
93.07046	9.4
95.04956	12.8
95.08619	13.5
97.06532	3.3
98.20622	1.7
105.07039	22.3
107.04980	2.8
107.08603	35.6
109.06522	71.5
109.10163	84.6
115.05463	2.2
117.07019	7.8
119.08583	9.8
121.06489	6.2
121.10158	24.7
122.07244	2.3
123.08062	18.0
129.07071	2.9
131.08574	41.6
133.10141	79.7
135.08066	85.1
135.11676	3.3
137.09651	12.2
143.08577	4.2
145.10139	9.3
147.11697	12.4
148.08890	1.7
149.09607	10.3
149.13240	14.0
150.10368	3.4
158.10918	10.2
161.09608	2.6
163.14873	6.2
167.84929	1.7
173.13275	44.0
176.11952	1.9
191.14322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.2
57.07077	0.7
67.05508	3.0
69.03429	10.5
69.07083	3.0
69.64641	2.9
79.05494	6.2
81.07056	5.5
83.04991	1.9
83.08636	0.5
91.05486	5.0
93.07041	5.2
95.04962	1.1
95.08616	2.1
97.06546	0.6
98.20796	0.8
103.05465	2.2
105.07032	9.7
105.07693	0.8
107.04935	3.1
107.08601	17.6
107.86782	0.5
109.06516	1.4
109.10165	6.0
115.05472	1.0
117.07000	1.5
118.04152	0.8
118.07739	0.8
119.08583	3.0
121.06491	1.8
121.10141	11.5
122.07303	3.7
123.08077	1.5
131.04929	2.1
131.08565	5.0
133.10135	100.0
135.08063	4.8
135.11690	1.9
137.09627	20.8
143.08549	1.4
145.10110	2.9
146.43045	0.5
147.11665	2.6
148.05209	1.3
149.09599	1.6
149.13274	9.5
158.10922	3.6
163.07578	2.8
163.11136	0.8
163.14821	2.1
173.13263	11.0
191.06949	2.4
191.10713	0.7
191.14304	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88247	0.9
53.03926	0.9
55.01867	2.1
55.05509	3.3
57.07069	1.1
66.08051	0.9
67.05507	5.5
69.03437	11.1
69.07081	9.9
69.52891	0.9
69.96312	4.6
71.69840	1.0
79.05493	6.1
81.07068	12.4
83.04991	8.4
83.08607	2.6
91.05498	8.0
93.07055	11.9
95.04984	10.7
95.08623	15.4
97.06543	4.7
99.64221	1.0
103.05451	3.0
105.07045	9.1
107.04936	2.1
107.08605	31.9
109.06548	7.1
109.10192	2.7
111.08088	1.5
117.06998	3.3
119.08601	6.7
121.06530	14.3
121.10166	27.6
121.11038	1.5
123.08086	4.3
123.08929	1.0
131.04959	1.9
131.08578	13.0
133.06505	1.9
133.10143	13.0
135.08051	15.2
135.11694	4.3
136.08897	0.9
137.09663	0.9
143.08566	3.2
145.10081	6.6
147.08090	1.7
147.11691	14.8
148.08839	4.9
149.05943	0.9
149.09615	12.0
149.13275	8.5
149.93675	0.9
158.10904	4.9
161.09570	1.3
163.07588	2.1
163.11195	1.1
163.14845	7.1
173.13290	20.6
176.12003	1.2
191.07031	1.2
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.02551	1.4
53.03944	2.6
55.05509	7.0
56.96564	3.3
57.03433	2.7
57.07072	3.5
59.04967	1.9
67.05515	9.8
69.03419	5.3
69.07066	17.4
70.58714	4.2
71.04987	3.5
73.02866	1.5
77.03910	1.6
79.05495	17.7
81.07064	14.3
83.04988	3.9
83.08606	2.3
85.02908	2.0
85.06555	2.8
89.76916	1.3
91.05482	37.8
93.06501	1.8
93.07052	25.4
95.04956	4.4
95.08614	15.9
97.06529	4.7
98.97605	3.2
99.08090	2.1
103.05467	2.2
105.07039	45.5
107.04945	5.8
107.08600	88.6
109.06524	7.5
109.10165	9.8
110.97557	1.9
111.08067	1.6
115.05424	2.6
116.06231	3.7
117.07007	13.0
118.04153	1.9
119.08588	49.5
121.06519	6.1
121.10146	35.8
121.10774	0.8
123.08058	5.2
123.11737	2.5
129.06999	6.0
130.07788	4.7
131.04890	4.3
131.08571	88.2
133.10136	59.2
135.08055	16.9
135.11713	12.1
137.09604	3.4
143.08586	10.5
144.09369	5.4
145.06505	2.6
145.10132	38.8
147.08026	1.9
147.11700	16.2
149.01231	2.3
149.09657	9.5
149.13261	15.9
155.10651	2.0
158.10915	18.8
161.13312	7.3
162.10365	1.6
163.07582	2.5
163.11226	3.7
163.14845	18.5
173.05994	4.9
173.09642	4.1
173.13264	77.7
179.04680	4.0
191.03343	2.1
191.07018	6.8
191.10663	13.5
191.14314	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.05507	8.0
57.07074	6.5
65.03947	6.1
67.05522	18.9
69.03423	9.7
69.07077	15.2
69.64787	13.0
69.82002	2.1
71.04988	2.4
79.05499	32.9
81.07067	20.5
83.04986	5.1
83.08623	4.3
85.06536	4.0
89.10567	2.4
91.05489	90.5
93.07057	29.4
95.04995	6.6
95.08611	12.6
97.06570	2.8
98.21495	4.7
103.05476	11.4
105.07043	97.5
107.04970	3.9
107.08608	82.2
109.06541	12.5
109.10153	5.1
115.05454	12.0
116.06260	10.1
117.07037	37.7
119.08591	81.8
121.06512	5.8
121.10158	71.0
123.08098	9.4
128.06233	10.9
129.07002	38.4
130.07813	15.0
131.04941	9.3
131.08582	100.0
132.09322	3.4
133.10152	45.2
134.10896	2.7
135.08064	27.5
135.11667	4.1
141.06966	3.3
142.07787	3.1
143.08578	67.5
144.09331	18.6
145.10136	65.2
147.11702	37.6
149.09659	10.1
149.13261	39.1
156.09338	4.2
157.10149	3.6
158.10918	53.8
161.09648	2.6
163.07578	2.7
163.14833	2.9
171.11620	4.4
173.13278	65.0
191.03394	3.3
191.07007	3.7
191.10683	5.0
191.14328	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01867	2.1
55.05507	7.7
55.52669	1.0
57.03422	3.0
57.07053	1.6
67.05508	10.9
69.03436	12.1
69.07076	9.3
71.04995	5.8
71.36153	2.7
79.05487	15.2
81.03385	1.4
81.07062	12.1
83.04991	10.1
83.08605	3.2
85.06534	3.8
91.05476	29.4
93.07044	18.3
95.04960	3.2
95.08604	10.2
95.98234	1.2
97.06543	8.7
98.97574	4.9
103.05445	5.2
105.07030	40.8
107.04939	4.7
107.08593	42.2
109.06507	9.3
109.10130	8.2
111.08054	3.0
115.05423	3.5
116.06232	3.7
117.07026	13.4
119.08586	26.8
121.06503	12.4
121.09335	1.8
121.10143	26.6
123.04453	1.3
123.08075	8.6
123.11669	1.6
128.06161	1.6
129.06989	10.5
130.07770	5.4
131.04895	3.3
131.08568	100.0
133.06477	2.4
133.10132	90.0
135.04433	1.1
135.08052	19.2
135.11685	6.2
137.09639	1.7
143.08571	8.4
144.09314	3.6
145.06467	4.6
145.10121	49.1
147.08049	7.7
147.11679	19.6
148.08910	1.1
149.06010	1.6
149.09628	29.4
149.13260	15.4
155.08565	2.4
158.10907	14.4
158.99681	1.8
161.09583	3.5
163.07520	7.6
163.11232	6.5
163.14784	6.6
171.11543	1.2
173.09660	12.2
173.11774	2.8
173.13263	55.0
176.11949	2.1
179.29802	1.3
191.03322	1.4
191.06831	7.0
191.10672	40.7
191.14302	96.6
211.12746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05502	4.2
57.03419	2.0
57.07072	1.4
57.09633	1.5
64.88610	1.2
66.82052	1.4
67.05523	6.9
69.03423	3.2
69.07066	6.4
70.65202	3.9
71.04986	5.4
79.05505	7.1
81.07063	10.6
83.08611	2.4
85.06548	4.5
91.05490	17.0
93.07052	13.2
95.04972	8.9
95.08629	8.3
97.06545	7.7
105.07043	39.5
107.08598	18.4
109.06530	29.2
109.10158	24.5
111.08054	1.5
115.05457	2.5
117.07024	4.6
119.08585	24.7
121.06522	2.7
121.10159	13.8
123.08077	4.9
123.11711	5.0
129.06964	1.8
131.08580	39.8
133.10143	100.0
135.07115	2.4
135.08067	27.2
135.11707	1.5
140.71730	1.5
143.08539	6.2
144.09337	2.7
145.10139	18.4
147.08112	1.8
147.11696	25.6
149.09604	12.0
149.13255	15.7
158.10951	12.6
163.11185	2.0
163.14848	3.9
173.13277	61.0
191.06958	1.6
191.14323	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	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03947	1.1
55.01871	2.2
55.05513	1.3
57.03435	1.2
65.03942	0.8
67.05509	6.0
69.03425	1.1
69.53429	5.1
71.04988	1.9
77.04420	0.6
79.05497	12.2
79.75845	0.6
81.03455	0.7
81.07052	2.7
83.04984	3.1
91.05486	22.3
93.07053	7.8
95.04979	3.6
95.08609	1.5
97.06529	1.0
103.05457	1.8
105.07037	16.0
107.04954	6.8
107.08613	9.6
108.05728	0.9
109.06524	3.9
115.05474	2.0
116.06260	3.0
117.07027	13.7
119.08590	12.7
121.06534	6.3
121.10108	3.9
123.08074	0.8
128.06244	2.0
129.07024	9.6
130.07825	3.8
131.08575	100.0
132.08960	1.0
133.06522	1.3
133.10147	6.3
133.64561	0.7
135.04395	2.5
135.08078	3.1
135.11700	1.8
143.08578	2.2
145.06503	6.0
145.10133	47.0
146.10561	0.8
147.08061	10.3
147.11700	1.7
148.78723	0.7
149.05995	2.1
149.09627	15.4
155.08582	3.9
156.47694	0.7
158.07243	1.0
158.10791	0.7
161.09680	0.7
163.07564	13.3
163.11180	5.6
173.09631	22.4
173.13304	3.6
187.84425	0.7
189.09117	0.8
191.10683	66.4
191.14261	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	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
55.05510	0.7
56.96567	2.4
57.07078	16.8
57.26414	0.3
59.31849	0.3
59.45775	0.4
59.74070	0.3
59.99110	2.3
60.26704	0.4
62.99041	0.5
65.03975	0.4
65.61743	0.4
67.05480	0.4
68.49506	0.4
69.00573	0.3
69.03418	0.7
69.07059	0.7
71.04974	0.5
71.54417	0.5
78.00157	26.6
79.05495	0.6
81.07057	0.6
83.04980	0.5
84.08151	0.6
85.32646	0.4
86.09719	7.6
86.26112	0.4
91.05469	1.1
92.01702	0.8
93.07026	0.4
95.05014	0.6
95.08610	0.6
102.03350	0.7
102.04680	0.8
103.05453	1.0
105.07023	1.3
105.80376	0.4
106.06572	0.4
107.08565	0.7
109.06454	0.4
109.10167	0.7
111.04453	0.6
115.04121	0.7
116.05310	0.5
117.03381	0.7
117.06992	0.6
118.06535	0.5
119.04859	0.4
119.08569	0.8
120.08143	0.7
121.06464	0.6
121.10133	0.7
123.95857	0.4
124.04654	1.1
130.06512	2.1
131.04936	1.6
131.08554	0.8
132.05705	0.7
132.96416	0.4
133.10143	1.0
134.06360	35.7
134.10461	0.5
135.08058	0.6
137.03574	0.7
143.07307	0.4
144.08060	2.0
145.10077	0.8
146.04121	1.5
147.04408	5.4
147.11589	0.6
148.07918	2.5
148.12086	0.5
149.02368	2.5
153.47765	0.5
160.05182	1.4
167.00081	0.6
167.05530	0.5
172.07581	0.6
173.13223	0.9
175.03905	2.9
185.01230	1.6
185.04823	0.5
190.06279	12.6
190.09050	1.9
190.12613	100.0
191.06921	0.7
191.12886	0.8
191.14372	2.0
203.02242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01876	2.4
55.05513	2.0
57.03434	1.0
57.52171	0.4
61.48418	0.5
65.03963	0.5
67.05506	7.6
69.03428	1.8
69.07069	1.3
71.04995	2.8
71.05896	0.5
71.06250	1.1
79.05492	14.4
81.03427	1.0
81.07045	3.7
83.04980	3.8
85.06499	0.5
91.05482	27.3
93.07044	8.2
95.04964	3.3
95.08614	2.5
96.81477	0.4
97.06550	1.4
103.05468	3.9
105.07034	21.0
107.04961	7.6
107.08593	10.9
109.06530	3.5
109.10175	1.4
111.08096	0.7
115.05469	1.4
116.06241	3.3
117.07018	14.3
119.08585	15.9
121.06504	7.3
121.10155	6.3
123.08080	1.1
125.05974	0.6
128.06253	1.4
129.07007	9.7
129.07921	0.8
130.07779	4.2
131.04919	1.9
131.08571	100.0
132.08911	0.9
133.06519	1.0
133.10132	13.8
135.04431	2.9
135.08064	4.5
135.11702	2.1
143.08554	2.6
145.06500	6.6
145.10126	48.1
146.10400	0.6
147.08049	10.5
147.11658	3.8
148.05165	0.6
149.05957	2.4
149.09616	18.0
149.13269	2.4
153.06979	0.8
155.06184	0.5
155.08534	3.8
158.07259	0.7
158.10899	1.4
161.09615	0.7
163.07541	14.8
163.11182	6.6
163.14868	1.1
167.07076	0.6
173.09633	22.4
173.13261	8.5
191.03447	0.8
191.07079	2.3
191.10672	69.3
191.14265	10.4
192.11050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01862	2.6
55.05502	3.7
57.07075	10.4
65.88890	1.2
67.05506	6.7
69.03437	7.2
69.07077	9.4
70.84443	1.8
70.84808	2.3
79.05496	6.3
81.03357	1.5
81.07050	6.5
83.04961	4.0
91.05483	12.3
93.07053	10.2
95.04961	4.1
95.08618	9.8
103.05460	2.4
105.07036	32.9
107.04961	22.6
107.08595	7.1
108.09388	3.6
109.06509	3.6
109.10183	1.2
115.05466	1.4
117.06989	4.7
119.04928	4.1
119.08589	40.0
121.06515	6.6
121.10120	5.0
128.06261	3.3
129.03355	1.0
129.05438	1.2
129.07014	6.2
130.07759	1.6
131.08586	12.1
133.06506	21.9
133.10136	16.4
135.08054	3.4
141.06996	2.6
142.07803	1.9
143.08571	9.9
145.06493	2.7
145.10106	9.4
146.07240	1.7
147.08057	52.0
147.11703	22.4
155.08701	1.5
156.09364	17.9
157.07658	1.8
159.08051	7.8
159.11714	3.4
160.08875	6.4
161.09663	9.5
161.13266	22.3
171.11702	23.8
174.06786	1.5
174.10414	13.2
189.09103	4.3
189.12753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33383	0.8
53.03946	0.8
55.05506	4.5
57.07072	1.4
59.68770	0.9
61.46987	0.9
64.74387	0.9
66.61072	0.8
67.05493	3.2
69.03435	8.2
69.07060	3.2
69.42825	5.4
79.05480	3.7
81.07047	3.0
83.04982	3.4
91.05476	9.8
92.41516	0.8
92.42086	1.0
93.07050	5.8
95.04950	2.9
95.08600	2.9
99.74035	0.9
105.07031	27.7
107.04967	4.1
107.08575	4.1
109.06549	1.7
115.05458	1.5
117.06997	3.2
119.04955	4.9
119.08578	38.7
121.06495	3.8
121.10133	1.6
124.04596	0.8
128.06212	3.4
129.05576	1.0
129.07028	5.7
130.07791	1.7
131.08582	7.6
132.05710	1.8
133.06506	8.4
133.10132	12.4
135.08044	6.9
141.06992	3.7
142.07690	1.5
143.08548	8.7
144.09363	1.2
145.06442	2.3
145.10136	10.9
147.08051	22.6
147.11694	23.9
155.08545	2.4
156.09358	27.8
157.06476	1.2
157.10156	1.1
159.08014	6.5
159.11684	7.0
160.08864	3.5
161.09645	7.1
161.13257	18.3
171.11694	38.3
174.06764	2.7
174.10400	9.1
176.25830	0.8
178.70439	0.8
189.05493	2.2
189.09183	10.5
189.12743	100.0
189.16362	3.3
190.13033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05507	2.7
67.05492	1.8
69.03424	6.1
69.07069	1.3
69.57214	3.3
78.31072	0.6
79.05478	1.7
81.07039	2.1
83.04982	1.2
91.05477	4.5
92.71666	0.6
93.07037	2.2
95.04960	1.0
95.08582	0.6
97.93816	0.5
98.21458	1.2
105.07034	12.7
107.08591	2.3
109.06506	0.9
116.06261	0.7
117.07023	2.7
119.04909	0.7
119.08590	24.1
121.06523	1.9
121.10150	1.3
122.60707	0.6
128.06190	1.7
129.05479	0.7
129.07016	3.0
130.07770	2.2
131.08568	5.7
132.05745	0.8
133.06497	2.7
133.10127	8.9
135.08055	2.5
141.06996	4.7
142.07822	0.8
143.08614	4.9
144.09332	0.7
145.06458	1.7
145.10123	10.5
146.10884	1.3
147.08064	9.8
147.11707	13.5
149.09637	0.8
149.56148	0.6
155.08527	1.4
156.09352	29.6
159.08051	7.3
159.11684	8.5
160.08849	4.0
161.09612	4.2
161.11971	1.0
161.13264	11.0
169.76947	0.7
171.11696	38.6
174.06755	0.9
174.10390	18.7
189.05455	1.5
189.09135	2.2
189.12750	100.0
190.13107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1122
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
53.03943	5.1
55.01865	3.8
55.05511	31.2
57.03440	37.7
57.07079	65.2
61.02934	16.2
67.05494	9.4
69.03082	3.3
69.03430	42.2
69.06728	2.3
69.07069	25.3
70.91884	1.7
71.01337	3.7
71.04978	7.8
71.08601	4.4
71.57661	3.5
73.02923	13.7
76.78060	2.0
77.17371	1.8
77.52312	2.1
79.05501	18.3
81.03402	6.3
81.07058	35.0
83.04985	22.1
83.08610	16.0
85.02906	19.9
85.06545	43.8
86.82764	1.7
87.04424	2.0
91.05470	8.0
93.07054	12.9
95.08607	6.7
97.02890	2.7
99.04450	12.7
99.08085	5.9
103.03958	3.1
105.07018	3.3
107.08581	8.6
109.06510	6.7
111.04465	12.0
111.08060	12.4
119.08540	2.1
125.09609	8.4
127.07558	100.0
129.03365	2.0
129.05498	17.5
129.09132	5.3
135.08052	3.0
141.09090	5.9
147.11713	2.9
149.02272	2.3
153.09109	27.0
171.10158	8.4
189.05473	9.5
189.07614	5.5
189.09157	3.6
189.11227	2.9
189.13930	3.9
189.16418	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.14983	0.8
51.44959	0.8
53.03932	2.7
53.96892	0.8
55.05513	4.2
56.96551	0.9
57.03434	2.7
61.02918	2.4
67.05497	3.5
68.99796	0.9
69.03431	10.3
69.07065	1.6
71.04972	1.9
71.53989	1.3
76.67806	0.8
77.03938	1.2
79.05488	2.1
81.03419	1.4
81.07040	2.7
83.04984	5.1
85.02913	16.2
87.00819	5.9
89.83990	0.8
91.04903	1.1
91.05485	20.3
93.07041	2.2
93.28313	0.8
95.04975	2.6
95.08594	2.9
99.04462	3.0
103.05497	2.2
105.03400	20.9
105.07040	14.6
106.96602	0.9
107.04951	6.9
107.08577	2.4
109.06487	1.2
109.10172	1.5
111.00782	1.2
111.04434	2.2
114.66183	0.8
115.05452	2.1
116.98592	1.3
117.07019	3.7
118.04169	4.9
119.04957	11.1
119.08577	9.2
121.06529	7.4
124.04632	1.3
128.06239	11.8
129.03386	5.6
129.05582	5.3
129.07016	32.0
130.07794	1.4
131.04924	7.3
131.08543	5.4
132.05687	1.3
133.02881	9.9
133.06497	5.0
133.10135	10.4
143.08566	4.1
144.05687	3.1
145.06488	3.2
145.10194	2.3
146.07289	12.9
147.04369	0.9
147.06451	1.2
147.08054	5.4
147.11681	4.8
148.05200	100.0
155.06039	2.2
156.09346	1.0
157.06503	19.2
158.01257	1.4
158.07254	2.5
159.08052	2.5
159.11691	1.0
161.05997	25.6
161.09627	42.3
161.13255	2.8
171.03001	0.9
171.08087	1.5
171.11694	3.5
174.06781	15.7
174.10400	1.7
189.05505	12.3
189.09111	64.4
189.12680	11.7
189.16400	8.8
190.06152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.96556	1.0
60.78853	0.4
66.40336	0.3
67.05534	0.4
71.38303	0.7
84.04513	1.0
85.02907	0.4
91.05466	2.9
92.16304	0.4
95.08556	0.4
98.97583	1.3
103.05480	0.5
104.05124	0.4
104.57250	0.4
115.05452	4.2
117.05756	1.3
117.07021	3.9
118.06545	57.3
119.01833	0.9
119.06913	0.4
128.02274	0.7
132.08057	0.6
142.06525	5.3
143.07312	9.1
144.04434	1.0
144.08089	22.6
145.06570	0.5
146.06010	100.0
147.06354	1.2
155.06050	1.0
158.99641	0.8
160.07568	1.6
167.04710	0.7
170.06012	8.2
176.05203	0.6
177.00630	0.4
183.42439	0.3
188.07068	27.4
193.99550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.2
57.03438	0.4
64.25496	0.4
64.39479	0.4
67.05524	0.5
69.03443	0.9
69.07078	0.7
69.67301	1.3
69.67709	1.0
77.19049	0.4
81.13315	0.4
83.05000	0.6
84.04499	2.3
84.82986	0.4
85.02897	0.7
90.06244	0.4
91.05484	3.4
97.02917	0.5
98.97599	2.6
103.05482	0.5
110.01284	0.5
115.05446	4.6
116.98626	0.7
117.05786	0.7
117.07036	3.9
118.06550	61.3
119.06830	0.6
119.78490	0.5
128.02327	1.3
129.05687	0.5
132.08134	0.7
137.02809	0.6
142.06554	4.1
143.07318	8.5
144.04477	0.8
144.08095	22.2
145.06473	0.7
146.06017	100.0
146.91750	0.4
147.06406	0.8
155.06087	0.9
158.99666	1.0
160.07623	1.2
167.04677	0.6
170.06029	7.7
170.11731	1.2
176.05203	0.8
188.07076	30.2
195.95865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05510	0.6
56.05038	1.2
56.96569	1.2
57.03431	1.2
59.05003	2.6
60.04523	1.5
61.02928	8.1
64.15590	0.3
67.44873	0.4
69.03419	1.1
70.02957	1.6
71.04996	1.1
71.38607	0.4
72.04513	0.4
74.06080	0.4
74.97601	0.5
75.04474	0.8
82.06594	2.8
83.04992	4.4
84.04510	100.0
85.02911	17.9
86.06065	0.7
87.04475	7.3
91.05511	0.5
93.07032	0.4
96.04504	0.5
98.06062	0.8
99.02836	0.7
99.53017	0.8
100.07612	1.1
102.96883	0.4
104.05820	0.4
105.05458	0.3
105.07032	0.6
108.53697	0.4
110.06061	3.1
111.04457	1.8
121.52472	0.5
126.05534	5.8
128.06206	0.6
128.07088	5.3
129.05476	1.5
140.30046	0.4
146.06099	0.6
146.08110	0.6
168.11148	0.4
170.08148	0.9
171.06563	0.6
171.11726	0.5
174.10524	0.6
188.07939	0.6
188.09227	12.9
189.09102	0.4
189.12761	1.6
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
55.05500	0.2
55.70327	0.2
60.82298	0.2
61.47926	0.2
66.86884	0.2
67.05524	0.2
69.03436	0.2
69.54353	1.0
81.03407	0.2
84.04525	0.7
85.02926	0.2
89.30049	0.2
98.20737	0.3
128.04964	13.6
128.07056	0.4
142.08672	0.3
146.06010	100.0
147.06404	1.0
148.06465	0.2
169.07614	0.4
174.05511	26.4
175.05859	0.2
188.07062	24.0
188.10698	0.6
188.20160	0.2
189.09027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.01858	0.7
55.05514	1.7
56.96567	11.6
57.07078	1.4
67.05515	1.3
69.03444	2.4
69.07063	0.7
69.31812	4.8
71.04996	0.9
71.95296	0.6
79.05482	2.3
81.03414	2.0
81.07066	4.1
83.08625	2.1
84.08177	0.8
85.02941	1.2
85.06520	0.7
88.02200	6.3
91.05493	4.9
93.07058	1.2
95.08628	1.4
97.02889	0.5
98.04509	0.5
99.04446	0.6
100.07614	0.6
101.96282	1.0
104.53911	0.5
105.07030	6.7
105.86684	0.6
107.08594	0.8
109.02867	0.9
109.06463	0.5
109.10141	0.8
110.96832	2.0
113.02594	0.6
115.05458	0.7
116.98508	0.5
117.07011	4.7
119.04388	2.3
119.08581	6.7
119.97337	8.9
122.03074	1.4
122.47607	0.7
123.08088	0.8
127.03921	1.2
127.05910	0.5
128.06218	1.2
128.97844	11.5
129.02272	1.2
129.07043	2.3
130.07784	4.3
131.04967	1.3
131.08565	5.2
131.48111	7.8
133.10143	1.4
134.04871	0.7
137.98364	5.6
140.48647	7.0
140.98781	0.8
141.07028	1.1
142.07790	0.6
142.98901	1.5
143.08568	6.1
144.05722	0.7
144.09341	2.2
145.10124	100.0
146.10454	1.0
147.03316	1.1
149.49173	3.8
151.99417	1.9
154.07777	0.6
154.49634	0.5
157.07822	0.5
157.10104	5.3
158.10925	3.9
159.06941	0.8
159.08078	2.2
159.11693	11.8
160.99895	0.7
166.08270	1.7
169.04984	1.2
169.10204	1.0
170.10915	0.5
172.08855	1.2
172.12460	4.5
175.08786	0.6
185.13332	0.8
186.59525	0.6
187.02400	0.5
187.03952	1.6
187.06136	1.0
187.07516	3.2
187.11256	8.1
187.14821	75.1
187.22502	1.6
188.15157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.05515	2.1
56.77789	0.5
56.96568	9.9
57.07093	1.6
64.29494	0.5
67.05496	2.7
69.03429	3.2
69.07070	0.7
70.79016	1.0
70.98013	0.5
71.05017	1.2
79.05493	1.5
81.03442	2.9
81.07077	3.4
83.04999	0.7
83.08636	2.9
85.02911	1.7
85.06544	0.8
85.61761	0.5
88.02216	7.5
91.05492	3.5
93.07047	0.6
95.04989	0.7
95.08628	2.4
97.02894	1.1
98.97600	0.6
99.04458	0.8
101.96280	1.3
103.05502	0.6
104.90830	1.0
105.07036	4.9
107.08612	0.6
109.02884	1.1
109.10170	0.8
110.96807	2.3
111.34954	0.5
113.96429	0.6
115.05434	1.4
117.06990	4.1
119.08576	6.1
119.97328	9.9
122.47576	1.4
127.03923	1.8
128.06161	0.7
128.97849	14.2
129.07005	1.8
130.07791	3.5
131.04939	1.0
131.08568	5.8
131.48137	8.3
131.98296	0.7
133.10170	1.1
137.98360	3.7
140.48636	9.6
141.07016	1.2
142.98888	2.5
143.08568	5.4
144.05705	0.7
144.09338	1.5
145.10129	100.0
146.03220	0.7
146.10446	0.9
149.49193	4.3
151.99440	2.5
157.10153	4.0
158.10931	4.4
159.06915	0.8
159.08086	2.3
159.11705	8.9
160.99913	1.2
164.03027	0.7
169.10081	0.8
172.08832	1.5
172.12512	5.0
187.03886	3.5
187.07465	4.1
187.11270	5.5
187.14830	75.9
187.22557	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	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
52.23672	1.5
53.03945	2.8
55.01880	3.0
55.05517	9.3
57.03432	3.3
57.07075	5.8
59.05007	3.9
67.05509	55.6
69.03441	8.4
69.07076	10.6
70.70962	4.4
71.04998	71.9
79.05501	17.5
81.03423	4.3
81.07061	52.2
83.03768	1.4
83.04990	7.4
83.08632	3.1
85.02932	3.4
85.06549	100.0
87.04459	1.9
88.02227	4.8
91.05482	39.1
91.06024	3.0
92.43877	1.4
93.07055	29.1
93.82801	1.5
95.04985	3.1
95.08606	6.1
97.06540	4.8
98.97579	1.7
99.04466	2.0
105.07037	45.0
107.08601	35.4
109.02884	2.3
109.06549	7.2
109.10166	60.3
111.08093	3.1
113.05998	3.1
123.08044	2.2
123.11734	12.8
125.09605	1.9
127.03923	1.9
127.07588	2.5
131.08577	5.0
133.10139	88.9
139.11194	1.5
144.05716	1.6
145.10133	3.9
151.11192	47.0
159.08098	3.5
159.11732	2.4
169.12283	16.4
187.07617	8.8
187.11206	4.8
187.13210	2.5
187.14891	3.6
188.02371	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.28748	0.8
53.03944	2.4
55.01858	1.3
55.05511	8.2
56.96551	3.1
57.03436	1.6
57.07075	2.4
59.04988	2.6
67.05509	7.6
69.03416	4.1
69.07067	23.6
70.06587	3.0
71.04993	23.8
71.06931	0.9
71.56439	1.5
79.05491	16.9
79.05920	1.8
81.03410	3.4
81.07056	100.0
83.04984	7.3
83.08608	1.3
84.04490	1.1
84.08135	3.7
85.02886	3.2
85.06532	2.4
86.09698	2.3
87.08098	1.3
88.02228	5.3
89.06020	1.3
89.14157	0.9
91.05471	4.3
93.07065	4.7
95.04970	3.4
95.08608	5.3
97.02861	1.2
97.06527	7.2
97.10159	2.4
98.97578	4.9
99.04467	2.0
99.08079	6.1
101.05988	1.5
103.03294	1.1
103.05479	4.7
105.07015	3.3
107.08585	13.5
109.02875	2.9
109.06552	5.2
109.10154	22.4
111.08081	2.9
111.11723	9.1
113.06055	1.0
116.98627	1.6
117.06959	1.3
118.17014	1.0
121.10143	3.1
123.08070	2.6
123.11703	23.8
124.04587	1.1
125.09624	1.7
127.03923	2.7
127.07590	1.5
129.06955	1.5
131.04932	10.5
131.08583	3.1
133.10124	4.5
139.11195	9.1
141.07019	3.3
144.05699	2.5
145.10101	1.6
151.11177	15.1
157.12221	4.8
158.99646	1.9
159.04434	2.7
159.08043	5.5
159.11696	2.7
166.05505	1.1
169.05136	1.2
169.12224	9.7
172.05165	1.9
172.08844	2.4
175.06187	2.7
182.03110	1.2
187.03925	3.5
187.06071	1.3
187.07538	9.8
187.11147	6.1
187.13100	1.9
187.14824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.02353	0.9
53.03954	6.1
55.01861	4.3
55.05507	8.3
56.96339	0.8
56.96565	8.4
57.03437	4.7
57.07056	1.2
59.04990	3.2
60.95844	1.6
61.02901	0.9
65.03928	1.5
67.05502	10.2
69.03423	7.3
69.07070	31.2
70.06599	1.5
71.04991	11.9
72.08141	1.5
73.02895	1.5
77.03938	1.2
79.05492	36.4
81.03393	2.2
81.07060	15.3
83.04989	6.1
83.08598	2.3
85.02895	5.5
85.06524	3.9
86.09702	3.4
87.04475	1.4
89.08096	0.9
91.05482	21.5
93.03390	3.4
93.07043	52.8
95.04966	9.1
95.08609	7.0
97.02918	1.2
97.06520	9.3
97.10155	2.3
97.99178	1.6
98.97588	30.1
99.04436	1.3
99.08062	1.1
101.05993	1.6
102.96875	16.0
103.05450	1.3
105.04520	1.7
105.07039	14.9
107.04955	7.5
107.08596	55.0
108.15939	0.9
109.06516	16.1
109.10147	4.4
111.04460	7.4
111.08076	6.4
113.05930	1.6
116.80674	0.9
116.98607	10.6
119.01908	2.2
119.03625	3.2
119.06053	1.5
119.08608	1.6
120.01998	4.2
120.97913	11.4
121.00822	1.2
121.06518	24.2
121.10143	30.6
123.08061	4.8
123.11689	1.6
125.05993	11.0
125.09647	11.4
126.12781	1.1
127.03851	1.3
128.02359	1.1
129.06966	3.7
131.08574	10.4
134.99666	3.1
135.08022	1.9
137.09601	2.1
138.98926	4.3
139.01793	1.3
139.07545	7.4
139.09488	1.3
139.11169	7.1
144.04346	3.0
149.09621	100.0
149.13280	2.0
153.04890	22.3
153.09113	6.0
157.06400	2.0
157.10136	1.4
158.09489	1.0
158.99652	18.3
161.02988	1.1
162.05428	6.3
163.01753	2.3
164.55746	1.8
167.07051	2.4
167.09293	1.8
167.10669	11.7
167.14294	1.7
177.00717	12.5
178.98573	1.0
181.02824	3.1
185.02663	2.3
185.04404	2.2
185.05937	3.4
185.09460	2.0
185.11682	3.9
185.13240	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	183.0653
Annotation	Hydroxyphenyllactic acid
Peak:m/z	Relative Intensity
51.02380	1.4
53.03709	1.1
53.03949	15.9
55.01873	4.1
55.05509	0.7
56.96563	0.8
57.03434	1.1
61.02927	0.6
65.03944	4.8
66.46707	0.5
67.05508	11.1
69.03431	5.4
69.07076	0.6
70.95066	0.7
70.95392	0.7
71.04990	1.3
77.03931	3.7
79.05478	1.3
81.03428	3.4
81.07054	1.9
81.64344	0.5
83.04972	1.2
85.02895	1.5
91.05479	1.4
93.03400	0.6
93.07031	2.3
95.04969	100.0
95.08598	2.0
97.02888	1.5
97.06488	1.0
98.98479	0.8
99.04459	2.5
100.97161	0.9
100.98022	0.8
103.03917	0.6
105.03375	1.6
105.04522	7.0
105.06973	0.8
109.02905	0.9
109.06527	1.5
109.10141	1.1
111.04482	0.8
112.76775	0.6
119.04955	0.5
119.08570	1.6
121.03970	1.0
121.06498	0.7
121.10139	1.0
123.04430	97.8
123.08065	2.4
124.07581	2.7
125.02348	4.6
125.06002	0.9
125.09612	0.9
137.09616	1.9
139.07576	1.0
140.04684	35.7
142.03468	0.7
147.08051	0.7
155.07031	31.5
160.35292	0.6
165.05484	0.9
165.09109	2.1
165.12831	0.8
166.08624	0.8
168.58839	0.6
183.06560	8.3
183.10112	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	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.24030	0.9
53.03941	6.0
55.01876	3.8
55.05508	7.3
55.98711	0.9
56.96565	6.7
57.03439	3.8
57.07081	1.9
59.04995	3.0
65.03931	1.2
67.05511	9.9
69.03434	6.6
69.07072	19.9
69.15740	1.0
69.97687	1.8
69.98078	2.1
70.06575	1.1
71.05003	9.5
72.08155	2.5
74.97610	1.4
77.03902	1.3
78.90699	0.8
79.05499	35.7
81.03413	2.5
81.07059	12.5
83.04983	4.3
83.08632	2.4
85.02909	2.8
85.06561	2.6
86.09716	2.0
88.01756	1.0
90.09402	0.9
91.05483	22.1
93.03427	2.9
93.07051	48.8
95.04980	6.7
95.08617	5.8
97.02883	1.2
97.06540	6.5
97.10204	1.6
98.97591	20.7
99.04459	1.4
101.00873	1.0
101.06008	1.0
102.96874	12.8
103.05470	1.9
105.04497	1.4
105.07043	12.7
107.04962	8.5
107.08598	45.6
109.06525	15.1
109.10158	2.9
111.04456	6.9
111.08057	5.8
113.05991	1.8
114.05529	1.2
116.06290	1.1
116.98632	6.7
119.01897	2.1
119.03640	2.3
119.06039	1.3
119.08581	1.9
120.02030	3.2
120.97916	7.9
121.00838	0.9
121.06512	23.0
121.10153	31.8
123.04439	1.3
123.08060	4.0
123.11749	1.0
125.02370	0.9
125.06021	7.7
125.09636	9.9
126.05601	0.9
127.07599	1.1
129.07025	2.6
131.08563	13.6
134.99681	1.8
135.08087	2.8
137.09639	2.2
138.98953	3.2
139.07613	5.2
139.09480	0.9
139.11163	6.4
140.00249	1.0
149.09628	100.0
149.13264	1.9
152.98569	1.1
153.04887	16.5
153.09111	5.3
157.06509	1.2
157.10086	1.4
158.99692	12.5
161.02942	1.3
162.05434	5.3
164.55762	1.8
167.07066	1.9
167.09245	1.6
167.10699	10.0
177.00732	8.3
181.02916	1.7
185.02774	1.3
185.04462	2.2
185.05983	1.6
185.08029	1.8
185.09464	1.1
185.11681	3.1
185.13275	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02381	1.5
53.03709	1.2
53.03946	16.7
55.01875	3.6
55.05507	1.9
56.96560	3.3
57.03433	3.0
59.04992	0.7
61.02929	1.1
65.03932	4.3
67.05173	1.0
67.05508	10.1
68.99785	0.8
69.03431	8.7
69.07064	0.8
69.66094	3.7
71.04969	0.8
73.02916	1.4
73.66145	0.7
75.31301	0.7
77.03922	3.3
78.03918	0.7
79.05482	2.3
81.03413	2.5
81.07055	4.0
83.04972	3.0
85.02881	3.3
85.06555	1.1
87.04460	1.1
91.05492	1.8
93.07053	2.2
95.04967	100.0
95.08592	4.7
96.05304	0.8
97.02906	0.9
97.06543	0.7
98.97575	1.9
98.98453	1.8
99.04472	2.8
100.97210	1.3
100.98007	0.8
101.00850	0.8
105.03410	3.3
105.04519	6.6
105.07037	1.8
107.08607	1.1
109.02905	0.7
109.06521	2.2
109.10189	1.4
110.03642	0.8
111.04449	1.9
111.08083	0.9
116.98633	0.9
118.98173	0.7
119.08582	2.9
121.03981	0.7
123.04430	92.8
123.08065	5.0
125.02353	4.0
127.01579	0.7
133.02855	1.1
137.05937	0.8
137.09589	2.9
139.07539	1.8
139.11189	0.7
140.04684	31.8
141.05440	0.8
142.03531	0.8
147.08157	0.9
147.11679	0.9
151.07561	2.4
155.07030	27.1
165.01782	0.8
165.05484	1.3
165.09116	2.4
183.02974	1.0
183.06564	9.9
183.10121	2.3
183.11597	0.8
183.13666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Hydroxyphenyllactic acid
Peak:m/z	Relative Intensity
51.02394	0.6
53.03951	17.0
54.82928	0.6
55.01878	4.6
57.03444	1.0
58.97431	0.5
65.03949	4.2
67.05512	9.1
69.03445	4.4
69.07063	0.6
69.71481	2.9
70.76455	0.5
77.03947	4.2
79.05502	1.1
81.03420	2.3
81.07074	0.9
83.05013	1.2
85.02914	1.1
91.05486	1.0
93.03435	0.8
93.07042	0.8
95.04978	100.0
95.08640	1.4
97.06552	0.7
98.21421	0.6
98.98500	0.7
99.04465	2.0
105.03397	1.4
105.04527	8.1
105.07048	0.8
109.06548	1.1
109.10168	1.1
111.04460	0.8
118.98280	0.5
119.08604	1.3
123.04441	93.8
123.08045	1.4
124.07594	2.2
125.02377	4.0
125.05961	0.6
127.07610	0.9
137.05949	0.9
137.09583	1.0
139.07497	0.9
140.04700	30.8
143.34142	0.5
147.04401	0.5
148.80644	0.5
155.07045	29.1
155.10579	0.7
165.09154	1.2
183.06557	8.3
183.10182	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1905
Annotation	Dicyclohexylamine
Peak:m/z	Relative Intensity
53.03939	0.5
55.05510	12.3
56.96555	0.5
63.44276	0.4
67.05489	0.8
69.03416	1.2
70.58897	1.4
79.05440	0.4
81.07048	0.5
83.04984	0.4
83.08619	23.0
83.49774	0.4
94.06528	0.5
95.04964	1.0
95.08584	0.7
97.06509	0.5
98.20871	0.4
98.97600	3.9
99.97922	1.7
100.11259	20.7
108.08920	0.4
108.33586	0.4
116.98604	2.2
117.98952	1.1
123.04451	0.4
128.88014	0.5
134.99677	0.7
136.07579	1.7
146.10504	0.6
154.08586	0.5
164.07056	0.6
164.10687	0.5
182.08162	1.3
182.19046	100.0
183.19373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91421	3.3
52.98775	3.6
53.03950	4.3
55.01871	14.0
56.96564	15.5
57.03442	48.1
57.38026	3.1
61.02936	28.3
68.98308	4.4
69.03429	29.8
70.82092	8.9
71.01346	3.5
71.04996	7.8
73.02920	62.5
79.02180	3.6
81.03426	16.3
82.99855	12.1
83.04990	6.2
85.02918	44.7
86.03698	3.2
87.01905	4.7
87.04470	4.9
93.01908	14.2
94.02680	4.3
97.01434	3.6
97.02907	42.2
98.97578	30.9
99.02011	4.8
99.04462	8.7
100.02646	4.6
100.97207	5.7
100.97980	3.6
101.00883	86.5
102.00968	5.5
102.02417	21.3
106.02661	4.0
108.02430	9.2
109.02946	10.3
110.97581	6.6
111.02953	18.9
113.00880	24.9
114.02421	5.4
115.02426	6.8
115.03189	4.6
116.98636	4.6
118.98131	4.3
119.01926	100.0
120.05299	3.7
121.03185	7.2
123.02942	11.0
124.02477	7.6
124.04706	3.4
127.02412	9.3
127.03941	12.2
128.02325	3.6
128.98593	3.8
129.02914	9.5
131.01915	36.9
132.01979	4.9
132.03448	10.5
133.03470	5.7
135.03001	10.7
136.07504	3.5
137.02946	13.1
137.07939	14.6
138.03462	19.8
139.02423	5.5
142.03500	52.3
143.00198	4.6
143.01897	57.1
144.02048	7.9
144.03470	5.7
145.01543	3.9
145.03453	18.6
147.01379	3.7
147.03996	7.3
153.04005	5.7
155.01917	46.3
157.03505	14.7
160.04512	15.3
161.02969	44.0
162.03577	6.3
166.05823	6.6
166.08708	4.5
167.01906	20.0
169.03522	7.2
171.04155	9.3
173.02965	45.7
174.03214	6.4
175.04527	3.7
178.05640	4.1
179.02260	4.6
179.04086	7.2
183.04799	4.6
183.06273	4.2
183.08603	3.4
185.02974	35.4
187.04527	5.6
197.03006	6.4
199.04546	4.3
203.04037	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03949	1.6
55.01886	3.7
55.05521	3.5
57.07071	1.4
57.38940	0.7
65.03932	1.7
67.05507	8.4
69.03429	2.1
69.07070	1.9
69.42905	5.8
79.05496	21.9
81.07062	37.2
81.81836	0.7
83.04983	2.0
83.08627	0.7
91.05489	9.8
93.03387	1.4
93.07050	47.2
95.04980	4.3
95.08594	1.1
97.06528	1.7
98.21542	1.4
98.97585	14.2
103.05443	0.8
105.07039	14.7
107.04951	1.3
107.08600	17.4
109.06534	18.5
110.98568	0.7
116.98634	6.1
117.07023	6.6
119.08593	18.9
121.06525	3.6
121.10152	43.0
123.08057	1.1
125.05992	3.0
127.07561	9.5
128.06241	0.7
130.07811	5.9
133.06445	0.8
133.10095	1.0
134.99678	1.6
135.04427	3.0
135.08075	15.9
135.10689	1.4
135.11696	21.8
137.09604	1.4
143.08588	2.7
143.80624	0.7
145.10130	69.2
146.10493	0.7
148.08818	1.3
151.11192	13.9
163.03999	1.1
163.11191	100.0
164.11574	1.1
181.12250	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.63892	0.4
51.52035	0.4
52.40209	0.5
54.98629	0.6
55.01870	1.2
55.05523	1.1
56.96564	5.9
57.03414	0.6
57.07077	1.1
59.04998	1.0
63.40477	0.5
65.03928	0.6
66.21397	0.5
67.05502	2.1
69.03076	0.9
69.03431	8.6
69.07068	3.4
70.48562	0.8
70.48916	1.4
71.04981	1.0
71.95253	1.4
72.39632	0.5
79.05489	5.7
79.31399	0.5
81.07064	3.7
83.04974	3.5
85.06553	0.6
91.05481	5.2
93.07044	9.2
93.07568	0.9
95.04971	2.4
95.08604	1.5
97.06543	5.0
98.97588	100.0
105.07029	5.5
107.04967	4.2
107.08598	10.8
109.06523	1.7
109.10164	2.8
111.08087	0.9
116.98624	41.4
117.03318	0.6
117.07025	3.2
119.08549	3.2
121.02895	0.8
121.06519	4.4
121.10150	17.6
122.07291	1.8
123.08067	2.0
125.05989	1.9
125.09602	0.6
129.06960	0.6
130.07800	2.1
134.99667	10.8
135.04420	1.3
135.08104	1.2
135.11696	7.0
137.05997	0.9
137.09624	8.1
139.11255	0.9
140.00185	3.8
145.02873	0.7
145.10127	19.7
149.02307	0.5
151.07611	1.6
153.00734	1.1
158.01251	2.5
163.03920	3.9
163.07539	0.7
163.11188	23.9
181.04977	1.4
181.08603	2.9
181.12227	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	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03948	2.5
55.01875	7.9
55.05509	5.2
57.03436	10.6
57.99792	0.8
59.04995	1.2
65.03944	2.1
67.05510	10.6
69.03421	5.5
69.07047	0.9
70.72890	2.1
75.76402	1.0
77.03915	1.5
79.05494	28.5
81.02663	1.0
81.03404	1.7
81.06583	1.8
81.07056	30.6
83.04977	3.2
91.05483	58.6
93.07045	47.1
95.04980	7.1
95.08615	8.1
97.06491	1.1
103.05467	1.6
105.03388	2.7
105.07034	54.9
106.52122	1.2
107.04977	2.0
107.08607	15.3
108.05740	1.3
109.06519	17.0
109.10188	4.9
112.07612	0.8
115.05454	2.8
117.07007	6.3
119.04942	10.7
119.05844	1.0
119.08584	25.9
121.06528	4.0
121.10124	2.3
123.04448	7.9
123.08070	39.7
123.11664	1.2
125.06026	1.2
127.07555	14.2
128.06201	4.2
131.08569	9.6
133.02847	1.5
133.04823	2.5
133.06506	8.0
133.08455	3.3
133.10133	77.0
135.08057	100.0
135.11674	3.0
136.05251	2.0
137.05995	8.3
137.09639	6.6
143.08571	10.2
145.06487	1.2
146.07275	2.2
147.04405	15.6
149.09514	1.1
151.03911	2.6
151.07565	1.7
151.11195	18.3
161.05980	8.2
161.07956	10.0
161.09621	46.9
161.13274	2.3
164.04639	1.0
179.03406	22.3
179.07071	18.9
179.09052	1.8
179.10646	25.9
179.14267	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02390	0.4
52.16375	0.2
55.01865	2.0
55.05506	0.4
55.86046	0.3
56.96566	0.4
57.03428	0.6
65.03938	0.3
67.05487	1.0
67.30534	0.3
69.79469	0.8
69.79860	0.7
77.03921	0.6
79.05498	1.5
81.03414	0.4
81.07068	1.5
83.04974	0.7
89.03925	2.0
91.05485	3.0
93.07051	1.8
95.04971	1.6
95.08599	1.2
98.97554	0.4
104.62128	0.3
105.03398	3.8
105.07036	2.7
107.04944	0.4
107.08597	0.4
109.02898	0.4
109.06503	1.0
109.10139	0.3
110.60078	0.3
115.52612	0.5
117.03368	1.2
117.06980	0.4
119.04940	2.2
119.08569	2.8
121.06551	0.5
121.10119	0.4
123.04430	31.9
123.08022	1.4
133.02856	22.2
133.06485	1.1
133.10133	3.3
135.04427	4.0
135.08063	2.4
135.11552	0.3
137.05977	2.3
137.09618	1.2
144.03729	0.4
147.04408	3.2
151.03917	8.2
151.11201	0.6
161.02393	0.4
161.05948	0.8
161.09596	1.8
161.13197	0.3
163.71962	0.3
179.03395	100.0
179.10550	1.9
180.03777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0862
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
53.24670	0.2
54.80170	0.3
60.15228	0.3
68.46364	0.3
70.67640	0.6
75.62740	0.3
79.05511	0.7
81.07061	0.5
84.50909	0.2
88.02225	0.3
91.05515	1.2
92.02573	0.3
93.07074	0.7
104.05016	0.7
105.07066	1.0
106.06578	0.5
115.05453	3.9
115.06178	0.4
116.05016	0.7
117.03403	0.7
117.05756	3.0
117.07031	0.3
118.04176	1.1
118.06549	8.4
118.07358	0.5
119.04997	0.5
119.08621	0.7
120.08128	1.1
132.04454	20.1
132.08086	36.7
133.06505	0.4
133.10149	0.7
135.08080	0.6
137.05989	0.5
140.04938	0.9
142.06519	10.4
146.03662	5.4
147.04410	1.3
150.06331	0.6
150.09087	0.7
160.07574	100.0
161.05934	0.6
161.07925	1.3
161.09543	0.6
163.03868	1.3
171.05380	0.3
178.06317	3.1
178.08620	13.0
179.03442	0.6
179.07123	0.4
179.10655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
55.01867	0.3
55.05505	0.2
56.96571	0.1
67.01866	1.3
67.05493	0.4
68.99439	0.2
68.99793	2.4
69.61060	0.5
69.61463	0.3
71.01339	0.2
77.03919	0.1
79.05475	0.1
81.03410	0.5
81.07047	0.3
83.04954	0.2
91.01859	0.3
91.05481	0.7
93.07066	0.1
95.01325	0.2
95.04975	0.4
95.08594	0.3
105.03378	0.6
105.07013	0.7
107.08562	0.2
108.08150	0.1
109.02885	0.3
109.06509	0.2
111.04447	1.7
115.52623	0.2
119.04929	0.7
119.08582	0.2
121.06469	0.2
121.10162	0.2
123.04453	1.0
127.03939	0.4
133.02837	1.4
133.06499	0.4
133.10118	0.4
137.02324	1.4
137.05991	0.5
137.09608	0.2
147.04361	0.9
151.03911	0.3
151.07561	0.2
155.03389	1.5
161.02365	0.8
161.05997	0.5
161.09673	0.3
161.13277	0.1
162.23463	0.1
179.03401	100.0
180.03752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03944	0.8
63.02385	1.1
69.19149	4.2
78.04706	2.8
79.05492	0.9
81.07051	1.0
83.08658	0.8
89.03922	31.6
91.05484	2.8
93.07040	1.7
95.04967	0.5
95.08605	1.1
98.98470	0.9
103.05463	2.0
105.03399	0.7
105.07030	0.6
106.04202	3.3
107.08607	1.5
117.03384	63.4
118.03723	1.0
121.06527	1.4
121.10145	3.0
125.93431	0.5
131.04955	0.7
131.08621	0.6
134.03650	7.2
135.04440	4.2
135.11765	0.6
145.02852	100.0
146.03209	1.3
147.04440	0.5
149.05988	20.8
150.69037	0.4
158.06001	0.7
159.04407	0.5
159.08153	0.6
162.03175	1.2
163.03922	1.8
177.05475	36.9
177.12758	1.4
177.16400	1.5
178.05815	0.5
186.05493	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	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03943	0.9
55.01859	1.7
55.05515	2.6
55.75649	0.4
57.03437	0.8
57.07095	0.5
58.38909	0.4
59.04993	0.5
62.98364	0.5
65.03922	0.8
67.05508	1.7
69.03433	29.6
69.07072	4.0
70.70762	0.6
70.71099	0.9
71.04986	1.8
72.50417	0.4
73.95172	0.5
78.04707	0.5
79.05494	3.0
81.03434	0.9
81.07062	3.0
83.04983	8.7
85.06513	0.6
89.03923	2.9
91.05479	6.9
92.25449	0.5
93.06488	1.0
93.07047	16.5
95.04954	1.6
95.08619	2.3
97.06552	1.1
98.97584	2.0
98.98462	1.1
103.05457	1.7
105.07029	8.0
106.04173	0.7
107.04978	2.5
107.07871	0.9
107.08597	15.6
108.08893	0.6
109.06522	1.6
109.10136	0.8
115.05470	1.0
116.98620	0.6
117.03386	5.5
117.07025	5.0
119.08579	8.5
121.05666	0.9
121.06502	12.6
121.10139	4.7
123.08022	0.8
129.06998	2.0
130.07761	0.8
131.04922	2.0
131.08568	6.4
133.06479	1.6
133.10146	6.0
134.03667	0.7
135.04370	0.4
135.08058	10.0
135.10724	0.6
135.11690	7.2
144.09370	6.3
145.02855	9.3
147.08028	2.9
149.02298	1.0
149.05963	3.1
149.09627	1.0
149.13266	2.3
157.10106	0.8
159.04323	0.9
159.11696	23.7
161.09680	0.6
162.10405	5.8
177.05473	6.0
177.12752	100.0
178.08629	0.5
178.13101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58360	1.1
53.03963	1.5
54.03465	4.1
55.01878	7.2
55.05503	2.6
56.96572	20.2
57.01552	1.1
57.03439	2.3
57.93558	3.8
58.99595	6.5
59.04979	1.7
59.53964	1.2
62.02680	1.3
67.05499	4.0
67.56184	1.2
69.03407	3.0
69.07069	2.6
70.06581	3.0
70.39851	4.5
71.04984	3.5
71.95267	2.4
72.04523	19.5
73.02894	2.0
74.06083	6.2
75.94598	1.4
79.05478	2.3
81.03407	3.4
81.07045	1.4
85.02887	2.9
86.99052	2.9
87.04490	10.7
89.03916	2.1
90.05563	11.2
91.05477	4.3
95.04964	2.0
95.08619	1.9
97.02879	5.9
98.06072	7.3
98.97593	67.0
98.98454	4.1
100.03979	1.7
102.05552	51.6
103.05441	3.4
104.07119	15.7
107.04952	3.0
109.02877	2.0
110.96806	1.2
110.97589	1.4
114.05502	3.8
116.07074	2.8
116.97289	17.0
116.98631	48.2
117.03369	2.4
119.97322	1.7
120.08106	3.6
120.08881	2.0
121.06549	1.4
123.04456	2.6
126.05518	13.7
127.03936	1.4
128.02315	1.4
128.97813	2.4
130.06534	35.2
130.08618	1.3
130.09702	1.6
131.01859	1.8
131.08604	1.3
131.99554	5.4
132.04448	4.6
132.08133	2.1
134.03673	1.6
134.10532	2.5
134.95834	1.8
134.99663	21.7
140.00198	1.9
140.07051	5.5
141.05476	1.9
144.06573	100.0
145.02844	5.0
148.07562	5.2
149.06015	3.2
152.96906	6.5
153.00746	2.9
158.01277	3.4
158.06017	19.9
158.08131	5.9
161.04672	2.7
175.98576	9.9
176.03471	2.3
176.07016	24.5
176.09389	10.9
176.10655	7.0
176.14259	2.9
177.05464	5.5
179.05521	1.6
199.39900	1.2
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
53.03939	0.8
56.96558	0.5
63.02378	0.8
63.61873	0.4
67.05505	0.6
69.07070	1.0
69.17282	2.4
69.17709	2.2
78.04715	2.0
79.05503	1.7
81.07087	1.0
87.30675	0.5
89.03922	35.5
90.04255	0.5
91.05495	4.1
93.07055	2.7
95.04951	0.5
95.08609	1.7
98.97637	0.5
98.98454	1.8
98.99080	0.4
103.05484	1.2
105.03342	0.5
105.07033	0.7
106.04195	3.9
107.04974	0.8
107.08610	2.2
108.76583	0.4
109.06448	0.5
113.48984	0.4
117.03387	71.2
118.03674	0.7
119.08600	0.5
121.06513	1.3
121.10139	2.0
124.05209	0.5
130.06570	0.5
131.08557	1.4
133.10138	0.4
134.02650	0.5
134.03638	8.1
135.04430	3.5
135.07957	0.5
135.11696	1.0
144.09306	0.5
145.02850	100.0
146.03197	1.2
149.02373	1.0
149.05989	22.8
158.06010	1.4
159.11708	1.0
162.03131	2.4
163.03885	2.8
177.05476	38.2
177.12695	2.0
177.16370	1.6
178.05792	0.8
186.05513	4.2
188.03452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.65662	0.6
53.03949	1.1
54.30083	0.6
55.05519	5.0
57.07066	0.9
67.05495	2.0
69.03415	1.5
69.06726	1.0
69.07071	12.4
71.56476	0.7
71.56932	0.9
77.03899	0.8
79.05484	3.8
81.07066	9.9
83.08616	3.2
85.02911	1.2
91.05490	12.8
93.07046	3.9
95.08605	6.4
97.02885	0.9
98.98467	5.9
103.05482	1.6
104.06252	1.0
105.07035	25.1
107.04936	0.8
107.08599	5.3
115.05465	2.6
117.07029	3.6
119.08588	83.2
121.10163	1.3
128.06218	1.3
129.07001	2.8
131.08563	5.4
132.05685	3.8
132.95811	1.1
133.10136	77.5
134.10493	0.7
142.07748	1.3
145.06442	1.0
145.10159	4.9
146.10898	1.5
147.08072	4.2
147.11705	9.9
157.10146	2.0
159.11687	1.1
160.05223	3.7
160.12477	3.1
173.13272	1.7
175.07550	11.0
175.11400	5.6
175.14835	100.0
176.15167	1.4
187.91121	0.7
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
50.86389	0.5
51.02420	0.4
53.03955	0.6
55.01884	1.4
55.05520	6.4
56.96576	1.1
57.07076	0.6
65.03954	0.9
67.05512	2.6
69.03437	1.1
69.07073	19.1
71.56574	0.6
79.05513	4.2
81.07060	10.7
83.08624	3.3
84.45102	0.5
91.05486	14.2
93.07054	5.8
95.04998	0.8
95.08620	10.2
97.02903	1.6
98.98475	8.4
102.04673	0.6
103.05467	1.3
105.07041	31.1
106.07336	0.8
107.04980	1.4
107.08607	6.6
109.10164	1.0
111.04466	0.7
115.05449	6.5
116.06246	0.9
117.07005	5.0
119.08588	81.4
120.08829	1.0
121.10155	1.7
128.06187	0.7
129.03358	0.8
129.07007	3.2
130.04160	1.4
131.04881	1.1
131.08572	5.0
132.05702	2.5
132.95854	0.8
133.06503	6.5
133.10138	67.2
134.10478	0.7
142.07762	1.7
143.04950	1.5
144.05716	1.3
145.06526	3.2
145.10147	4.8
146.10895	1.4
147.04353	1.0
147.08060	3.9
147.11699	13.4
157.06361	0.8
157.10115	2.8
158.10796	0.6
159.11713	0.8
160.05203	9.1
160.06377	1.1
160.12508	3.1
161.05992	14.4
163.07582	1.2
171.74028	0.5
173.13229	1.9
175.03928	0.6
175.06297	0.4
175.07550	22.5
175.11244	9.9
175.14839	100.0
176.08333	10.1
176.15149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58496	0.4
55.01886	1.2
55.05520	0.7
56.96584	0.5
69.07097	1.0
70.07409	2.1
79.05515	1.4
81.07088	0.9
82.07412	0.9
89.03963	1.7
91.05481	3.1
92.05829	1.1
93.07037	0.9
95.04961	0.4
95.08642	0.9
96.08968	1.1
97.02929	0.6
98.06091	0.8
98.97601	0.6
103.05462	2.2
105.03386	0.7
105.07039	20.9
106.04196	0.4
106.07352	2.3
107.08618	0.5
108.08970	0.9
115.05454	3.0
117.03398	2.1
117.07037	0.7
118.04160	2.4
119.08577	2.3
120.08910	6.2
121.06510	0.8
129.03368	8.9
130.06551	1.2
131.04947	5.0
133.06503	34.7
133.10133	1.4
134.06911	0.6
134.10455	4.8
140.07043	0.7
143.06041	1.7
145.02826	2.7
145.06477	4.1
145.07301	0.3
146.07294	0.8
147.08072	1.7
148.12041	1.1
149.05975	2.2
158.08165	0.8
161.05989	100.0
162.06343	1.5
175.07549	7.1
176.08331	76.4
176.15216	9.4
177.05444	1.3
177.08910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34144	0.5
52.85476	0.5
53.03948	0.6
55.05515	7.4
57.07069	1.0
57.16034	0.5
63.79623	0.5
67.05508	1.8
68.68293	0.4
69.07072	20.6
70.07420	0.7
71.00225	1.2
79.05500	1.8
81.07061	4.2
83.08623	3.9
88.82885	0.5
91.05481	7.1
93.07037	3.0
95.08607	4.3
98.98473	3.4
103.05486	1.1
105.07034	18.3
107.08601	4.4
111.83630	0.6
117.07049	2.8
117.07772	0.6
119.08585	69.9
121.10143	2.0
130.15694	0.5
131.08556	3.4
132.09332	0.5
133.10133	61.8
135.11626	0.8
145.10118	5.7
146.10909	0.8
147.11702	9.2
147.12845	1.0
147.38399	0.5
157.14183	3.0
159.11760	0.7
160.05185	0.7
160.12473	3.7
169.40474	0.5
173.13255	2.4
175.07515	1.8
175.14830	100.0
176.15135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.68817	0.5
53.03955	1.1
55.05509	3.9
57.07075	0.9
67.05501	3.2
69.03428	1.1
69.07068	9.1
71.56178	0.5
71.56579	0.5
77.03973	0.4
79.05492	4.4
80.98991	0.6
81.07056	19.5
83.04946	0.5
83.08640	1.1
85.02909	0.8
87.18941	0.4
91.05480	13.3
93.07040	6.0
95.08605	13.6
97.02891	1.3
98.98477	4.4
101.00915	0.8
103.05460	1.6
105.07035	33.5
107.08599	9.3
109.10164	0.7
109.56178	0.4
115.05445	1.1
117.07023	3.2
119.08582	100.0
120.08875	0.8
121.10159	2.3
127.03870	0.6
129.05333	0.6
129.07011	1.6
131.08585	4.1
132.05717	0.6
132.09407	0.9
132.95839	1.1
133.10133	43.6
134.10742	0.4
142.07759	0.7
143.01813	0.8
145.10101	3.2
146.06001	0.9
146.10883	1.5
147.04443	1.2
147.06337	3.4
147.08029	0.9
147.11690	14.6
148.12015	0.5
157.06543	0.8
157.10141	0.8
160.05185	1.3
160.12457	2.0
161.02986	0.6
163.06088	0.6
173.13277	0.6
175.03912	1.2
175.05872	2.4
175.07552	3.0
175.11383	3.7
175.14828	62.8
176.15196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03942	1.0
55.05292	0.9
55.05515	7.9
67.05496	2.7
69.07072	12.0
69.58118	5.1
71.04977	1.5
78.31796	0.7
79.05492	4.9
81.07064	13.6
83.08615	2.6
88.87131	0.8
91.05486	13.5
93.07052	6.4
95.08611	11.8
98.98489	4.2
103.05511	0.9
105.07040	45.0
107.08598	8.3
115.05452	1.7
117.07036	3.5
119.08591	74.7
121.10169	2.3
126.19313	0.7
129.06972	0.8
131.08598	8.6
132.53954	0.8
132.95825	0.8
133.10136	47.7
142.07901	0.8
145.10138	3.6
146.10933	3.6
147.11699	13.7
160.05226	1.6
160.12511	1.7
173.13309	2.0
174.52068	0.8
175.07524	4.2
175.14842	100.0
176.15161	1.0
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	Unknow
Peak:m/z	Relative Intensity
52.06795	0.6
53.03944	1.2
55.05518	7.2
56.58287	0.5
56.96567	1.8
57.03435	0.5
57.07073	1.1
65.03963	0.7
67.05505	2.4
69.03452	1.0
69.07071	19.0
70.70641	0.7
70.70955	1.0
79.05506	3.8
81.07068	8.6
83.04971	0.6
83.08612	4.2
91.05486	13.9
93.07042	5.8
95.04997	0.8
95.08624	6.1
95.58311	0.6
97.02897	1.0
97.15161	0.5
98.98473	3.7
99.01183	0.5
103.05516	0.9
103.20970	0.5
105.07037	27.8
107.08602	6.0
109.10090	0.6
110.97575	0.6
111.04490	0.7
115.05453	1.8
117.07030	4.3
119.08588	77.8
121.10140	3.3
128.98622	1.3
129.06999	2.3
130.06517	1.1
131.08569	7.4
132.04489	0.6
132.05734	0.9
132.09280	0.9
132.95844	1.5
133.06528	3.3
133.10138	62.8
135.11731	0.8
145.10123	7.1
146.10883	0.9
147.04395	0.9
147.08067	5.5
147.11688	13.2
157.10133	1.5
159.11732	1.0
160.05219	1.8
160.12462	2.4
173.13254	1.7
175.07553	4.6
175.11252	14.2
175.14835	100.0
176.15276	1.1
194.33781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
54.93074	0.6
55.05319	0.6
55.05515	6.7
56.96556	1.1
57.07066	1.1
67.05499	1.9
69.07074	21.5
70.92907	1.2
79.05490	1.6
81.07046	4.9
83.08632	3.8
85.70374	0.7
90.46736	0.6
91.05488	7.7
93.07042	3.0
95.08607	3.7
98.98452	2.8
105.07038	22.8
105.29158	0.7
107.08601	5.0
112.99161	0.7
115.05460	1.1
117.07048	2.3
119.08590	81.1
121.10135	2.7
129.07007	1.2
131.00221	0.7
131.08592	4.0
133.10141	69.1
135.11641	1.0
141.84015	0.8
145.10112	6.1
146.10883	1.2
147.04399	0.7
147.11697	8.8
160.12497	2.6
173.13336	2.1
175.07593	1.8
175.14838	100.0
176.15181	2.0
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	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01877	0.5
55.05515	6.0
55.65314	0.5
57.07072	1.4
61.01165	0.5
61.79885	0.5
67.05505	2.6
68.81538	0.5
69.03402	0.6
69.07072	19.7
69.50578	2.0
69.50984	0.9
70.06571	0.5
70.55938	0.4
79.05506	2.6
81.07068	6.7
83.05001	0.7
83.08624	3.6
85.02915	0.8
88.02209	0.5
91.05491	8.9
93.07062	3.6
95.08607	5.4
96.04481	0.7
97.02892	1.2
97.71457	0.5
98.21601	0.6
98.98460	7.1
103.05453	0.7
104.06289	0.6
105.07036	21.4
107.08604	5.0
109.10149	0.6
111.04451	0.8
111.16463	0.4
112.02217	1.2
115.05453	1.3
117.07040	3.2
119.08590	77.0
121.10143	2.6
127.03909	0.6
129.07013	1.5
131.08585	3.7
131.55746	0.5
132.05728	0.5
132.09369	0.6
132.95828	1.5
133.10138	62.4
134.10559	0.5
135.11707	0.7
139.11174	0.5
142.07747	0.8
145.10117	5.1
146.10860	0.5
147.04428	0.7
147.08058	3.3
147.11693	10.8
150.97012	0.6
157.06535	0.8
157.10170	1.1
159.11710	0.8
160.05202	1.0
160.12502	3.0
173.13318	1.9
175.03854	0.9
175.07497	4.9
175.11278	2.8
175.14838	100.0
176.15190	1.0
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
53.03953	0.6
55.05507	6.8
57.07079	1.2
62.04071	0.5
64.87742	0.5
67.05511	1.4
69.07070	19.0
69.61036	2.6
70.88423	0.5
72.97475	0.4
79.05489	1.9
81.07063	3.8
83.08625	3.6
91.05476	6.6
93.07040	3.4
95.08607	4.1
97.30218	0.5
98.98460	1.5
103.05479	0.6
105.07034	19.3
107.08587	4.0
117.07027	2.6
119.08582	73.5
120.08837	0.8
121.10158	1.9
129.07007	0.7
131.08546	1.8
132.09308	0.7
133.10132	59.9
134.10458	0.8
135.11620	0.7
145.10123	4.3
146.10954	0.6
147.11696	9.0
158.10846	0.8
160.05165	0.7
160.12480	3.1
173.13248	2.3
175.07562	1.3
175.14825	100.0
176.15137	1.2
191.18755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0916
Annotation	6-Methoxy-4-methylquinoline
Peak:m/z	Relative Intensity
54.48425	0.2
56.96581	0.3
60.04546	0.4
67.05519	0.3
68.05032	0.4
69.07069	0.4
69.42329	1.5
72.72697	0.2
84.04523	0.4
90.08707	0.2
91.05479	0.7
93.07053	0.2
96.04475	0.3
97.02902	0.6
98.98454	0.3
105.07039	0.3
114.05536	0.5
115.05458	12.0
116.04993	1.6
118.06559	0.4
118.07337	0.2
119.08582	1.1
126.11395	0.3
128.10738	0.2
132.08083	0.3
132.08932	0.7
132.95854	0.3
133.06454	0.2
133.10123	0.8
140.04964	2.5
142.06525	37.8
143.06950	0.3
145.08910	0.2
146.06004	0.9
160.07581	100.0
161.07967	1.4
174.09140	31.3
174.12541	0.8
174.13654	0.9
175.07530	0.4
175.09544	0.3
175.14780	1.1
181.81544	0.2
183.09183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.03585	0.6
55.05516	5.4
57.07078	0.8
57.23164	0.6
57.85588	0.6
61.17957	0.6
67.05493	1.6
69.07071	19.1
70.80441	1.2
79.05486	1.8
81.07063	4.1
83.08624	4.2
91.05491	6.6
91.06038	0.9
93.07030	2.9
95.08613	4.5
98.98466	1.2
103.05473	0.6
105.07034	18.8
107.08566	3.3
111.25349	0.6
117.07025	2.4
119.08588	73.3
121.10157	2.5
131.08595	3.3
133.10139	61.5
145.10147	5.9
146.11002	0.8
147.11691	9.2
160.12527	2.9
161.84184	0.7
173.13271	2.6
175.14835	100.0
176.15178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03952	1.0
55.01863	1.1
55.05497	1.5
56.05027	2.5
56.05828	0.8
56.96560	1.6
57.03440	6.8
60.04530	41.4
67.05500	1.4
68.05040	3.3
68.24657	0.7
69.03432	14.3
69.50324	5.4
70.95866	1.3
71.04990	0.7
72.04532	0.7
72.93794	1.1
81.07047	1.8
82.03786	0.7
84.04511	27.7
85.02913	9.7
86.06067	3.4
89.10559	0.7
91.03942	1.0
91.05477	3.2
92.05798	0.7
96.04494	12.3
97.02899	84.3
98.06072	0.8
98.20724	1.3
98.98460	0.9
100.04010	1.1
102.05557	8.7
104.66051	0.7
105.07038	3.4
106.07407	1.0
111.98470	1.7
112.04805	0.7
114.05534	35.9
115.03918	7.0
118.06550	0.9
119.08577	3.2
126.05517	0.7
128.07150	1.3
129.07047	1.2
130.06503	1.4
130.07326	1.1
131.08536	2.1
132.06583	4.3
132.08038	1.6
132.08920	4.0
132.95851	4.2
133.10104	5.0
138.05524	2.0
146.06009	2.9
146.10454	3.0
147.11760	0.8
150.96890	4.5
155.97505	2.5
156.06555	2.1
159.11206	2.0
163.53741	0.7
173.98373	1.1
174.07635	100.0
174.10054	3.6
174.12694	2.8
174.13663	4.3
174.18506	1.2
175.07782	0.9
175.14832	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	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03944	1.2
55.01870	1.8
55.05502	1.8
56.05033	2.2
56.05854	1.3
56.38403	1.0
56.96561	4.2
57.03445	8.5
60.04531	45.6
60.80139	1.0
61.02905	1.0
67.05508	1.8
68.05046	5.3
68.05820	1.2
69.03435	15.7
69.07069	2.2
69.36648	0.9
69.43647	1.0
70.12115	4.3
70.95862	3.0
71.04980	1.9
72.93784	3.0
73.02955	1.2
81.07056	2.9
82.06565	1.4
82.07389	1.8
83.04984	1.3
84.04514	29.4
85.02924	12.6
86.06059	3.5
86.09695	1.5
87.04483	2.1
88.96891	1.1
91.03929	1.4
91.05467	3.0
92.05843	1.5
95.08602	1.5
96.04500	13.7
96.08919	1.7
97.02898	94.2
98.98474	3.1
100.03992	1.1
102.05546	7.5
102.06160	1.1
105.07047	4.3
106.07354	1.5
111.98455	3.8
112.03649	1.0
112.04751	1.3
114.05541	37.8
115.03926	8.6
117.07009	1.9
118.06565	2.0
118.07352	1.6
119.08588	5.8
121.04153	1.3
127.69157	1.1
128.07076	1.7
129.07063	1.1
129.99556	1.2
130.07349	2.3
131.08556	3.4
132.06596	4.7
132.08070	2.5
132.08911	9.3
132.54988	1.1
132.95866	7.3
133.10136	5.8
138.05544	1.3
139.05168	1.5
144.08974	2.6
145.09894	1.4
146.05980	6.0
146.07028	1.3
146.08084	2.1
146.10466	6.1
147.11757	1.3
150.96893	8.5
155.97433	4.6
156.06520	2.6
156.13843	1.5
159.11296	6.8
160.05125	1.5
173.98485	5.2
174.07646	100.0
174.10098	2.8
174.12477	1.2
174.13811	20.0
174.18552	2.2
175.07539	2.0
175.11163	1.8
175.14853	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	173.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.3
56.20175	0.9
56.96556	1.8
57.07075	1.2
59.04993	4.4
63.50723	0.8
67.05501	4.6
69.07069	12.1
71.04972	2.4
71.08631	100.0
71.57094	1.0
72.93771	2.6
74.94205	1.0
79.05486	1.7
81.03400	1.9
81.07060	9.1
82.45068	0.9
83.04983	11.2
85.06525	2.9
87.04442	1.2
90.51094	1.0
90.90381	1.4
90.94810	2.8
91.05473	5.3
95.04984	1.4
95.08588	3.7
99.08091	65.8
101.06020	9.4
105.07023	5.0
109.02892	1.3
109.10139	1.7
111.04436	17.8
113.05989	4.2
113.86002	0.9
115.05461	3.3
116.06174	1.3
117.07013	5.2
119.08628	4.5
127.07565	2.4
129.05449	4.0
129.07013	2.8
129.12733	6.1
131.08568	24.3
131.92973	1.1
143.08568	9.1
144.09285	2.7
145.06470	3.5
145.10129	15.4
146.40150	0.9
149.94038	2.0
149.96123	1.2
155.07057	11.5
155.08353	1.9
155.14296	4.3
156.09337	1.1
158.07265	2.7
158.10919	12.5
173.02286	4.1
173.05957	4.2
173.08110	19.3
173.09633	8.9
173.13251	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	173.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05264	2.0
55.05514	24.2
56.96566	8.0
57.03432	1.9
57.07074	3.1
59.05020	7.2
67.05511	73.0
69.07075	3.3
69.82629	7.6
69.92870	1.3
71.04976	3.1
72.93797	2.3
79.05487	3.9
81.07068	12.3
83.04987	15.9
83.08617	6.2
85.06537	3.4
90.90385	6.5
90.94803	4.0
91.05492	14.2
93.07055	3.8
95.04948	1.8
95.08604	7.2
98.97594	2.2
99.04433	2.0
101.06010	12.7
105.07056	7.8
107.08554	1.7
108.95837	1.6
109.06472	1.8
109.10165	58.3
111.04447	21.6
111.08062	2.7
113.05997	4.5
115.05470	2.7
116.06248	2.0
116.98627	1.4
117.06996	12.3
118.29666	1.4
119.08595	7.4
120.02584	1.6
127.07539	4.1
129.05476	7.1
129.06987	6.3
130.07761	4.6
131.08578	100.0
131.93015	3.1
137.09578	2.0
141.05550	1.9
143.08546	3.8
144.09349	3.6
145.06468	2.1
145.07623	2.1
145.10123	15.0
147.03804	3.2
149.94057	7.9
149.96072	2.3
155.03426	1.9
155.07045	17.1
158.10963	7.9
173.08141	27.5
173.09740	2.6
173.11795	6.0
173.13269	83.5
174.05554	1.9
174.12790	1.7
193.03648	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03936	1.8
55.01847	0.9
55.05277	0.6
55.05516	9.1
56.96554	0.9
57.03433	1.0
57.07044	0.9
58.83050	0.7
59.04997	1.5
63.60632	0.6
67.05513	5.4
69.03420	1.8
69.07069	4.1
69.73600	3.5
71.04985	2.8
72.93797	4.2
79.05505	3.7
81.03413	1.3
81.07063	7.5
83.04987	7.9
85.02943	0.7
85.06538	1.1
87.04438	0.8
90.90373	1.1
90.94836	4.0
91.05489	14.4
93.07050	3.4
95.04966	1.4
95.08624	5.8
95.48794	0.6
97.06530	2.6
97.10151	1.0
98.97597	0.9
99.04469	1.3
99.08096	1.8
100.49283	0.8
101.06026	5.5
105.07030	13.3
107.08606	1.5
109.10143	2.4
111.04442	10.5
111.08081	1.5
113.06000	2.5
113.96384	0.7
115.05447	3.4
116.06230	2.5
117.07011	8.0
119.08595	14.6
121.10114	1.1
127.07536	1.5
128.06227	2.1
129.05466	2.2
129.07021	10.8
130.07806	4.4
131.08574	70.5
131.93045	0.7
132.95828	1.3
133.10161	2.9
137.09612	2.0
141.05479	0.8
143.08566	27.5
144.09363	7.6
145.06467	1.3
145.10127	28.7
146.05942	0.7
149.94083	1.2
149.96085	1.9
150.96953	1.0
155.07077	6.2
155.10699	1.6
156.09331	1.6
156.13855	8.5
157.10106	2.5
158.10919	30.5
158.99638	0.7
167.97166	1.6
171.11681	2.1
173.08197	11.9
173.10779	5.9
173.13268	100.0
174.13643	0.9
174.14948	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	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24519	0.5
55.05512	6.0
56.96541	0.4
57.03421	0.6
57.07079	2.8
59.04999	1.8
67.05511	4.0
68.88911	0.4
69.03415	0.7
69.07070	1.8
69.30032	1.5
69.30453	2.4
71.04993	0.9
72.93794	0.7
79.05502	1.9
81.03395	0.5
81.07056	9.4
83.04988	4.4
83.08594	0.5
85.06548	3.8
87.04460	0.6
90.94825	0.7
91.05484	7.5
91.06032	0.8
92.62607	0.4
93.07035	0.7
94.58481	0.4
95.05006	0.5
95.08616	7.3
95.29882	0.4
96.25053	0.5
97.10175	0.4
99.04475	0.7
101.06024	2.6
103.05472	0.7
105.07035	10.0
111.04450	6.2
113.06037	1.1
115.05477	2.0
116.06236	1.8
117.07024	4.7
119.08584	9.3
119.09372	0.8
127.07582	1.0
128.06216	1.4
129.05489	1.7
129.06998	5.5
130.07805	3.3
131.08569	71.5
132.08870	1.3
133.10123	2.0
137.13246	1.5
141.07060	0.4
142.07774	1.0
143.08572	14.7
144.09358	6.2
145.06476	1.0
145.10132	23.8
149.93996	0.7
155.07025	4.0
155.08490	1.1
155.14293	2.8
156.09352	1.3
157.10118	1.3
158.07278	1.4
158.10915	27.6
159.11191	0.5
171.11705	1.6
173.05954	1.0
173.08119	7.6
173.09653	5.7
173.13266	100.0
174.13547	1.3
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
51.08849	1.5
53.03948	4.2
55.05514	7.5
56.96560	4.2
58.58620	1.6
65.03933	2.5
67.05494	7.5
69.07079	2.1
70.95551	4.4
72.93777	2.7
75.23800	1.4
75.64085	1.5
79.05505	11.7
81.03402	1.6
81.07059	13.5
83.04973	5.1
88.37347	1.6
91.05485	46.6
93.02718	1.7
93.07068	9.1
95.08606	4.2
97.10197	1.9
97.99169	1.9
101.06011	3.6
103.05432	2.5
105.07037	46.6
111.04418	8.7
113.06013	2.2
115.05457	10.6
116.06250	13.7
117.07018	21.0
119.08588	40.7
128.06223	16.9
129.07021	41.6
130.07803	15.9
131.08577	91.2
132.09145	1.5
133.10149	14.3
133.11037	2.3
142.07770	3.7
143.08569	94.5
144.09360	21.6
145.06444	4.7
145.10127	51.8
155.07042	6.0
156.09351	4.9
157.10155	6.3
158.10928	73.8
158.12256	2.8
171.11699	2.9
173.06021	2.4
173.08124	8.8
173.09671	6.4
173.13274	100.0
175.23175	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03927	4.2
54.47879	1.6
55.01875	9.7
55.05514	18.1
56.96556	2.6
57.03420	3.0
57.07056	3.5
59.04979	5.1
67.05177	2.5
67.05505	24.6
69.03413	5.2
69.07069	24.1
71.04993	32.4
71.53878	1.9
72.04520	19.5
73.06580	1.7
79.05495	24.7
81.07052	21.5
83.04964	6.3
83.08626	14.1
85.06502	2.6
87.04480	1.9
89.07162	14.7
91.05471	7.4
91.05980	1.6
93.06488	3.7
93.07051	58.1
95.04946	2.1
95.08614	79.0
97.06538	100.0
105.07047	2.8
107.07878	3.1
107.08600	55.7
109.10161	43.3
110.01340	1.8
111.04446	4.5
111.08092	5.2
115.05509	1.8
123.11689	6.9
125.06004	2.9
128.02255	2.3
128.06256	5.4
129.06973	3.5
133.10127	2.3
135.11700	91.9
136.76793	1.7
139.03873	3.1
139.56082	1.5
141.12805	4.5
143.08563	5.2
153.05386	2.1
153.12743	32.6
156.09355	7.5
171.07956	4.1
171.11684	7.0
171.13730	4.3
171.14943	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	171.1382
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03951	4.6
55.01870	10.7
55.05512	35.5
56.96562	6.1
57.03437	26.5
57.07075	7.4
59.04995	8.5
61.75571	1.9
65.03928	8.4
67.05184	2.7
67.05511	42.8
69.03423	5.9
69.07072	47.8
71.04999	71.6
71.14610	4.8
72.04521	34.2
73.02917	4.6
73.06573	11.3
75.04453	2.4
79.05500	38.7
79.82584	2.2
81.03411	4.5
81.07064	100.0
83.04987	20.1
83.08625	27.6
85.02888	6.3
85.06541	30.4
87.04449	1.9
89.07160	27.6
91.05477	9.9
92.01874	1.9
93.07051	67.5
95.04994	10.1
95.08613	69.0
97.02900	3.8
97.06532	30.2
97.10154	4.1
98.97601	3.4
99.04434	2.9
99.08140	5.6
101.06004	2.6
103.05494	3.3
105.07040	4.7
107.05000	2.4
107.08606	79.1
109.06557	9.8
109.10168	37.2
111.04453	27.6
111.08096	16.6
113.09665	5.7
115.03909	2.6
123.11726	26.9
125.05997	7.8
125.09632	16.2
127.11211	7.4
128.02353	3.4
128.06264	5.2
129.07013	2.3
131.04922	2.5
135.08035	4.3
135.11700	60.3
139.00317	3.2
139.03926	11.5
141.06995	4.3
141.12762	35.8
143.08580	6.8
153.05537	5.4
153.09157	16.3
153.12753	62.9
156.09372	15.9
171.02887	4.5
171.04323	2.3
171.06589	4.3
171.07938	6.6
171.10168	9.7
171.11731	17.0
171.13731	10.2
171.15009	30.6
189.90941	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
52.08272	5.9
53.69643	5.4
55.05512	28.9
56.96557	8.4
57.03448	12.8
57.07069	10.8
67.05496	22.4
69.06734	6.9
69.07076	100.0
69.42740	11.8
69.43152	34.0
71.04989	20.1
72.04521	50.1
79.05484	19.7
81.07067	47.7
83.04967	10.7
83.08625	36.3
84.37402	5.2
85.02917	5.8
85.06545	6.7
89.07188	32.4
91.05472	7.7
93.07053	66.0
95.01339	6.2
95.08598	28.8
97.06536	39.0
98.21476	9.1
107.08615	78.7
107.24483	5.1
109.10165	49.7
110.01263	6.7
111.04422	7.2
111.08061	18.4
119.01786	7.9
123.11677	7.3
125.05962	8.5
125.09580	6.9
135.11723	52.7
139.03888	8.1
141.51509	5.3
143.08582	9.4
145.48235	4.7
149.04912	5.2
153.05402	6.0
153.12759	32.5
156.09332	8.4
161.42673	5.7
171.04366	6.6
171.08038	10.2
171.10219	6.1
171.11694	21.6
171.14995	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	171.138
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
51.25203	2.3
55.05509	20.1
56.96579	2.2
57.03432	5.5
57.07063	6.8
59.05001	6.1
67.05511	13.7
68.22102	2.4
69.03425	6.2
69.07071	56.9
71.04980	5.9
71.53943	3.5
72.04526	18.1
79.05486	10.5
81.07065	17.3
83.04974	7.8
83.08619	20.8
85.06551	3.5
87.04488	3.4
89.07144	16.4
91.05497	6.7
93.07050	63.7
95.08604	36.6
97.06535	75.1
97.10188	3.1
98.97594	6.1
107.07873	5.5
107.08600	100.0
109.10168	47.7
111.04475	6.3
111.08076	9.2
111.11709	5.2
125.05949	2.8
125.09685	2.5
125.13261	3.7
128.06235	2.6
135.10693	5.7
135.11693	74.0
137.02852	2.9
139.03976	4.6
143.08572	5.0
150.10905	3.1
153.05446	2.7
153.11545	3.1
153.12750	57.9
156.09360	11.1
156.28378	2.4
171.06563	3.7
171.07883	4.3
171.09209	9.5
171.11679	11.4
171.13678	2.7
171.14964	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	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03939	2.0
55.05516	19.3
56.96572	6.9
57.03427	2.2
57.07075	9.1
59.04982	3.0
67.05178	1.9
67.05510	24.8
69.03419	3.9
69.07073	100.0
70.79983	1.9
70.80289	1.4
71.05002	10.7
72.04511	10.7
73.06554	1.8
79.05502	11.2
81.06591	3.2
81.07061	54.1
83.04977	3.8
83.08632	19.2
85.02892	1.9
85.06544	3.1
89.07144	8.9
91.05482	5.7
93.07054	39.9
95.08612	20.0
97.06541	19.2
97.10188	1.5
97.99180	2.3
105.07012	2.4
106.37792	1.2
107.08603	38.0
108.35883	1.2
109.06568	1.6
109.10167	69.4
111.04436	4.0
111.08081	6.1
111.11720	3.0
125.05981	2.3
125.09647	3.6
128.02332	3.0
128.06200	2.0
135.08081	1.9
135.11699	33.6
136.11913	1.2
139.03925	2.7
139.53049	1.4
143.08569	3.7
153.09103	1.9
153.12747	18.3
156.09366	10.3
171.07922	3.0
171.11674	7.5
171.13663	1.6
171.14993	8.1
178.98605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(E)-2,4-Ochtodiene-1,6-diol
Peak:m/z	Relative Intensity
53.03944	3.2
55.01876	57.4
55.05515	10.0
56.96556	2.4
57.03423	4.3
57.07062	6.0
59.05007	10.1
65.03936	5.9
67.01859	2.7
67.05506	51.0
68.99779	2.5
69.03412	3.9
69.07068	34.6
69.96413	6.2
71.04997	15.3
73.06543	1.3
79.05497	26.0
80.05775	1.1
81.03420	3.3
81.07061	100.0
83.04990	8.3
83.08613	3.9
85.02873	1.4
85.06553	13.2
91.05484	27.2
93.03396	4.8
93.07050	17.7
95.04970	16.2
95.08614	50.9
97.06538	14.3
99.04466	4.0
105.07034	21.7
107.04952	3.5
107.08600	59.2
109.02868	5.3
109.06520	32.5
109.10153	20.9
111.04479	6.8
111.08100	7.1
113.06016	4.1
121.10158	5.2
123.04436	24.7
123.08073	22.2
123.11707	58.3
124.04655	4.9
125.05996	1.8
125.09632	11.3
126.03157	1.8
127.03918	7.3
127.07550	2.1
133.06491	1.9
133.10132	15.9
137.03596	1.6
141.05479	8.1
151.03911	37.9
151.07521	8.5
151.11201	18.7
169.04974	95.0
169.08749	9.3
169.09982	3.0
169.12253	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	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03942	2.4
55.01875	10.4
55.05517	13.1
56.96569	4.5
57.03432	5.4
57.07077	26.6
59.05005	13.9
65.03944	9.3
67.05509	58.5
69.03437	14.1
69.07071	21.5
69.46030	14.5
71.05006	13.2
79.05493	13.2
79.46127	1.7
80.80338	2.0
81.03422	7.3
81.06585	4.4
81.07059	82.9
83.04975	10.8
83.08624	4.5
85.02919	2.6
85.06551	26.1
87.04540	1.7
91.05498	11.3
93.03398	6.6
93.07050	21.4
95.04974	63.6
95.08617	31.6
97.06508	6.3
98.20784	4.3
99.04459	4.1
102.03341	2.4
105.07028	16.7
107.08596	20.0
108.92735	2.0
109.02886	13.4
109.06521	78.3
109.10162	96.9
111.00842	3.5
111.03829	1.7
111.04491	15.0
111.08084	41.7
113.06003	5.3
121.10142	6.2
123.04433	6.7
123.08070	22.1
123.11715	100.0
124.04605	5.0
125.06019	2.4
126.03123	6.6
127.03938	5.1
127.10320	2.6
127.11212	38.6
133.02818	2.0
133.05135	2.1
133.10149	15.6
139.03926	2.4
139.11166	5.4
141.05453	17.2
141.07018	3.7
148.31940	2.3
151.03920	9.8
151.07578	6.5
151.11194	44.2
152.03447	3.3
154.06259	6.7
157.59471	2.1
169.04968	24.7
169.06436	5.3
169.08629	9.8
169.10092	4.7
169.12282	30.8
170.08191	2.4
170.09697	2.9
171.58665	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	6-Oxocineole
Peak:m/z	Relative Intensity
53.03935	0.9
55.01878	4.2
55.05271	0.6
55.05514	11.4
56.96551	1.9
57.03431	1.1
57.07048	0.5
59.05001	2.1
65.03938	1.0
66.44714	0.4
67.05505	17.5
68.50244	0.4
69.07072	3.2
69.49963	3.0
71.01357	3.7
71.04996	6.3
73.66517	0.4
75.44697	0.4
79.05493	9.3
81.03414	1.8
81.07059	31.8
83.04982	2.1
83.08153	0.6
83.08622	8.2
85.02905	0.6
85.06538	1.4
91.05482	9.6
93.07044	4.4
95.04964	1.4
95.08598	3.6
97.06532	1.1
97.10141	0.7
99.04463	0.6
102.03364	1.0
105.07047	5.6
107.08593	5.6
109.02865	0.9
109.06523	2.2
109.10155	3.3
111.00803	0.9
111.03806	0.8
111.04449	1.2
111.08067	1.6
113.54115	0.6
123.04426	0.6
123.08083	0.6
123.11708	6.2
124.04658	2.2
126.03103	0.9
131.08540	0.5
133.10133	3.4
135.55461	0.8
141.05450	3.3
141.06992	4.0
146.04074	0.6
151.03963	0.8
151.11201	1.2
152.03429	1.1
154.07796	3.2
163.02835	0.5
169.05049	2.1
169.10170	7.5
169.12239	100.0
170.08150	0.6
170.12607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
55.05507	3.5
57.07075	5.3
59.04994	2.5
65.03928	3.4
67.05506	16.9
69.03434	5.2
69.07063	9.7
69.46916	12.3
69.58281	1.5
71.04997	33.0
73.94847	1.5
79.05489	4.1
81.03419	2.0
81.07064	27.1
85.06542	4.6
91.05500	7.0
93.07057	4.9
95.04968	14.7
95.08614	4.8
97.06499	3.0
98.20679	1.9
105.07049	4.9
107.04932	1.8
107.08606	14.9
109.02893	4.7
109.06524	100.0
109.10152	32.6
111.04458	2.3
111.08053	3.2
113.06047	2.2
119.06071	2.8
123.08057	2.7
123.11719	33.4
126.03139	2.6
133.10150	7.2
141.05447	3.6
151.11180	28.9
169.04988	2.4
169.07555	3.3
169.12256	7.8
180.15184	1.6
182.90448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
51.00380	1.6
53.68795	1.9
55.05508	1.7
56.96548	2.3
57.07077	2.3
59.05004	8.7
65.03939	3.3
66.45911	1.7
67.05176	2.8
67.05508	37.0
69.03439	2.7
69.07069	9.7
69.56734	9.0
69.57132	3.5
71.05005	2.6
79.05494	4.2
81.07066	31.1
83.47121	1.6
91.05462	4.6
93.07047	5.6
95.04974	33.4
95.08607	8.7
98.20751	2.1
105.07040	7.3
107.08623	11.1
109.02885	4.0
109.06530	46.3
109.10163	100.0
111.04428	2.5
111.08087	2.3
121.10172	1.8
123.08101	9.6
123.11720	28.3
133.10124	7.4
141.05505	3.8
142.86720	1.6
151.11200	31.0
169.05006	3.9
169.12206	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	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03929	3.9
55.01849	2.9
55.05515	15.6
56.96568	24.3
57.03423	6.1
57.07069	9.6
59.05001	17.3
65.03925	8.5
66.67276	2.3
67.05191	2.9
67.05511	38.7
68.99782	5.3
69.03418	9.1
69.06736	3.3
69.07076	53.4
69.07438	2.0
70.85462	6.5
71.05003	20.7
73.06544	3.7
79.05499	21.3
81.03420	13.2
81.07063	100.0
83.04969	9.1
85.02888	3.2
85.06528	11.1
91.05459	11.9
93.03396	5.7
93.07043	18.4
95.04966	18.7
95.08619	32.6
97.06544	17.7
97.99173	7.4
99.00272	2.7
99.04456	8.4
105.07025	16.4
107.08601	58.8
109.02889	29.3
109.05806	4.9
109.06528	91.8
109.09470	5.1
109.10162	70.3
111.00797	18.9
111.04449	12.3
111.07376	5.4
111.08088	66.6
113.06008	7.4
119.06052	3.1
119.44307	2.9
121.10139	7.4
123.04493	3.2
123.08082	23.7
123.11723	98.6
124.04676	4.1
125.06051	4.2
125.09655	13.9
126.03137	27.0
127.07548	4.8
133.10150	16.2
137.02341	9.0
138.10414	6.6
139.11195	9.3
141.04405	5.5
141.05481	89.4
141.07115	4.1
151.03899	5.1
151.07533	4.3
151.11191	75.9
169.04974	43.4
169.07573	8.3
169.12241	56.4
178.98630	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	169.1224
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.03940	8.6
55.01876	7.8
55.05513	14.7
56.96534	2.0
57.03434	6.8
57.07076	3.1
59.04993	2.1
65.03931	4.4
67.05505	28.6
68.99487	1.3
68.99793	13.8
69.03427	24.7
69.07069	11.7
69.52996	8.0
71.04994	23.1
78.57904	1.2
79.05484	16.4
81.03423	17.8
81.07059	65.2
83.04985	24.0
83.08620	3.4
85.02903	8.5
85.06541	7.0
91.05478	6.9
93.03404	2.4
93.07050	10.3
95.04980	13.8
95.08610	50.6
97.06513	5.0
99.04434	3.7
99.08080	2.2
105.07033	19.8
107.04948	10.7
107.08586	13.5
109.02881	100.0
109.06519	36.0
109.10156	29.0
111.00833	1.6
111.04462	4.6
111.08067	7.3
113.02363	1.8
113.06035	3.1
123.04438	3.2
123.07198	2.7
123.08078	44.0
123.11701	33.7
125.05995	3.1
125.09631	2.7
126.03146	2.9
127.03917	84.8
127.07540	1.2
131.03430	2.0
133.06480	6.3
133.10135	4.9
141.05452	5.6
151.03934	2.1
151.07544	38.8
151.11186	23.1
152.07100	1.4
169.05006	6.3
169.08617	73.9
169.12186	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	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.00320	0.9
53.03948	6.0
55.01876	5.7
55.05518	6.4
57.03425	2.9
57.07073	1.8
59.05000	0.8
65.03921	1.3
67.05507	18.3
68.99447	1.1
68.99797	17.5
69.03429	6.1
69.07076	5.8
69.66314	4.8
71.04993	7.3
79.05493	11.7
79.31657	0.9
81.03426	17.1
81.07060	27.9
83.04493	1.1
83.04984	17.4
83.08641	4.5
85.02883	1.8
85.06551	1.6
91.05468	3.5
93.07040	5.6
95.04979	7.8
95.08615	34.4
97.06528	2.8
99.04432	1.1
105.07043	14.8
107.04962	11.7
107.08585	4.5
108.82060	0.9
109.02888	100.0
109.06533	11.8
109.10158	12.4
111.08088	1.9
113.06047	1.1
121.06488	0.9
123.04439	2.0
123.08077	36.3
123.11709	12.6
125.09659	2.1
127.03926	97.9
133.06482	4.9
133.10150	1.5
141.05486	2.4
151.07555	35.0
151.11165	9.8
169.04977	2.3
169.08615	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	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03946	8.8
55.01869	5.8
55.05511	8.8
56.96558	1.2
57.03429	2.2
57.07056	1.1
59.04985	1.2
64.04469	1.0
65.03942	5.4
67.05176	1.6
67.05508	19.4
68.99796	15.0
69.03434	15.2
69.07060	5.0
71.04987	3.8
71.08852	2.0
79.05497	12.6
79.99959	0.8
81.03422	18.2
81.07060	39.9
83.04985	19.1
83.08642	4.6
85.02914	7.2
85.06519	1.5
87.44561	1.0
91.05474	4.0
93.03406	4.6
93.07049	7.8
95.04975	9.1
95.08609	32.6
97.06531	3.8
99.04478	1.1
99.08063	1.6
105.07030	15.5
107.04966	10.7
107.08611	6.8
109.02883	100.0
109.06522	20.5
109.10162	6.8
111.00815	1.9
111.04443	3.7
111.08071	11.1
123.04437	4.9
123.08075	34.5
123.11707	8.9
125.05981	3.3
125.09619	1.4
126.03134	3.4
127.03921	85.1
127.07506	1.2
131.03360	1.9
133.06453	4.9
133.10129	3.5
139.11176	1.1
141.05489	12.6
141.09128	1.3
151.03934	2.3
151.07555	36.6
151.11160	7.1
169.04964	7.4
169.08618	69.8
169.12286	3.6
185.83925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	480-66-0
Peak:m/z	Relative Intensity
53.03935	1.0
55.01874	1.5
55.05510	1.6
56.63172	0.4
56.96564	2.0
65.03941	1.6
67.01871	14.6
67.05516	6.0
68.99791	2.5
69.07075	2.1
69.48505	3.0
71.05001	2.3
71.08607	0.5
79.05500	1.7
81.03420	1.5
81.07059	7.7
83.05001	2.4
83.08607	0.5
85.02911	11.3
85.06547	1.9
86.03288	0.4
90.28022	0.4
91.05466	1.1
91.93663	0.5
93.02876	0.5
93.03419	1.2
93.07047	1.8
95.04985	4.4
95.08621	4.0
97.06564	0.9
99.04458	1.2
102.03356	0.6
105.07028	1.5
107.08601	3.1
109.02881	5.0
109.06524	2.9
109.10162	4.7
111.00819	1.0
111.04449	1.2
111.08088	3.2
112.46283	0.4
113.06007	0.7
123.04443	21.8
123.08064	2.1
123.11716	6.2
124.04665	1.7
125.06037	0.6
125.09625	0.6
126.03122	1.1
127.02993	0.9
127.03927	17.5
127.07539	0.5
129.01837	1.3
133.10138	1.6
141.05482	3.0
146.04100	0.5
151.03911	62.2
151.07460	2.6
151.11201	3.7
152.04291	0.8
169.04974	100.0
169.07512	3.6
169.08690	1.8
169.12273	2.0
170.05305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
53.03951	0.6
55.01850	0.7
55.05502	0.7
56.02714	0.5
56.80302	0.5
56.96564	0.9
65.03933	2.1
66.71307	0.5
67.01866	3.3
67.05506	4.1
68.99796	2.0
69.07054	1.7
70.53458	1.6
71.04994	1.8
79.05499	1.0
81.03406	1.0
81.06641	0.5
81.07065	3.1
83.04978	1.1
85.02905	1.3
85.06530	0.8
88.51926	0.5
91.05482	0.6
92.40336	0.5
93.03429	2.4
93.07047	2.0
95.04963	5.1
95.08595	2.0
99.04440	1.5
104.26491	0.5
105.07043	0.9
107.08593	1.7
109.02873	2.5
109.06516	1.6
109.10177	2.7
110.03658	0.8
111.00817	2.0
111.04468	3.4
111.08095	4.7
123.04431	26.4
123.08035	1.1
123.11705	1.6
124.04694	1.6
124.07547	0.6
125.05963	1.0
126.03130	2.4
127.03925	8.2
141.05466	7.0
141.09166	0.6
151.03915	44.8
151.11200	0.7
152.04195	0.6
169.04973	100.0
169.12231	1.5
170.05301	1.0
171.17470	0.5
177.66718	0.5
180.05591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
52.03146	1.2
53.03940	2.3
55.05513	12.9
56.96572	7.1
57.03427	3.8
57.07075	3.4
59.04997	2.2
59.58097	1.3
65.03922	2.4
67.05509	26.8
69.03443	2.2
69.07069	18.3
70.57363	4.0
71.04999	18.1
72.28843	1.2
73.06565	6.3
78.04704	7.3
79.05499	21.6
81.07066	35.8
83.04981	4.4
83.08630	9.7
85.06537	2.6
91.05480	13.9
93.07045	72.9
95.04967	3.2
95.08611	48.6
97.06547	11.6
97.10170	1.7
100.94952	1.4
103.00639	2.9
105.04491	1.7
105.07034	11.3
106.04183	3.2
107.04945	4.1
107.08598	100.0
109.06511	5.7
109.10161	61.3
109.10924	1.4
111.08087	17.5
112.10050	1.3
115.04169	1.9
119.08585	2.2
121.01680	3.7
121.06502	4.0
121.10152	69.3
123.04430	10.6
123.08046	3.3
123.11732	10.0
124.05270	2.4
125.06010	1.4
125.09635	1.7
130.13370	1.3
131.08595	1.8
139.07570	2.4
139.11203	3.3
144.03282	3.9
149.04953	3.2
149.09616	4.1
149.13258	35.5
150.25378	1.2
151.03955	1.9
152.04739	2.7
155.33955	1.1
167.07051	48.3
167.10658	8.0
167.14310	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03944	6.5
55.01885	2.0
55.05521	16.2
55.23238	2.0
56.96575	29.6
57.03440	5.6
57.07078	4.5
59.04992	5.0
65.03951	2.7
67.05178	3.6
67.05511	39.0
69.03426	6.0
69.07083	27.4
70.32480	7.3
71.04996	39.3
73.06566	14.6
75.04459	3.2
78.04720	10.5
79.05055	3.7
79.05494	31.4
81.03416	3.1
81.07061	41.8
83.04985	6.9
83.08641	10.5
84.96041	5.3
85.06525	4.4
91.05492	20.1
93.07053	82.7
95.05016	9.9
95.08619	87.4
96.05751	2.4
97.06553	11.7
97.99201	9.4
102.30676	2.1
103.00648	4.4
103.02328	2.1
105.03407	2.2
105.07019	7.4
106.00122	2.1
106.04193	5.7
107.04963	8.1
107.07880	3.4
107.08605	68.2
107.22143	2.2
109.06535	6.3
109.10165	27.4
111.04475	2.1
111.08109	13.8
115.04167	4.9
119.08611	2.6
121.01680	8.7
121.02906	2.5
121.06516	5.7
121.10154	59.8
123.04440	22.9
123.08075	8.3
123.11694	12.7
124.04575	3.4
124.05341	3.7
125.06000	3.7
125.09643	7.0
131.08577	5.2
133.05103	2.4
135.55455	2.2
139.02760	2.3
139.05202	2.3
139.07581	5.3
139.11218	4.2
144.03262	7.5
147.04358	2.6
149.02382	3.1
149.05006	4.7
149.06065	3.7
149.09630	12.0
149.13268	28.3
151.03932	3.9
152.04645	3.5
166.27538	2.2
167.03389	4.0
167.07071	100.0
167.08411	3.8
167.10612	12.6
167.14352	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01862	1.8
55.05515	15.8
56.96556	3.5
57.03426	3.4
57.07081	9.2
59.05010	3.9
65.03938	2.0
67.05510	20.2
68.73945	0.8
69.03421	1.6
69.07071	27.3
70.03752	1.9
70.04173	2.3
71.04984	3.5
78.04729	5.1
79.05067	1.5
79.05495	21.4
81.03437	1.0
81.07059	52.1
83.04974	3.7
83.08627	27.3
84.96032	1.2
85.06535	3.2
91.05487	18.3
93.07049	100.0
95.04980	4.1
95.08611	39.4
96.05737	1.2
97.06542	6.0
97.10161	3.0
98.21378	0.9
101.54587	0.7
103.00644	1.9
105.03398	2.1
105.04520	2.0
105.07038	7.5
106.04183	2.6
107.04954	3.6
107.08604	76.2
108.05782	0.9
109.06520	4.3
109.10164	23.2
111.04430	1.3
111.08103	8.6
119.06079	1.8
121.01687	6.1
121.02857	1.2
121.06528	4.5
121.10150	47.8
122.10540	0.9
123.04428	8.5
123.08071	1.0
123.11718	21.1
124.05221	3.8
125.06004	2.7
125.09636	2.3
131.08562	1.6
137.13260	3.3
139.02739	1.2
139.07556	2.2
139.11180	1.9
144.03249	6.0
149.02370	1.4
149.04933	1.3
149.06004	2.6
149.09645	5.6
149.13268	47.0
151.03903	2.0
152.04729	1.7
162.04301	1.1
167.03339	2.8
167.07053	51.4
167.10643	5.3
167.14325	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
54.12776	0.8
55.01865	2.0
55.05273	1.3
55.05513	15.6
56.96555	3.6
57.03432	4.6
57.07077	10.0
59.04986	3.2
65.03940	1.5
67.05170	1.3
67.05508	17.2
68.85036	0.7
69.03419	2.5
69.07072	28.0
69.84158	1.7
69.84569	3.4
71.04984	5.0
71.08604	0.9
73.06594	0.8
77.03917	1.0
78.04720	6.7
79.05496	20.4
81.07060	52.2
83.04977	4.0
83.08623	28.2
84.96026	1.5
85.06540	3.3
91.05486	16.1
93.07049	100.0
95.04970	4.2
95.08610	40.2
97.06543	6.8
97.10175	3.7
103.00630	2.7
105.03397	2.8
105.04512	1.3
105.07036	8.4
106.04194	1.8
107.04964	2.8
107.08598	78.7
107.84362	0.8
109.06530	4.0
109.10160	26.1
111.04431	2.0
111.08096	9.5
119.06100	1.4
121.01663	6.6
121.02916	1.5
121.05710	0.9
121.06455	3.9
121.10149	49.1
122.10475	1.2
123.04440	9.5
123.08060	2.0
123.11711	20.9
124.05293	4.0
125.06009	2.3
125.09632	2.8
131.08586	2.2
137.05864	0.8
137.13245	2.5
139.07539	2.8
139.11191	2.1
144.03227	5.0
149.02394	1.9
149.04979	1.7
149.06021	3.0
149.09639	5.2
149.13268	42.2
151.03932	2.6
152.04698	2.6
162.04306	1.3
167.03362	2.5
167.07054	47.1
167.10680	6.0
167.14322	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73974	0.9
53.03951	5.3
55.01864	4.4
55.05516	42.5
56.96552	2.1
57.03428	3.3
57.07069	4.5
59.05007	9.0
65.03937	1.7
67.05507	15.7
69.03437	14.4
69.07075	17.7
69.82117	1.7
69.82516	4.9
71.04995	4.8
71.08632	1.0
76.61256	1.0
78.04720	12.4
79.05496	30.1
81.03431	1.4
81.07062	32.9
83.01325	1.1
83.04488	2.3
83.04988	42.3
83.08160	1.2
83.08629	19.5
84.96056	1.4
85.02950	1.1
85.06554	6.6
91.05487	16.8
93.07050	50.0
94.04162	1.3
95.04967	7.5
95.08606	15.1
97.02905	2.4
97.06540	8.3
97.10175	5.7
99.08092	1.5
103.00645	4.9
103.05463	2.6
105.04456	1.4
105.07032	15.5
106.04169	4.3
107.04955	15.1
107.08604	37.1
108.68691	0.9
109.06520	28.2
109.10145	11.2
111.04445	6.1
111.08088	14.6
111.11696	2.0
112.08854	2.9
114.10233	1.0
116.06221	1.7
119.05004	1.4
119.08569	2.5
119.09381	1.0
120.02094	1.0
121.01678	12.1
121.06519	18.8
121.08398	2.0
121.10155	65.7
123.04444	17.3
123.08086	6.7
123.11720	10.8
124.05202	7.1
125.06007	8.7
125.09632	12.5
131.08563	8.4
133.07700	1.6
135.04422	1.4
137.05994	1.7
137.09599	2.8
139.02779	2.2
139.03853	2.0
139.07571	6.0
139.11200	12.3
141.25485	1.1
144.03217	9.1
149.02385	3.0
149.06006	7.7
149.09637	25.6
149.13263	4.5
151.03888	2.9
152.04692	4.3
162.04318	2.8
167.03421	3.4
167.07053	100.0
167.10684	27.7
167.14304	24.4
167.15608	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.05513	22.7
55.78701	1.8
56.96568	24.2
57.03428	2.2
57.07061	3.1
59.05019	3.7
67.05510	38.6
69.03442	3.8
69.07075	26.6
70.64435	3.9
71.04996	38.8
73.06557	16.0
78.04705	3.3
79.05499	23.2
81.03426	2.6
81.07062	53.8
83.04997	4.0
83.08625	9.8
84.96039	2.7
85.06543	4.3
91.05484	14.5
93.07048	75.4
94.01839	2.3
95.04961	4.1
95.08613	100.0
97.06521	9.7
97.99186	7.1
101.31296	1.8
101.93777	1.6
103.00629	2.4
105.04621	1.5
105.07024	9.3
105.19752	1.6
106.04210	2.7
107.04990	3.1
107.08606	62.1
109.06501	4.5
109.10159	39.3
111.08102	9.3
115.04153	4.6
119.08598	2.6
121.01653	7.3
121.06520	6.2
121.10149	57.3
123.04437	7.0
123.11707	16.7
124.04652	4.9
125.05984	2.3
125.09634	5.5
131.08594	3.3
134.55153	1.6
135.55444	5.1
139.07549	3.5
139.11179	3.2
144.03261	6.1
149.04935	2.7
149.06015	3.9
149.09627	7.4
149.13254	44.1
159.87227	1.7
167.03404	2.9
167.07066	41.9
167.10715	7.7
167.14334	15.2
175.02902	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03952	4.0
54.61702	0.7
55.01855	2.7
55.05510	54.2
57.03416	2.7
57.07059	2.2
59.05004	7.0
65.03924	1.5
67.05183	0.8
67.05505	11.2
69.03082	0.9
69.03429	13.7
69.07062	7.7
69.18389	7.1
71.04969	2.1
78.04711	11.4
79.05067	1.0
79.05492	12.7
81.03395	1.2
81.07055	12.5
83.04980	50.8
83.08616	25.1
84.96014	1.1
85.06548	6.1
91.05482	7.3
93.03396	0.9
93.07035	13.9
95.04961	4.6
95.08595	6.9
96.05807	0.7
97.02877	1.2
97.06531	4.0
97.10171	8.0
99.04488	0.6
99.08057	1.2
101.72103	0.8
103.00600	1.5
103.05440	0.9
105.03384	1.3
105.04475	0.8
105.07011	4.4
106.04184	6.0
107.04970	6.0
107.08589	21.4
108.05709	0.9
109.02869	1.6
109.06548	4.2
109.10151	14.1
111.04427	1.5
111.08078	18.8
112.08872	4.9
113.09637	3.1
119.08573	0.8
121.01643	4.2
121.02911	1.4
121.06503	3.2
121.10142	16.2
122.03626	1.6
123.04423	19.8
123.05327	1.1
123.08045	2.4
123.11697	6.6
124.05219	6.1
125.05992	1.9
125.09623	11.1
131.08571	2.2
135.04439	1.2
137.05980	0.9
139.07510	2.3
139.11198	3.0
144.03215	4.3
149.02344	2.7
149.05971	1.8
149.09642	5.5
149.13275	4.0
151.03922	4.4
152.04686	4.4
167.03389	2.8
167.07030	100.0
167.10612	5.0
167.14305	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02383	0.6
53.03942	2.9
55.01865	0.8
55.05514	5.7
56.96556	1.7
57.03431	2.4
57.07063	1.9
59.05017	1.1
65.03945	0.8
67.05503	7.5
69.03429	2.4
69.07066	6.6
71.00871	1.6
71.04990	7.1
73.06567	3.3
75.04485	6.4
77.03918	0.9
78.04707	3.6
79.05491	15.6
81.03429	1.2
81.07057	20.3
83.04977	2.9
83.08622	1.9
84.96046	1.7
85.06525	0.8
85.07310	0.7
87.04500	0.9
91.05483	12.3
93.07044	100.0
94.07370	1.2
95.04956	3.6
95.08607	23.4
97.06532	4.3
97.10175	0.9
103.00625	2.4
103.05472	0.6
105.03360	1.1
105.07028	10.2
106.04163	1.2
106.07812	0.6
107.04964	2.8
107.08595	17.5
109.06497	3.1
109.10155	5.0
111.04440	1.6
111.08085	19.5
119.08580	1.8
121.01664	3.2
121.06517	2.0
121.08396	2.6
121.10143	78.0
122.10458	0.8
123.04427	5.4
123.08049	2.5
123.11713	7.6
124.05219	3.1
125.05985	2.8
125.09615	1.8
131.08601	3.5
133.07603	1.0
139.07568	2.3
139.11211	4.8
144.03183	3.9
149.05978	1.4
149.09599	12.2
149.13264	8.6
151.03946	1.6
152.04716	1.8
162.04242	0.6
167.03496	1.0
167.07045	23.9
167.08365	0.8
167.10684	14.5
167.14346	4.1
171.99960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03955	6.3
55.01880	8.4
55.05510	8.7
55.32048	1.0
56.96553	1.5
57.03418	3.5
57.07080	1.5
59.04983	2.4
65.03937	3.5
67.05173	1.7
67.05504	14.9
69.03117	1.3
69.03432	11.9
69.07067	7.5
69.81855	7.0
71.04977	3.8
75.04460	2.2
78.04716	8.0
78.05075	1.6
79.05493	49.7
81.03417	2.4
81.07060	18.4
83.04982	12.4
83.08614	1.6
84.96048	1.3
85.02908	2.6
85.06543	3.3
91.05486	32.9
93.07046	81.2
94.04180	1.4
95.04977	14.9
95.08600	9.7
96.05676	1.6
97.06548	12.3
103.00625	4.2
105.04505	2.9
105.07043	30.3
106.04177	4.1
107.04954	25.0
107.08596	75.5
108.08955	1.4
109.02855	2.3
109.06529	27.3
109.10151	5.8
110.77820	1.4
111.04449	13.0
111.08094	11.0
116.06241	1.5
119.06114	2.4
119.08586	5.2
121.01657	13.2
121.06512	38.1
121.10148	66.5
122.03656	1.5
122.09639	2.5
123.04410	17.2
123.08069	8.6
123.11672	2.7
124.05226	7.2
125.05193	1.1
125.05963	8.1
125.09643	10.1
129.06949	1.9
131.08585	23.4
133.06650	1.5
135.04408	4.8
135.44218	1.3
137.06015	1.2
137.09590	11.2
139.02782	2.5
139.03900	14.6
139.07562	7.8
139.11159	5.7
144.03249	13.5
149.02330	3.5
149.04987	5.5
149.06010	2.7
149.09625	100.0
149.13211	2.7
151.03943	2.5
152.04698	3.0
162.04358	3.0
167.03351	4.0
167.07051	77.0
167.10684	39.0
167.14282	2.8
168.07477	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	167.1069
Annotation	(-)-Isochaminic acid
Peak:m/z	Relative Intensity
53.03935	3.3
55.01868	3.5
55.05513	10.2
57.03418	1.5
59.04992	4.9
65.03918	1.5
67.05506	6.6
69.03420	4.2
69.07073	92.8
70.29870	4.5
71.04996	1.5
77.03928	2.1
79.05500	23.6
81.07054	13.2
83.04971	4.9
83.08616	3.0
85.34046	1.3
91.05488	20.1
93.07047	82.8
95.04964	3.6
95.08596	16.6
97.06546	7.8
97.10178	1.8
97.36353	1.3
99.04449	5.9
103.00621	1.9
103.05450	3.3
105.04535	2.2
105.07043	20.4
107.04965	5.7
107.08573	8.9
109.06530	10.4
109.08269	1.2
111.04462	3.2
111.08134	1.6
111.11747	9.7
119.08550	4.6
121.06511	65.4
121.10149	100.0
123.04445	2.6
123.08060	11.5
123.11726	1.3
125.05987	5.5
125.09628	3.5
131.08586	4.8
133.07602	2.6
139.07571	2.4
139.11183	8.5
149.06056	2.8
149.09622	29.5
167.07051	13.4
167.10687	54.6
167.14392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03947	5.0
55.01862	2.4
55.05515	6.6
56.96570	5.7
57.03432	3.9
57.07073	2.1
59.04985	2.5
65.03931	1.0
67.05499	11.2
69.03405	2.9
69.07069	9.2
69.48735	5.9
71.04990	2.5
73.06532	1.1
75.04478	4.7
76.94545	0.9
77.03887	0.9
78.04723	4.5
79.05067	1.4
79.05492	17.7
80.43871	0.8
80.48956	0.7
81.03435	0.9
81.07056	22.4
83.04974	5.1
83.08629	6.4
84.96011	1.9
85.06514	1.3
91.05483	15.6
93.07047	100.0
95.04971	4.5
95.08610	15.7
97.02901	1.2
97.06522	5.1
97.10151	1.0
102.02202	0.9
103.00669	1.1
103.05459	1.6
103.51105	0.9
105.03370	2.0
105.04510	1.7
105.07036	12.4
106.04156	3.0
107.04948	5.7
107.08596	28.1
109.06491	4.5
109.10158	10.7
111.04425	1.8
111.07377	1.4
111.08088	19.6
119.08601	2.0
121.01673	5.6
121.02867	1.0
121.06490	5.0
121.10146	82.5
122.03609	0.9
123.04426	11.2
123.08060	3.0
123.11709	8.4
124.05309	4.4
124.12041	0.8
125.05960	2.6
125.09592	1.7
126.54922	0.9
131.08557	4.2
133.07599	2.0
139.02731	1.2
139.03839	0.8
139.07573	4.4
139.11176	7.7
144.03246	6.5
149.02362	4.0
149.04926	2.6
149.06015	2.1
149.09633	13.0
149.13278	10.5
151.03914	2.7
152.04668	2.6
162.04361	1.4
164.38333	0.8
167.03384	3.6
167.07042	53.2
167.10693	12.8
167.13092	1.2
167.14282	7.6
182.81267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.67852	1.0
53.03935	5.0
55.01869	8.2
55.05267	1.7
55.05510	20.9
56.96556	1.4
57.03426	3.7
59.04977	3.0
65.03923	4.4
67.05507	13.3
68.99792	1.7
69.03433	10.5
69.07066	12.3
70.08194	2.2
70.08597	3.6
71.04986	5.1
73.02943	1.3
77.03893	1.4
78.04694	4.4
79.05492	51.7
80.94424	1.1
81.03414	2.6
81.07050	23.6
83.04982	30.2
83.08611	2.9
84.96018	2.4
85.02901	2.2
85.06531	3.0
91.05475	32.2
93.03408	1.3
93.07045	52.3
93.07635	2.5
94.07384	1.1
95.04965	42.0
95.08611	16.5
97.02866	2.2
97.06533	9.8
97.54140	1.0
99.04452	3.3
103.00623	4.6
103.03945	1.3
103.05455	2.9
105.04527	1.4
105.07027	23.3
106.04176	3.6
107.04958	10.0
107.08593	100.0
109.06513	42.3
109.10142	2.9
111.04433	11.8
111.08083	3.8
116.06220	2.4
119.06053	2.6
119.08567	3.3
121.01675	13.9
121.02898	5.7
121.06502	28.5
121.10143	49.9
123.04470	7.8
123.08063	37.1
123.11717	2.3
124.05200	4.4
125.05976	7.0
125.09628	8.7
125.29092	1.1
126.05494	1.1
129.06987	2.3
131.08563	13.8
135.04324	1.3
137.09605	4.6
139.02707	3.6
139.03880	5.8
139.07542	6.9
139.11192	7.4
144.03232	11.4
149.02368	10.2
149.05965	3.9
149.09625	48.7
151.03969	2.1
152.04651	1.5
162.04330	2.2
167.03412	16.0
167.07043	49.1
167.10675	36.3
167.14320	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
53.03952	0.6
55.01880	1.6
55.05514	2.1
56.96568	0.4
57.03422	0.3
59.05003	1.2
65.03937	1.7
65.90867	0.3
67.05511	0.9
68.99796	0.4
69.03436	0.8
69.07069	0.5
69.95892	1.4
71.04994	0.4
73.02920	11.3
77.03951	0.3
78.04726	1.6
79.05491	2.8
81.07043	1.4
83.04984	2.1
83.08624	0.9
91.05480	1.9
93.03393	0.5
93.07056	3.0
94.04124	0.4
95.04970	3.8
95.08606	0.4
97.02865	0.4
97.06554	0.9
97.10151	0.2
98.20848	0.5
103.00646	1.1
103.05466	0.8
105.03406	0.4
105.07043	1.0
106.04217	0.5
106.76359	0.3
107.04948	1.2
107.08585	2.1
109.06523	1.2
111.04417	1.9
111.08095	0.5
114.01503	0.4
119.04953	3.0
121.02868	100.0
121.06494	4.9
121.10146	3.1
122.03190	0.8
123.02051	1.2
123.04437	2.5
123.08073	0.7
123.11678	0.4
124.05185	0.8
125.04993	0.4
125.06026	0.7
125.09636	1.0
131.08562	0.3
132.02577	0.4
139.03905	0.7
139.07524	1.0
139.11179	1.1
143.58730	0.3
144.03235	1.9
149.02327	0.7
149.05983	26.5
149.09561	1.2
149.84296	0.3
151.03906	0.4
152.04701	0.6
162.04279	0.3
167.03461	1.4
167.07040	19.6
167.10649	1.6
167.14294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	Piquerol A
Peak:m/z	Relative Intensity
53.03945	2.4
55.01880	9.9
55.05510	4.9
55.69536	0.6
57.03416	1.1
58.85740	0.7
65.03934	2.0
67.05177	1.0
67.05506	10.9
69.03426	2.2
69.07063	2.7
71.03997	1.4
71.04336	0.8
71.04991	2.0
77.03936	1.0
78.04715	3.7
79.05497	59.8
81.07059	7.8
83.04987	4.9
83.08608	1.1
91.05486	27.2
93.03405	1.4
93.07048	51.0
95.04974	6.5
95.08602	3.3
96.05776	0.7
97.06535	9.0
102.59116	0.7
103.00693	0.8
103.05498	1.8
105.04548	1.1
105.07037	52.8
106.04183	1.4
107.04958	8.7
107.08601	98.5
108.08912	1.6
109.06515	5.1
109.10162	1.3
111.04467	1.7
111.08057	1.1
116.06223	1.3
118.02892	0.7
119.06075	1.9
119.08585	6.2
121.01693	1.8
121.02874	2.9
121.06510	15.8
121.10153	37.2
123.04430	5.4
123.08079	4.3
123.11673	0.7
124.05219	2.2
125.05984	2.5
125.09633	1.6
129.07019	2.1
131.08574	44.9
132.08932	1.0
133.06514	0.8
134.03618	0.8
134.07254	1.3
137.09633	16.6
139.07555	2.0
139.11185	1.8
144.03287	1.4
147.08029	0.9
149.02350	2.1
149.09628	100.0
150.09956	1.2
151.03975	0.9
152.04704	1.8
167.03389	7.9
167.07059	34.3
167.10686	44.7
167.14307	1.2
168.11038	0.9
169.15660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	2.0
53.78675	0.5
55.01870	0.8
55.05510	2.7
56.96564	3.4
57.03439	3.0
59.05024	0.6
63.29768	0.3
65.03938	0.7
67.05509	2.7
69.03436	1.4
69.07059	1.8
71.05002	0.9
71.54752	0.6
75.04482	8.7
77.03942	0.8
78.04712	4.0
79.05493	10.5
81.03435	0.7
81.07054	9.0
83.04979	1.7
83.08621	0.8
84.96029	3.8
84.99612	0.5
85.02917	0.4
87.04473	0.5
91.05485	10.8
91.18907	0.4
92.26773	0.5
93.03409	0.5
93.07046	100.0
94.04183	0.5
94.07397	0.6
95.04984	3.0
95.08609	4.9
97.02867	0.5
97.06539	2.6
102.02254	0.5
102.97059	0.7
103.00642	3.6
103.05466	0.7
105.03400	0.6
105.04540	0.9
105.07033	8.2
106.04181	2.0
107.04966	2.2
107.08601	5.6
109.02840	0.5
109.06521	1.4
109.10143	0.5
111.04479	1.1
111.08087	19.9
114.92190	0.4
119.08559	1.2
119.97342	0.7
121.01677	9.4
121.06506	1.8
121.10146	64.4
122.03644	0.5
122.10482	0.7
123.04452	8.2
123.08089	1.2
123.11695	1.6
124.05263	3.1
125.05991	3.0
125.09608	0.7
126.02137	0.7
127.03915	0.4
128.97847	1.5
131.08560	1.8
131.48134	0.5
133.07596	0.7
135.09151	0.4
137.05949	0.4
137.98338	0.6
139.02693	3.0
139.07574	3.4
139.11179	3.3
140.48701	0.6
143.03624	0.5
143.99617	0.4
144.03221	9.3
149.02339	3.6
149.04977	1.1
149.06055	0.8
149.09615	8.2
149.13239	0.9
151.03917	1.9
152.04680	2.1
162.04198	1.9
167.03365	1.3
167.04829	1.3
167.07037	38.6
167.10669	10.0
167.14209	0.5
167.15451	0.5
168.07542	0.6
168.10260	0.4
172.75270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.13818	0.3
53.03942	0.7
55.01870	0.3
55.05510	0.3
56.96563	0.8
60.79909	0.3
65.03934	0.4
66.04709	0.7
66.33988	0.3
67.05508	0.3
69.07076	0.5
69.15790	0.3
69.69889	2.0
71.04964	0.3
72.48346	0.3
77.03910	0.4
78.04276	0.6
78.04716	11.6
79.05070	0.3
79.05501	3.8
81.03391	0.5
81.07055	0.9
84.96046	0.4
91.05479	0.9
92.02623	0.3
93.03407	0.6
93.07040	1.0
94.04242	0.5
95.04954	1.6
96.05745	0.8
97.06545	0.4
98.97551	0.3
103.00618	2.2
105.03398	0.9
106.04169	5.1
107.04954	1.4
107.08607	0.4
107.65392	0.3
109.02882	0.8
109.06560	0.6
111.04440	0.4
120.01944	0.3
121.01672	3.4
121.02523	0.4
121.02923	0.7
121.06519	1.3
121.10117	0.7
122.03626	1.2
123.04438	20.8
124.05235	4.9
125.05998	0.5
126.02229	0.6
134.03651	1.0
135.04436	1.0
137.06000	1.0
139.02689	0.7
139.03960	0.3
139.07533	1.1
144.03249	3.8
149.02283	0.6
149.05981	0.6
150.03136	0.4
151.03902	3.9
152.04666	4.0
162.04330	0.9
165.05571	0.4
167.07047	100.0
167.42157	0.3
167.70514	0.3
168.04274	0.3
168.07387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
53.03944	0.4
55.01878	1.1
55.05510	2.2
56.96559	0.6
59.05004	1.1
61.80967	0.2
64.25477	0.2
65.03938	1.6
67.05510	0.9
67.92484	0.2
68.99780	0.3
69.03424	1.2
69.07077	0.8
70.93064	0.5
71.04999	0.4
73.02919	10.7
78.04723	1.4
79.05496	3.1
79.05923	0.4
81.07059	1.8
83.04987	2.7
83.08634	1.0
84.96045	0.4
85.06534	0.4
91.05478	1.8
93.03414	0.5
93.07050	3.8
95.04979	4.1
95.08636	0.8
97.06528	1.2
97.10175	0.4
102.14108	0.2
103.00661	1.3
103.05457	0.8
105.03387	0.5
105.07033	1.0
106.03716	0.8
106.04282	0.3
107.04952	1.0
107.08590	2.8
109.06522	1.4
109.10152	0.7
111.04455	1.7
111.08102	0.7
112.08832	0.2
119.04951	3.0
121.02872	100.0
121.06493	5.5
121.10147	3.0
122.03181	0.7
123.02045	0.4
123.04425	3.2
123.08061	0.7
123.11723	0.7
124.05202	1.0
125.04886	0.5
125.05972	0.6
125.09634	1.2
131.08565	0.4
132.02689	0.3
139.02708	0.4
139.03796	0.6
139.07545	0.8
139.11189	1.3
144.03236	1.9
149.02356	0.9
149.05986	28.0
149.09555	1.2
150.06310	0.5
151.03903	0.3
152.04691	0.5
162.04317	0.3
167.03375	1.0
167.07037	19.2
167.10698	1.2
167.14285	1.1
168.10297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.95956	0.7
53.03941	2.4
55.01869	1.8
55.05511	5.5
56.96551	1.7
57.03439	4.6
61.02920	3.3
63.92933	0.9
65.03940	1.7
67.05505	13.2
69.03085	1.4
69.03434	18.2
69.07069	1.8
71.04990	2.7
71.54769	1.1
73.02921	1.2
79.05500	11.5
81.03422	8.1
81.07062	32.1
82.99846	1.4
83.01510	1.2
83.04986	7.3
83.08611	1.2
85.02906	7.3
91.05486	27.9
93.07052	7.2
95.04973	8.6
95.08606	12.6
97.06517	1.7
99.04449	3.6
100.02474	2.3
101.00893	21.5
101.02575	2.2
103.03950	1.0
103.05479	1.7
104.35938	0.8
105.03382	3.2
105.07043	15.1
107.02592	0.9
107.04963	2.1
107.08598	20.5
108.04498	1.9
109.06522	13.3
109.10155	8.4
111.04456	2.5
116.03089	0.9
117.07057	1.1
118.03514	1.2
119.01929	50.3
119.04947	46.3
119.08582	17.4
120.02019	1.0
120.08152	1.8
121.04137	3.1
121.06549	1.0
121.10167	5.5
123.04443	4.3
123.08073	30.8
123.08962	1.5
123.11686	2.9
124.02438	4.1
127.07566	9.8
129.05490	1.7
129.06989	1.0
130.04613	1.0
132.54903	1.5
133.02852	3.8
137.02977	11.7
137.05988	5.0
137.09619	7.8
137.13182	1.0
142.03513	43.3
147.04417	100.0
147.06372	2.3
147.08058	6.5
147.11681	19.3
148.04692	1.2
160.04561	11.3
165.01837	1.7
165.05507	8.6
165.07532	3.7
165.09088	17.8
165.12762	41.5
166.08636	0.9
166.12233	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	165.0549
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03941	0.8
55.01881	0.4
55.05502	1.5
56.96567	0.4
57.03439	1.6
59.04992	0.4
61.02917	1.1
65.03931	1.3
67.05509	3.0
69.03431	5.2
69.07061	0.6
69.88227	0.3
71.04980	1.3
71.54660	0.4
73.02936	0.5
77.03922	0.4
79.05502	2.3
81.03446	2.0
81.07058	2.7
82.99848	1.2
83.04987	1.8
85.02914	1.7
90.27335	0.3
91.05483	21.5
93.07055	2.9
95.01280	0.4
95.04979	3.2
95.08593	2.4
97.06467	0.4
98.97573	0.4
99.04446	0.7
99.28633	0.4
100.02516	0.7
101.00880	8.7
101.01501	0.6
101.02567	0.4
103.05409	0.5
105.03349	0.5
105.07037	4.1
107.04938	0.7
107.08579	2.1
109.02874	1.0
109.06522	1.6
109.10149	2.0
111.04449	0.4
117.06995	0.6
119.01044	0.7
119.01923	19.0
119.04944	40.4
119.08578	6.4
120.05294	0.6
121.02274	0.4
121.06533	0.7
121.10154	1.5
122.07284	0.5
123.04424	2.3
123.08073	2.9
123.11678	0.7
124.02456	2.3
129.05463	0.8
133.02852	2.9
133.03769	0.4
136.96416	0.4
137.02977	3.8
137.06020	2.1
137.09612	1.9
137.95541	0.3
142.03505	17.9
147.04413	100.0
147.08041	2.9
147.11702	2.0
148.04794	0.9
156.78581	0.4
160.04575	3.4
165.04404	0.3
165.05496	4.2
165.06837	0.6
165.07610	0.5
165.09106	8.2
165.12779	3.3
170.28275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01874	0.4
55.05499	0.9
57.03437	0.6
65.03941	0.9
67.05512	1.8
67.13704	0.2
69.03425	2.0
69.07078	0.4
70.32970	0.8
77.55602	0.2
77.63571	0.2
79.05479	1.0
81.03415	1.6
81.07058	2.8
82.99856	0.4
83.04987	0.9
85.02907	0.5
91.05483	19.9
93.07044	1.0
95.04979	2.3
95.08611	3.1
101.00877	3.2
101.02578	0.2
103.05466	0.4
105.03374	0.4
105.07037	1.9
107.08577	1.9
109.06513	1.0
109.10146	2.2
111.04453	0.4
115.96478	0.2
116.73856	0.2
119.01936	5.0
119.04944	42.8
119.08574	2.2
120.05268	0.4
121.09361	0.3
121.10172	1.1
123.04443	2.4
123.08062	2.8
123.11744	1.1
124.02448	0.6
137.02963	0.6
137.09621	2.5
137.13257	0.4
142.03513	4.5
147.04413	100.0
147.11691	1.6
148.04764	0.9
160.04565	1.1
163.85660	0.3
164.42555	0.2
165.05499	2.4
165.07683	0.2
165.09096	4.6
165.11595	0.3
165.12807	3.5
165.16330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03952	1.2
55.01893	0.6
55.05526	1.3
57.03445	1.0
58.59229	0.4
61.02930	0.7
65.03961	1.1
67.05506	9.4
69.03436	3.2
69.79217	2.0
71.05008	1.3
75.20660	0.4
77.03926	0.6
79.05497	3.9
81.03427	1.1
81.07056	4.7
82.99854	0.6
83.04981	2.1
85.02935	1.1
91.05480	25.1
93.07047	2.9
95.04973	2.9
95.08602	2.4
98.20856	0.6
99.04429	0.6
101.00888	7.8
101.02602	0.7
103.05479	1.2
104.06297	0.9
105.03387	1.4
105.04516	0.5
105.07030	5.0
107.04955	1.6
107.08587	2.4
109.06513	1.8
109.10152	8.8
109.10835	0.6
111.04420	0.4
115.05447	0.5
117.07013	2.4
119.01242	0.3
119.01921	14.5
119.04939	25.6
119.08576	16.8
121.06513	1.4
121.10148	1.1
122.03690	0.5
122.07287	6.1
123.04425	1.9
123.08075	2.5
124.02485	1.7
133.02861	7.1
137.02954	2.7
137.05974	4.4
137.09618	27.2
142.03496	12.8
142.44069	0.3
147.04410	56.2
147.08014	3.5
147.11667	2.0
147.47235	0.4
148.04796	0.4
160.04559	2.4
165.05489	5.3
165.09109	100.0
165.12711	2.3
166.09471	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03957	1.0
53.86789	0.4
55.01883	3.0
55.05508	0.8
57.03446	0.9
61.02925	0.6
65.00892	0.4
65.03960	1.6
67.05513	1.4
69.03434	2.8
69.70414	2.5
79.05498	11.5
81.03445	2.7
81.07069	3.4
82.99860	0.8
83.04975	1.1
85.02909	1.1
91.05484	12.0
93.03396	0.6
93.07049	1.1
94.04182	1.4
95.04984	4.0
95.08631	1.6
98.21592	0.4
99.04423	0.5
101.00881	4.6
101.02581	0.7
103.05462	6.7
105.03384	0.6
105.07040	73.9
106.07362	0.7
107.04963	1.4
107.08581	1.8
109.02888	23.6
109.06539	4.7
109.10177	1.1
111.04439	1.2
115.05488	1.1
119.01936	6.8
119.04958	19.8
119.08620	2.8
120.08142	0.5
121.09313	0.4
121.10139	0.5
122.03669	3.2
123.04475	1.1
123.08066	0.8
123.09978	0.5
124.05219	100.0
125.05529	0.9
131.04941	0.6
133.02898	0.6
133.06502	34.6
134.62854	0.4
137.05988	64.6
137.09625	1.7
138.06389	0.5
142.03511	7.1
147.04422	48.3
147.11713	1.3
148.04739	0.5
150.06790	1.2
160.04568	1.3
165.05472	1.6
165.07687	0.7
165.09125	15.1
165.12787	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45184	0.3
51.99327	0.2
55.01882	0.3
55.05510	0.6
57.03428	0.4
65.03937	0.9
67.05492	0.6
69.03432	1.6
69.52014	0.6
69.52425	1.0
71.05006	0.3
79.05478	1.0
81.03413	0.4
81.07059	1.3
82.99835	0.3
83.04980	0.6
85.02877	0.6
86.33966	0.2
91.05482	19.5
93.07048	0.5
95.04962	1.9
95.08610	0.6
99.04454	0.3
101.00881	3.0
105.07003	1.4
107.04955	0.6
107.08553	0.7
109.06488	0.8
109.10098	0.5
119.01936	5.0
119.04942	40.9
119.08580	1.0
120.05229	0.6
121.10146	0.5
123.04451	1.5
123.08106	0.3
124.02508	0.6
124.05224	1.6
125.06066	0.4
125.44200	0.2
137.02940	0.5
137.05981	6.8
137.09578	0.6
142.03506	5.2
147.04408	100.0
147.11693	0.7
148.04750	1.1
160.03072	0.2
160.04555	1.0
165.05472	2.0
165.07703	0.5
165.09094	3.2
165.12759	1.1
179.02669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03939	0.3
57.03453	0.4
65.03944	0.8
69.03429	1.1
69.66827	1.3
81.03427	0.4
81.07061	0.4
82.99850	0.3
85.02914	0.5
91.05482	19.1
93.07034	0.4
95.04974	1.6
98.20788	0.2
101.00889	2.8
105.07020	0.3
107.08568	0.5
109.06565	0.3
109.10101	0.3
119.01946	4.2
119.04944	42.4
120.05302	0.3
121.06537	0.3
121.10159	0.3
123.04440	1.8
124.02434	0.5
133.02873	0.3
137.02948	0.6
137.09637	0.6
141.93581	0.2
142.03511	4.5
147.04411	100.0
148.04733	0.9
160.04605	0.7
165.05513	2.1
165.07817	0.3
165.09081	1.2
165.12811	1.0
167.51820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.73977	0.3
55.05514	0.4
56.96567	0.3
57.03436	0.6
61.02927	0.3
65.03954	1.0
67.05504	1.1
68.70284	0.2
69.03430	1.9
69.07073	0.4
69.53540	0.9
69.53970	0.8
71.05013	0.3
73.29200	0.3
79.05502	0.7
81.03421	0.6
81.07069	1.8
82.99853	0.5
83.04985	0.9
85.02911	1.0
87.04511	0.3
91.05487	20.4
93.07056	0.9
95.04977	1.9
95.08603	0.6
100.02499	0.3
101.00882	4.1
101.02577	0.6
103.03953	0.3
105.07031	0.9
107.08604	0.9
109.06544	0.6
109.10171	1.4
111.04418	0.3
119.01933	7.5
119.04951	42.6
119.08569	1.4
120.05280	0.6
121.10174	0.6
123.04446	1.8
123.08077	0.6
123.11749	0.4
124.02469	1.0
129.05556	0.3
133.02878	0.9
136.98917	0.2
137.02992	1.2
137.05984	0.9
137.09592	1.3
142.03505	8.4
142.04622	0.4
147.04417	100.0
147.11703	0.9
148.04800	1.2
160.04550	1.6
165.05470	2.8
165.07703	0.4
165.09116	1.8
165.12801	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01862	2.2
55.05512	11.5
56.96555	1.2
57.03431	1.8
57.07079	7.1
57.10139	0.5
59.79621	0.6
61.02940	0.8
65.03927	1.4
67.05507	6.3
67.61600	0.5
68.99789	1.2
69.03425	3.4
69.07072	21.0
71.04979	0.5
71.08632	0.7
71.56932	0.8
73.02900	1.3
77.03928	1.1
79.05495	24.5
81.03409	0.7
81.07060	24.2
82.01438	0.7
83.08622	11.6
85.02890	3.5
89.03911	4.9
89.06052	3.3
91.05482	16.9
93.03381	0.7
93.07047	45.9
95.04977	6.3
95.08616	6.2
97.02884	0.9
98.97591	1.6
99.04486	1.1
100.02502	1.6
102.96854	0.7
103.05470	32.3
105.03413	1.4
105.04547	1.5
105.06304	0.8
105.07030	23.2
107.04967	6.7
107.08595	89.3
108.09427	1.4
109.06523	8.5
109.10174	1.9
110.01977	0.8
115.03945	0.8
115.05457	1.1
116.98656	0.6
117.03388	4.3
117.07009	6.8
119.01831	0.9
119.04965	0.7
119.06089	0.8
119.08582	18.1
121.02864	1.3
121.06544	5.3
121.10146	100.0
122.10442	1.3
123.08072	2.1
127.07581	6.1
129.07024	0.8
130.06517	1.1
130.07790	4.0
130.52577	0.6
131.04930	40.6
132.08101	1.6
133.02872	2.3
133.06522	1.3
133.07558	1.0
133.10185	1.0
135.04436	11.9
135.08049	4.8
135.11693	43.3
143.08551	1.4
145.02858	3.6
145.06534	1.6
145.10126	34.7
147.08081	0.6
147.09198	0.9
148.08859	2.2
148.12411	1.0
161.09628	0.8
163.03917	37.7
163.07547	19.2
163.11183	62.4
163.14822	29.6
164.07042	1.5
164.11540	0.7
164.15137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05878	1.3
71.06218	0.9
82.99841	9.3
100.02470	1.5
101.00886	73.9
102.00947	0.8
117.38219	0.7
119.01928	98.4
120.02013	2.5
124.02459	16.2
137.02979	12.3
142.03506	100.0
143.03621	0.8
148.10794	0.7
160.04572	15.3
165.05188	1.9
181.43849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
57.03430	0.8
61.02937	0.4
63.93436	0.3
65.03944	0.9
66.39239	0.3
67.05500	1.1
68.31242	0.3
69.03437	2.5
71.05000	0.5
71.17538	0.3
71.46873	0.5
77.76675	0.3
78.16296	0.3
79.05512	0.6
81.03426	0.5
81.07048	0.5
82.99849	0.5
83.01549	0.6
83.04967	0.8
85.02901	1.2
91.05484	20.2
92.05827	0.5
93.07028	0.6
95.04965	2.8
95.08596	0.6
99.04476	0.4
100.02476	0.4
101.00883	6.5
101.02576	1.3
104.25362	0.3
105.07048	0.7
107.04920	0.3
107.08580	0.4
109.06519	0.5
109.10152	1.1
111.04439	0.5
119.01933	13.2
119.04945	43.9
119.08583	0.8
120.05207	0.3
121.10200	0.5
123.04449	1.7
124.02458	1.8
129.05501	0.4
137.02945	2.1
137.09593	1.2
142.03499	12.4
143.03654	0.4
147.04414	100.0
148.04761	1.1
160.04576	2.4
165.05463	2.9
165.07562	0.5
165.09134	1.4
165.12708	1.5
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	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03952	1.5
55.05513	1.5
57.03420	0.9
57.07066	1.1
59.04984	0.5
59.07554	0.3
61.02925	0.3
65.03932	1.3
66.72070	0.3
67.05505	3.0
69.03432	8.8
69.07069	2.6
69.20130	0.3
70.86445	0.7
71.05002	0.5
77.03890	0.3
79.05509	1.8
81.03418	8.3
81.07055	6.2
83.04990	1.8
83.08582	0.3
85.02850	0.5
91.05480	21.1
93.07041	2.0
95.04968	5.4
95.08607	6.3
97.06521	0.5
99.04468	0.4
100.97073	0.3
101.00883	3.8
103.05463	0.5
105.07047	3.6
105.84320	0.3
107.08584	2.9
109.06521	5.7
109.10149	1.1
110.07283	1.0
111.04421	0.3
111.08102	0.5
117.07016	0.5
119.01937	5.3
119.04942	44.5
119.08583	3.4
120.05265	0.4
121.06503	0.4
121.10172	2.0
122.07303	0.4
123.04453	3.1
123.08072	8.0
123.11700	4.3
124.02460	1.2
133.02975	0.3
137.02939	1.0
137.09616	2.3
137.13243	1.3
142.03493	6.2
147.04410	100.0
147.11676	2.6
148.04758	1.2
160.04575	1.1
164.03004	0.3
165.05531	1.6
165.09070	0.9
165.12755	46.2
171.93475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
54.53344	0.7
55.01881	5.4
55.05510	7.7
55.07127	0.8
56.40645	0.9
56.96548	1.1
57.03426	3.1
57.07073	5.7
57.29542	0.8
61.02923	2.5
65.03943	1.2
67.05508	8.0
67.11488	0.7
69.03426	7.5
69.07071	21.0
70.71478	2.0
71.04993	1.6
73.02901	1.0
74.00301	1.0
77.03918	1.1
79.05495	29.6
81.03409	1.6
81.07059	35.5
82.01469	0.9
83.04961	1.7
83.08200	1.1
83.08625	10.0
85.02906	15.0
87.04455	0.8
89.03922	5.0
89.06022	1.5
91.05482	23.4
93.07048	54.2
95.04980	7.4
95.08605	5.7
97.02895	2.4
98.97593	1.7
99.04486	1.3
100.02472	1.5
103.05471	29.4
105.04509	1.4
105.07037	27.0
106.07825	1.3
107.04964	9.4
107.08598	82.6
108.09364	1.2
109.06525	14.4
109.10178	1.8
110.01302	1.4
115.05447	1.2
117.03395	5.9
117.07011	10.6
119.01809	2.1
119.06104	1.0
119.08581	25.5
120.05714	0.8
121.02847	1.3
121.06522	5.5
121.10149	100.0
122.10434	1.1
123.08086	2.3
126.89814	0.8
127.03898	1.0
127.07563	9.8
128.04883	1.1
130.01913	0.7
130.06532	1.1
130.07767	6.0
131.04936	36.7
133.02852	3.4
133.06509	1.4
133.10132	1.8
135.04420	13.0
135.08051	6.4
135.11693	33.7
143.08575	2.0
145.02869	4.9
145.06450	1.9
145.10130	54.4
148.05193	1.2
148.08815	3.7
161.09587	0.9
163.03923	41.9
163.07552	14.7
163.11185	98.1
163.14818	25.4
164.04268	1.2
164.06992	1.5
164.11548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01873	6.5
55.05499	4.5
56.96544	1.8
57.03429	1.5
57.07071	0.9
65.03934	1.5
67.05513	7.7
69.03423	2.9
69.07068	1.6
70.93479	2.0
76.01503	1.1
79.05073	1.8
79.05498	26.3
81.07061	42.3
83.04980	1.5
89.03916	12.5
91.05483	14.0
93.03400	1.5
93.07048	54.0
95.04983	9.7
95.08606	3.4
98.97623	1.5
100.02483	2.3
103.05465	20.7
105.03388	1.4
105.04543	1.3
105.07038	17.0
107.04950	6.4
107.08597	25.2
109.05819	1.2
109.06528	14.2
115.05445	1.6
117.03390	12.4
117.07018	9.5
119.08590	22.1
121.06534	5.8
121.10149	52.6
123.08107	1.1
127.07558	9.7
127.19684	1.0
130.07779	8.6
131.04924	24.6
133.02835	1.0
133.06483	2.4
135.04431	22.8
135.08067	8.5
135.11713	6.5
143.08569	2.1
145.02861	9.9
145.10129	67.5
148.08821	1.8
163.03915	36.7
163.07513	8.8
163.11185	100.0
163.14806	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	163.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01861	3.5
55.05514	13.8
56.96571	1.3
57.03426	1.8
57.07079	30.4
61.02928	1.5
61.90691	0.9
67.05498	4.4
69.03421	3.5
69.07067	2.2
69.54867	1.8
69.55269	5.8
74.25769	0.9
77.03900	1.1
79.05500	14.9
80.18829	0.9
81.07059	21.9
83.08617	4.3
85.02911	3.8
89.03925	10.3
89.06042	24.5
91.05486	9.3
91.50441	0.9
93.06488	1.8
93.07050	29.8
95.04993	6.5
95.65203	1.1
98.20759	1.9
99.21997	0.9
101.09669	6.6
103.05476	18.1
105.06377	1.6
105.07034	11.9
107.04958	8.8
107.07047	4.1
107.08596	14.5
109.06528	8.7
117.03409	8.5
117.07018	8.9
119.01784	1.0
119.04946	2.0
119.08595	11.6
121.06509	3.8
121.10147	25.3
123.07978	0.9
127.07577	5.3
130.07797	4.1
131.04941	24.4
133.02850	1.6
133.06490	2.7
135.04425	15.3
135.08073	6.1
135.11673	5.3
143.08575	2.4
145.02901	7.4
145.03943	1.8
145.06514	1.7
145.10138	35.3
148.08876	7.9
163.03918	33.9
163.05251	2.1
163.07564	6.8
163.11188	100.0
164.11511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03938	3.2
55.01862	2.2
55.05512	11.5
56.96555	1.2
57.03431	1.8
57.07079	7.1
57.10139	0.5
59.79621	0.6
61.02940	0.8
65.03927	1.4
67.05507	6.3
67.61600	0.5
68.99789	1.2
69.03425	3.4
69.07072	21.0
71.04979	0.5
71.08632	0.7
71.56932	0.8
73.02900	1.3
77.03928	1.1
79.05495	24.5
81.03409	0.7
81.07060	24.2
82.01438	0.7
83.08622	11.6
85.02890	3.5
89.03911	4.9
89.06052	3.3
91.05482	16.9
93.03381	0.7
93.07047	45.9
95.04977	6.3
95.08616	6.2
97.02884	0.9
98.97591	1.6
99.04486	1.1
100.02502	1.6
102.96854	0.7
103.05470	32.3
105.03413	1.4
105.04547	1.5
105.06304	0.8
105.07030	23.2
107.04967	6.7
107.08595	89.3
108.09427	1.4
109.06523	8.5
109.10174	1.9
110.01977	0.8
115.03945	0.8
115.05457	1.1
116.98656	0.6
117.03388	4.3
117.07009	6.8
119.01831	0.9
119.04965	0.7
119.06089	0.8
119.08582	18.1
121.02864	1.3
121.06544	5.3
121.10146	100.0
122.10442	1.3
123.08072	2.1
127.07581	6.1
129.07024	0.8
130.06517	1.1
130.07790	4.0
130.52577	0.6
131.04930	40.6
132.08101	1.6
133.02872	2.3
133.06522	1.3
133.07558	1.0
133.10185	1.0
135.04436	11.9
135.08049	4.8
135.11693	43.3
143.08551	1.4
145.02858	3.6
145.06534	1.6
145.10126	34.7
147.08081	0.6
147.09198	0.9
148.08859	2.2
148.12411	1.0
161.09628	0.8
163.03917	37.7
163.07547	19.2
163.11183	62.4
163.14822	29.6
164.07042	1.5
164.11540	0.7
164.15137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01875	7.0
55.05512	4.2
57.03431	1.0
57.07059	0.8
61.02909	0.7
65.03934	1.7
67.05507	7.7
69.03416	3.2
69.07065	1.6
69.52319	3.7
69.52722	1.5
77.03926	2.2
79.05492	28.1
81.03408	1.3
81.07055	43.8
81.10233	0.7
89.03923	4.6
91.05478	13.9
92.02624	2.5
93.03425	0.8
93.07047	50.3
95.04974	12.4
95.08598	2.3
98.20853	1.6
98.97579	2.2
100.02471	2.0
103.05468	12.1
105.03384	2.5
105.04508	2.7
105.07030	18.2
107.04964	6.0
107.08591	20.5
109.06525	16.5
110.01251	0.9
115.05439	1.8
117.03406	5.8
117.07017	12.3
119.01778	1.2
119.04913	0.9
119.08585	25.3
121.06515	6.1
121.10143	56.6
123.08053	1.3
127.07554	11.6
128.06165	1.1
130.06781	0.9
130.07785	7.7
131.04927	17.1
133.02869	14.3
133.06473	2.0
133.07614	0.8
135.04417	23.3
135.08069	5.3
135.11722	4.8
143.08566	2.7
145.02872	2.5
145.06473	1.5
145.10124	76.2
146.10384	1.0
147.08009	1.0
148.08820	2.2
163.03909	73.7
163.07532	5.8
163.11177	100.0
163.14838	2.4
164.04279	1.0
164.11565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.20443	0.7
53.03942	3.4
53.97487	0.6
55.01866	5.7
55.05507	4.7
57.07045	0.9
59.19512	0.7
65.03933	1.6
67.05505	9.1
69.03423	3.4
69.07062	4.3
69.56492	1.2
69.56892	2.8
77.03931	1.1
79.05495	30.6
81.03417	1.1
81.07057	50.4
83.04984	0.9
83.08611	0.8
89.03891	2.3
91.05479	14.9
93.03425	1.2
93.07044	57.6
95.04968	7.6
95.08604	4.5
98.20807	0.9
100.02442	1.1
103.05474	7.8
105.04485	0.9
105.07031	20.2
107.04964	4.1
107.08591	32.9
109.06518	17.4
114.18533	0.7
115.05429	1.5
115.06202	0.7
117.03366	2.0
117.06250	0.8
117.07015	9.0
119.06171	1.1
119.08591	23.1
121.06538	4.2
121.10143	56.5
123.08082	1.3
127.07556	11.1
128.06148	0.9
129.07010	1.2
130.07800	6.8
131.04907	7.1
133.02870	1.0
133.06509	1.3
133.07614	0.8
135.04404	6.1
135.08054	8.6
135.11681	9.6
135.54524	0.6
143.08580	3.3
145.02844	1.5
145.06491	1.4
145.10124	71.7
146.10405	1.3
147.08011	0.9
148.08824	2.6
161.09669	1.3
163.03929	12.7
163.07516	4.3
163.11182	100.0
163.14798	13.1
164.11504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02377	1.1
53.03949	3.2
55.01876	5.0
55.05508	5.0
56.96553	1.1
57.03416	0.7
57.22094	0.6
65.03923	1.8
67.05497	6.3
69.03421	3.1
69.07063	1.8
69.39312	3.6
69.39722	1.0
79.05494	25.2
81.03404	0.9
81.07056	36.6
83.00787	0.7
83.04971	0.8
89.03905	5.9
91.05483	26.0
93.07046	45.2
95.04964	6.7
95.08601	1.1
98.97578	2.1
100.02455	1.6
103.05470	15.3
105.02121	0.7
105.04535	1.6
105.07033	69.3
106.07313	0.8
107.04963	6.0
107.07880	1.0
107.08593	18.9
109.05803	0.9
109.06519	12.9
110.01286	0.9
115.05446	2.1
117.03402	3.9
117.07024	10.9
118.07845	4.5
119.01807	1.2
119.04885	1.3
119.08585	19.1
121.06509	15.5
121.10146	45.4
123.08055	1.3
127.07550	8.6
129.06960	1.0
130.07791	5.0
130.52570	0.7
131.04927	15.0
131.08569	5.9
133.02824	2.0
133.06499	1.6
133.10133	28.7
135.04430	11.2
135.08046	7.1
135.11705	5.8
143.08546	1.9
145.02859	3.8
145.10126	55.8
147.08049	0.8
148.08807	3.1
151.11183	11.4
161.09477	1.0
161.10742	12.2
163.03909	21.6
163.07545	5.1
163.11180	100.0
163.14830	2.0
164.11496	1.3
169.29366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03931	3.6
54.44671	0.9
55.01873	6.8
55.05507	4.2
67.05503	8.6
69.03423	3.3
69.07087	1.5
69.76978	0.9
70.80881	2.6
79.05498	29.2
81.07063	54.7
91.05495	13.8
93.03429	1.1
93.07050	54.8
95.04980	5.7
95.08588	1.1
103.05436	2.4
105.04553	1.1
105.07035	18.3
107.04987	1.8
107.08595	16.3
109.06525	20.4
117.07013	11.9
119.08587	29.6
121.06500	3.9
121.10149	53.8
127.07559	12.1
130.07793	8.3
133.06541	1.5
135.08075	8.0
135.11702	6.8
143.08598	2.4
145.10132	78.9
148.08856	1.8
163.11189	100.0
164.11530	1.6
178.77785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01872	4.3
55.05503	3.2
57.07073	1.3
67.05206	0.9
67.05512	8.1
69.03416	2.6
69.07067	1.0
70.53690	1.9
70.54018	1.1
71.04974	1.1
73.35794	0.9
77.03912	1.3
79.05493	20.0
81.07064	35.4
85.02929	1.4
89.06037	0.9
91.05483	8.9
92.53543	1.1
93.07051	40.1
95.04973	7.3
97.06546	1.0
101.11649	1.0
103.05478	3.5
105.04464	1.2
105.07037	17.2
107.04943	3.2
107.08595	17.6
109.06532	13.5
112.14461	0.9
117.07021	9.8
119.08590	18.6
121.06525	5.0
121.10152	46.9
124.64149	0.9
127.07584	9.5
130.07768	6.4
131.04922	3.7
133.06523	2.5
135.04428	2.6
135.08047	6.2
135.11705	3.9
139.82478	1.1
143.08565	2.7
145.10132	63.6
146.10381	1.3
147.07922	0.9
148.08835	2.1
163.03917	6.1
163.07526	2.5
163.11191	100.0
164.30231	1.0
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	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
52.07771	0.4
53.03947	2.9
55.01860	1.6
55.05524	1.8
56.96551	0.7
57.03429	0.6
57.07069	0.5
65.03934	0.7
67.05506	1.8
69.03437	5.8
69.07050	1.1
71.04992	0.6
71.48263	0.5
77.03939	0.9
79.05497	10.7
79.64014	0.3
81.03409	0.9
81.07064	6.6
83.04984	1.7
85.02923	0.7
89.03914	1.7
89.89717	0.3
91.05487	6.2
92.02644	0.7
92.84660	0.4
93.07046	21.1
93.53168	0.4
95.04962	2.8
95.08606	0.8
96.65661	0.3
98.97593	0.4
100.02494	0.7
103.05473	23.1
105.03414	0.8
105.04524	1.2
105.07037	7.9
107.04978	4.8
107.08598	13.8
109.06516	2.7
115.05451	0.6
117.03385	1.6
117.07020	6.2
118.03519	0.4
119.04929	0.4
119.08582	4.9
121.06526	3.7
121.10152	19.0
123.08044	0.6
127.07576	0.7
129.06932	0.5
129.63208	0.3
130.06599	0.5
130.07788	3.1
131.04936	28.3
133.02853	4.6
133.06544	0.5
135.04427	8.4
135.08066	2.9
135.11690	7.9
143.08524	0.9
145.02847	1.5
145.06503	0.8
145.10132	27.3
148.08855	1.3
161.09628	0.4
163.03918	25.0
163.07555	8.3
163.11186	100.0
164.07007	0.7
164.11528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.00296	0.8
53.03950	7.1
55.01882	5.4
55.05528	3.7
55.05767	0.9
56.96555	3.2
57.03438	4.3
57.07076	1.6
65.03938	1.4
67.05515	6.4
68.99773	2.3
69.03431	4.9
69.07079	4.4
69.48965	2.6
69.49397	2.9
69.55434	0.8
71.04981	1.1
77.03896	1.9
77.04801	0.9
79.05499	38.8
81.03412	1.9
81.07065	16.5
82.01422	0.9
83.00764	1.2
83.04972	1.0
83.08624	1.9
85.02911	1.7
85.33177	0.8
89.03925	10.7
89.06037	1.4
91.05488	29.9
92.01296	1.4
92.06263	2.8
93.07050	30.1
94.51563	0.9
95.04980	11.0
95.08619	6.4
96.01575	1.0
97.02832	1.0
98.97568	3.4
99.04443	1.0
100.02485	2.4
102.04662	1.6
103.05475	100.0
104.06277	1.1
105.04549	4.1
105.07043	45.7
107.04965	48.5
107.08602	31.9
108.05247	1.3
109.06519	4.9
115.05459	11.7
116.06236	1.3
116.52801	1.1
117.03395	9.0
117.07004	9.9
118.03542	1.7
119.01781	2.7
119.04925	3.1
119.05892	0.8
119.08585	8.9
120.05733	11.2
121.02851	1.5
121.06522	14.2
121.10153	22.5
121.11037	1.1
122.09676	3.8
123.08070	2.4
127.07568	3.0
128.98653	0.8
130.06506	1.6
130.07774	2.9
131.04938	49.5
131.08661	1.1
133.02818	3.9
133.06482	3.4
133.10150	2.8
135.04439	25.4
135.08063	65.8
135.11716	7.5
136.07492	1.1
145.02852	7.9
145.06471	5.4
145.10136	24.3
147.08038	1.2
148.05243	3.8
148.08815	4.1
163.03925	52.7
163.07561	62.3
163.11188	71.7
163.14851	11.4
164.07030	1.2
164.10597	1.2
182.03548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03947	2.0
55.01874	1.4
55.05518	3.5
56.96558	1.0
62.52726	0.5
67.05508	3.8
69.03442	1.3
69.07072	5.0
70.98527	0.5
71.15051	1.0
79.05505	10.2
81.07061	22.0
88.02229	0.6
90.04701	0.7
91.05487	15.3
93.07053	9.9
95.04983	0.6
95.08606	3.0
103.05476	6.0
105.07037	100.0
106.07385	1.2
107.08622	1.9
113.57895	0.6
115.05453	8.6
117.07046	3.4
118.04189	5.1
118.06509	0.7
119.08590	45.4
121.06501	0.8
121.10155	1.2
127.01511	0.7
128.06277	0.8
129.03877	0.8
131.04947	1.6
131.08540	2.8
133.06500	17.3
133.10139	27.6
143.04890	1.1
143.06024	1.3
143.08612	1.8
146.03659	1.2
146.07259	1.6
146.10884	1.0
159.11646	1.1
161.05984	11.1
161.09634	12.0
161.13271	68.2
162.05482	0.9
162.13591	0.8
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
53.03951	1.6
55.05498	0.6
56.96560	1.9
61.02924	0.5
62.49827	0.4
62.94840	0.5
63.02387	1.6
63.37355	0.4
69.03435	0.6
70.70826	1.4
77.03938	1.2
79.05495	8.5
88.72433	0.5
89.03922	58.0
91.05483	1.6
93.07043	1.4
95.04961	1.4
103.05473	12.3
105.04493	0.9
107.04955	13.3
107.08612	1.0
117.03384	54.1
117.07027	0.7
118.03699	0.8
121.06525	0.6
121.10240	0.6
123.04482	0.9
128.25598	0.5
131.04932	15.7
135.04419	84.9
136.04736	1.0
145.02855	42.9
145.03911	2.0
146.03172	0.7
151.07513	0.8
163.03909	100.0
163.07520	4.9
163.11169	1.2
164.04196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03951	2.5
55.01872	2.7
55.05518	5.9
55.34854	0.4
56.96560	0.8
65.03950	1.1
66.04789	0.4
67.05510	2.3
69.03423	0.5
69.07074	6.0
71.06427	0.9
71.06771	0.7
77.03932	0.9
79.05499	13.9
81.07054	6.9
89.03936	0.5
90.04691	0.5
91.05488	45.2
92.05824	0.7
93.07054	6.8
95.04961	1.8
95.08611	1.0
103.05482	13.5
104.06271	0.6
105.07039	100.0
106.07351	1.2
107.04954	0.9
107.08601	2.9
115.05466	21.0
115.06283	1.0
116.06252	14.1
117.07032	4.2
118.04172	3.5
118.06549	1.2
118.07780	0.5
119.08591	45.4
121.06499	0.7
121.10154	1.5
128.06238	2.3
129.07021	4.2
130.07762	0.5
131.04942	2.0
131.08574	32.4
132.05717	0.6
132.09314	0.6
133.06505	27.3
133.10143	23.3
134.06828	0.6
143.06061	5.1
143.08577	1.6
144.09380	0.5
146.03661	1.3
146.07259	3.0
146.10905	1.1
149.09636	7.2
159.09184	5.1
159.11684	2.0
161.05998	10.8
161.07294	0.9
161.09634	23.9
161.13269	37.3
162.13548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
52.88493	0.3
53.03944	2.7
55.01884	3.0
55.05515	3.6
55.50511	0.3
56.96576	0.7
58.84217	0.4
62.14116	0.4
65.03937	0.9
66.04673	0.4
67.05503	2.0
68.07276	0.3
69.07076	4.6
71.54250	0.6
76.14408	0.3
77.03921	0.9
79.05498	14.9
81.07066	6.2
83.08605	0.6
89.03921	0.5
90.04690	0.7
91.05486	34.9
93.07043	6.0
95.04961	1.9
95.08614	1.3
98.97567	0.4
103.05473	14.4
104.06240	0.4
104.17451	0.4
105.07036	100.0
106.07344	0.8
107.04958	0.8
107.08607	2.4
113.02380	0.5
115.05458	19.0
116.06245	9.9
117.07049	2.8
118.01157	0.3
118.04167	4.6
118.06525	1.0
119.01925	0.8
119.08589	37.4
120.08883	0.5
121.06519	0.9
121.10150	0.9
128.06223	1.9
129.06999	3.4
131.04955	2.2
131.08574	24.7
132.05688	0.9
133.06502	30.5
133.10135	20.4
143.06062	4.4
143.08508	1.9
145.06436	0.6
146.03629	1.2
146.07248	2.2
146.10921	1.0
149.09616	4.0
159.08044	0.5
159.09216	4.3
159.11691	1.0
161.05997	12.3
161.09630	20.2
161.13260	28.7
162.05399	0.5
162.13724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72581	0.2
53.03949	0.3
55.01881	0.3
55.05506	0.8
59.00869	0.2
67.05502	0.4
68.14525	0.2
69.03432	0.2
69.07065	0.5
71.54527	0.2
71.54903	0.3
74.37548	0.2
77.97741	0.2
79.05495	1.6
81.07076	1.1
84.43307	0.2
91.05484	5.5
92.58134	0.2
93.07041	1.0
95.05008	0.3
95.08631	0.3
103.05486	1.4
104.06247	0.4
105.03391	0.6
105.07037	20.8
106.07370	0.4
107.08621	0.3
115.05466	1.2
117.07040	1.7
118.04184	0.7
119.08587	100.0
120.08925	1.5
121.06542	0.2
121.10153	0.2
128.06227	0.6
131.08539	0.5
132.09351	0.2
133.06496	2.4
133.09132	0.3
133.10138	6.2
143.06055	0.4
143.08568	0.4
144.67848	0.2
146.03639	0.3
146.07245	0.5
146.10916	0.4
149.62308	0.2
159.11705	0.3
160.84785	0.2
161.05992	4.3
161.07249	0.4
161.09625	3.6
161.13271	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03950	0.5
55.01899	0.4
55.05260	0.5
55.05516	5.6
57.73545	0.2
65.03489	0.3
69.07078	1.6
69.93024	0.6
69.93420	0.7
75.62268	0.3
77.03923	0.3
79.05503	2.2
81.07065	0.8
91.05486	6.3
93.07041	1.1
95.04949	0.4
98.21456	0.6
98.97648	0.3
103.05471	2.0
104.06286	0.3
105.07038	18.4
107.08602	0.9
115.05445	1.9
116.09870	0.2
117.07029	2.6
118.04175	0.7
119.08587	100.0
119.31399	0.3
120.08930	1.0
121.10153	2.1
128.06306	0.5
131.04968	0.3
131.08568	1.5
133.06520	3.7
133.10139	13.5
134.10530	0.3
143.06123	0.3
143.08542	0.3
146.07278	0.3
146.10892	0.9
159.11668	0.4
161.05977	2.1
161.07132	0.3
161.09621	2.6
161.10616	0.4
161.10889	0.6
161.13266	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03947	1.8
55.01865	3.3
55.05508	9.1
56.96561	1.8
61.36311	0.5
65.03931	0.7
66.04729	0.8
67.05511	2.0
69.03430	2.6
69.07069	11.4
69.82139	3.1
71.04991	0.7
72.08138	0.6
78.93125	0.6
79.05493	12.0
81.07071	3.2
81.53653	0.6
83.04982	0.7
83.08620	0.7
87.04463	0.7
89.79434	0.7
90.04691	1.2
91.05482	15.3
93.07045	4.2
95.04984	1.3
95.08605	0.9
97.02922	0.6
98.97590	0.8
101.00887	1.2
101.95026	1.4
103.05460	11.1
105.07032	100.0
106.07303	1.2
107.04955	0.9
107.08587	1.9
113.02357	0.8
115.05453	13.9
115.06264	0.7
117.07021	4.5
118.04164	8.0
119.01913	2.7
119.08580	90.2
119.96036	0.6
120.08879	1.0
121.06510	1.7
121.10121	0.8
128.06230	2.4
131.04924	2.7
131.08571	5.1
132.05692	0.8
133.06493	30.6
133.10127	31.1
143.04953	1.4
143.06055	2.6
143.08557	3.7
144.08104	1.1
145.06415	0.8
145.10095	1.2
146.03632	1.2
146.07304	2.8
146.10869	3.0
148.06532	0.7
159.11684	2.7
161.05981	10.7
161.07159	1.9
161.09613	27.4
161.13254	76.7
162.05502	0.8
162.13647	1.0
171.21521	0.6
180.08965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01874	1.4
55.05518	3.5
56.96558	1.0
62.52726	0.5
67.05508	3.8
69.03442	1.3
69.07072	5.0
70.98527	0.5
71.15051	1.0
79.05505	10.2
81.07061	22.0
88.02229	0.6
90.04701	0.7
91.05487	15.3
93.07053	9.9
95.04983	0.6
95.08606	3.0
103.05476	6.0
105.07037	100.0
106.07385	1.2
107.08622	1.9
113.57895	0.6
115.05453	8.6
117.07046	3.4
118.04189	5.1
118.06509	0.7
119.08590	45.4
121.06501	0.8
121.10155	1.2
127.01511	0.7
128.06277	0.8
129.03877	0.8
131.04947	1.6
131.08540	2.8
133.06500	17.3
133.10139	27.6
143.04890	1.1
143.06024	1.3
143.08612	1.8
146.03659	1.2
146.07259	1.6
146.10884	1.0
159.11646	1.1
161.05984	11.1
161.09634	12.0
161.13271	68.2
162.05482	0.9
162.13591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29068	0.4
53.03943	3.0
55.01871	2.7
55.05512	5.5
56.96566	0.9
57.07083	0.5
65.03935	0.9
67.05508	2.1
69.03429	1.1
69.07076	4.9
69.88240	1.4
69.88648	1.1
79.05492	12.3
81.03396	0.9
81.07059	7.8
91.05483	65.0
92.05827	0.7
93.07050	7.6
95.04963	1.9
95.08616	1.4
97.02905	0.5
98.97565	0.6
103.05466	14.4
105.07031	100.0
106.07345	0.9
107.04949	0.6
107.08607	3.1
113.02286	0.6
115.05455	20.9
116.06246	22.1
117.07027	4.7
118.04184	4.2
118.06531	1.1
118.07834	0.8
119.01904	0.5
119.08582	46.2
121.06501	0.8
121.10155	2.4
128.06232	3.0
129.07007	9.0
130.07825	0.7
131.04921	2.0
131.08565	50.7
132.05721	0.6
132.09013	0.7
133.06493	22.4
133.10130	28.7
134.06880	0.5
143.05005	0.9
143.06030	4.4
143.08556	2.5
145.10196	0.5
146.03630	1.3
146.07289	4.0
146.10936	1.3
149.08427	0.5
149.09625	9.8
159.09167	8.4
159.11679	1.6
161.05969	9.5
161.09615	30.2
161.13252	38.5
162.05476	0.7
162.10019	0.6
162.13638	0.6
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
53.03952	2.0
55.01864	3.1
55.05512	3.7
56.96564	2.0
57.89757	0.8
59.97114	0.6
60.68920	0.6
61.01158	1.0
63.46022	0.6
65.03923	0.8
67.05500	1.7
69.03436	2.3
69.07069	1.8
71.56290	0.7
79.05495	11.8
81.07069	1.8
83.08624	0.7
90.04704	1.6
91.05485	18.1
93.07063	3.6
95.04967	2.6
101.00858	1.0
101.95039	1.1
103.05472	12.3
105.03397	1.6
105.07034	100.0
106.07362	0.7
107.04959	3.3
108.09081	0.7
113.02391	1.5
115.05457	14.4
117.06998	4.2
118.04163	7.4
118.06529	0.7
118.07840	1.2
119.01918	3.0
119.04932	1.1
119.06886	0.7
119.08581	21.2
121.06508	10.9
128.06245	4.7
131.04935	4.0
131.08589	5.0
132.05690	2.3
133.06500	28.3
133.08450	1.8
133.10133	38.3
134.06825	0.7
134.10457	1.1
138.42160	0.8
143.06071	3.2
143.08553	5.6
145.06522	3.1
146.03622	1.4
146.07266	20.5
159.08061	1.3
161.03000	1.4
161.05978	14.9
161.09621	98.9
161.13254	14.7
162.05482	1.0
162.08937	0.8
162.10098	1.1
184.92276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02362	0.5
53.03943	2.5
55.01651	0.5
55.01874	4.2
66.04720	1.4
67.05526	0.4
69.07046	0.6
71.25735	0.4
71.26183	0.9
77.03920	1.0
79.05494	17.0
89.03907	0.4
90.04700	2.8
91.05479	6.4
92.02615	0.7
93.07056	0.6
95.04990	2.3
101.00887	0.9
103.05471	23.4
105.03426	0.8
105.07035	100.0
106.07324	0.6
106.47790	0.4
107.04941	1.1
113.02381	0.5
115.05460	29.2
117.07063	0.5
118.04169	15.9
119.01926	1.1
119.08575	4.2
128.06195	0.8
131.04935	4.4
132.05692	1.1
133.06500	56.7
133.10081	2.6
143.04980	0.6
143.06047	6.7
143.08560	0.9
143.13643	0.4
146.03615	0.5
161.05995	15.1
161.07137	0.9
161.09607	6.4
161.10925	0.5
161.13272	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02375	0.5
53.03941	2.0
53.87428	0.4
55.01875	4.4
66.04716	0.8
66.37640	0.4
69.61623	1.9
75.63010	0.4
77.03902	0.5
79.05499	16.0
86.11388	0.5
89.03934	0.8
90.04697	3.8
91.05492	3.8
92.02644	0.9
95.04968	1.8
98.21544	0.8
102.04691	0.6
103.05475	20.9
105.04539	1.3
105.07036	100.0
106.07391	1.1
107.04984	1.0
115.05463	26.5
116.05740	0.5
118.04171	16.2
131.04939	4.3
132.05731	1.0
133.06499	55.2
134.06836	0.7
138.72348	0.4
141.34419	0.4
143.06052	5.7
146.03625	0.5
161.05984	14.1
161.09637	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.3
60.01788	0.2
60.92966	0.2
69.95128	0.2
70.50658	0.3
70.51003	0.5
80.27361	0.2
82.99848	5.2
83.53847	0.2
85.01411	0.3
98.97596	1.9
100.02479	0.3
100.97168	0.3
101.00889	45.1
102.00942	2.5
102.96884	1.1
103.00626	0.3
103.02454	0.5
107.05268	1.2
107.55412	0.3
111.00469	0.5
111.04465	0.4
116.05775	1.7
116.98621	1.1
119.01929	100.0
120.02025	3.9
120.97898	0.6
121.01631	0.4
121.02395	0.3
125.02576	0.4
128.73837	0.2
137.02965	19.0
138.03094	0.9
142.03481	1.4
143.01868	0.6
143.03656	2.9
144.03233	0.5
155.02406	0.2
160.04518	0.3
161.02963	7.4
161.04604	0.8
166.42775	0.3
179.04021	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	159.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01872	0.8
55.05513	11.3
56.96568	16.1
57.03431	1.3
57.07076	5.5
58.97864	0.4
59.04995	1.7
65.03924	1.3
66.99852	0.5
67.05508	44.1
69.03403	0.6
69.07072	6.1
69.58449	0.5
70.06577	0.7
71.01356	0.5
71.04995	58.6
71.08643	1.1
71.54298	0.8
71.95274	4.3
72.05308	0.6
73.06541	0.8
75.42149	0.4
76.92984	0.6
76.93372	3.6
79.05496	8.7
81.03436	1.6
81.07059	100.0
82.07372	0.8
83.05016	0.6
83.08617	2.1
84.96024	0.6
85.02903	1.5
85.06546	15.0
87.00819	1.1
91.05449	2.7
93.07043	1.2
94.94398	1.2
95.04984	0.7
95.08611	16.6
97.06537	1.9
97.10179	1.5
97.93684	0.5
98.09697	0.8
98.97589	70.4
99.04466	2.2
99.08094	3.4
99.10018	1.6
99.97911	3.7
103.05467	1.1
105.07032	1.9
111.62824	0.5
113.02380	2.2
113.05979	1.2
113.09673	1.2
115.05440	1.0
116.98624	45.3
117.07011	3.6
117.53571	0.5
117.95988	3.9
117.98976	3.2
119.08544	0.8
121.10069	0.5
123.08070	1.5
123.11716	12.0
124.02858	0.5
129.07047	1.1
131.04927	2.0
131.08568	6.1
134.99667	18.0
135.97017	1.4
136.00018	1.8
140.00169	2.3
141.01837	9.2
141.05463	1.3
141.07031	0.7
141.09117	2.7
141.12747	23.2
141.14595	1.0
144.05745	1.2
144.09323	1.7
153.00706	1.8
158.01297	1.7
158.99738	1.0
159.02991	0.5
159.06381	1.3
159.08075	6.0
159.09090	1.1
159.11687	10.8
159.13731	0.9
159.15746	6.9
160.07564	1.0
177.00764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05521	1.0
56.96564	5.9
57.03469	0.4
58.93542	0.4
67.05508	2.9
70.85723	1.0
71.05008	0.6
71.06912	0.5
71.95260	0.6
76.92918	2.1
76.93383	1.9
79.05511	1.4
80.30784	0.4
81.07059	1.9
82.48434	0.4
85.02879	0.5
87.00851	0.9
91.05484	11.4
91.06018	0.8
93.07042	0.5
94.94398	0.6
95.02609	1.3
95.52766	0.7
96.61628	0.4
98.97589	9.8
99.04465	0.5
99.10009	0.6
99.97933	0.7
103.05489	0.9
104.03172	0.5
105.07036	15.6
113.02371	1.6
115.05445	4.8
116.06248	1.3
116.98637	4.8
117.07020	26.0
117.95978	2.6
118.00372	0.5
119.08587	6.4
126.05177	0.7
126.55340	1.7
128.06241	1.3
129.07014	12.1
130.07790	13.4
131.08574	60.6
132.08922	0.9
134.99660	1.8
135.05675	0.7
135.55862	1.4
135.97028	0.9
141.01816	6.2
141.07336	0.5
141.14674	0.5
142.07767	1.3
143.08568	0.9
144.05699	0.6
144.09349	15.0
149.35699	0.5
157.10117	3.2
159.02960	0.7
159.08128	3.4
159.11696	100.0
159.15765	5.3
160.09686	0.5
160.12068	1.6
164.04277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1589
Annotation	Citronellol
Peak:m/z	Relative Intensity
53.03935	2.3
55.05513	100.0
56.96569	6.8
57.03426	1.0
57.07077	36.9
59.05002	40.4
67.05489	1.6
69.07070	77.4
69.73950	3.7
70.06580	1.3
71.08635	20.3
73.06558	34.2
74.93178	1.5
74.93826	4.3
79.05460	0.7
81.07076	1.0
83.04949	1.1
83.08622	68.3
87.08124	2.4
93.07029	1.7
97.02868	1.1
97.06532	1.7
97.10166	16.4
98.09715	4.3
98.97591	1.9
99.10023	2.9
111.04351	0.8
112.07553	1.0
115.11189	1.7
115.96430	5.6
116.98595	1.8
129.06989	2.6
129.85501	0.9
133.97496	0.8
139.03877	1.4
142.07759	10.0
157.04958	1.0
157.06468	0.9
157.10144	10.1
157.14195	1.3
157.15887	2.2
158.08186	1.4
158.09581	1.3
158.15390	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	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98632	0.2
56.96571	6.3
71.30505	0.3
71.95265	1.8
72.03917	0.2
87.50081	0.2
96.50599	0.3
96.54970	0.2
98.97591	100.0
99.97939	0.5
116.98627	38.0
132.49788	0.5
134.99661	9.0
140.00203	1.4
153.00729	0.3
158.01248	0.4
158.15431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.9
56.05035	2.4
56.96296	0.6
56.96567	9.9
57.03442	3.2
57.93559	0.3
58.06579	0.3
60.04529	15.0
67.05492	2.0
68.00348	0.3
69.03430	0.5
69.07077	3.1
69.86747	0.7
69.87139	1.4
70.06593	5.0
71.04976	0.5
71.95263	2.4
72.04507	0.6
74.06086	3.4
79.05500	2.6
81.07062	20.1
82.07398	0.3
84.04520	0.7
84.08136	1.2
86.09708	5.0
95.04975	0.6
95.08614	0.9
98.06069	1.8
98.09700	21.6
98.97589	100.0
99.04446	0.6
99.08096	12.9
102.09175	0.6
112.07622	3.1
115.05479	1.1
115.52640	0.5
116.07101	1.2
116.10007	0.5
116.10746	4.9
116.98625	55.1
123.08067	0.3
128.01268	0.3
128.06201	0.3
128.10728	5.4
130.06522	3.5
130.93643	0.3
131.06529	0.4
131.99529	0.4
133.06511	0.9
134.99664	19.4
140.00212	2.1
140.07063	1.9
140.10698	1.7
140.14354	2.1
141.01859	0.7
152.96890	0.7
153.00725	1.9
158.01308	1.8
158.06096	2.6
158.08145	5.8
158.09654	5.3
158.11780	17.3
158.15411	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	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	3.2
57.03417	1.7
61.02927	1.4
69.81371	5.2
69.81773	3.0
73.02886	1.3
73.28451	1.3
74.09720	13.7
75.01053	1.7
82.01469	1.5
83.06097	3.3
93.04544	1.6
94.00571	1.2
95.06081	2.4
96.96915	2.7
98.09671	3.4
98.20837	1.9
98.97561	1.1
100.02478	2.8
101.00845	2.5
105.02119	1.5
110.07171	28.9
112.05247	9.3
115.02483	1.4
119.01886	2.5
130.06302	16.0
131.00211	3.1
132.01982	2.0
133.01683	1.9
133.03464	3.4
142.39059	1.3
156.04219	100.0
156.07686	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	157.1224
Annotation	60046-50-6
Peak:m/z	Relative Intensity
53.03932	2.7
55.01874	7.2
55.05512	15.9
55.77548	0.7
56.96568	17.2
57.03452	4.3
57.03670	0.8
57.93573	1.3
59.04996	2.3
65.03938	0.8
67.05504	20.5
69.03422	3.7
69.07070	27.2
69.97587	3.6
70.06596	2.4
70.95870	4.0
71.04994	100.0
71.95266	1.4
71.95899	1.0
72.05341	1.1
72.93793	2.7
73.06557	1.8
73.93826	1.4
74.93182	1.6
74.93829	11.9
79.05496	22.8
81.07063	27.5
83.01324	1.0
83.04980	12.6
83.08620	6.5
85.02899	1.7
85.06541	1.5
87.04456	1.4
91.05479	3.8
92.94862	2.4
93.07047	38.1
95.04968	2.8
95.08611	24.9
97.02890	5.4
97.06528	35.2
97.10150	1.8
97.99177	2.9
98.09698	9.1
98.20815	1.1
98.96934	1.7
98.97581	29.9
99.04472	0.9
99.08129	2.0
99.10027	9.5
101.02386	1.2
105.07008	1.2
109.10155	3.1
111.04461	5.1
111.08080	12.3
111.11749	0.9
112.07628	1.3
113.06007	1.2
115.04091	1.0
115.96445	15.7
116.00262	1.1
116.98622	20.0
116.99454	1.2
121.10138	20.8
128.06186	1.0
129.06940	1.8
130.06570	1.6
132.95871	3.0
133.96054	3.3
133.97498	8.1
134.99641	9.8
139.03900	2.8
139.07545	5.8
139.11176	18.9
140.00188	1.3
140.14375	1.6
142.07799	3.2
150.96916	3.3
151.97099	4.4
157.01366	1.5
157.04994	2.4
157.06470	1.8
157.07549	1.3
157.08597	2.8
157.10121	3.4
157.12231	6.3
157.14159	4.2
158.08142	2.0
158.09659	2.8
158.15404	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	155.1431
Annotation	p-Menth-3-en-1-ol
Peak:m/z	Relative Intensity
53.03939	2.8
55.05511	10.5
57.03427	2.1
57.07077	100.0
57.73838	1.1
59.04751	1.4
59.05005	20.7
59.73487	1.0
62.43591	1.1
65.03931	1.9
67.05500	14.6
69.03431	1.8
69.07070	22.5
69.30413	10.9
70.95865	2.7
71.04994	5.8
71.08611	3.0
72.93791	72.9
73.02924	2.4
79.05481	2.7
81.03417	2.2
81.07062	34.1
83.04973	4.3
83.08607	3.4
84.84851	1.3
85.06548	8.8
90.94820	13.9
91.05489	2.7
93.07047	2.9
95.04983	6.1
95.08613	28.6
97.06528	2.6
97.10170	4.8
98.09159	1.5
98.09701	11.1
98.98473	1.2
99.04463	2.3
104.19980	1.2
109.02882	5.3
109.06523	6.9
109.10167	9.1
111.04455	4.7
111.11713	4.3
113.06004	1.9
113.96409	54.5
123.04422	3.7
127.03911	5.3
127.07516	2.5
131.96341	1.9
131.97444	24.0
132.95822	3.7
137.05989	3.1
137.09641	2.1
137.13261	18.1
150.96904	1.7
154.99030	2.3
155.03441	6.7
155.07056	9.1
155.08162	2.0
155.10683	1.5
155.14314	37.7
155.30807	1.2
156.13832	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	155.1431
Annotation	p-Menth-3-en-1-ol
Peak:m/z	Relative Intensity
51.42367	1.1
53.03935	2.8
55.01869	1.9
55.05509	17.8
56.96559	1.8
57.03427	2.7
57.07079	78.7
59.05004	19.4
61.14234	1.2
62.46582	1.4
67.05507	21.8
69.03425	4.2
69.07069	31.1
69.96213	1.4
70.95859	3.1
71.04999	26.9
71.54039	2.1
71.94126	1.4
72.93790	98.4
73.02917	1.7
75.92881	1.4
79.05497	9.9
81.03415	3.4
81.07059	100.0
82.07421	1.6
83.04978	7.6
83.08622	5.5
85.02876	1.5
85.06551	11.7
87.18465	1.3
90.94826	25.3
91.05447	1.9
93.07047	5.2
95.04984	9.2
95.08612	55.5
97.06519	3.1
97.10173	4.5
98.09698	28.1
99.04453	4.3
99.08105	3.4
101.72552	1.3
108.95848	2.5
109.02890	4.0
109.06508	6.9
109.09447	2.5
109.10159	18.2
110.06059	1.3
111.04449	6.1
111.08065	2.9
111.11721	3.8
113.06012	6.7
113.09643	1.8
113.90717	1.2
113.96404	79.1
123.04422	3.8
127.03945	7.0
127.07550	5.3
127.11198	12.2
128.07027	1.3
131.96156	4.6
131.97437	41.5
132.95830	4.1
137.06012	6.5
137.09596	4.3
137.13260	25.0
149.97208	5.9
150.96930	2.9
154.99052	5.8
155.03419	6.6
155.07033	19.0
155.08408	4.6
155.10658	6.0
155.14316	31.1
155.15530	2.8
156.10164	1.7
156.13809	6.7
173.98515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	p-Menth-3-en-1-ol
Peak:m/z	Relative Intensity
50.95346	1.1
53.03917	1.3
55.01860	1.5
55.05519	7.7
57.03436	2.3
57.07081	100.0
57.25688	1.1
59.05011	22.3
65.03938	1.2
67.05518	11.4
69.03429	2.3
69.06733	1.6
69.07079	23.5
69.58046	7.3
70.95857	2.4
71.05003	6.0
71.08636	1.8
72.93796	65.6
73.02918	2.5
79.05492	2.7
81.07067	28.1
83.04997	3.0
83.08614	3.8
85.06551	4.2
90.94835	12.9
91.05471	1.9
91.55923	0.9
93.07053	2.2
93.42999	1.1
95.04984	7.7
95.08615	26.7
97.10177	5.0
98.09710	13.3
99.04432	2.0
99.08103	1.9
109.02904	3.2
109.06536	6.4
109.10169	4.8
111.04461	3.5
111.11713	3.3
113.06035	2.3
113.96414	50.0
123.04426	2.5
127.03938	5.7
127.07573	3.3
131.96352	1.7
131.97443	20.8
132.95859	4.0
137.06010	3.0
137.09631	2.5
137.13278	20.9
149.97226	3.2
150.96881	2.8
154.98988	1.7
155.03384	4.9
155.07072	8.5
155.08302	1.6
155.10693	2.1
155.14322	34.2
155.15581	1.8
156.13844	3.5
167.71268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03947	1.3
53.68014	0.4
55.01874	1.6
55.05515	17.5
56.26405	0.4
56.96576	2.2
57.03435	3.6
57.07078	2.7
59.05007	4.0
65.03954	2.3
67.05508	100.0
68.05829	0.9
69.03441	1.7
69.07057	2.6
69.25293	3.3
69.25701	0.8
70.06612	0.6
71.04996	3.5
72.93793	28.7
79.05508	2.7
81.03432	1.1
81.07063	18.1
83.04987	2.1
83.08620	5.9
85.02900	1.1
85.06535	2.2
86.52718	0.9
90.94833	7.9
91.05482	5.4
93.07050	2.5
95.04985	2.8
95.08617	6.4
98.09695	12.8
98.97538	0.5
98.98475	0.9
99.04469	1.1
107.08649	1.7
108.95869	0.9
109.02878	2.5
109.06525	2.0
109.10164	23.2
110.06091	0.5
111.02119	0.6
111.04461	1.6
111.08081	3.3
112.01013	0.9
113.06036	1.6
113.96412	25.4
119.08604	2.1
121.01587	1.1
123.04446	0.6
123.51835	0.6
127.03925	1.7
127.07590	0.8
131.97438	14.4
132.95862	0.5
137.06018	0.6
137.09653	1.5
149.97282	0.5
153.07036	0.7
154.99049	3.4
155.03427	3.3
155.07086	4.2
155.08595	5.7
155.10675	0.9
156.06607	0.7
156.10245	0.5
156.13841	3.0
168.59395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
53.03947	6.1
55.01874	6.8
55.05516	10.1
55.93485	1.3
57.03423	4.2
57.07078	17.8
58.92160	1.2
59.05006	7.4
65.03936	4.6
67.05505	61.8
68.64504	1.3
69.03429	69.9
69.07069	17.5
69.63712	6.9
70.95846	3.5
71.01353	12.6
71.04597	2.5
71.04993	58.8
72.93790	68.8
79.05504	7.5
81.03416	6.5
81.07056	33.1
81.07528	2.3
83.04979	8.9
83.08583	1.8
84.46430	1.5
85.02896	5.4
85.06539	17.9
85.10165	1.9
87.04443	2.8
90.94819	12.5
91.05485	14.9
93.07050	10.1
95.04969	35.9
95.08606	39.0
97.06524	15.4
98.09687	13.6
98.97602	2.7
99.04453	34.7
99.08087	2.9
105.04526	1.6
107.04945	2.6
107.08587	3.3
109.02881	7.1
109.05819	1.5
109.06525	20.6
109.10155	83.9
111.04440	4.9
111.08076	24.7
111.98421	1.5
113.05239	2.7
113.06007	44.1
113.09629	3.9
113.96406	57.7
119.04971	2.5
119.08578	9.9
122.07279	16.8
123.04431	12.1
127.03876	5.0
127.07556	3.8
131.97433	21.5
132.95830	4.4
137.02309	1.7
137.05956	4.5
137.09618	100.0
140.04663	2.9
150.96863	3.5
154.99019	2.1
155.01680	1.4
155.03365	2.8
155.07019	13.9
155.08514	4.9
155.10660	35.6
155.14287	2.7
156.13829	3.2
167.21413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
54.93840	1.3
55.01875	4.3
55.05517	20.3
55.93518	1.6
56.96568	100.0
57.03438	8.0
60.95835	2.6
61.02906	3.6
65.03887	1.0
66.00488	0.9
67.05511	7.9
67.51057	1.0
68.00234	1.3
69.03438	9.2
69.96177	12.9
70.33202	3.1
70.95000	0.8
70.95869	13.7
70.98123	6.3
71.04965	2.5
71.94108	5.3
71.95228	3.7
72.93792	53.2
73.02561	0.8
73.02924	7.9
73.06557	18.1
74.97581	1.7
75.01015	3.0
77.00770	1.6
79.05464	2.6
80.00252	1.0
81.01026	1.4
81.03418	6.2
81.07060	6.6
81.99953	1.1
82.01393	1.8
82.01836	1.4
83.00748	2.3
83.01270	1.0
83.02562	1.9
83.04977	6.8
83.95236	1.2
84.01543	2.1
84.04442	1.0
84.08156	1.0
84.96024	2.1
85.02915	11.4
85.06528	2.5
86.51852	2.0
86.52680	2.0
87.04442	1.9
88.01784	1.2
88.02665	1.4
88.51553	1.2
88.96886	2.0
89.00751	3.1
90.94384	1.0
90.94833	10.4
91.00489	2.2
91.05444	2.3
92.01256	1.3
92.03109	1.9
93.01890	2.0
93.07052	1.3
93.99968	1.6
95.00748	1.0
95.01299	1.3
95.04990	5.4
95.06091	6.0
95.08582	1.7
96.01514	2.5
96.04484	1.1
96.06821	1.4
97.00490	1.7
97.02908	8.2
97.52083	1.2
97.96767	1.1
97.99184	4.8
98.01294	5.5
98.03190	1.1
98.09710	5.1
98.21416	1.0
98.97588	45.9
99.04430	2.8
100.00997	1.5
100.02476	4.6
100.51534	1.4
100.99100	1.0
101.00848	4.3
101.96255	2.9
102.01520	2.5
102.02297	1.8
102.03343	1.8
102.51295	1.1
102.96836	1.2
103.00512	4.1
104.01265	2.0
106.01052	4.6
106.01666	1.3
106.02800	3.9
107.01770	0.9
108.51237	2.4
109.02878	5.5
109.06530	5.9
109.10128	2.6
109.52033	1.8
110.01240	4.0
110.03058	1.0
110.07118	2.5
110.96754	7.1
110.97531	6.9
111.00189	1.0
111.02068	4.8
111.02859	1.1
111.04482	4.3
111.08099	1.0
111.98466	4.9
112.01020	12.0
112.02742	1.0
112.99075	2.1
113.00825	2.4
113.05945	2.9
113.95084	2.9
113.96409	41.5
113.98625	2.0
114.94662	1.1
115.00671	1.0
115.03321	1.0
115.52543	2.0
116.00210	1.9
116.01284	1.0
116.98625	13.1
117.02067	1.2
117.03819	2.0
117.51830	4.3
118.02801	1.8
118.03523	1.5
119.01869	6.6
119.03603	1.7
119.97330	41.1
120.00719	2.8
121.01554	8.2
122.47533	1.7
123.01196	1.2
123.04433	1.6
123.51784	2.2
124.99095	1.9
125.01749	1.9
125.03576	1.0
127.00698	1.4
127.03938	5.9
127.07538	1.3
128.02255	2.7
128.97836	48.9
128.98631	2.9
129.02228	5.1
129.47954	1.0
129.99469	2.4
130.00897	1.0
130.01888	1.0
131.00116	3.0
131.01906	8.7
131.48131	7.2
131.96101	46.7
131.97372	19.2
131.99603	1.0
132.00620	1.2
132.02647	1.2
132.05037	1.1
132.52341	1.5
132.95825	21.4
133.01614	1.1
133.03398	1.8
134.02284	1.6
134.99602	3.1
136.93109	1.3
137.02303	2.5
137.06020	4.1
137.06905	1.2
137.98375	26.8
138.05484	1.1
140.47722	0.9
140.48640	11.0
140.98572	1.4
142.03514	4.1
143.00105	3.9
143.02744	1.8
144.97993	2.6
145.01660	1.8
146.04065	3.7
146.91896	0.9
146.99567	2.8
147.03281	9.7
149.01147	3.1
149.02911	1.2
149.49095	3.4
149.97208	48.1
150.96889	20.3
154.90697	2.2
154.94139	2.1
154.97702	2.2
154.98926	1.3
155.00111	2.0
155.01988	1.8
155.03372	6.1
155.04599	31.3
155.06964	8.1
155.08115	11.8
155.11755	2.4
155.54802	4.7
155.97377	2.5
156.13762	1.7
158.99673	20.3
160.64732	0.9
161.01129	2.3
162.99142	1.5
163.02762	1.6
164.05217	7.8
165.04376	6.1
166.55432	1.7
167.98251	1.9
172.95241	1.9
172.98747	2.1
173.01129	2.7
173.02925	1.8
173.98428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	5.1
55.01864	2.5
55.05515	23.3
57.03437	2.2
57.07088	2.4
59.04999	8.8
62.26244	1.9
65.03931	4.7
67.05497	7.1
69.03421	2.8
69.07072	47.7
69.71860	10.9
71.05000	44.7
73.06220	2.3
73.06561	21.9
77.03909	1.7
79.05497	30.6
81.07059	100.0
83.04973	3.7
83.08625	2.6
91.05479	7.6
93.03388	3.5
93.07050	49.5
95.04977	4.5
95.08619	9.0
97.06535	10.5
105.04557	2.4
105.07018	2.4
107.04963	3.4
107.08598	49.6
109.06530	2.3
109.10143	11.0
111.04472	5.2
111.08090	6.6
125.06006	3.7
135.04420	46.1
135.08078	2.1
135.11694	33.5
142.19249	1.7
153.01855	11.2
153.05482	5.4
153.09102	2.7
153.12756	22.8
157.08105	2.6
169.39534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01870	0.2
55.05272	0.2
55.05517	3.3
56.05037	0.5
56.96562	0.7
57.07075	0.3
58.34616	0.2
60.44040	0.2
62.56601	0.2
65.97865	0.2
66.04256	0.3
67.05503	0.9
69.03413	0.5
69.07057	0.2
69.94489	0.6
69.94901	0.5
70.06590	0.8
71.04990	0.2
71.94090	0.5
71.95247	0.6
72.93794	1.9
79.05505	1.7
80.05025	0.4
81.03398	0.3
81.07059	5.4
82.06573	0.7
83.04984	0.2
83.07371	0.3
83.08614	1.3
84.04489	0.3
84.08116	0.4
87.04453	0.3
89.73344	0.2
90.94844	0.4
91.05487	0.5
92.05840	0.2
93.05778	0.5
93.07042	0.3
94.07355	0.3
95.04979	1.1
95.08606	0.3
96.04510	0.5
96.05289	0.3
97.05273	1.9
97.06561	0.3
98.06065	2.3
98.09704	1.7
108.08136	2.5
108.08841	0.3
109.06516	4.3
109.10154	0.6
110.06052	3.1
110.06805	0.3
110.10455	0.2
111.06827	2.7
112.96719	0.3
113.96411	1.2
123.04365	0.2
124.07634	0.5
125.08394	0.7
126.05508	0.2
126.09167	2.9
130.96356	0.4
131.97418	0.6
136.03952	0.3
136.07576	0.6
137.05966	0.4
137.09593	0.3
138.05515	0.6
139.06297	3.6
139.79376	0.2
152.07072	0.3
154.08635	100.0
155.07040	0.3
155.09016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03934	2.8
54.11191	1.7
55.01872	2.5
55.05518	17.2
57.03413	3.4
57.07076	3.1
58.32144	1.6
59.05000	10.8
62.27884	2.1
65.03928	5.0
67.05500	11.0
69.03408	5.0
69.06735	2.1
69.07071	36.2
69.46304	6.9
69.46727	5.4
70.95864	2.6
71.04993	41.2
71.08572	1.7
73.06553	20.0
79.05080	1.9
79.05496	29.4
81.07057	100.0
83.04970	10.7
83.08595	3.3
85.06525	2.3
91.05479	11.8
93.03397	4.3
93.07049	64.4
95.04939	5.0
95.08611	27.6
97.06535	20.5
105.07036	2.4
107.04949	3.7
107.08594	63.1
109.06486	2.5
109.10160	17.1
111.04426	7.5
111.08076	13.9
111.96877	2.4
118.77910	1.6
119.08588	2.6
125.05934	4.0
125.09660	3.6
135.04391	6.5
135.08035	2.0
135.11688	45.5
136.12076	1.9
153.05435	7.4
153.09123	4.7
153.12766	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03933	6.6
55.05517	18.2
56.96556	3.0
57.03442	4.2
57.07068	7.7
59.05006	18.9
65.03941	14.6
67.05506	21.3
69.03429	7.5
69.06726	3.4
69.07074	35.8
69.44258	4.5
69.44662	11.8
70.94241	4.3
70.95834	3.9
71.04995	31.0
73.06563	19.3
79.05502	43.2
81.03419	2.7
81.07060	100.0
83.04973	12.9
83.08607	10.0
85.06548	3.4
90.95487	2.2
91.05469	20.1
93.03412	13.6
93.07052	78.0
95.04975	7.4
95.08610	35.0
95.92139	2.4
97.06534	35.1
105.07046	5.8
107.04948	7.6
107.08598	91.6
109.06485	9.8
109.09475	3.7
109.10163	52.8
110.03639	3.4
111.04444	18.6
111.08087	9.6
111.96867	4.9
115.05443	2.5
119.06036	2.4
119.08591	3.2
121.06498	2.7
125.05974	17.0
125.09609	4.4
135.04443	17.9
135.08038	16.2
135.11697	57.6
136.03905	4.4
138.03133	4.4
153.01830	7.0
153.05464	21.3
153.09088	9.8
153.11504	3.8
153.12755	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	3.4
55.05515	8.9
57.07056	2.1
59.04995	8.2
65.03926	2.1
67.05480	4.9
67.73953	1.4
69.07070	12.7
69.77685	6.1
71.04996	41.3
73.06188	1.7
73.06562	18.4
79.05493	19.9
81.07057	100.0
83.08611	2.9
91.05463	6.3
93.07043	44.2
95.08598	7.5
97.06531	4.7
97.27139	1.4
97.27887	1.6
105.04550	1.8
107.08591	37.1
109.10146	6.3
111.08108	2.8
116.56766	1.4
135.11693	33.8
146.78360	1.6
153.12756	14.8
160.23087	1.5
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
50.16652	0.7
53.03961	1.1
55.05523	3.4
57.03440	2.0
57.07079	2.0
59.05016	0.8
65.03952	0.9
67.05511	10.1
69.07069	9.3
69.64114	2.9
69.64521	1.2
69.68609	0.7
71.05013	2.0
79.05504	9.1
79.41299	0.6
81.07071	12.0
83.04995	5.6
83.08630	2.8
91.05490	8.3
93.03422	1.0
93.07054	67.5
95.05000	0.9
95.08617	60.1
97.06543	9.8
105.07064	3.1
107.08607	100.0
109.06558	1.5
109.10166	14.4
111.04464	0.7
111.08072	2.0
135.11707	45.5
153.05421	0.7
153.12761	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.52061	0.5
53.03936	2.1
55.05515	5.0
57.03443	1.4
57.07063	1.7
59.05007	1.2
65.03938	2.4
67.05511	10.6
69.03409	1.3
69.07070	7.9
69.96127	3.0
70.94255	0.8
71.04987	2.2
71.45824	0.6
73.06550	1.2
79.05496	10.3
80.45660	0.6
80.50789	0.6
81.07059	12.7
83.04980	4.2
83.08622	3.1
91.05490	10.0
93.03453	1.1
93.07045	71.9
95.04971	5.2
95.08610	59.7
95.09261	1.0
97.06533	7.1
105.07026	2.4
107.04932	1.2
107.08597	100.0
108.08918	0.9
109.06499	1.6
109.10153	9.9
111.04469	1.6
111.08091	1.5
125.06004	1.5
125.09653	1.4
135.04424	3.7
135.08067	1.4
135.11691	44.0
153.05472	1.1
153.09114	1.4
153.12753	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00300	1.3
53.03946	4.2
55.01866	1.5
55.05511	18.7
57.03460	1.0
57.07077	1.6
59.05010	6.2
62.15098	1.0
65.03944	5.8
67.05503	20.2
69.03418	2.8
69.07072	10.6
70.70811	2.0
70.94238	1.6
70.95866	1.1
71.04997	43.0
73.06559	24.0
79.05495	34.9
81.07059	100.0
83.04979	4.8
83.08607	1.9
85.06480	1.3
91.05486	10.3
93.03413	5.3
93.07050	43.8
95.04972	41.4
95.08625	10.0
97.02866	1.5
97.06535	9.7
102.14632	1.1
105.07027	2.1
107.04967	4.3
107.08598	55.0
109.06525	3.6
109.10157	12.3
111.04427	11.1
111.04986	1.0
111.08077	7.3
111.96879	1.8
117.07027	1.8
119.08648	1.1
125.05999	2.5
125.09615	2.5
125.58381	1.0
135.04451	1.0
135.08086	5.5
135.11691	33.4
153.01923	2.2
153.05482	3.2
153.09145	5.9
153.12747	19.1
154.49673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Umbellulone
Peak:m/z	Relative Intensity
53.00304	0.3
53.03945	0.6
55.01866	1.0
55.05503	0.8
56.96572	2.5
57.03430	0.8
59.05004	0.4
61.02923	0.3
65.03937	3.4
67.05510	3.7
68.45308	0.3
68.95302	1.6
69.03418	0.5
69.07063	0.7
71.88800	0.3
73.02905	0.9
79.05496	2.0
81.03426	0.7
81.07061	9.3
83.00788	0.3
83.04991	0.3
85.02889	0.7
89.00780	0.6
89.46586	0.3
90.01529	0.4
91.05486	14.0
93.07043	1.5
94.04193	2.9
95.04963	1.9
95.08609	3.0
96.01567	0.3
97.02911	0.3
97.99142	0.3
98.01289	0.7
98.47131	0.6
98.97576	2.1
100.51566	0.3
101.00780	0.8
104.01323	0.4
105.03477	0.3
105.07035	1.9
107.04969	3.5
107.08604	1.7
107.47630	1.5
107.52354	0.3
109.06521	100.0
109.10151	1.6
110.01302	1.5
110.06883	1.3
110.97612	0.3
111.04429	0.3
114.02045	0.2
114.54049	0.3
116.48150	0.7
116.98615	0.5
119.01795	2.3
119.06070	6.8
123.04433	2.9
123.08076	1.7
123.11697	1.6
128.02313	1.9
130.52617	0.6
131.84177	0.3
133.06503	0.3
133.10159	1.2
137.02841	0.5
139.53085	0.6
140.00145	0.3
151.02847	0.3
151.03929	2.7
151.05867	0.3
151.07579	2.6
151.08627	0.5
151.11182	5.5
151.14885	0.3
154.90753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03939	1.6
53.16084	0.9
53.82371	0.7
55.05511	6.7
56.96568	7.6
57.03431	2.4
57.07057	2.1
57.32754	0.9
61.02919	1.3
63.10093	0.7
65.03918	1.8
65.42622	0.7
67.05505	80.5
68.00258	0.8
68.95278	2.6
69.03395	1.7
69.07063	4.8
70.54181	2.4
73.02901	2.8
79.05495	6.7
81.03421	1.6
81.07058	48.6
83.08618	1.8
89.06052	0.8
90.01534	0.8
91.05481	6.6
92.51797	1.1
93.07039	8.8
95.04971	3.6
95.08607	100.0
96.01553	1.4
96.08938	0.9
97.02905	1.8
97.99171	1.1
98.01302	1.7
98.97601	4.2
100.51530	0.8
101.00762	1.9
104.01260	1.4
105.07031	7.5
107.08603	6.7
107.47615	1.4
109.02831	0.9
109.06512	12.0
109.10156	55.5
110.01281	7.1
110.06045	0.7
116.98636	2.9
119.01803	6.4
119.04919	0.8
119.06107	1.0
121.52022	1.2
123.04419	2.6
123.08083	4.0
123.11717	2.2
128.02301	6.8
130.52599	2.4
131.73712	0.7
133.10104	5.0
134.06010	1.3
139.53104	1.9
140.47223	0.7
142.03419	1.2
146.99654	0.9
151.02835	1.4
151.03906	3.6
151.07539	7.1
151.08551	1.2
151.09589	1.0
151.10033	1.0
151.11194	8.9
151.14847	12.4
152.07076	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	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.26854	1.6
51.39649	1.6
53.03947	7.0
55.01876	14.5
55.05513	22.0
56.96566	4.9
57.03434	6.7
57.07071	4.2
59.05009	23.9
64.09827	1.3
65.03948	19.7
67.05515	32.3
68.99797	2.5
69.03442	16.4
69.06726	2.6
69.07074	38.0
69.19458	1.5
70.94270	9.9
70.95870	3.6
71.02448	1.4
71.05003	13.2
71.29565	3.2
73.06567	3.7
79.05502	46.2
79.05968	2.5
80.05013	1.6
81.03426	3.9
81.07065	50.9
83.04990	22.6
83.08646	7.3
85.06564	5.5
85.10815	1.3
86.36699	1.4
88.95309	3.0
91.05495	29.4
93.03409	17.1
93.07053	58.3
94.75439	1.5
95.04993	14.4
95.08620	30.2
97.02885	2.3
97.06544	23.7
105.04538	2.3
105.07030	16.0
107.04984	14.0
107.08606	100.0
109.06523	13.2
109.10169	48.8
110.03638	3.7
111.04459	35.2
111.08079	22.5
111.96869	7.6
115.05502	2.0
117.07030	5.4
119.06035	2.4
121.02832	2.0
123.08100	22.0
125.06020	21.2
125.09644	24.1
126.06484	1.8
129.97922	3.4
133.07642	3.0
135.04442	15.3
135.08075	53.4
135.09128	2.6
135.11720	28.6
136.03964	3.3
138.03117	2.0
138.06830	2.3
149.52179	1.6
153.01869	5.3
153.05534	16.3
153.09126	35.0
153.12759	48.7
154.05034	2.4
154.08664	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	151.1119
Annotation	4-Isopropyl-3-methylphenol
Peak:m/z	Relative Intensity
53.03939	0.9
55.01871	1.2
55.05519	3.1
57.03436	0.7
57.07085	3.0
59.05003	9.1
65.03938	1.6
66.34615	0.5
67.05511	28.9
69.03436	4.7
69.07075	27.7
69.74445	2.8
71.05000	1.5
79.05495	8.7
81.07064	45.7
83.08600	0.7
91.05482	10.6
93.07051	5.9
94.04187	1.9
95.04984	10.6
95.08605	10.4
105.07044	14.9
107.04987	2.7
107.08604	26.0
108.05727	1.2
108.56541	0.6
109.06528	100.0
109.10165	83.8
110.06844	0.8
110.10528	0.7
117.06938	0.7
119.06074	1.6
121.10158	1.5
123.04424	1.8
123.07345	0.5
123.08077	20.5
123.11719	30.2
131.08609	0.7
133.10147	13.4
151.03903	1.3
151.07530	2.5
151.11198	26.0
165.87289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
55.05516	8.9
55.96663	1.6
56.96552	2.1
57.07057	6.5
57.39349	1.5
59.04989	6.0
65.03931	6.9
67.05507	64.6
69.03438	12.5
69.07057	6.8
70.86402	4.3
79.05492	12.8
81.07057	100.0
83.04970	1.7
91.05480	23.9
93.07050	17.4
94.04175	1.9
95.04373	2.6
95.04974	38.1
95.08610	19.9
103.78957	1.4
105.07035	38.5
107.04954	1.8
107.08598	19.2
108.05702	1.9
109.06519	74.1
109.10162	36.1
119.01841	2.1
119.04932	3.6
119.06038	3.4
121.10159	3.9
123.04404	4.5
123.08097	12.0
123.11714	66.5
131.08572	4.2
133.10138	36.1
142.04346	1.4
151.03897	6.5
151.07567	9.1
151.09973	2.6
151.11188	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03941	4.3
55.01868	2.8
55.05514	11.2
56.96564	5.1
57.03429	4.3
57.07062	4.8
58.27465	1.8
59.04992	6.4
64.35798	1.8
65.03930	10.9
67.05508	52.0
67.54265	1.8
68.95295	2.8
69.03432	18.1
69.07082	11.3
69.79963	8.1
71.04961	2.5
79.05505	15.3
81.03426	2.8
81.07061	99.7
83.04949	2.4
83.54313	2.2
83.97071	2.0
91.05482	30.9
93.07049	25.4
93.17146	2.1
95.04977	30.5
95.08616	21.2
97.06545	3.3
105.00161	7.0
105.07042	40.3
107.04974	3.5
107.08613	22.6
109.06522	100.0
109.10161	39.0
110.01312	2.1
119.01810	2.6
119.04948	6.6
119.06096	3.5
121.06486	2.6
121.10149	2.8
123.01261	2.6
123.04448	23.9
123.08092	19.4
123.11713	53.7
128.02277	2.1
131.08592	3.1
133.06558	2.8
133.10144	33.9
151.02759	3.5
151.03912	27.3
151.05000	3.0
151.07553	17.4
151.11203	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03938	0.9
55.01858	0.7
55.05498	1.2
56.96556	0.9
57.03427	0.7
57.07075	0.9
59.04996	1.1
65.03926	0.7
66.55138	0.5
66.55523	0.4
67.05506	6.2
67.58965	0.4
68.93286	0.4
68.95345	0.4
69.03430	2.1
69.07058	1.4
69.33317	0.8
69.33733	2.4
79.05495	2.9
81.03413	0.5
81.07065	10.0
83.04981	0.6
91.05486	4.8
93.07054	3.3
95.04972	2.9
95.08620	3.8
97.06574	0.5
98.97553	0.6
105.07041	8.2
107.08596	4.8
108.09332	0.5
109.06524	11.7
109.10169	8.3
109.10853	0.3
119.01835	0.6
119.04932	0.8
119.06058	0.5
120.78794	0.4
121.06467	0.7
121.10134	2.1
123.04415	1.1
123.08081	4.2
123.11691	3.5
128.02324	0.7
133.02878	0.5
133.06512	0.5
133.10130	3.2
136.08838	1.4
151.03920	6.8
151.07660	3.3
151.11188	100.0
152.11531	1.7
162.08345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
50.36536	1.0
51.02372	1.6
53.00293	1.2
53.03947	5.3
55.01876	8.0
55.05512	19.6
56.96540	1.2
57.03436	2.8
57.07063	4.4
59.04998	2.6
61.85427	1.2
65.03924	4.5
67.05506	45.4
68.99792	16.8
69.03426	8.6
69.07062	5.4
70.60793	2.6
71.01339	1.5
71.04977	2.5
74.97187	1.1
77.03923	1.2
79.05067	1.9
79.05495	31.2
80.06268	1.7
81.03454	4.9
81.07056	100.0
83.04974	9.4
83.08611	2.0
91.04977	1.9
91.05487	24.9
93.07047	23.3
95.04964	20.4
95.08607	36.2
97.06485	1.8
97.37012	1.2
98.97569	1.3
103.05487	3.7
105.03425	1.2
105.04561	1.3
105.07031	79.8
107.04967	6.4
107.08595	37.4
108.02061	1.3
108.05737	2.4
109.02871	2.8
109.06517	54.4
109.10157	25.8
119.04943	1.7
119.06081	3.1
121.10144	3.1
123.04427	16.6
123.08071	25.5
123.11703	39.5
131.08609	1.8
133.02818	1.1
133.06499	12.4
133.10135	19.6
135.04395	1.1
151.02794	2.2
151.03938	14.9
151.05035	2.6
151.06549	1.1
151.07550	31.2
151.09985	2.2
151.11186	43.3
152.06955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03936	1.1
55.05271	1.3
55.05516	19.2
56.96548	1.2
57.03443	1.0
57.07063	2.8
59.04987	2.2
65.03931	2.5
67.05507	17.7
68.79075	0.8
69.03418	2.4
69.07069	2.4
71.04993	1.3
71.07362	0.7
71.07747	1.5
79.05493	9.5
81.03401	1.1
81.07065	38.6
85.06516	0.7
91.05484	14.9
93.07059	8.0
94.04223	1.5
95.04973	7.8
95.08613	13.3
96.51182	0.8
97.06525	2.9
105.06406	1.4
105.07044	14.5
106.04158	1.1
107.04965	4.1
107.08603	22.2
109.06525	100.0
109.10165	28.7
110.06857	1.5
112.37364	0.9
119.06055	4.3
121.10127	1.2
123.04419	5.6
123.08095	7.0
123.11716	21.3
125.34117	0.7
129.44868	0.7
133.06442	0.8
133.10138	10.7
151.03929	3.6
151.07576	4.4
151.11205	25.7
167.87607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03946	1.8
53.07400	0.8
55.01864	2.1
55.05519	4.6
56.96560	1.7
65.03617	1.8
65.03944	24.8
67.05499	3.1
69.07069	7.3
70.22250	0.8
70.73204	2.5
79.05070	1.5
79.05499	17.5
81.07063	10.6
83.08611	1.4
89.03918	2.5
91.05484	17.0
93.03411	6.6
93.07045	45.4
95.04962	2.2
95.08599	2.5
98.03672	1.3
103.05495	5.6
105.04510	1.1
105.07049	6.2
107.04964	1.4
107.08598	25.9
108.04457	1.6
109.06496	1.8
111.04445	3.9
116.06240	1.5
117.03409	1.1
119.04974	1.0
119.08578	1.0
121.02871	39.2
121.03983	9.6
121.06500	23.4
121.10145	14.1
122.03223	1.0
129.07004	1.4
131.04924	7.9
131.08569	3.9
134.07201	1.0
134.08171	0.9
140.24501	1.0
147.46439	1.0
149.02351	100.0
149.06039	5.0
149.07062	1.5
149.09624	14.5
149.13261	16.5
150.02704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	2.8
55.01861	2.2
55.05501	4.3
56.96570	1.5
65.03940	32.3
67.05505	18.8
67.31020	1.1
69.07064	9.0
70.86053	3.0
79.05495	24.8
81.07059	42.1
83.08601	3.4
91.05481	13.9
93.03421	6.5
93.07045	46.1
95.04984	2.2
95.08634	7.4
98.03653	2.7
103.05462	5.8
105.07014	4.2
107.04964	7.0
107.08598	34.8
108.04475	4.0
111.04445	4.8
112.48528	1.2
119.04957	1.2
121.02866	44.1
121.03973	12.7
121.06542	5.8
121.10144	14.1
124.98386	1.4
126.05492	2.1
131.04919	6.7
149.02348	100.0
149.05980	5.2
149.07054	2.6
149.09616	11.7
149.13263	35.7
150.02658	1.6
150.05469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	3-Methylphenylacetic acid
Peak:m/z	Relative Intensity
53.03946	2.1
55.01874	2.1
55.05512	2.7
55.17424	0.6
57.03434	0.8
57.07079	1.2
59.05005	1.0
65.03940	1.5
67.05505	9.3
69.03441	2.0
69.07064	1.6
69.71706	3.6
71.04996	0.9
71.12827	0.5
77.03918	1.0
79.05067	0.9
79.05497	12.5
81.03441	0.9
81.07060	27.9
83.04979	1.4
91.05484	10.0
93.07047	13.5
95.04980	5.9
95.08604	6.3
97.06531	0.6
98.21564	0.7
103.05477	4.2
105.07037	95.8
106.07378	1.1
107.04971	1.5
107.08602	12.9
107.61446	0.7
109.06522	19.2
109.10152	10.1
115.05446	2.0
119.01801	0.9
119.06017	0.6
123.04433	1.8
123.08054	3.9
123.11697	9.3
127.07596	0.8
131.04933	0.8
131.08597	0.9
133.06500	100.0
133.10139	10.5
134.06827	0.8
143.98619	0.5
151.03966	3.7
151.07555	25.5
151.11192	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.9
51.99892	0.8
53.03943	2.5
55.01883	4.0
55.05518	3.8
55.52898	0.5
56.96556	0.9
57.03442	0.8
57.07079	1.1
62.78929	0.6
65.03944	28.8
65.04287	1.5
66.04263	0.8
67.05502	2.5
69.03425	1.7
69.07065	5.4
69.36158	1.0
69.36558	4.1
78.04721	2.1
79.05495	13.0
81.03419	0.7
81.07061	10.0
87.10156	0.6
89.03911	3.1
91.05483	20.9
92.05771	0.9
93.03414	6.8
93.07050	39.3
95.04958	4.3
95.08611	3.0
98.03673	1.5
103.05476	13.3
105.03405	1.1
105.04553	1.0
105.07034	13.6
106.04179	4.3
107.04996	3.4
107.08602	31.7
108.04487	2.2
109.06512	2.9
111.04450	4.2
116.06248	1.8
117.03378	2.6
119.04928	1.3
119.06079	1.0
119.08588	3.2
121.02876	41.1
121.03980	12.1
121.05651	1.3
121.06507	27.8
121.10150	37.9
123.08068	1.5
126.05495	1.2
129.07005	0.8
131.04942	13.2
131.08588	3.8
133.07623	1.2
134.03641	2.1
134.07269	0.8
134.10951	1.0
135.04300	0.8
149.02354	100.0
149.05995	19.6
149.07060	1.4
149.09628	17.2
149.10747	1.4
149.13277	19.8
150.02707	1.5
150.05545	0.8
167.03403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03931	2.1
55.01863	1.9
62.74857	0.7
65.03943	4.1
77.03919	1.0
79.05487	2.3
91.05483	16.7
93.03414	1.0
93.07036	7.8
95.04945	1.0
103.05482	5.0
105.07036	3.1
107.04951	3.0
107.08581	1.8
108.05745	1.0
109.06527	4.8
115.05489	1.0
116.06255	4.4
119.08503	0.5
121.02905	6.8
121.06509	100.0
121.10159	2.4
122.06831	1.6
129.07042	1.6
131.04933	6.2
131.08589	1.6
131.95680	0.5
149.02357	14.9
149.03505	1.0
149.05995	2.0
149.09628	25.1
149.13258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01875	8.6
55.05509	2.2
56.96556	3.7
59.04707	1.4
59.05004	28.3
61.02921	1.1
61.28794	0.9
65.03609	1.9
65.03941	30.1
67.05495	1.2
69.03429	1.5
69.63572	5.9
73.06558	30.3
79.05500	7.9
80.05045	1.0
81.07060	1.4
84.47218	0.9
91.05483	17.0
93.03408	6.6
93.07048	17.2
95.04956	2.8
95.15331	1.0
98.03657	1.3
98.20864	2.1
103.03994	1.2
103.05483	12.0
105.07050	10.0
107.04967	6.1
107.08607	7.5
108.04488	1.6
109.06534	12.7
111.03786	1.0
111.04450	4.1
116.06274	1.2
119.08642	1.2
121.02873	44.3
121.03976	12.6
121.06510	57.5
121.10140	8.9
122.06837	1.5
131.04933	10.1
131.08559	3.9
149.02350	100.0
149.05988	11.5
149.07069	1.2
149.09628	30.9
149.13307	1.7
150.02682	1.1
167.03392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
53.07400	0.8
55.01864	2.1
55.05519	4.6
56.96560	1.7
65.03617	1.8
65.03944	24.8
67.05499	3.1
69.07069	7.3
70.22250	0.8
70.73204	2.5
79.05070	1.5
79.05499	17.5
81.07063	10.6
83.08611	1.4
89.03918	2.5
91.05484	17.0
93.03411	6.6
93.07045	45.4
95.04962	2.2
95.08599	2.5
98.03672	1.3
103.05495	5.6
105.04510	1.1
105.07049	6.2
107.04964	1.4
107.08598	25.9
108.04457	1.6
109.06496	1.8
111.04445	3.9
116.06240	1.5
117.03409	1.1
119.04974	1.0
119.08578	1.0
121.02871	39.2
121.03983	9.6
121.06500	23.4
121.10145	14.1
122.03223	1.0
129.07004	1.4
131.04924	7.9
131.08569	3.9
134.07201	1.0
134.08171	0.9
140.24501	1.0
147.46439	1.0
149.02351	100.0
149.06039	5.0
149.07062	1.5
149.09624	14.5
149.13261	16.5
150.02704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00851	0.6
51.75821	0.5
55.05498	0.6
56.96566	3.0
57.50208	0.7
65.03943	7.1
67.05502	1.9
71.12560	1.5
91.05482	81.3
92.40443	0.7
105.03724	1.5
105.04459	0.6
105.07050	2.7
109.10184	0.9
114.04208	1.0
117.07014	0.7
119.04945	100.0
119.08585	2.3
120.05284	1.3
126.06057	2.3
135.06531	2.0
147.04414	58.4
147.08083	1.8
147.11682	2.2
148.04665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03930	3.8
55.01870	14.1
55.05500	6.0
56.27531	2.0
58.18946	1.6
65.03941	24.0
67.05507	3.8
69.03430	4.7
69.16636	1.9
69.96260	8.7
74.14178	1.8
79.05496	32.8
81.07037	4.8
91.05484	54.5
93.03374	3.6
93.07046	44.6
95.04957	5.4
103.05466	12.1
105.04502	2.3
105.07031	35.1
107.04975	12.5
107.08600	49.4
109.06535	7.9
111.04437	2.7
116.06252	7.5
119.06087	2.0
119.08567	5.7
121.02867	36.7
121.03975	9.8
121.06509	43.1
121.10148	20.8
129.06961	2.0
131.04912	7.6
131.08575	25.0
149.02350	80.0
149.04890	2.8
149.06010	14.7
149.09622	100.0
149.13277	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	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.51952	1.8
53.03946	4.3
55.01880	14.9
55.05492	5.2
61.41857	1.6
62.17003	2.0
65.03936	26.0
65.16164	1.9
67.05493	5.8
69.03411	3.3
69.07078	2.8
69.74332	8.4
71.04998	1.9
73.52762	1.9
77.03928	2.5
79.05497	43.8
81.07053	4.1
87.34723	1.7
91.05476	44.3
92.96918	1.9
93.03396	6.8
93.07043	51.0
94.07356	2.4
95.04984	5.8
98.21459	1.9
100.09154	1.9
103.05463	10.0
105.07030	49.9
107.04948	28.4
107.08594	65.2
109.06522	5.4
111.04434	3.6
116.06239	4.4
119.08556	3.6
121.02869	35.3
121.03959	10.2
121.06493	19.8
121.10136	24.1
129.07022	3.9
131.04929	5.7
131.08557	32.5
149.01147	3.6
149.02341	71.2
149.03503	3.9
149.05975	8.1
149.09622	100.0
149.13269	6.6
167.03329	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03962	2.3
55.01878	14.9
55.05501	3.6
57.03416	2.4
61.58127	2.0
65.03934	8.8
67.05517	9.2
69.62852	10.7
79.05078	3.2
79.05501	42.5
80.39780	1.8
81.07074	2.9
83.04973	2.6
91.05485	35.6
93.06485	2.9
93.07047	41.7
93.07629	2.8
95.04974	4.0
97.89613	2.1
103.05466	5.7
105.07040	52.1
107.04955	23.6
107.08601	65.3
108.08945	2.0
109.06522	3.7
114.89382	2.1
116.06249	3.9
119.08607	3.9
121.02873	15.0
121.03978	3.6
121.06494	12.7
121.10124	13.6
129.07021	4.8
131.04935	5.4
131.08559	32.8
134.07285	2.0
149.02339	31.2
149.03485	2.6
149.05995	3.6
149.09630	100.0
156.04002	2.3
166.47638	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.23327	1.3
53.03942	2.6
55.01863	1.9
55.05516	2.1
62.31820	1.1
65.03941	7.4
69.03419	5.6
69.72781	5.4
74.41645	1.1
79.05498	12.9
81.07059	3.2
86.18306	1.0
91.05482	42.7
93.07042	25.5
95.04951	2.9
103.05460	5.4
105.07035	28.4
106.07814	2.4
107.04948	4.3
107.08586	5.9
109.06508	9.3
115.05446	4.8
116.06245	12.9
119.06023	1.5
119.08567	5.5
121.02859	10.2
121.03941	2.3
121.06506	29.7
121.10143	30.8
123.08060	4.0
126.31689	1.0
129.07016	5.3
131.04948	1.9
131.08562	21.8
133.06595	1.2
133.07620	3.4
134.07262	2.2
137.62819	1.1
147.08069	2.4
149.02348	21.1
149.09621	100.0
150.09978	1.4
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
65.03943	8.3
69.65742	4.8
73.78177	0.7
91.05481	78.4
91.33842	0.8
92.05808	0.8
103.00037	0.7
105.07011	1.2
115.62303	0.8
119.04943	100.0
119.08547	1.4
120.05302	1.5
147.04404	53.5
148.04700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75159	0.5
65.03938	7.1
69.03447	0.6
91.05485	82.3
92.05836	1.3
99.15993	0.5
105.07027	2.0
107.04938	2.8
119.04947	100.0
119.08578	2.9
120.05273	1.6
123.96500	0.6
147.04416	59.3
147.11678	1.5
148.04755	1.4
148.07567	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.65062	0.6
58.54245	0.7
60.57310	0.8
65.03936	6.3
69.03416	1.2
71.23862	1.5
72.53331	0.6
91.05482	77.7
92.05840	0.9
97.25520	0.7
105.07023	1.4
114.74997	0.8
119.04944	100.0
119.08607	2.8
120.05257	1.4
133.04002	0.8
146.39154	0.7
147.04413	56.5
147.11728	1.6
169.93065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0926
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
50.68223	1.1
51.72898	1.1
52.06041	0.9
53.03899	1.1
53.32679	0.9
56.05035	2.0
56.96552	2.8
57.03419	1.3
58.06587	1.1
60.05364	1.5
60.05653	23.4
67.95377	1.1
68.05000	1.1
69.03436	8.5
71.22311	2.5
72.08139	2.3
73.02915	1.0
82.84361	1.1
83.04915	1.2
83.06101	2.4
84.04049	1.1
84.04510	11.2
84.08126	3.2
85.02898	1.6
86.06073	74.8
87.04472	100.0
88.04798	1.4
97.02868	1.6
98.97576	3.3
100.07629	1.4
101.06020	2.3
104.07114	16.6
105.02151	1.4
111.05573	10.6
113.01791	1.1
121.01620	1.0
121.88402	1.0
123.03236	1.5
125.01810	1.2
128.08203	12.0
129.06627	3.7
130.05002	4.0
146.08296	2.8
146.09248	80.6
154.37741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66887	0.5
53.03944	0.6
59.27278	0.5
60.52993	0.5
65.03946	6.5
70.73238	0.7
70.73551	0.6
77.91649	0.4
79.05464	0.6
79.43330	0.5
79.87075	0.5
91.05487	80.3
92.05815	1.4
92.87345	0.4
105.07043	2.0
119.04949	100.0
119.08582	3.6
120.05281	1.7
123.96504	0.7
147.04419	60.0
147.08067	1.6
147.11682	1.8
148.04704	0.7
163.69254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05512	0.9
60.30807	0.6
64.92817	0.6
65.03936	7.7
69.03417	0.9
69.07085	1.0
69.96514	1.5
69.96927	2.2
72.18237	0.6
85.02904	0.7
91.05486	87.9
92.05807	1.1
103.01880	0.7
103.05473	0.8
105.07034	6.3
107.08582	0.8
116.30139	0.7
117.00790	0.6
117.07030	1.4
119.04949	100.0
119.08592	9.6
120.05257	1.8
129.07050	0.9
140.27330	0.7
145.10057	0.7
147.04420	64.1
147.08095	2.9
147.11687	5.3
147.99669	0.7
148.04718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.96558	1.5
65.03942	5.8
67.05514	0.8
70.41294	0.6
70.41635	2.0
72.25636	0.6
78.06797	0.6
91.05487	85.2
92.05833	1.3
92.95528	0.8
105.07041	3.4
119.04949	100.0
119.08588	4.1
120.05248	1.4
147.04419	60.2
147.08105	1.2
147.11684	4.4
148.04684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1224
Annotation	7-Octene-1,6-diol
Peak:m/z	Relative Intensity
53.03933	8.9
55.01865	4.3
55.05513	19.2
55.81112	2.1
57.03423	7.0
57.07082	2.3
67.05507	58.2
67.16798	1.9
69.54106	9.4
71.01339	2.3
71.04996	34.3
79.05499	2.4
79.92264	2.1
81.03400	7.9
81.07058	16.3
83.08627	14.7
84.91351	1.9
85.02917	9.9
85.06544	46.3
91.05479	6.8
99.03848	4.4
99.04456	63.4
100.07619	2.5
105.07040	18.8
109.10162	52.7
110.82017	1.9
115.05472	3.1
117.07027	11.0
127.03916	17.1
127.11195	100.0
130.07820	11.9
130.26735	2.1
139.04015	2.1
145.05005	6.9
145.06474	2.8
145.10112	39.6
145.12209	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
55.05508	10.7
57.07074	11.7
59.04986	2.5
60.46972	1.1
67.05502	6.4
69.03433	14.9
69.07053	3.9
71.01347	1.6
71.04996	67.1
71.56409	1.2
73.06557	9.1
79.05486	2.9
81.07038	1.7
83.04986	7.3
83.08620	7.5
84.08140	2.2
85.02900	2.3
85.06544	31.6
87.15250	1.3
91.05486	2.1
97.02890	20.7
97.06509	2.9
97.10164	10.0
98.06071	3.5
99.65058	1.3
101.00885	3.5
107.08601	25.5
119.01886	6.3
125.02358	29.3
125.09642	16.5
128.06218	5.3
143.03398	100.0
143.10675	4.1
144.10193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01859	1.5
55.05511	18.5
57.07080	17.2
59.04989	5.7
62.63732	1.7
65.03945	2.2
67.05504	8.0
69.03432	12.2
69.07053	3.0
69.68049	9.1
71.04993	100.0
73.06557	15.2
77.43416	1.6
79.05482	5.4
81.07053	4.9
81.98919	1.5
83.04997	14.0
83.08612	11.4
85.06543	49.2
91.05489	2.9
97.02882	6.3
97.10168	15.0
97.40004	1.4
98.06030	1.8
103.58335	1.6
107.07877	2.4
107.08594	41.7
117.53931	1.5
119.01893	2.8
125.02355	14.9
125.09629	25.9
128.06218	2.9
143.03395	46.1
143.10661	8.8
164.94635	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77980	2.2
55.05510	18.4
57.07080	12.4
57.93690	2.6
58.57320	2.2
59.04998	2.5
62.84075	2.1
65.38420	2.3
67.05497	9.4
68.52833	2.2
69.03442	15.3
69.07064	8.4
70.85647	4.5
71.04996	86.4
73.06554	9.5
79.05467	5.6
83.04996	11.4
83.08601	10.1
84.08130	4.1
85.06546	39.7
89.82704	2.2
91.05439	3.1
97.02883	18.8
97.10201	13.2
98.06024	3.0
101.00888	4.0
107.08611	33.7
119.01894	4.2
122.95644	2.2
125.02353	29.1
125.09616	17.5
128.06253	4.9
133.90323	2.7
143.03403	100.0
143.04529	5.4
143.08633	3.6
143.10678	8.5
144.03781	4.2
144.13818	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01875	2.3
55.05514	16.0
57.07089	15.1
59.04961	2.2
67.05498	9.1
69.03433	14.1
69.07052	3.4
69.66058	10.6
70.06590	2.1
71.04997	99.8
73.06565	12.1
79.05486	5.6
81.07050	3.2
83.04971	7.1
83.08619	10.5
84.08129	4.6
85.06545	40.2
95.13348	1.5
97.02898	20.0
97.06524	2.2
97.10170	13.9
98.06091	2.3
101.00883	3.9
105.07055	2.2
107.08608	35.3
111.97049	1.7
115.68588	1.8
119.01927	5.1
125.02355	23.2
125.09640	25.1
128.06218	4.6
139.99013	1.7
143.03404	100.0
143.08742	1.9
143.10698	8.6
144.06593	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99968	1.7
54.40389	2.0
55.01862	3.6
55.05310	1.8
55.05518	18.3
56.59706	1.9
57.07077	19.4
59.04987	6.0
60.95849	1.8
65.03949	1.8
66.34042	1.8
67.05500	9.3
69.03429	15.6
69.07072	2.3
69.70026	9.7
71.04993	100.0
72.95330	1.9
73.06557	15.9
79.05479	4.0
81.07047	4.7
83.04970	9.9
83.08607	10.3
85.06550	44.2
97.02887	17.1
97.10166	17.3
98.21491	3.4
101.00896	3.6
107.08597	36.1
119.01913	4.5
125.02357	17.7
125.09629	26.3
128.06215	4.6
140.80232	1.8
143.03400	67.5
143.10666	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95492	17.7
60.95127	15.9
69.82115	32.7
73.02918	5.9
82.99851	13.9
98.97576	8.4
100.97171	6.0
100.98091	18.1
101.00890	60.2
108.41502	5.7
108.78117	5.4
117.99146	5.8
118.99186	17.8
119.01913	100.0
119.98798	18.3
124.02438	12.1
128.49475	6.2
137.00198	14.4
137.02931	18.0
137.99799	9.5
142.03514	57.2
152.58595	5.6
160.04575	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	141.1274
Annotation	2,3,4-Trimethyl-hex-3-enal
Peak:m/z	Relative Intensity
53.03937	2.0
55.05509	21.9
57.03443	7.1
57.07090	7.4
60.04519	2.6
60.40640	1.4
67.05511	54.2
69.07069	3.4
71.01385	1.9
71.04998	90.7
71.08641	10.4
71.56636	2.1
79.05492	10.7
81.03429	6.6
81.07059	100.0
83.08630	2.8
83.43436	1.4
85.06544	11.4
95.04968	4.4
95.08605	10.8
97.06509	2.1
98.97582	3.6
99.08108	6.0
109.02892	15.3
113.02351	5.8
116.12723	1.4
123.04460	3.8
123.08088	2.6
123.11698	9.2
129.98260	1.7
141.01851	6.2
141.05496	4.9
141.06944	5.1
141.11768	1.7
141.12732	11.7
142.08665	1.5
142.12254	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17596	5.5
71.34707	12.1
82.99857	10.2
88.47895	5.2
100.73119	7.3
100.97179	6.1
101.00893	54.4
115.23181	7.2
119.01073	6.1
119.01924	100.0
120.66985	5.5
124.02399	5.8
131.17911	6.1
136.62035	4.9
137.02962	15.5
142.03513	54.4
158.19223	5.6
160.04646	12.3
161.24532	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10025	0.6
54.16379	0.6
54.69962	0.6
56.96571	13.5
70.75706	1.2
70.76038	0.7
71.95265	4.2
78.42262	0.6
90.88163	0.6
98.97594	100.0
99.97943	1.0
107.05216	0.6
116.98630	43.4
118.34232	0.6
134.99675	8.8
137.63446	0.5
140.00250	1.0
147.06097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98629	0.6
56.96567	15.8
62.81238	0.4
70.83277	1.1
71.95268	5.3
76.72705	0.5
98.97589	100.0
116.98627	38.3
134.99664	8.4
140.00246	0.5
153.00771	0.5
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
50.57204	0.3
53.03942	0.9
53.64143	0.3
55.01868	3.0
55.05513	2.3
56.96567	12.0
65.03944	6.3
67.01867	1.0
67.05510	1.7
68.99797	4.5
69.03423	1.3
69.49457	2.0
71.01344	0.9
75.16515	0.3
79.05498	0.6
83.04558	0.4
83.04993	4.7
86.01114	0.4
93.03418	4.5
93.07047	1.2
95.04970	2.1
95.08606	0.5
97.02885	1.6
97.06509	0.5
97.99191	0.7
98.97588	3.6
98.98477	1.0
111.04445	21.7
111.08096	0.5
116.98609	1.8
121.02882	1.8
121.03911	0.7
121.06524	0.3
134.99667	0.5
139.03905	100.0
139.11153	1.0
140.04285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	0.8
56.96569	14.4
60.47547	0.6
69.49517	1.7
69.49942	2.5
71.95274	4.7
72.13557	0.6
82.08438	0.5
88.36627	0.6
95.75034	0.5
95.91402	0.7
98.21487	1.1
98.97589	100.0
116.98626	42.4
134.99657	8.0
140.00218	1.3
153.00734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03934	2.5
55.05501	4.1
57.01914	1.2
57.07079	10.5
65.03919	1.1
67.05179	1.9
67.05506	25.7
69.07082	8.2
69.79977	4.2
69.80376	2.2
79.05486	10.2
81.07062	77.3
91.05492	5.7
93.07056	5.1
94.04198	9.5
95.04999	1.7
95.08614	100.0
96.08936	1.5
98.21481	1.1
109.06512	3.6
109.10176	11.0
122.03661	14.8
122.07320	6.1
137.02443	2.2
137.05981	40.8
137.09628	11.7
137.13274	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03941	1.8
54.68139	0.6
55.01879	4.2
55.05500	2.3
56.96301	0.9
56.96568	13.5
57.03435	0.6
59.05006	0.6
63.06203	0.5
65.03947	11.1
67.01884	2.7
67.05508	5.3
68.99794	7.9
69.03424	2.2
69.07062	1.2
71.01351	1.4
71.05038	0.6
71.05369	0.9
80.05857	0.5
81.07071	0.8
83.04985	7.6
91.05487	0.6
93.03412	9.5
93.07052	1.8
95.04988	3.2
95.08649	1.2
97.02907	2.9
97.06532	2.3
98.97592	10.7
98.98454	1.2
111.04449	22.1
116.98622	5.1
121.02889	2.5
121.04044	0.7
121.06492	0.9
121.10144	0.8
128.71852	0.5
134.99690	1.4
139.03909	100.0
139.11218	1.3
140.04321	1.1
140.07205	0.5
153.98380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02377	0.6
53.03936	2.0
55.01872	4.6
55.05530	2.4
56.96568	19.2
57.50836	0.6
58.68594	0.5
59.34869	0.5
65.03942	7.9
66.39870	0.6
67.01846	1.1
67.05492	2.2
68.00354	0.4
68.99790	5.0
69.03434	9.1
69.07068	1.2
71.01353	0.8
71.30005	0.8
72.95383	0.5
79.05484	1.5
83.04980	6.1
83.49737	0.5
91.05472	1.1
93.03410	5.2
93.07037	3.3
95.04971	8.4
95.08576	1.2
97.02888	1.7
97.06539	2.3
98.97581	6.9
98.98413	1.2
103.28198	0.6
105.04548	0.6
110.29306	0.5
111.04446	22.0
116.00273	0.5
116.98637	2.5
121.02893	4.8
121.10126	2.0
122.70386	0.6
134.99677	0.9
139.03902	100.0
139.07553	1.6
139.11189	6.4
140.04218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Salicylate
Peak:m/z	Relative Intensity
55.01867	0.7
55.05503	0.5
56.96570	4.8
65.03943	6.6
67.05492	0.6
69.03432	0.4
69.07056	0.7
69.99259	1.2
71.05009	0.4
79.05500	0.9
80.02644	0.6
80.21690	0.3
81.07063	0.4
83.04977	0.6
91.05531	0.2
93.03410	3.2
93.07050	1.3
93.59576	0.2
95.04977	1.4
95.08613	1.1
97.02892	0.4
97.06522	0.6
97.99187	0.4
98.96953	0.5
98.97585	6.1
98.98363	0.4
98.98471	0.4
111.04445	3.8
111.08057	0.6
116.98625	2.5
121.02875	100.0
121.10107	0.6
122.03221	1.2
134.99666	0.7
139.03917	8.6
139.07565	0.8
139.11179	0.9
139.12231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03946	1.2
55.05512	1.1
60.13498	0.7
67.05511	18.7
69.07052	1.3
70.84244	0.8
70.84568	1.0
73.42765	0.5
75.60268	0.5
77.03943	0.9
79.05495	3.2
81.07063	9.7
91.05482	8.9
93.07039	2.9
94.04182	4.7
94.07841	1.1
95.04967	1.7
95.08604	8.7
96.12084	0.7
107.04964	10.4
107.08595	1.6
109.06527	1.8
109.10162	28.3
117.07032	1.2
119.04891	0.8
119.08586	12.0
121.06520	6.0
122.03671	9.2
122.07294	68.4
123.07612	1.5
134.54546	0.6
135.08099	3.5
137.05994	21.0
137.09622	100.0
138.09949	1.1
149.07144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03948	1.0
55.05500	1.8
61.86401	0.8
67.05508	18.5
69.03440	1.5
70.52948	1.6
70.53279	1.4
79.05493	3.0
81.03407	0.9
81.07061	9.3
88.10516	0.8
91.05500	9.9
93.07041	3.2
94.04178	6.0
95.04970	1.8
95.08604	8.9
103.05446	1.3
103.75154	1.0
107.04961	12.3
109.06610	1.6
109.09472	1.7
109.10168	23.3
117.07045	1.8
119.08588	13.4
121.06520	4.9
122.03658	8.6
122.07296	69.0
135.08057	1.9
137.02431	0.8
137.06000	19.5
137.09625	100.0
138.09975	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01871	3.4
55.05499	4.8
55.49170	1.3
58.29372	1.5
63.67795	1.4
65.03931	4.1
66.04729	2.9
67.05509	46.9
69.03422	4.4
69.07062	2.6
71.00476	2.6
77.17885	1.6
79.05500	13.0
79.71872	1.4
81.03434	4.8
81.07063	32.9
81.13065	1.4
83.05000	3.3
91.04974	2.6
91.05492	35.8
93.07060	13.8
94.04193	22.8
95.04995	16.6
95.08612	22.9
105.04520	1.6
105.07005	1.9
107.04942	10.2
107.08591	5.6
109.05791	2.7
109.06525	39.2
109.09448	2.7
109.10165	28.9
117.07001	2.5
119.04967	1.5
119.06030	1.7
119.08586	13.4
121.06518	2.6
122.03663	42.8
122.07302	32.3
137.02376	5.2
137.05984	100.0
137.09625	94.0
137.13248	2.5
138.09145	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.83051	1.4
53.03946	4.6
55.01862	3.3
55.05498	3.8
57.07074	3.1
65.03955	4.3
66.04715	1.7
67.05186	2.8
67.05514	42.8
69.03423	4.3
69.07063	4.1
69.64037	9.0
69.64439	3.8
79.05504	12.8
81.03416	3.4
81.06592	2.5
81.07063	43.6
83.04977	1.9
87.03439	1.5
91.05488	28.1
93.07069	9.5
94.04202	20.6
95.04989	11.3
95.08619	36.1
107.04945	10.0
107.08610	4.2
109.02885	2.7
109.06519	32.8
109.10159	35.4
119.04956	4.4
119.06017	2.2
119.08584	11.6
121.06514	6.3
122.03669	27.2
122.07295	48.4
123.28117	1.9
135.08044	1.7
137.02458	3.7
137.05980	68.1
137.09628	100.0
137.13255	4.3
138.09988	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03939	3.5
55.01867	3.0
55.05508	5.3
57.03434	1.3
57.07067	1.8
65.03938	3.9
66.04713	2.7
67.05511	49.3
69.03424	3.2
69.07062	3.1
70.09990	4.1
70.37981	1.3
79.05503	14.2
81.03406	4.8
81.07060	31.7
83.04996	1.9
85.14429	1.2
91.04980	2.2
91.05490	29.9
92.05798	1.2
93.07045	11.1
94.04198	25.7
95.04971	17.1
95.08614	20.2
98.21457	1.5
103.05455	1.5
107.04971	8.6
107.08610	5.6
109.02837	2.7
109.06529	32.4
109.10161	32.8
117.07018	2.7
119.04932	3.3
119.06070	2.6
119.08589	12.5
121.06506	3.7
122.02765	1.8
122.03658	37.7
122.07285	27.4
137.02483	6.1
137.05983	100.0
137.09622	87.2
137.13234	2.2
138.05484	2.7
138.06444	1.5
138.09096	1.4
145.19994	1.2
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	Adenine
Peak:m/z	Relative Intensity
55.12986	0.2
55.65792	0.2
56.84455	0.2
58.86842	0.2
59.41655	0.2
67.02980	0.4
70.74901	0.4
70.75234	0.5
92.02501	0.5
94.04069	3.0
95.21044	0.2
100.42667	0.2
109.05151	0.4
119.03556	8.5
136.06195	100.0
137.04604	3.0
137.06564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86825	0.2
56.40646	0.1
56.96574	1.1
57.03433	0.3
67.02980	0.3
69.03424	0.2
70.96680	0.3
73.02959	0.2
78.52960	0.2
79.88086	0.2
81.01044	0.2
81.98595	0.2
82.01459	0.6
82.99876	0.2
83.00772	0.8
84.51287	0.2
91.05496	0.4
92.01321	0.4
92.02497	0.3
94.04070	2.6
95.00780	0.3
95.03465	0.2
98.97604	0.6
100.02489	0.7
101.00895	1.4
102.01010	0.2
103.00685	0.2
104.01297	0.5
109.05157	0.4
113.00886	1.0
113.01819	0.6
114.04018	0.2
119.01941	1.7
119.03561	7.2
119.04886	0.3
120.02022	0.3
121.01659	0.2
131.01921	2.8
133.03479	0.2
136.06197	100.0
137.04617	2.6
137.06517	0.7
142.03484	0.3
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
53.03954	0.9
55.01871	0.8
58.48902	0.3
65.03920	0.5
66.04723	3.4
68.57988	0.4
69.20016	0.5
69.20418	3.4
75.66425	0.4
77.03931	0.8
79.05489	3.4
81.07066	1.6
91.05489	2.2
94.04192	29.5
95.05014	0.8
105.03416	0.7
107.04975	1.7
108.09704	0.4
109.06564	0.4
122.03657	52.0
123.03983	0.7
135.04424	0.5
137.05984	100.0
138.06326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03964	0.7
55.01889	0.6
56.96572	0.5
65.03958	1.1
66.04717	2.9
67.05532	1.0
69.03439	1.1
69.19624	1.9
69.20050	1.4
69.51726	0.3
77.03957	0.6
79.05492	3.1
81.03406	0.4
81.07054	4.0
89.06271	0.3
91.05486	5.0
93.07059	0.9
94.04188	28.4
95.04451	0.5
95.04988	1.4
98.20702	0.6
102.77465	0.3
105.03411	0.6
107.04984	1.2
109.06494	1.8
119.04991	0.4
122.03651	45.1
123.03990	0.8
133.07794	0.3
135.04456	0.4
137.02422	1.2
137.05971	100.0
138.05397	0.5
138.06352	1.8
138.09140	0.5
138.14772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	8.5
55.05527	6.9
67.05518	2.5
69.07090	2.5
69.95541	2.6
69.95947	3.2
71.88519	1.0
72.14275	1.2
77.03928	2.9
79.05508	19.0
81.07065	2.5
91.05486	33.8
92.02629	2.1
93.07047	51.4
95.04967	7.1
103.05450	1.6
105.04514	3.7
105.07043	18.9
106.07834	1.7
107.04952	3.9
107.08600	100.0
108.62270	1.1
109.06532	4.7
117.06974	1.9
119.06057	4.0
119.08573	8.6
120.09357	2.9
126.17405	1.1
133.10106	1.5
135.04434	17.8
135.08093	5.4
135.11693	32.8
136.02180	4.5
136.06190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08791	1.1
53.03941	4.2
55.01874	1.9
55.05513	7.7
57.07089	1.4
65.03931	1.8
67.05499	5.1
69.07066	3.4
71.05550	2.4
71.80558	1.2
77.03941	1.6
79.05071	1.7
79.05500	22.2
81.07054	3.9
85.24034	1.2
88.44187	1.2
89.66027	1.2
91.04910	1.5
91.05486	35.7
93.07046	53.6
94.07837	1.4
95.04953	3.2
103.63473	1.3
104.76805	1.2
105.04478	2.3
105.07040	15.8
107.04933	1.5
107.08598	100.0
108.08931	1.7
109.06539	3.6
117.07018	1.7
119.06049	3.8
119.08565	8.0
120.09393	2.2
135.04424	3.9
135.08043	4.4
135.11702	32.3
136.06165	2.2
136.12051	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.45214	2.4
53.03939	7.4
55.01903	2.5
55.05517	12.5
57.03439	2.5
60.31890	2.6
62.98247	4.1
67.05507	14.9
69.03424	2.9
69.07051	5.9
71.17017	5.3
79.05066	4.3
79.05498	63.2
81.07065	17.6
91.05490	38.1
93.07046	100.0
95.04987	12.0
105.04543	4.2
105.07028	9.9
107.04958	7.2
107.08596	71.4
109.01071	3.2
119.03564	5.1
119.08637	2.8
121.01553	3.9
135.04433	20.8
135.05492	4.8
135.06519	2.8
135.08043	10.6
135.11690	53.5
136.02179	31.7
136.06186	71.0
136.07628	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01843	1.2
55.05511	3.5
65.03925	1.2
67.05507	1.2
69.07096	2.0
70.09999	3.7
79.05501	14.3
81.07052	1.3
91.05486	24.4
92.02625	0.9
92.06335	1.0
93.07050	41.4
95.04971	2.7
105.04537	1.9
105.07040	10.6
107.04974	1.1
107.08603	100.0
108.08887	1.0
109.06526	3.3
115.05482	1.9
117.07040	1.7
119.06068	2.6
119.08594	4.8
119.09365	1.1
120.09389	1.7
126.01985	0.9
135.04456	6.4
135.08051	9.2
135.09029	1.3
135.11700	20.8
136.02145	2.5
136.06204	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	6.9
55.05515	10.1
57.07074	2.4
65.03949	1.3
66.33320	0.9
67.05508	2.8
69.07059	2.9
70.48998	3.0
77.03941	2.3
79.05502	31.2
81.07055	3.9
91.05493	37.1
92.05782	1.1
93.07053	85.8
94.07882	1.3
95.04979	5.7
105.04537	3.5
105.07037	14.9
107.08605	100.0
109.06525	4.3
117.07066	1.6
119.06069	3.2
119.08595	9.0
120.09364	3.1
135.04379	1.0
135.08118	2.1
135.11707	34.0
144.62047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	7.0
55.05503	7.5
57.07057	1.8
58.27960	1.1
65.03924	2.1
67.05489	3.6
69.07063	3.6
71.38596	2.4
73.60844	1.1
77.03952	1.6
79.05497	34.0
81.07050	2.2
91.05488	35.0
92.70802	1.2
93.07049	82.6
95.05002	6.5
95.08582	1.2
105.04529	3.3
105.07033	14.2
107.08601	100.0
108.08945	1.6
109.06512	3.8
119.06077	3.3
119.08585	8.8
120.09353	3.1
135.04424	7.0
135.08080	2.6
135.11703	34.1
135.62201	1.1
136.06128	1.7
136.11987	1.4
139.38910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02378	2.4
51.26455	0.5
53.03948	20.9
55.01859	1.5
55.05497	1.9
65.03949	0.8
67.05498	1.3
71.07162	1.2
77.03928	4.7
79.05492	22.4
81.03436	2.4
81.07043	0.7
89.03927	1.9
91.05489	12.1
92.02628	11.9
93.06480	0.8
93.07048	15.4
95.04971	22.7
105.03434	3.4
105.04515	11.5
105.07034	5.0
107.04966	4.8
107.08595	23.1
109.06538	1.1
109.58544	0.5
112.04024	0.6
115.05492	1.0
117.03362	1.1
117.07021	1.4
119.06047	1.1
119.08592	3.8
120.02070	1.9
120.09357	0.8
135.04419	100.0
135.08023	5.8
135.11676	10.5
136.02174	2.3
136.04767	1.2
136.06200	2.3
136.07564	0.6
138.03110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31220	1.2
55.01870	4.9
55.61943	1.0
56.05034	2.0
56.46552	0.9
56.96568	2.3
57.03442	20.8
58.06591	3.9
58.99852	1.3
60.08155	1.2
65.52177	1.1
68.02647	1.6
68.05019	2.0
69.01917	1.7
69.03426	7.9
69.65490	1.9
69.65901	4.7
70.06614	5.3
70.99874	2.5
71.02994	1.0
71.05008	5.1
72.08155	33.2
72.52953	2.6
73.02920	44.8
73.57176	1.0
74.06071	1.7
75.01893	1.1
77.00902	1.7
77.52173	2.9
78.52969	3.7
79.02170	9.8
80.52747	1.3
81.01946	2.0
81.03405	3.3
82.01450	7.1
82.99850	3.6
84.01379	1.2
84.52958	2.7
85.02905	10.3
85.36496	1.1
85.53738	3.8
86.52710	9.6
86.99346	1.8
87.01933	1.6
87.53489	1.4
88.02685	17.3
88.07626	3.8
88.52773	2.1
89.00901	2.5
90.09197	29.7
90.52931	1.3
92.52696	3.0
93.01897	20.7
93.52003	1.6
93.53479	3.1
95.53203	2.3
97.01402	1.3
97.02855	2.0
98.06044	6.1
98.20850	1.6
98.52701	3.1
99.53464	3.5
100.02486	18.5
100.52452	1.3
101.00886	31.4
101.02541	2.3
101.04459	1.1
102.00954	2.2
102.02419	17.0
102.09155	2.0
104.52673	2.2
107.53170	1.0
109.02882	1.2
111.02948	9.8
111.53033	1.2
113.00873	6.4
113.04512	1.0
113.53194	4.1
115.02427	3.1
116.07106	2.4
118.03542	6.4
119.01930	49.3
120.02027	4.3
120.03436	1.5
122.53709	4.6
124.02467	19.5
125.02568	2.2
128.01935	1.6
131.01921	13.6
133.03514	1.2
134.08165	8.9
134.10745	6.7
134.11772	100.0
137.02916	5.5
142.03506	74.6
143.01877	2.1
143.03595	6.9
144.03227	1.9
145.03513	3.0
147.01401	2.1
154.03513	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.05508	2.5
56.96557	0.6
65.03913	0.5
67.05487	0.7
69.56978	3.1
73.02927	0.5
74.92727	0.5
79.05489	5.3
91.05482	22.7
93.07057	4.4
95.04956	1.0
98.20783	0.6
103.05480	3.5
105.07032	100.0
106.07359	1.7
107.08593	0.9
115.05461	2.7
116.06252	1.1
117.07015	7.8
118.07808	9.9
131.08560	7.6
133.02802	0.5
133.06503	6.3
133.10133	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.8
56.96563	31.5
57.03439	59.8
58.99855	4.2
65.52193	4.4
68.02647	4.2
69.03433	13.9
69.83959	18.8
70.99839	5.2
72.52971	9.5
73.02922	15.4
74.02444	13.6
74.93169	27.4
77.52187	13.6
78.52977	11.7
79.02145	7.0
81.03416	11.7
82.01457	25.1
82.99855	8.9
84.52963	4.0
85.02957	3.6
85.51929	5.0
85.53745	11.4
86.52710	100.0
87.02764	9.6
88.02691	19.0
88.03988	9.4
88.51695	7.5
90.52922	4.5
93.01887	10.7
93.53493	5.5
94.99775	3.4
95.53212	36.1
96.53098	3.6
97.02895	3.9
98.03477	3.5
98.52705	4.8
98.97566	6.9
99.53484	4.1
100.02496	42.9
101.00893	46.6
102.00962	9.0
102.02417	11.0
103.00676	4.9
103.02425	4.2
104.53657	4.0
108.60565	3.2
109.02894	6.2
111.02090	4.7
111.02937	9.6
112.01070	4.5
113.00866	13.2
115.02433	7.6
116.98620	5.7
118.03544	13.7
119.01939	63.8
119.97373	4.2
120.02038	7.3
120.27463	3.3
121.01617	6.5
124.02465	29.3
128.49542	6.1
128.97847	4.6
131.01920	24.2
136.02444	4.3
137.50031	6.8
138.04027	4.2
142.03517	74.4
143.01906	11.4
143.03714	10.6
145.03477	8.2
149.03015	3.5
154.03525	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03945	1.6
55.05518	2.8
56.96552	0.6
67.05512	0.7
70.27277	0.5
71.01815	0.9
71.02168	0.7
77.03934	0.6
79.05505	6.9
89.53987	0.5
91.05490	24.1
92.06296	0.5
93.07056	6.9
95.04990	1.0
103.05483	3.8
105.07039	85.0
106.07375	1.4
107.08582	1.2
115.05472	5.7
116.06228	1.1
117.07017	6.0
118.06357	0.5
118.07832	5.8
131.08575	6.1
133.02847	0.6
133.06512	13.1
133.10141	100.0
134.10466	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.85468	0.3
53.03949	0.5
55.00272	0.3
55.05520	1.8
62.14280	0.3
65.03938	0.5
67.05496	0.5
69.62479	2.2
79.05070	0.5
79.05496	4.9
91.05483	13.2
93.07047	4.4
93.24278	0.3
95.04976	0.8
103.05468	2.3
105.07034	42.2
106.07340	0.5
107.08569	1.2
115.05461	4.7
116.06233	0.6
117.07022	4.3
118.07803	4.9
129.06972	0.3
131.08569	5.5
133.06584	1.7
133.10133	100.0
134.10475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.46247	0.4
50.83367	0.5
53.03943	0.9
55.05504	1.7
63.27657	0.4
70.81986	0.9
70.82364	0.7
79.05505	4.8
91.05489	12.2
93.07050	3.5
103.05478	2.1
105.07040	40.6
106.07367	0.5
107.08607	0.8
115.05470	4.5
116.06282	0.8
117.07020	4.8
118.07800	5.6
131.08560	5.3
133.06497	7.1
133.10139	100.0
134.10477	1.9
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	Tetralin
Peak:m/z	Relative Intensity
50.48711	0.6
53.03949	1.8
55.05520	4.7
56.11547	0.6
67.05510	1.0
70.20113	2.4
73.63482	0.6
75.01814	0.6
79.05496	6.6
81.04805	0.7
88.06520	0.6
91.05489	28.4
91.62968	0.6
93.07047	7.1
96.41933	0.6
100.56628	0.7
103.05483	3.0
105.07040	100.0
106.07371	1.1
107.08621	1.0
115.05434	4.7
116.06233	1.3
117.07016	5.7
118.07808	6.6
129.07013	1.4
131.08586	14.0
133.06529	4.0
133.10141	88.2
134.10480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
54.15448	0.4
56.96576	1.8
59.04999	0.4
69.03423	0.5
69.07072	2.5
70.08208	1.5
79.95537	0.3
83.78509	0.3
86.09708	100.0
87.10033	1.4
96.01508	0.4
98.01312	0.8
98.97583	0.9
101.06011	0.5
119.15694	0.4
120.02604	0.7
132.10214	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02366	0.5
53.03949	2.4
55.01875	3.9
55.05500	0.6
56.96569	2.2
61.21686	0.3
66.02239	0.3
66.18600	0.3
69.03420	1.0
71.04983	0.4
71.35652	0.8
73.02917	0.8
77.03938	1.0
79.05499	12.0
88.02220	0.8
91.05486	4.7
93.07037	1.0
95.04978	1.5
97.02888	1.1
97.03456	0.4
103.05470	8.2
104.70241	0.3
105.07036	100.0
106.06680	0.4
106.07390	1.1
107.04959	1.2
110.01302	0.4
115.05433	3.5
117.07006	0.6
118.04117	0.6
118.07801	0.8
118.46072	0.3
119.43375	0.3
123.07925	0.4
131.04918	1.5
131.08572	1.4
132.05696	0.5
133.04822	2.7
133.06500	95.4
133.10124	10.2
134.06857	1.1
140.98639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.84904	0.6
53.03933	2.0
55.01881	3.1
55.05510	0.9
56.96546	0.8
57.12760	0.6
59.66707	0.6
66.04723	1.6
69.58295	1.6
69.58712	2.8
70.05083	0.6
79.05497	11.8
89.38709	0.6
90.04700	4.1
91.05487	6.2
93.07035	2.0
95.04987	1.0
98.20754	1.1
103.05460	9.9
105.07031	82.5
115.05471	3.9
117.07009	1.4
118.04160	13.3
118.07783	0.8
131.04926	2.0
131.08569	0.8
133.06493	100.0
133.10124	16.3
134.06836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.3
51.02384	0.3
53.03949	1.6
55.01873	2.7
55.05508	1.2
56.96560	1.0
65.03938	0.4
69.03435	0.4
69.21967	2.2
73.02914	0.3
77.03923	0.7
78.79136	0.2
79.05495	12.8
81.03430	0.3
91.04903	0.4
91.05485	7.2
93.07049	1.3
95.04975	1.3
97.02909	0.6
98.65431	0.3
99.05229	0.2
99.67120	0.3
103.05473	8.7
105.07035	100.0
106.07367	1.5
107.04961	0.8
115.05463	4.8
117.07023	1.0
118.04144	0.4
118.07802	1.2
131.04932	1.0
131.08574	2.4
132.05707	0.4
133.06499	91.9
133.10127	18.5
134.06816	1.2
134.10475	0.4
143.06056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.3
51.02384	0.3
53.03949	1.6
55.01873	2.7
55.05508	1.2
56.96560	1.0
65.03938	0.4
69.03435	0.4
69.21967	2.2
73.02914	0.3
77.03923	0.7
78.79136	0.2
79.05495	12.8
81.03430	0.3
91.04903	0.4
91.05485	7.2
93.07049	1.3
95.04975	1.3
97.02909	0.6
98.65431	0.3
99.05229	0.2
99.67120	0.3
103.05473	8.7
105.07035	100.0
106.07367	1.5
107.04961	0.8
115.05463	4.8
117.07023	1.0
118.04144	0.4
118.07802	1.2
131.04932	1.0
131.08574	2.4
132.05707	0.4
133.06499	91.9
133.10127	18.5
134.06816	1.2
134.10475	0.4
143.06056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05508	0.8
65.03932	1.4
69.21312	2.8
78.04708	0.4
79.05499	1.7
88.02246	0.4
91.05486	100.0
92.05831	0.9
93.07022	0.6
103.05463	0.9
104.06257	14.6
105.07037	19.9
106.06538	0.3
113.53123	0.3
117.06995	0.4
118.07816	0.7
122.98780	0.3
131.08563	0.9
133.06474	1.0
133.07518	0.6
133.10136	20.0
134.10529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
57.03436	1.1
70.03732	0.8
71.00246	1.0
71.00616	1.4
71.04996	1.1
76.90746	0.8
83.04974	0.7
84.08125	2.0
85.04887	0.6
85.08094	0.5
85.08482	6.5
86.09715	1.2
91.05484	70.3
95.04974	1.4
103.05470	44.2
104.05779	0.7
113.07980	3.2
115.05458	4.2
116.06252	16.8
128.06213	1.4
129.07013	13.8
131.04930	5.9
131.08563	100.0
132.08894	2.1
133.06458	0.7
143.05923	0.9
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	L-Alloisoleucine
Peak:m/z	Relative Intensity
51.69150	0.4
51.82885	0.5
53.43966	0.4
56.96561	1.5
57.03428	1.0
58.06597	13.6
59.04993	1.1
59.07383	7.8
60.05645	2.6
60.08165	6.3
69.03423	2.3
69.07058	1.8
69.54765	3.4
71.04992	2.0
72.04514	1.5
72.05647	5.7
72.08157	0.8
73.02913	5.9
85.02913	0.7
86.06043	0.7
86.09708	15.6
87.04471	37.6
90.05550	3.4
98.01280	0.6
98.21493	0.8
98.97565	0.7
100.02450	0.5
101.06008	1.1
114.06643	1.8
114.08408	1.0
114.09165	12.2
115.05028	1.3
119.01851	0.5
129.03169	0.5
132.07681	5.4
132.10204	100.0
133.10538	1.4
136.96808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.05511	5.1
55.21912	0.7
55.91510	0.7
57.07077	4.9
64.45643	0.7
65.03934	1.3
67.05503	21.4
69.07066	2.8
71.56575	1.3
77.03918	1.2
79.05496	18.2
80.05013	11.0
80.05781	1.2
81.03397	1.7
81.07055	100.0
82.01432	3.5
91.05478	0.9
93.07032	2.9
95.04970	17.1
95.08602	20.5
96.04488	3.2
100.02488	10.7
101.22656	0.7
105.03379	0.9
105.04498	1.4
105.07018	2.9
106.07348	1.4
107.04945	1.0
108.05742	5.4
108.07646	3.6
112.03940	1.0
118.03506	4.9
121.06491	0.9
121.10155	1.2
123.04429	11.2
123.05544	41.1
123.08058	37.0
123.10034	5.6
123.10823	1.7
123.11704	33.2
124.03961	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	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03951	2.1
55.05516	4.0
57.07083	4.7
65.03944	1.2
67.05510	15.3
68.16924	0.7
69.07063	2.5
69.40273	4.8
77.03939	1.4
78.03457	0.8
79.05495	11.5
80.05022	7.3
81.07061	100.0
82.01453	4.8
84.17284	0.6
89.37123	0.7
93.07045	2.4
95.04978	6.8
95.08606	15.8
96.04510	2.7
100.02496	8.9
103.19385	0.6
105.03384	1.6
105.07078	1.6
108.05700	0.9
108.07709	1.0
108.09396	0.8
118.03525	2.9
121.10153	1.6
123.04441	16.4
123.05558	23.4
123.08073	12.7
123.10008	2.3
123.11712	33.8
124.03952	3.5
124.12015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05271	1.3
55.05515	18.8
57.07079	6.1
57.39473	1.0
60.40916	0.9
67.05494	1.6
69.03405	0.8
69.07072	100.0
69.79489	3.1
69.79899	1.9
70.07400	1.0
82.06579	3.6
83.08619	20.7
86.04594	0.8
97.07691	0.9
98.21474	1.3
107.55318	0.9
108.04479	3.2
111.42944	0.9
112.39588	0.9
125.04299	1.6
125.06010	1.1
125.07172	1.9
125.08247	2.0
125.10755	2.9
126.05515	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74681	0.2
51.02390	0.4
53.03951	2.7
55.01887	0.3
60.29210	0.2
69.03433	0.3
70.03770	0.6
70.22427	0.9
77.03935	0.8
84.08159	0.6
85.04811	0.3
85.08459	2.9
91.05481	23.1
95.04962	2.4
99.16346	0.2
102.04704	0.8
103.05466	100.0
104.05802	1.6
105.04514	1.1
105.07079	0.3
113.07932	2.0
115.05460	2.3
116.06242	7.3
128.06232	0.4
129.07002	4.4
131.04933	15.4
131.08559	35.7
132.08891	0.5
133.06502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03948	2.5
57.03458	0.2
65.23975	0.2
67.05524	0.3
70.70932	0.4
71.05022	0.2
77.03951	0.8
81.03418	0.3
84.08148	0.5
85.08474	2.0
86.58517	0.2
91.05485	9.9
91.63918	0.2
95.04970	2.8
102.04687	0.6
103.05472	100.0
104.05796	1.6
105.04516	1.7
113.07936	1.8
115.05442	0.9
116.06252	2.7
129.07024	2.1
131.04935	13.7
131.08559	14.6
132.05276	0.2
132.08058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01865	0.9
55.05508	5.0
56.16944	0.6
57.07080	5.2
65.03941	1.7
67.05508	25.1
69.07088	2.2
69.52255	4.9
77.03925	1.2
79.05499	16.7
80.05032	7.2
80.05838	0.7
80.06289	1.0
81.03400	1.5
81.07063	100.0
81.38776	0.7
82.01446	7.5
82.07401	1.1
82.25018	0.8
88.69311	0.6
91.05491	1.9
93.07037	4.5
94.07819	0.9
95.04981	13.9
95.08614	31.1
96.04500	2.4
98.20739	0.9
100.02493	16.7
101.43151	0.6
103.05462	0.7
105.04537	1.5
105.07026	6.2
106.02921	1.2
106.07369	2.8
107.04978	2.9
108.05750	21.2
108.07678	3.6
118.03510	4.7
121.06515	2.5
121.10145	1.3
123.04451	7.0
123.05566	32.1
123.08077	47.3
123.10004	8.5
123.11719	33.8
124.03991	4.1
124.08445	1.0
126.16902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03930	2.7
55.05498	3.2
57.07084	6.3
67.05176	1.2
67.05508	14.0
69.07059	2.9
71.43224	1.0
75.71989	0.7
79.01855	0.9
79.05498	25.4
80.05013	5.6
81.07057	100.0
82.01461	5.0
93.07055	2.0
94.07822	0.9
95.04971	7.1
95.08611	16.1
96.04502	2.6
100.02481	10.3
105.03394	1.9
105.93559	1.0
108.05723	1.3
108.07680	1.3
118.03509	3.6
121.10181	2.0
123.04445	7.2
123.05557	26.1
123.08052	6.2
123.10049	1.7
123.11710	34.7
124.03969	4.4
139.13991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
53.98466	0.5
55.01867	1.4
55.05513	5.5
55.83473	0.5
57.07076	5.0
65.03931	1.1
67.05504	31.4
69.03445	0.8
69.07058	2.8
69.53819	1.2
69.54237	2.0
70.94683	0.6
77.03922	1.0
78.03459	1.0
79.05491	18.4
80.05017	10.9
80.05817	0.9
80.06261	0.6
81.03407	1.8
81.07053	100.0
82.01443	5.4
82.04142	0.5
90.36155	0.5
91.05515	1.0
93.07038	4.8
94.07811	0.6
95.04974	17.4
95.08604	30.1
96.04501	3.6
100.02481	16.9
103.05536	0.6
103.56647	0.5
105.03421	0.6
105.04525	1.3
105.07020	4.4
106.02921	0.9
106.07358	2.0
107.04958	1.3
107.36199	0.5
108.05741	8.9
108.07670	5.2
112.03964	1.2
118.03535	6.0
119.01918	1.2
121.06481	1.8
121.10163	0.9
123.04439	10.7
123.05551	40.8
123.08066	38.2
123.09988	8.7
123.11700	28.5
124.03944	6.0
124.07575	0.7
124.08376	1.0
135.25139	0.5
136.10066	0.6
140.03392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
51.35230	0.7
53.03945	2.2
55.05513	3.9
57.07077	4.9
65.03934	1.1
67.05512	15.1
68.09092	0.8
69.07062	2.6
70.57985	2.3
78.27058	0.7
79.05493	12.9
80.05037	6.6
81.07062	100.0
82.01434	4.2
93.07056	1.8
95.04974	5.9
95.08614	14.7
96.04486	2.2
100.02491	10.2
108.05725	0.9
108.07684	1.0
118.03565	3.8
121.10146	1.2
123.04459	5.2
123.05565	26.7
123.08067	7.8
123.10023	2.3
123.11720	33.0
124.03976	4.5
124.05909	0.8
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	Santene
Peak:m/z	Relative Intensity
53.03944	3.1
55.05513	5.2
57.07072	5.7
64.30383	0.7
65.03935	0.7
67.05505	22.4
69.07076	2.9
71.14523	1.2
71.14849	0.8
79.05495	21.0
80.05027	6.6
81.03429	1.1
81.07059	100.0
82.01451	4.6
82.07407	1.0
91.05487	1.0
93.07043	3.1
94.07819	0.7
95.04975	13.1
95.08608	25.9
96.04495	2.4
96.91864	0.6
100.02489	12.6
105.03384	1.1
105.07038	2.0
106.07375	2.3
108.05753	3.4
108.07687	4.1
118.03518	4.2
121.10134	0.9
123.04463	7.2
123.05566	28.7
123.08076	27.0
123.09998	7.1
123.11713	38.4
124.03972	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02364	1.4
53.03949	4.8
55.01862	2.1
55.05279	0.8
55.05515	13.6
55.93694	1.0
57.07069	2.3
59.77485	0.9
65.03924	3.8
67.05507	61.6
69.66261	4.6
77.03922	1.7
78.03468	0.9
79.01849	0.9
79.05492	11.0
80.05019	9.7
80.06243	1.3
81.03434	4.5
81.07059	39.2
82.01449	8.9
91.05470	2.8
93.07048	11.3
95.04974	46.5
95.08614	49.3
96.04507	2.3
100.02484	19.9
103.92457	1.0
105.03374	1.1
105.04526	1.8
105.07019	3.0
106.07383	1.6
107.04955	1.7
108.05743	4.3
108.07666	2.3
112.04018	1.5
118.03516	6.9
123.04446	11.9
123.05555	40.8
123.08070	100.0
123.09986	4.2
123.11697	10.7
124.03980	6.3
124.08399	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75568	0.7
55.01851	1.0
56.96572	4.1
57.03427	1.7
58.99866	0.8
65.42059	0.7
67.05490	0.9
69.20844	8.1
78.03440	1.2
78.48096	0.8
80.05011	2.5
81.07043	0.8
82.01447	54.2
82.99828	1.2
83.01514	1.6
88.02658	1.1
88.27636	0.8
95.04969	2.5
98.20764	1.5
98.97558	1.9
100.02485	100.0
101.00890	12.2
101.02561	2.0
108.51258	0.8
109.00511	1.6
109.02887	1.0
117.08364	0.7
118.03526	27.2
119.01931	24.7
120.43490	0.7
123.04372	1.2
123.04532	1.3
123.05556	13.2
124.03954	1.2
131.01912	1.4
135.76997	0.8
137.02936	3.6
142.03494	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31699	0.7
70.77142	1.7
82.01448	50.6
83.01533	0.9
100.02489	100.0
101.00904	5.4
101.02531	1.6
104.17105	0.8
118.03528	26.4
119.01935	11.2
137.02965	2.0
141.04993	0.7
142.03520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.8
57.03432	2.2
58.99851	1.2
64.53509	0.8
69.03418	2.1
69.79536	4.6
73.02900	0.9
80.05042	1.3
81.01946	1.0
81.03420	1.2
82.01450	50.5
82.99801	1.0
83.01514	1.5
97.02900	1.2
98.97587	1.4
100.02489	100.0
101.00897	8.6
101.02569	2.0
106.02911	2.1
118.03530	27.3
119.01930	14.4
119.51642	0.9
123.04086	1.9
123.05556	9.4
124.02448	1.6
124.58776	0.9
131.01913	1.1
137.03003	2.2
142.03506	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Benzoate
Peak:m/z	Relative Intensity
50.38911	0.4
51.02378	0.8
52.87068	0.5
53.03952	7.3
55.01869	1.1
55.05511	1.1
56.96568	1.1
57.07079	0.9
67.05507	5.9
71.45419	0.4
71.54707	0.6
73.39446	0.4
77.03934	1.3
79.01862	1.9
79.05497	100.0
80.05021	13.8
80.05821	1.7
81.03413	1.0
81.07061	18.6
82.01459	4.5
88.02354	0.6
88.63203	0.4
93.07086	0.8
95.04973	15.3
95.08604	4.0
95.75924	0.4
96.04501	4.2
100.02486	14.6
103.88296	0.4
105.03401	19.2
105.04479	3.9
105.07013	1.0
106.02945	0.7
106.03709	0.5
106.07362	1.0
107.04996	0.4
108.05758	1.3
108.07685	1.8
118.03534	8.6
123.04455	21.3
123.05573	45.3
123.08054	6.6
123.09077	0.9
123.09973	4.2
123.11705	5.2
124.03963	7.7
124.05946	0.5
141.05174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.63929	0.4
53.03947	1.4
54.04289	0.5
60.58498	0.5
65.03944	7.1
71.56717	0.5
73.08509	0.5
79.05508	3.3
80.68288	0.4
82.60802	0.4
89.47682	0.4
91.05485	100.0
92.05818	1.1
93.07067	2.9
95.04962	1.6
96.05320	0.4
103.05471	6.3
104.06255	5.2
105.04533	0.7
106.04807	0.5
106.95028	0.4
109.06516	0.6
115.05460	2.8
117.07021	20.4
119.04956	19.2
119.06065	1.9
119.06851	2.1
119.08585	57.5
120.04418	0.6
120.05520	0.4
120.08930	0.7
121.06490	0.5
124.33835	0.4
127.53468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80165	1.2
53.03943	3.5
54.04293	1.6
57.07080	41.8
65.03955	6.5
69.98003	7.4
76.58778	1.3
79.05497	5.3
91.05487	100.0
93.07036	3.9
95.04951	2.4
96.05276	1.9
103.05457	6.2
104.06266	6.8
106.04761	1.3
115.05390	3.1
117.07020	17.3
119.04949	15.0
119.06078	2.5
119.06865	5.5
119.08585	79.0
120.08127	1.5
122.91475	1.6
128.65344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03952	16.9
55.01871	3.0
55.05507	5.3
65.03940	10.9
67.05500	1.5
69.59774	1.1
70.98362	3.1
73.20060	1.3
77.03926	3.1
79.05496	51.1
80.80265	1.1
81.03415	1.4
81.07046	2.4
89.89255	1.2
91.05482	49.2
92.05792	1.2
93.07046	100.0
95.04969	16.8
103.05473	31.9
105.04523	6.2
105.07035	85.0
106.07841	7.9
107.04951	1.9
107.07343	14.3
111.04445	5.2
119.08587	11.1
121.02878	28.3
121.04016	7.3
121.06513	50.5
121.10145	77.5
122.07310	1.2
122.09670	19.8
122.10497	1.8
123.08092	7.0
133.07608	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02390	0.3
53.03945	1.0
54.19413	0.3
56.96558	0.3
58.18357	0.3
63.19555	0.3
65.03947	12.0
73.08488	0.5
75.02369	0.4
79.05489	1.7
91.05489	100.0
92.05832	1.1
93.07066	1.3
95.04978	0.9
96.05304	0.4
103.05470	2.8
104.06257	2.2
105.04525	0.5
106.05008	0.3
115.05469	1.1
117.06227	0.6
117.07033	7.4
119.04955	39.4
119.06856	2.0
119.08588	29.1
120.05518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	2.3
65.03956	3.1
69.56659	4.0
69.57068	1.2
75.73795	0.6
77.03886	0.8
78.04709	0.6
79.05485	6.1
91.05486	92.6
93.07046	6.9
95.04973	1.8
96.32083	0.6
103.05476	10.1
104.06258	8.9
105.04553	0.9
109.06486	0.8
113.56496	0.6
115.05450	4.1
115.65915	0.6
117.07024	39.4
118.07352	0.6
119.04942	6.1
119.08585	100.0
120.08895	1.4
131.06049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49528	0.7
51.02380	0.7
53.03949	1.7
54.38436	0.6
54.61940	0.6
54.84212	0.5
54.90729	0.6
65.03939	2.3
67.13756	0.5
70.92908	1.3
79.05501	5.4
80.55602	0.5
91.05485	87.9
92.05815	0.7
93.07040	4.8
95.04953	1.4
103.05466	9.2
104.06261	9.2
105.04477	1.3
115.05448	5.2
117.07022	37.7
118.07485	0.6
119.04961	4.2
119.08585	100.0
131.06061	0.8
133.98212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.545
Annotation	Unknow
Peak:m/z	Relative Intensity
97.31790	0.0
98.20806	0.1
99.66183	0.0
107.03122	0.0
109.57800	0.0
119.16028	0.0
183.09238	0.0
195.09294	0.0
197.10751	0.1
207.09181	0.1
208.09889	0.1
209.10721	0.1
219.09291	0.0
223.12355	0.1
224.12973	0.0
235.12193	0.1
236.13213	0.1
249.10193	0.1
249.14011	0.1
251.15573	0.0
283.14490	0.0
286.13147	0.1
300.14819	0.1
310.13217	0.1
314.16611	0.1
324.14865	0.1
326.16458	0.1
338.16608	0.1
348.97379	0.0
373.13879	0.1
374.18973	0.1
375.15793	0.1
376.18051	0.1
377.18381	0.1
386.15674	0.0
387.16232	0.2
388.16840	0.3
389.17499	0.5
390.18622	0.2
391.19046	0.1
401.17569	0.3
402.18393	0.4
403.19202	1.6
404.20044	0.6
405.20721	1.3
406.21484	0.1
407.21509	0.1
415.14783	0.1
415.20041	0.2
416.15445	0.1
416.20648	0.5
417.16547	0.6
417.20764	2.2
418.21863	1.2
419.22397	2.5
420.23135	0.3
421.23932	0.2
429.17029	0.2
429.21475	0.1
430.16769	0.4
430.21939	0.3
431.18256	6.0
432.18576	1.8
432.23907	0.4
433.24246	4.8
434.24768	1.1
443.18790	0.1
444.18561	0.4
445.19943	7.5
446.20724	3.8
447.21664	4.0
448.22952	0.3
449.23639	0.4
457.20020	0.1
458.21127	0.1
459.21460	2.9
460.22580	7.8
461.23224	6.4
462.19971	0.2
462.23984	0.4
463.21359	0.3
464.22263	0.1
472.22430	0.1
473.23810	1.9
474.24316	0.5
475.25937	0.1
476.26584	0.6
477.22107	0.8
478.23636	0.2
487.25317	0.9
488.26202	0.1
489.18542	0.1
489.26169	0.4
490.19714	0.1
490.23947	0.1
491.25134	0.8
492.25372	1.1
493.26172	0.2
501.22791	0.1
503.20728	0.1
504.21442	0.2
504.25156	0.1
505.22003	4.5
506.22372	0.1
507.27817	0.1
515.24506	0.4
517.26056	0.1
518.23511	0.3
519.23694	0.8
520.24390	0.2
521.21771	0.1
521.29138	0.1
532.21155	0.1
533.25464	31.4
534.17578	0.1
534.25842	1.5
535.23401	0.1
547.26941	0.4
549.21027	0.1
550.25543	0.2
551.26514	0.1
561.24854	0.6
564.23553	1.1
565.28357	1.1
575.26648	0.5
578.25195	0.3
592.26923	0.1
593.27527	100.0
594.27844	4.6
594.35870	0.1
907.65076	0.1
997.44604	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01595	0.8
51.02377	3.9
53.03949	45.0
55.01871	1.5
55.05523	0.7
58.06595	1.2
59.07366	0.9
70.62253	1.6
72.07881	0.6
72.08160	6.9
77.03939	9.7
81.03431	3.6
83.52330	1.3
91.05470	4.7
93.89409	0.7
95.04969	43.9
105.04515	21.9
118.06546	100.0
118.08641	5.8
119.04955	1.0
119.06845	1.2
119.08591	2.3
133.03455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02376	3.2
53.03953	46.1
55.01865	2.1
57.50899	1.5
69.22162	1.8
69.22771	15.6
72.08166	4.9
77.03948	10.0
81.03413	5.0
91.05462	2.3
95.04976	44.2
98.21488	3.0
105.04520	23.5
118.06556	100.0
118.08664	5.0
119.08568	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02377	4.8
51.22035	1.7
53.03717	2.7
53.03952	46.7
53.71329	1.2
55.01860	3.7
58.06598	1.7
69.72099	7.1
72.08177	6.5
77.03937	9.9
81.03419	3.4
91.05501	7.9
95.04974	45.6
105.04527	19.9
118.06553	100.0
118.08640	6.4
119.06877	1.5
119.08617	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	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
55.05513	6.2
56.96554	0.4
58.06601	21.3
58.20757	0.3
59.05008	0.4
59.07383	21.9
59.95210	0.3
60.08160	0.3
66.08997	0.3
69.03424	1.4
71.40570	0.4
72.08157	44.3
73.08473	0.3
76.07645	0.4
82.06572	0.9
84.01537	0.4
87.04472	6.8
100.02484	0.8
100.07608	3.1
100.86703	0.3
103.51974	0.3
118.08657	100.0
118.12340	1.1
119.09023	0.4
133.03441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.6
51.02370	4.0
51.56702	1.3
52.24286	1.1
53.03948	46.5
53.42682	1.2
55.01873	2.1
55.05506	1.6
58.06583	2.9
59.07383	2.6
69.47530	1.4
71.05466	2.0
71.05814	2.7
72.08157	15.5
77.03925	10.9
78.62971	1.2
81.03412	5.0
83.52368	4.3
85.54100	1.1
91.05489	16.7
95.04971	42.1
105.04516	23.0
117.07044	1.2
117.61524	1.2
118.06547	100.0
118.08647	8.2
119.04935	5.0
119.08593	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.8
51.02373	4.9
53.03950	45.3
55.01877	1.5
58.06598	2.8
59.07371	1.9
59.27180	1.3
71.54177	2.6
72.08154	11.6
74.83306	1.2
77.03931	9.5
81.03405	6.1
91.05490	8.8
95.03146	1.3
95.04972	41.1
105.04533	20.6
118.06551	100.0
118.08652	13.0
119.08571	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02380	4.6
52.97747	0.8
53.03951	45.3
54.27022	0.9
55.01866	2.6
55.05506	1.2
58.06590	1.8
59.07373	2.2
60.56358	0.9
65.03938	1.2
66.40784	0.9
69.56367	6.2
69.67661	0.9
70.64998	0.8
72.08161	9.9
77.03939	9.6
79.05502	1.2
81.03426	5.1
82.16344	0.8
83.52373	2.0
91.05494	14.3
95.04976	39.9
103.05492	1.8
105.04527	22.9
109.05872	0.8
115.05418	1.2
115.09815	1.1
117.07025	5.6
118.06552	100.0
118.08614	5.1
119.04951	2.2
119.08588	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	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35698	0.4
53.03939	0.7
55.01884	2.4
55.05516	5.6
56.96558	1.1
57.03438	2.6
58.23705	0.3
59.05008	15.1
63.19413	0.4
65.03937	1.6
66.71059	0.4
66.86086	0.4
67.05502	1.0
69.03436	4.3
69.07073	11.8
70.06599	3.7
70.07389	0.4
70.20275	0.3
71.05009	0.5
71.13340	1.0
72.93789	0.7
73.02905	1.2
73.06556	2.8
73.93812	0.4
79.05482	1.7
83.01350	0.4
85.02924	0.7
87.00842	1.8
87.04473	16.2
89.03921	4.6
90.02934	0.3
97.02895	1.2
97.05917	0.5
97.06543	6.6
97.10153	0.5
111.11256	0.4
115.03983	15.9
115.05460	100.0
115.09503	2.2
116.05789	1.3
116.07101	0.6
116.10815	0.5
124.87626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0757
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
52.26284	0.5
53.03932	1.6
54.80353	0.6
55.01874	5.6
55.05511	5.6
56.96568	0.5
57.03439	8.9
59.05004	4.5
67.05502	5.0
69.03431	3.3
69.07069	100.0
70.06574	0.8
70.07402	0.8
71.04995	1.0
71.23762	0.7
71.24098	0.8
72.93829	0.6
73.02939	0.8
73.06555	18.4
73.93814	0.6
79.05495	16.3
80.05821	0.6
87.00840	1.0
87.04470	5.9
95.04969	0.9
97.02937	0.5
97.06532	56.7
99.37854	0.5
112.92966	0.6
115.03944	5.3
115.05497	1.6
115.07565	8.0
115.09488	3.0
116.14281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01877	1.4
55.05510	3.8
56.96570	1.3
57.03439	36.3
57.07074	1.4
65.03941	11.9
67.01865	2.6
67.05505	100.0
67.86386	0.5
68.05022	0.9
68.05846	0.9
69.03432	4.1
69.07080	1.7
69.54655	2.1
69.55074	0.9
70.02958	3.3
70.03760	0.5
70.06596	0.6
71.04992	15.5
71.94104	1.2
71.95267	1.4
72.93787	8.4
77.61602	0.4
79.70033	0.4
83.04975	2.3
85.02896	1.3
85.06538	5.8
86.06065	0.8
90.00144	1.7
90.94818	4.5
93.07024	1.0
95.01334	2.9
95.04970	61.8
95.08604	9.6
95.83375	0.4
96.00873	2.5
96.04520	0.4
96.05280	0.5
96.08112	0.5
98.00769	0.7
99.00677	1.5
108.95835	0.7
113.00106	2.4
113.02368	77.3
113.03486	7.3
113.06004	17.8
113.07214	0.7
113.07944	1.7
113.09644	15.0
113.10769	0.9
113.96393	1.3
114.02676	0.8
114.05534	1.2
114.09172	4.8
131.97458	0.6
132.51213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01866	5.5
55.05509	1.8
56.96568	31.7
57.03440	9.6
58.99860	6.8
60.05639	6.9
60.95855	1.9
68.05013	3.9
69.03436	11.9
69.91160	7.6
70.06589	3.1
70.99872	9.9
71.04985	3.1
71.52184	4.1
72.04510	3.7
72.93793	20.7
73.02924	3.2
77.00881	4.8
78.52962	3.5
79.02164	2.4
79.03031	2.0
79.52821	2.0
80.52710	6.9
82.01444	44.8
82.01923	2.3
82.96797	1.9
82.99843	2.5
84.01180	2.2
84.52953	1.8
85.01389	1.8
85.02901	4.8
85.53707	2.8
88.02684	5.1
89.00883	4.6
90.51302	1.8
90.94807	4.3
91.00529	5.9
91.02371	7.3
93.01899	2.8
93.53478	3.8
96.06419	7.3
96.08119	2.9
98.97576	4.0
100.02483	100.0
101.00876	15.8
101.02560	3.6
102.00962	2.8
102.02319	5.2
102.53121	6.6
103.00631	3.4
103.02393	2.4
111.02933	6.3
111.53656	6.8
112.03767	1.5
112.07632	5.1
113.00882	3.9
114.03978	2.4
114.05536	5.9
114.06645	7.4
114.07420	3.3
114.09185	14.6
115.02476	3.4
115.76875	1.7
118.02687	2.1
118.03529	35.8
119.01923	20.7
120.02010	2.7
121.01679	5.0
123.04016	2.5
124.02470	2.4
131.01923	11.8
132.02017	2.9
132.05057	3.0
133.01668	4.8
133.03413	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	113.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05514	7.2
56.05846	0.6
56.96559	2.2
57.03444	8.4
57.07069	1.1
65.03938	2.8
67.01858	4.0
67.05510	31.6
68.05022	1.7
69.03454	3.4
69.03762	0.7
69.07059	2.4
70.02956	6.1
70.06592	1.3
71.04999	24.7
71.36242	1.4
71.94102	3.2
71.95251	1.0
72.93407	0.9
72.93793	15.1
73.60450	0.7
82.62145	0.6
83.04982	2.3
83.08614	0.9
85.02891	0.8
85.06554	5.0
88.79719	0.6
89.00238	0.8
89.50372	1.1
90.00139	1.9
90.94846	6.7
93.07062	0.7
95.01345	4.4
95.04967	11.6
95.06091	1.5
95.08060	1.2
95.08619	15.9
96.00886	3.0
98.04679	0.6
98.50819	1.4
99.00655	3.0
113.00076	3.8
113.02375	100.0
113.03497	10.3
113.06003	14.3
113.07199	1.4
113.07935	1.2
113.09650	17.9
113.10806	0.7
113.96411	1.6
114.02689	1.1
114.05567	1.6
114.09160	4.0
131.97418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05273	1.7
55.05515	24.5
57.07079	1.4
58.06590	3.5
67.05500	2.7
69.07071	100.0
70.06253	1.5
70.06596	18.4
71.03230	1.7
71.64758	1.0
72.95991	0.8
83.06101	2.9
90.00809	1.0
95.06096	0.9
97.83059	0.9
103.26828	0.8
111.04463	1.0
111.05572	7.2
111.06349	2.0
111.09207	55.6
112.08736	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	112.0508
Annotation	Cytosine
Peak:m/z	Relative Intensity
51.16331	0.2
53.03930	0.3
55.01878	0.4
55.05488	0.3
56.05018	0.3
56.96565	8.6
57.03436	0.6
62.08322	0.2
67.02983	0.3
68.01392	0.5
68.05028	0.4
69.03416	0.7
69.04173	0.3
69.04551	6.5
70.02948	2.0
70.06592	0.8
70.98131	1.4
71.02988	0.8
71.54829	0.2
71.94084	0.2
71.95233	0.5
72.52959	0.3
75.01034	1.3
76.51584	0.3
77.00783	0.2
78.52964	0.3
79.01861	0.5
81.03423	0.3
82.01426	0.9
83.01522	0.3
84.01113	0.3
84.01567	3.2
84.08135	0.3
84.96035	0.2
85.00795	0.2
86.51826	0.3
86.52686	0.2
88.51549	0.3
88.79084	0.2
88.99149	0.6
89.00252	0.4
89.00757	0.2
89.52346	0.3
93.02089	0.7
94.04058	2.4
95.02454	18.8
95.06087	5.1
95.52339	0.4
97.99183	0.9
98.01297	0.5
98.97578	3.1
100.02479	2.1
100.54250	0.3
101.00820	0.3
101.02562	0.3
110.01299	0.3
110.97591	0.2
112.05090	100.0
112.07604	1.3
112.11266	0.6
113.02354	0.5
113.03503	0.7
113.07129	1.5
116.00189	0.2
116.98612	2.1
118.03529	1.1
119.01925	1.0
128.98630	0.3
131.00186	0.2
131.01886	0.4
134.99678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
77.80389	0.1
81.03413	0.1
84.96044	1.3
95.04994	0.1
98.20776	0.6
105.03395	4.8
106.03722	0.2
107.04965	0.8
110.97568	0.3
124.99152	0.2
127.03927	0.4
128.98592	0.2
140.98566	0.3
143.00153	0.3
148.99052	0.2
150.41298	0.1
152.98668	0.4
160.99184	0.5
161.01233	0.2
161.86266	0.1
167.00217	0.3
170.99655	0.9
179.00153	2.0
185.01205	0.3
189.00714	0.4
195.00563	2.0
196.99397	0.3
197.01234	6.5
201.00777	0.5
215.02286	2.1
219.01810	0.2
220.02852	0.6
235.02808	0.2
238.03868	0.2
239.02339	0.2
247.02899	0.5
247.78328	0.1
263.02283	0.7
265.03870	0.7
267.08640	0.7
275.02438	0.2
281.03360	0.1
285.04407	0.4
293.03326	0.2
303.01672	0.5
303.04910	0.1
305.03427	1.7
321.02811	1.1
323.04404	1.7
339.03918	0.4
341.05554	0.3
378.06668	0.1
411.07681	1.1
415.07172	0.1
427.07083	0.2
429.08603	4.8
447.09613	1.9
452.10077	0.4
461.08270	0.2
470.11481	0.2
523.13635	0.4
535.12958	0.2
539.12201	1.7
547.46283	0.2
551.12653	0.2
567.12646	100.0
568.12915	3.2
603.30786	0.2
907.14685	0.2
1004.56787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.59510	0.4
53.03710	0.4
53.03947	5.8
54.12519	0.3
55.01870	0.8
55.05304	0.4
55.05516	4.2
65.03941	7.7
66.04723	0.6
67.05506	41.8
69.07061	2.4
69.92463	2.0
74.99853	0.4
79.05499	13.9
81.03418	8.9
81.07057	41.3
83.37155	0.4
86.00696	1.6
86.50623	1.0
87.00475	2.6
87.61715	0.4
91.05483	25.6
92.05830	0.6
94.04189	33.2
94.07804	0.5
107.04959	18.0
107.08598	1.8
109.02885	2.4
109.06520	100.0
109.10158	25.4
110.06028	1.4
110.06795	0.6
111.04491	2.6
111.96866	0.7
113.96410	1.0
119.06046	2.2
121.04008	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	5.5
55.05510	8.2
63.33680	0.9
65.03947	6.7
67.05508	100.0
69.07079	5.1
69.40841	7.1
72.62325	1.0
79.05500	12.7
80.06271	1.4
81.03417	5.8
81.07057	51.3
87.00475	1.4
91.04976	1.3
91.05494	15.3
94.04189	21.4
94.07815	1.3
100.85008	1.0
107.04967	10.2
107.08602	3.4
109.02895	1.5
109.06522	60.6
109.10162	79.8
119.06100	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01873	1.4
55.05515	10.8
60.94876	1.0
65.03944	8.0
67.05505	100.0
67.83753	1.0
69.07069	6.3
71.38282	2.1
79.05072	1.9
79.05495	20.6
81.03416	11.2
81.07056	51.2
86.50622	2.0
87.00453	3.2
91.05481	17.1
94.04185	20.4
94.07816	1.3
99.93412	0.9
107.04953	8.9
107.08608	3.9
109.02880	3.5
109.06521	69.8
109.10159	78.7
110.06051	2.2
111.96825	1.1
117.33055	1.0
119.06078	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03953	8.7
55.01873	3.4
55.05511	9.8
65.03946	6.3
65.08236	0.7
67.05509	100.0
69.07070	6.8
69.67892	2.0
69.68318	2.6
77.31168	0.6
77.99953	0.9
79.05499	26.8
80.06264	1.4
81.03420	9.6
81.07063	49.5
86.00706	2.9
86.50607	1.1
87.00465	4.8
91.05484	8.2
94.04198	5.3
94.07864	1.7
95.05000	0.8
102.12006	0.7
107.04966	2.9
107.08600	3.5
109.02877	3.0
109.06527	72.3
109.10163	57.7
110.06052	2.4
110.06800	1.0
110.10503	0.8
110.38902	0.9
113.96397	1.1
116.99950	0.7
129.14473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03951	3.4
55.01860	1.5
55.05514	3.5
65.03937	8.0
67.05509	31.2
68.83051	0.7
69.07075	2.0
70.65016	2.1
72.00846	0.5
79.05496	11.1
81.03437	5.0
81.07062	36.3
86.00688	1.1
91.05484	24.2
94.04192	30.1
94.07837	0.7
98.21619	0.7
107.04964	15.3
107.08575	0.7
109.02895	1.3
109.06522	100.0
109.10161	18.6
110.06113	0.6
110.06888	0.9
111.04439	2.0
119.06076	2.5
121.03993	1.8
123.06390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.84147	0.5
51.53835	0.6
53.03951	8.3
55.01871	3.9
55.05510	2.8
65.03938	3.3
66.04720	1.2
67.05507	33.3
69.07052	1.8
70.81944	1.2
79.05021	0.8
79.05494	28.5
81.03425	11.3
81.07060	37.8
86.00708	3.8
86.50617	1.7
87.00467	5.5
91.05489	11.2
94.04193	3.9
95.51149	1.2
107.04953	1.9
107.08588	0.9
109.02866	3.5
109.06520	100.0
109.10157	23.0
110.06048	2.2
110.06777	0.8
111.96883	1.1
112.96673	0.7
113.96410	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	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02386	0.7
53.03951	5.7
54.78943	0.5
55.01875	4.0
55.05501	1.9
56.63128	0.4
63.07231	0.4
63.39549	0.4
65.03958	2.9
66.04736	0.8
67.05510	21.0
69.07066	1.3
69.52770	1.0
69.53177	2.0
71.80032	0.5
74.88895	0.4
74.99841	0.5
79.05499	28.3
81.03423	5.3
81.07063	32.3
86.00713	1.3
86.50624	0.4
87.00462	2.4
91.05490	10.2
94.04199	4.2
107.04960	2.7
107.08610	1.2
109.02879	1.6
109.06525	100.0
109.10162	14.3
110.06040	0.8
110.06860	0.7
110.60210	0.5
112.17075	0.4
113.96446	1.0
119.74264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03947	7.8
55.01874	4.1
55.05511	3.5
55.27324	0.5
63.63042	0.6
65.03947	3.3
66.04712	1.0
67.05506	37.6
69.07069	1.3
70.81467	0.7
70.81793	1.0
77.00162	0.8
79.05495	31.1
81.03415	8.5
81.07059	36.9
86.00703	2.1
86.50635	1.1
87.00445	3.1
91.05482	9.3
93.54916	0.5
94.04186	4.1
107.04965	1.9
107.08596	1.1
109.02873	2.6
109.06519	100.0
109.10162	22.5
109.10925	0.9
110.06060	2.5
111.62527	0.6
113.96426	0.9
115.25866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.20668	0.4
52.58744	0.4
53.03943	2.8
55.01862	1.0
55.05500	1.5
63.48631	0.4
65.03942	6.6
66.04729	0.4
67.05509	13.5
68.00698	0.4
70.16830	0.4
70.53922	1.2
74.99843	0.5
77.00175	0.7
77.50063	0.5
77.99940	0.5
79.05067	0.8
79.05494	10.5
81.03420	4.0
81.07058	30.7
86.00706	3.0
86.50617	1.0
87.00469	5.0
91.05483	25.7
94.04189	36.3
95.04982	0.7
98.51260	0.9
107.04954	18.0
107.08604	0.5
109.02857	1.5
109.06518	100.0
109.10161	6.8
110.06026	1.7
110.06761	0.6
111.04460	3.1
111.96867	1.5
112.96692	0.8
113.38092	0.5
113.96386	2.0
115.52293	0.4
119.06045	2.4
121.03992	2.0
129.97923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05466	0.2
81.07020	0.3
93.07031	0.2
95.04903	0.2
96.54060	0.2
113.97449	0.2
154.15633	0.2
154.79547	0.2
161.71082	0.2
225.21436	0.2
245.07259	0.2
334.97388	0.2
368.66162	0.2
396.12289	0.3
397.13031	0.9
398.13306	0.4
399.14734	0.4
409.13242	0.4
410.13818	0.9
411.14594	2.9
412.15356	2.2
413.16016	1.3
423.14850	0.9
424.10861	0.5
424.16296	1.4
425.16324	6.8
426.05219	0.2
426.16818	4.1
427.17847	1.1
428.18860	0.9
437.12054	0.5
437.17017	0.3
438.12170	1.4
438.17972	0.4
439.13483	9.0
440.19067	3.8
441.19308	22.1
442.19427	1.7
451.13525	0.4
451.18399	0.3
452.14188	1.8
453.15323	10.5
454.15845	2.5
455.16940	0.3
457.14719	0.4
458.15903	0.3
463.14194	0.5
464.14529	0.3
465.15652	0.6
466.17160	0.8
467.17239	18.3
468.17914	9.0
468.27896	0.2
469.18878	8.8
470.18698	0.6
471.16583	0.5
472.17365	0.3
478.16077	0.4
479.17786	0.3
480.17969	0.5
481.14740	11.2
482.15271	2.2
483.16678	0.3
485.18301	0.7
494.17230	0.2
495.16211	6.2
496.17120	11.6
497.18018	2.5
498.19528	0.4
499.20651	0.8
508.19363	0.6
509.18304	1.8
510.19070	0.3
512.20477	0.7
513.19141	0.2
514.22443	2.3
522.17883	0.6
523.19708	1.6
524.20764	0.2
525.17615	0.3
526.18469	0.2
527.23535	2.7
528.20026	0.3
536.19366	0.3
537.19421	0.9
539.19312	0.5
540.20111	0.3
541.21423	0.2
542.21106	0.8
545.23859	0.4
551.19153	0.3
555.22424	22.0
556.22491	1.4
568.19727	0.5
569.20703	0.2
573.23364	0.3
583.21912	68.6
584.22150	4.9
586.20685	0.7
587.25153	1.4
599.22089	0.2
600.21503	0.2
611.21301	1.9
614.23920	0.9
615.24573	5.6
616.24921	0.3
628.21106	0.3
642.23254	5.4
643.23944	100.0
644.24207	6.0
783.56055	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	1079.316
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03916	1.1
79.05492	1.1
80.28717	0.1
81.03422	0.6
85.02900	0.4
95.04971	4.0
96.90156	0.1
97.02882	1.4
99.04465	0.5
105.03391	59.2
105.04536	1.8
106.03697	0.9
107.04952	4.8
108.05302	0.2
109.02870	0.5
117.03165	0.1
118.03921	1.3
123.04439	0.5
127.03913	3.9
129.03117	0.6
130.03920	0.6
133.02612	13.3
134.03398	0.6
135.00598	0.2
135.04161	4.2
145.02573	0.2
145.04985	0.2
160.01309	0.3
161.02129	0.9
162.02882	14.1
163.03665	0.5
167.03195	0.6
169.03493	0.2
169.04761	0.7
179.03152	9.4
181.03535	0.3
190.56665	0.1
199.04591	0.3
201.05272	0.5
211.07339	0.9
223.07251	0.2
224.08130	0.4
225.08972	0.4
227.06798	1.2
229.08356	2.0
231.06664	0.3
237.05231	2.0
241.08372	1.7
249.07788	0.3
251.06847	0.3
253.04787	0.4
254.05600	0.2
255.06296	5.9
257.07980	0.2
267.08734	0.5
268.07117	0.4
271.05881	0.4
273.04315	0.3
273.07336	6.3
289.06821	15.1
290.07358	0.2
297.07352	1.0
307.07248	0.3
317.06488	0.5
335.07373	2.5
335.12195	0.2
351.11942	0.2
361.10916	0.2
379.10669	0.1
395.10962	2.2
397.12527	0.2
401.11865	0.3
411.10654	0.4
413.11978	3.2
489.15170	0.2
507.16360	0.9
534.15009	3.8
534.22839	0.2
551.15265	9.0
552.15625	0.2
580.99304	0.1
601.20612	0.1
627.17969	0.2
645.19373	6.9
646.19452	0.2
689.18378	0.4
707.19415	7.2
708.20172	0.2
973.27106	0.5
1017.31787	0.3
1079.31531	100.0
1080.31799	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	1074.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03915	1.7
79.05490	3.0
81.03419	0.8
83.01336	0.1
83.04984	0.2
85.02905	0.5
91.05472	1.1
93.03409	0.1
95.04965	6.7
97.02887	1.6
98.20793	0.1
98.47713	0.1
99.04446	0.5
105.03389	100.0
105.04521	2.7
106.03705	0.7
107.04947	44.4
108.05276	0.3
109.02869	1.0
111.04440	1.6
115.05447	0.1
118.06530	0.2
119.04935	2.6
121.02872	1.0
123.04426	1.2
127.03912	7.0
128.06198	0.1
129.06992	0.2
131.04889	0.1
137.05974	0.4
139.03894	1.5
142.07755	0.1
143.08539	0.1
144.05695	0.1
145.04953	0.5
145.06444	0.1
152.06219	0.2
157.05124	0.1
157.06503	0.3
157.10101	0.2
159.08023	0.1
165.06995	0.2
167.08569	0.3
170.07329	0.2
171.08022	0.2
183.08070	0.2
185.05864	0.1
185.09633	0.4
187.07521	0.1
189.05431	0.3
195.06438	0.1
195.08052	0.4
197.06017	0.1
198.06671	0.1
198.54922	0.1
199.07544	0.5
209.05928	0.1
211.07478	0.1
213.09094	21.4
214.09453	0.3
215.06989	0.1
227.07021	0.2
231.06516	3.7
232.06752	0.1
233.08006	0.1
245.08070	0.4
249.07576	4.9
265.07071	0.3
267.08615	28.9
268.08936	0.5
277.07022	1.3
295.08096	1.3
339.11865	0.1
349.29550	0.1
355.11749	0.7
365.10284	0.1
373.12805	1.2
383.11243	0.1
401.12326	0.6
694.50891	0.1
928.19818	0.1
1091.01050	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03946	4.3
55.01855	1.0
58.64296	0.5
60.90111	0.4
61.60744	0.4
61.91143	0.4
65.03942	10.6
67.05500	2.5
70.58480	0.4
70.86397	1.0
77.03924	1.2
79.05494	22.8
81.03433	0.6
91.05482	100.0
92.05775	0.6
92.06297	2.5
95.04965	4.0
103.05438	0.5
105.04520	1.8
105.07034	33.6
106.04166	2.0
107.04959	17.4
107.08595	52.1
109.06517	13.4
112.92137	0.4
118.82132	0.5
119.05221	0.7
119.06069	10.7
124.05239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03941	1.8
55.01881	0.9
65.03608	0.7
65.03941	11.7
67.05504	2.5
69.66033	1.4
69.66453	0.9
77.03938	0.9
79.05492	16.6
84.88090	0.3
91.05480	100.0
92.06279	1.9
95.04986	2.0
103.52250	0.3
104.27089	0.3
105.04546	0.6
105.07030	35.0
106.04184	2.3
106.07363	0.5
107.04955	7.4
107.08593	54.5
107.64928	0.3
109.06518	14.4
119.06068	11.0
124.05227	0.7
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
53.03957	3.2
56.96586	0.8
64.41387	0.6
65.03944	10.8
66.72272	0.6
67.05500	3.1
69.74172	3.5
71.55624	0.6
77.03931	1.0
79.05495	21.5
84.01588	0.7
86.31451	0.7
91.05484	100.0
92.06282	2.7
95.04972	2.4
98.20830	0.9
105.04546	0.8
105.07036	35.7
106.04177	1.5
107.04962	13.1
107.08599	55.7
107.77779	0.6
109.06516	15.8
119.06071	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	1074.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03543	0.0
77.03922	1.8
79.05494	3.2
81.03421	1.0
83.01328	0.2
83.04980	0.1
85.02908	0.4
91.05470	0.6
95.04974	5.8
97.02898	1.9
99.04464	0.6
105.03396	100.0
106.03708	0.7
107.04953	45.3
108.05293	0.3
109.02873	1.0
111.04433	0.2
118.06543	0.2
119.04945	1.5
121.02857	0.2
123.04441	1.0
127.03918	6.9
128.06157	0.0
129.06937	0.1
131.04927	0.1
137.05910	0.2
139.03885	0.2
142.07773	0.1
143.03421	0.1
145.04951	0.6
145.06473	0.1
151.03897	0.1
152.06233	0.1
157.06493	0.1
157.10138	0.1
165.07018	0.1
167.08589	0.3
169.06508	0.1
170.07253	0.1
171.08121	0.1
183.08067	0.1
185.05960	0.1
185.09653	0.3
189.05417	0.3
195.08061	0.2
198.06746	0.1
199.07524	0.1
201.09154	0.1
211.07512	0.2
213.09108	13.7
214.09409	0.1
215.06996	0.1
217.08553	0.0
227.65031	0.0
231.06534	4.2
232.06911	0.1
233.08116	0.1
244.36031	0.0
245.08064	0.1
249.07596	4.3
264.76843	0.0
265.07068	0.5
267.08636	33.7
268.09000	0.4
277.07089	0.2
279.08560	0.1
332.40164	0.0
355.11209	0.0
373.12839	1.3
373.17627	0.1
383.11298	0.1
405.11896	0.4
485.36807	0.0
519.89026	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03953	8.4
55.01862	1.2
60.93421	0.6
62.99068	0.8
65.03619	0.7
65.03946	11.7
67.05511	4.0
69.82655	3.7
74.68731	0.6
77.03930	2.6
79.05499	41.5
81.03418	0.7
84.01580	1.4
91.05489	100.0
92.05803	0.6
92.06277	2.9
95.04981	8.2
105.04531	3.6
105.07040	34.5
106.04198	1.4
107.04967	35.6
107.08603	53.8
109.06532	11.9
114.70219	0.6
119.06086	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.6
51.02391	3.0
53.03953	20.1
54.79906	0.4
55.01870	1.6
62.99062	0.5
65.03946	6.3
67.05505	2.3
69.63850	1.1
69.64265	1.3
77.03937	5.7
77.91317	0.4
79.05499	70.8
81.03414	2.2
91.05489	64.5
92.06267	1.6
95.04976	20.5
98.21461	0.8
100.17505	0.4
105.03842	0.7
105.04527	10.0
105.07037	23.3
106.04170	0.9
107.04963	100.0
107.08601	35.3
107.09185	0.5
108.05276	1.2
109.06520	9.3
118.06527	0.6
119.06085	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	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.5
51.02377	2.3
53.03948	20.5
55.01880	1.4
58.05412	0.2
59.23427	0.3
62.38395	0.3
63.60518	0.2
65.03934	0.8
67.05505	0.5
69.26550	2.4
77.03928	5.9
79.05495	66.2
79.92133	0.3
81.03443	1.8
84.01631	0.3
91.05484	6.7
95.04969	21.5
98.21517	0.5
99.82143	0.3
105.04520	11.6
105.07040	1.9
107.04957	100.0
107.08587	3.6
108.05296	0.7
109.06519	0.8
119.06048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01594	0.8
51.02388	1.6
53.03949	16.3
54.22907	0.2
55.01875	1.3
65.03934	0.2
67.05501	0.1
68.99782	0.3
71.56951	0.2
71.91845	0.2
77.03932	6.3
78.04697	0.2
79.05495	65.1
80.05830	0.5
81.03422	2.4
90.09689	0.2
91.05486	2.5
95.04973	21.4
100.51952	0.1
105.04520	11.7
105.07000	0.8
107.04959	100.0
107.08595	1.3
108.02129	0.2
108.05250	0.7
109.06513	0.4
118.06544	0.6
119.06052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01598	0.4
51.02374	2.6
53.03951	23.7
55.01870	1.0
69.35428	2.5
69.35825	0.5
69.55510	0.4
77.03928	7.6
79.05497	66.9
81.03439	2.2
81.81061	0.3
84.68828	0.4
95.04974	23.5
100.27424	0.3
105.03839	0.7
105.04524	10.7
107.04961	100.0
108.05317	0.6
118.06551	0.7
124.50729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02391	2.0
51.13715	0.4
53.03952	22.7
54.72710	0.4
55.01874	0.9
70.68967	1.1
77.03934	6.6
79.05502	67.3
80.05830	0.8
81.03420	2.0
91.05482	3.6
95.04981	21.2
105.04524	11.1
105.07026	0.7
107.04965	100.0
107.08592	2.1
108.05270	1.1
119.06030	0.7
123.95947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01587	0.8
51.02373	1.9
53.03947	16.5
53.38857	0.5
55.01886	1.3
55.21965	0.5
55.52779	0.5
56.96556	1.2
57.24137	0.5
62.99065	1.1
65.03942	6.4
67.05491	2.2
69.19581	5.7
73.82774	0.6
75.01048	0.7
76.90115	0.5
77.03928	3.5
79.05495	69.2
80.40385	0.5
81.03432	1.7
84.01569	0.6
91.05484	54.5
92.06271	0.9
95.04971	18.2
105.04526	10.2
105.07034	17.9
105.64896	0.6
106.06566	0.6
107.04961	100.0
107.08603	26.8
109.06526	6.1
114.70818	0.6
118.96072	0.5
119.06065	5.8
121.42357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01586	0.6
51.02381	2.1
53.03948	21.3
54.57616	0.3
55.01873	1.3
56.96561	0.6
65.03939	1.4
67.05521	1.1
69.67625	0.4
73.77724	0.3
75.92183	0.4
77.03928	5.2
79.05496	71.5
80.05827	0.7
80.49023	0.3
81.03416	2.2
91.05482	10.5
92.06286	0.5
95.04973	23.3
98.20670	0.9
101.22355	0.3
105.04515	11.4
105.07036	3.9
105.17715	0.3
107.04958	100.0
107.08602	4.7
108.05294	1.1
109.06536	1.2
118.06566	0.8
119.06046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01611	0.5
51.02385	1.4
53.03950	19.9
55.01873	1.1
70.97301	0.9
77.03934	6.4
79.05497	63.6
80.05827	0.5
81.03418	2.2
91.05488	1.0
95.04973	21.3
96.72379	0.4
105.03844	0.8
105.04525	10.6
107.04961	100.0
108.05264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.0
53.03951	22.2
54.21969	0.4
54.63192	0.5
55.01872	2.2
65.03938	4.2
67.05505	0.7
71.20948	0.9
77.03933	7.0
79.05498	69.4
80.02634	0.5
81.03417	2.4
91.05486	38.6
92.06259	1.5
95.04974	23.7
105.04523	10.7
105.07034	13.5
105.07688	1.0
106.04190	0.6
107.04963	100.0
107.08598	21.4
108.05293	0.7
109.06521	5.3
119.06079	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01592	0.7
51.02386	1.8
53.03951	17.0
55.01875	1.3
56.96561	0.3
62.99080	0.3
65.03957	0.3
66.00504	0.2
66.66451	0.1
71.54029	0.3
75.01022	0.3
77.03930	4.7
79.05497	62.1
80.05810	0.4
81.03424	1.9
84.01577	0.4
91.05485	2.0
91.20928	0.2
94.62064	0.1
95.04974	20.7
95.52320	0.2
105.04522	10.5
105.07042	0.8
107.04961	100.0
107.08598	1.2
108.05304	0.7
109.06536	0.2
118.06519	0.7
119.06080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01593	0.6
50.68987	0.3
51.02382	2.0
53.03948	24.0
55.01880	1.3
56.96569	0.3
57.02536	0.3
59.06628	0.3
65.03943	1.4
66.48714	0.3
67.05494	0.5
77.03928	4.7
79.05495	66.3
79.15814	0.4
80.05843	0.6
81.03420	2.9
91.04953	0.3
91.05480	7.7
95.04970	22.7
105.04520	10.8
105.07038	2.1
107.04957	100.0
107.08576	3.8
108.05272	1.0
109.06493	0.5
118.05786	0.3
118.06550	0.8
119.06062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.6433
Annotation	Unknow
Peak:m/z	Relative Intensity
77.76809	0.2
79.05489	0.4
81.07064	0.6
91.05492	0.2
93.07065	0.5
93.91767	0.1
94.02967	0.1
95.08614	0.7
105.07052	0.3
107.08595	0.5
109.10150	0.4
114.76427	0.2
119.08617	0.3
121.10151	0.4
123.11696	0.3
131.01854	0.2
133.03499	0.3
133.10127	0.3
135.11737	0.2
135.22128	0.2
143.01930	0.2
146.98271	0.2
152.78833	0.2
159.11797	0.2
161.02919	0.3
173.13206	0.2
180.84387	0.2
184.07338	0.2
203.05342	0.5
257.15207	0.3
259.08051	0.3
269.10648	0.2
301.20139	4.2
319.21329	0.4
333.15240	0.3
342.22910	0.6
433.30606	0.2
441.33755	0.2
445.30630	0.3
451.28778	0.3
461.30246	0.3
463.31891	1.5
479.31363	0.5
481.32919	2.6
489.30048	0.8
495.27783	0.5
497.32108	0.4
507.30823	7.0
508.31390	0.2
513.29535	0.5
525.31927	27.8
526.32397	0.9
531.30768	0.3
534.30560	0.3
537.30359	53.8
538.30695	1.5
540.32068	3.0
540.82214	1.3
542.32281	0.3
543.32941	100.0
544.33331	2.9
559.29755	0.3
577.30695	0.2
791.48059	0.3
800.49011	2.2
800.99457	1.1
1039.62048	0.3
1057.63818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03902	1.4
78.75942	0.2
79.05495	3.6
81.03412	0.8
85.02907	0.8
91.05465	0.7
95.04978	4.3
97.02896	1.1
97.50871	0.2
99.04456	0.6
105.03397	100.0
105.04541	2.4
106.03735	0.8
107.04958	60.7
108.05282	0.5
109.02878	1.0
119.04941	1.5
123.04427	0.8
127.03927	6.8
139.03966	0.2
140.11444	0.2
145.04970	0.7
167.08597	0.2
189.05344	0.2
201.09070	0.3
211.07265	0.2
212.92749	0.2
213.09119	5.4
219.10263	0.2
229.08644	0.4
231.06548	4.1
249.07637	4.2
265.07095	0.3
267.08646	33.1
268.08960	0.5
300.47189	0.2
348.82538	0.2
373.12732	0.6
389.12177	0.2
464.96255	0.2
531.14038	0.2
553.16626	0.7
926.61621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.8
51.02382	7.3
53.01362	0.7
53.03951	78.8
55.01872	4.7
55.75737	0.6
68.99790	0.9
69.22618	6.1
74.89448	0.6
77.03934	19.5
79.05499	9.2
81.03431	8.7
95.04974	77.8
103.05489	6.3
105.03403	100.0
105.04492	41.5
105.07032	31.9
105.11080	0.6
118.06554	1.9
118.48524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	2.1
51.02379	9.7
53.03949	88.6
55.01868	4.9
58.06583	0.7
59.06929	1.8
60.95846	3.0
68.99778	1.8
69.25771	1.9
69.26187	5.2
77.03934	16.5
79.05497	18.7
81.01508	1.3
81.03419	9.7
90.96412	0.7
91.48174	1.1
91.54620	0.7
95.04974	93.8
103.05464	11.2
105.03402	100.0
105.04495	47.7
105.07030	52.6
105.11102	1.5
113.58498	0.8
118.06559	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	2.0
51.02381	9.1
53.03951	94.4
55.01873	4.8
60.95876	1.7
65.03934	1.4
70.80697	3.4
77.03938	18.3
79.05499	32.2
81.03430	8.3
95.04974	86.6
103.05473	19.6
105.03405	100.0
105.04501	43.9
105.07036	87.5
105.11104	1.8
119.82787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03925	1.4
79.05492	3.1
81.03391	1.3
85.02904	0.8
88.08238	0.3
91.05470	1.0
93.07021	0.5
94.43146	0.3
95.04974	4.6
97.02883	1.6
99.04449	0.8
105.03394	100.0
106.03724	4.0
107.04958	44.2
108.05292	0.6
109.02882	1.0
114.00098	0.3
119.04966	1.2
121.02905	0.6
123.04427	0.9
127.03919	6.6
137.06017	0.6
139.03899	0.6
145.04988	0.8
145.71884	0.3
185.09726	0.4
189.05606	0.5
213.09113	5.4
231.06534	3.8
249.07600	4.3
250.07903	0.4
265.07303	0.5
267.05988	1.0
267.08640	24.7
268.08969	1.7
337.30591	0.3
369.10526	0.4
387.11343	0.6
405.06909	0.6
405.11685	2.8
406.12170	1.4
507.17990	0.3
512.17645	0.5
539.13861	0.3
551.15961	0.6
596.34827	0.3
667.84119	0.3
924.82465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.6868
Annotation	Unknow
Peak:m/z	Relative Intensity
72.66459	0.3
73.02865	0.5
79.05486	4.8
81.07058	16.9
83.04980	4.2
83.08608	3.7
85.02847	0.7
85.06544	3.2
87.04397	1.0
88.45198	0.4
91.03903	0.6
91.05480	4.0
93.07044	10.5
95.04913	1.3
95.08607	25.4
95.09165	1.1
96.08910	0.5
97.02820	1.5
97.06466	0.7
97.10176	2.1
98.21522	0.8
99.08096	3.9
101.06017	12.1
105.07027	7.0
107.08591	12.9
109.06482	0.6
109.10158	17.2
111.08011	1.5
111.11652	1.5
114.20036	0.5
115.03860	0.4
115.05402	0.4
115.07488	0.3
117.06937	1.6
119.08578	10.1
121.10144	19.0
122.10420	0.4
123.08036	0.8
123.11709	14.3
125.09541	0.5
127.03860	0.5
129.05481	21.2
129.06950	1.6
129.09079	0.7
131.08569	4.4
133.03445	1.8
133.06480	0.5
133.10132	16.0
135.07976	1.0
135.11700	12.1
137.09604	0.5
137.13242	4.2
139.11086	1.2
143.01846	1.0
143.08556	2.7
144.09247	0.6
145.06392	0.4
145.10123	8.4
147.08052	0.8
147.11688	8.9
149.09529	1.2
149.12244	0.4
149.13254	5.7
151.04468	0.6
151.07494	0.4
151.14746	0.7
155.08501	0.8
156.04950	0.5
156.09294	1.0
157.08568	1.6
157.10043	5.3
158.10828	0.5
159.11696	10.8
160.12288	0.5
161.02884	0.9
161.09534	1.1
161.13261	6.0
163.07483	0.9
163.11075	1.1
163.14726	1.5
165.09061	1.3
165.16216	0.3
167.14217	0.6
169.08705	0.4
169.10045	1.5
170.10942	0.5
171.11687	6.2
172.12393	0.6
173.02924	0.4
173.09689	0.7
173.13260	10.4
174.13927	0.6
175.04503	0.6
175.07555	0.5
175.11111	0.7
175.14809	3.6
177.09079	1.0
177.16342	1.0
179.07024	0.4
179.10655	1.8
179.14279	0.3
183.10059	1.1
183.11633	2.4
184.07298	0.6
184.12344	0.5
185.02725	0.4
185.11639	3.7
185.13196	6.1
186.13953	0.6
187.04424	0.7
187.14825	11.4
188.15565	0.5
189.09062	0.6
189.12761	0.4
189.16367	3.2
191.10608	0.7
191.14217	0.6
191.17892	0.5
193.12109	1.0
195.11618	0.6
196.12439	0.5
197.11691	0.8
197.13205	2.3
199.10991	0.5
199.14795	4.1
200.15572	0.5
201.06035	0.5
201.12692	0.6
201.16385	3.3
203.10649	0.4
203.14388	0.4
203.17931	2.3
205.12183	0.5
209.13213	0.9
211.13098	0.8
211.14954	1.8
212.15543	0.6
213.12755	0.5
213.16383	4.0
215.14323	0.8
215.17915	2.9
217.12270	0.6
217.19429	1.6
219.13844	0.8
219.15901	0.4
223.14818	0.8
225.16454	1.9
226.16927	0.4
227.17970	3.8
228.18608	0.4
229.12389	0.7
229.17381	0.6
229.19510	9.7
231.21080	0.8
235.13132	0.6
239.17937	2.5
241.17284	0.5
241.19508	8.4
242.20242	0.5
243.13840	0.4
243.21077	5.3
247.13058	0.4
253.19543	2.5
255.13797	0.5
255.21086	7.4
256.21704	0.6
257.18826	0.8
257.22647	19.8
261.14746	0.5
265.19473	0.6
267.21133	2.2
269.14944	1.2
269.22662	3.1
269.64963	1.4
271.16724	0.5
271.20480	0.5
271.24072	1.0
273.18390	0.8
273.22098	0.6
275.16431	0.8
279.21237	0.8
281.22614	3.1
282.23477	0.5
283.24197	4.8
285.18408	1.3
285.21542	0.4
285.25623	0.8
287.20175	0.5
289.18085	1.1
289.66116	0.9
293.22681	0.7
295.21167	0.4
295.24222	7.4
296.24942	1.8
297.18619	0.4
297.25778	4.6
299.20050	1.7
299.23288	0.6
301.21143	4.6
302.20401	2.0
303.19525	3.0
307.24084	1.0
309.25745	1.7
311.23947	0.4
311.27298	4.9
313.25522	0.4
313.28867	7.9
315.19653	0.8
315.23123	0.4
317.21088	1.3
319.22729	2.2
323.27353	1.6
327.23245	1.4
329.24777	1.2
331.22760	1.1
337.28967	1.4
338.00897	0.4
339.23175	0.7
341.21149	0.7
341.24829	1.3
342.22745	0.5
343.22644	2.1
345.24280	2.8
351.30487	1.1
355.22375	0.6
355.26340	1.1
356.23587	0.5
357.24118	2.5
357.27927	13.5
358.24835	2.4
359.25815	5.5
369.24341	0.9
371.25787	2.9
375.30365	1.0
377.32050	3.6
383.25644	1.2
385.27319	1.1
393.31335	1.5
395.28748	2.3
395.34015	2.5
397.31204	0.8
403.24713	2.5
403.29486	0.6
405.31311	1.9
411.28430	0.7
411.33084	0.6
421.31052	8.9
423.32510	0.9
426.31323	1.3
429.26416	0.5
439.32092	33.5
440.07224	0.4
440.32565	0.6
441.33640	48.9
442.33942	1.0
445.28052	1.6
445.78284	2.2
446.28174	1.4
449.30475	5.8
457.33102	11.1
467.31635	4.9
485.32623	100.0
486.32971	3.0
503.26242	0.8
503.33685	13.9
521.33398	0.4
526.30603	6.2
526.80750	12.0
527.30719	6.1
527.80975	1.1
537.29340	1.2
538.29321	0.6
1002.63068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03950	19.7
56.96570	43.8
57.03439	4.2
58.06591	3.1
58.50551	4.9
58.96155	3.6
59.00727	1.0
60.08160	3.0
60.95868	1.8
67.51073	9.3
68.01234	3.9
70.01339	2.7
70.51502	3.4
71.26161	1.8
71.43873	0.8
76.51587	2.5
77.01741	1.2
77.03942	4.9
77.89767	0.8
79.01863	12.6
79.52052	7.0
81.03408	2.5
85.02916	9.5
86.03274	2.0
88.02375	2.8
88.51610	1.0
88.52538	3.0
94.85211	0.8
95.04977	17.9
102.04687	3.7
102.13313	0.8
103.03981	13.4
103.05473	100.0
104.05843	1.1
104.10757	9.0
105.04512	11.0
118.06538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
52.37671	0.1
58.06599	3.3
59.07386	1.1
60.08167	35.6
69.03431	0.3
69.28693	0.2
69.68023	1.0
74.61064	0.2
87.04467	0.7
104.10748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01347	1.4
71.04993	4.3
71.17525	1.7
72.49287	0.8
73.02914	4.7
77.03938	0.8
79.05492	41.5
81.03416	9.3
81.07057	61.5
83.01305	0.9
83.04982	6.6
83.08622	12.6
84.40312	0.8
85.02904	22.7
85.06540	3.4
87.04463	3.2
91.03957	6.5
91.05479	30.8
93.07043	47.9
95.04958	6.7
95.08607	40.3
95.09230	1.0
95.49951	0.7
96.04443	0.8
97.02882	9.5
97.06533	6.1
97.10162	15.8
99.04431	1.4
99.08088	2.0
103.03957	1.1
105.04514	1.2
105.07036	17.0
107.04942	2.7
107.08594	27.1
109.06506	2.5
109.10159	58.7
111.04444	1.6
111.08084	4.6
113.06028	1.1
115.05415	1.3
117.07028	9.0
119.08579	16.1
121.06483	1.3
121.10147	21.3
123.04356	1.1
123.08064	3.3
123.11709	4.8
125.09625	12.4
127.03928	2.5
129.05508	1.8
129.06996	3.1
131.08583	12.6
133.10147	10.4
135.08047	1.8
135.11696	15.3
137.09605	3.6
137.13211	1.1
139.11172	1.1
143.08530	1.4
143.10686	1.6
145.04929	4.6
145.10118	12.6
147.08078	1.6
147.11703	7.7
149.09619	2.2
149.13295	7.1
151.11212	1.3
153.12766	3.3
155.08588	1.3
155.10663	5.3
157.10152	2.5
159.06625	0.8
159.11690	6.7
161.13252	4.9
163.06041	3.9
163.11183	7.3
163.14795	3.0
165.12730	0.9
171.10220	1.1
171.11650	1.2
173.09604	1.7
173.11746	16.8
173.13277	6.1
175.11205	0.9
175.14871	1.7
177.12750	0.8
180.08662	1.3
181.12233	1.8
183.11520	1.0
185.13258	1.2
187.14835	4.6
189.11176	1.4
189.16302	0.9
191.10690	2.1
193.12248	3.7
199.13304	5.8
201.16339	1.0
209.11719	5.5
211.13371	2.3
217.14325	2.0
219.17499	1.0
227.12772	9.2
229.14345	49.7
233.22658	1.0
235.17007	0.9
243.21072	6.0
245.13794	1.5
257.13840	3.3
259.20670	2.3
261.22125	21.2
267.15964	4.5
271.20380	0.8
275.20215	1.1
277.21637	2.0
283.15433	3.1
289.21729	1.4
299.23672	2.2
301.16461	19.5
315.23251	2.3
317.24832	3.5
327.23178	1.0
335.25803	100.0
336.26022	1.3
345.24139	1.0
351.25345	1.3
363.25574	1.1
389.26968	1.4
399.23758	15.0
459.34552	1.7
477.35748	10.7
487.34375	0.9
489.35748	27.7
527.37408	1.8
543.36554	5.2
545.37762	1.5
561.37817	13.0
579.38910	5.4
597.35626	0.9
626.69159	0.9
659.45215	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	1005.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.4
71.04990	0.8
77.03937	2.1
79.05495	8.9
81.03423	23.8
81.06583	0.5
81.07063	8.1
83.04987	3.6
83.08143	0.5
83.08624	7.7
85.02911	4.4
85.06533	0.5
91.05486	9.4
92.36680	0.3
93.03407	0.4
93.07049	4.4
95.04974	16.8
95.08608	2.2
97.02903	1.7
97.06528	1.3
97.10172	3.6
99.04461	0.6
99.08077	0.3
102.84566	0.3
103.05470	0.5
105.03398	100.0
105.04536	3.8
105.07024	7.0
106.03735	1.1
107.04959	15.0
107.08604	3.1
109.02886	4.1
109.06533	1.4
109.10146	0.8
111.04478	1.4
111.08078	3.0
113.05997	0.5
115.05471	0.8
117.07014	1.6
118.06547	0.4
119.04957	0.7
119.08586	6.3
120.05698	0.3
121.02870	2.6
121.06488	1.9
121.10156	2.7
123.04421	1.0
123.08064	1.2
123.11710	0.6
125.06046	0.3
125.09628	2.7
127.03924	1.9
128.06223	0.7
129.07001	4.0
131.04947	2.6
131.08580	3.5
133.06480	2.0
133.10158	3.0
135.04469	0.3
135.08066	1.2
135.11703	0.4
137.06033	0.6
137.09642	0.6
139.03900	0.9
141.06958	0.3
142.07790	0.9
143.08572	0.7
144.05714	2.0
144.06743	0.3
145.06490	2.5
145.10132	1.0
147.04442	0.8
147.08075	1.2
147.11684	4.5
149.06000	0.6
149.09619	2.1
151.03897	0.4
151.07521	0.4
151.11224	0.3
153.12874	0.3
155.08583	0.6
157.06523	0.8
157.10136	4.5
159.04446	0.4
159.08087	0.6
159.11734	0.3
161.05997	0.7
163.11197	1.1
165.05522	0.4
165.12781	1.1
167.07031	0.4
169.06480	0.4
171.08066	1.0
171.10211	0.3
171.11607	0.6
173.06033	0.7
173.09546	0.4
175.11182	4.7
177.05521	0.4
179.07066	0.8
181.06496	0.4
181.12373	0.3
183.08092	0.6
185.09689	0.3
187.07538	0.7
189.05515	0.6
189.11273	1.0
189.12830	0.3
191.10736	0.4
193.12256	16.1
194.12625	0.6
197.09538	0.3
199.07500	0.4
203.07054	0.5
205.12325	0.4
207.13788	0.3
211.07608	0.9
211.13298	24.4
215.07079	0.7
227.12720	2.5
227.14587	0.3
231.06500	3.3
233.15378	0.4
241.14357	0.4
249.07642	3.5
249.14861	1.2
259.13324	0.5
267.08682	5.3
267.15936	8.6
268.09009	0.7
273.14847	1.0
283.15549	0.4
285.16992	10.7
291.15909	0.9
297.15067	0.4
299.16446	11.0
301.07181	0.6
301.14386	1.6
315.15866	0.4
319.15442	1.4
323.16394	0.3
337.16653	1.0
339.19550	0.5
349.21613	0.4
355.19559	0.4
359.22223	0.4
367.22473	1.3
371.18594	1.1
373.20197	3.4
375.18115	0.4
379.21255	0.7
385.23871	1.7
387.18179	0.3
389.19772	3.3
393.19171	1.0
403.24817	0.9
405.19156	0.6
407.18591	1.0
423.20206	2.8
441.19260	0.3
441.26031	0.5
451.26935	0.6
454.27744	0.3
459.20410	1.1
459.27341	7.9
461.20679	0.3
477.22894	0.4
477.28519	10.7
478.28671	0.5
491.28140	0.4
495.29562	9.4
496.29999	0.3
497.21918	0.4
509.29449	0.4
515.22772	1.6
533.23969	0.9
565.31647	2.6
583.32715	8.2
585.30560	1.0
589.33533	1.7
599.31549	0.6
603.31525	1.5
615.32001	0.8
621.32709	0.9
633.32654	9.7
691.35376	0.5
709.35797	0.8
725.35358	1.4
743.35999	2.6
813.38708	0.4
831.39594	0.7
849.40308	0.7
899.41010	0.4
998.45831	0.3
1005.43793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.568
Annotation	Unknow
Peak:m/z	Relative Intensity
114.02578	41.3
115.84261	45.7
221.71149	52.9
277.21704	62.0
278.21936	100.0
307.16040	47.3
312.86465	50.6
359.27817	45.8
815.85699	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
75.98164	33.0
77.71581	36.1
98.19839	100.0
109.83170	30.8
127.62875	35.0
134.23119	34.7
177.59084	35.8
278.22079	42.6
278.96448	36.2
291.93497	37.6
497.49905	32.3
846.67346	39.3
914.37042	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	3.5
71.01380	4.1
71.42120	1.9
71.42472	2.1
81.03446	7.2
83.01382	15.8
85.02928	1.7
92.92780	1.9
93.03441	4.1
95.01388	2.5
95.05005	1.7
96.95992	5.5
97.02937	6.0
99.04500	2.9
101.02438	2.8
104.86454	1.4
109.02959	8.9
113.02482	3.1
121.02908	6.3
122.03733	2.6
123.04509	3.7
125.02435	75.4
126.02787	1.9
135.04468	4.8
137.02428	72.8
139.03946	1.7
146.03726	25.9
147.04469	3.3
149.02406	3.3
150.03297	1.7
151.03954	4.9
158.03636	2.0
159.04526	9.5
160.05264	2.3
161.02451	2.6
161.06049	2.5
163.00365	2.5
164.01157	15.8
165.01906	39.7
167.03474	21.6
172.05333	7.4
173.06010	5.1
174.03149	11.7
174.06792	1.9
175.03975	4.5
176.04788	1.8
177.01913	8.3
179.03461	12.4
186.06815	2.2
187.03989	5.6
188.04744	9.1
189.05557	2.2
197.06044	2.0
200.04744	7.0
201.05441	2.9
204.04199	4.7
211.04071	1.7
211.07579	1.8
211.13283	1.9
212.04797	6.9
213.05621	1.7
225.05534	4.7
226.06453	1.9
237.05659	2.7
239.07083	3.5
252.07858	3.1
255.13733	3.5
268.07196	2.4
269.11752	6.1
270.09018	3.8
271.13361	31.9
272.13391	2.1
277.21732	11.8
283.13290	3.6
285.14841	4.8
287.05557	2.5
287.12595	2.7
288.06436	2.6
289.14407	11.8
294.08902	4.8
295.13434	4.2
297.14935	5.5
299.09787	1.5
299.12875	7.9
301.14450	4.2
309.15024	3.4
313.14423	18.4
315.15961	4.4
317.13943	4.4
320.06583	1.9
325.14444	14.7
331.15527	3.5
331.21722	1.7
335.16351	3.3
337.14301	9.2
343.15457	5.6
351.15936	2.4
353.17529	3.3
355.15466	1.8
377.17371	3.4
393.16940	2.2
395.18555	5.6
401.17249	1.9
419.18616	11.3
437.19644	8.5
438.20139	2.4
442.63300	1.6
463.17578	4.2
567.24603	6.5
591.24469	3.1
673.28534	4.5
717.27454	4.4
785.44299	1.7
811.45563	2.2
827.45923	23.3
828.46747	1.8
839.45740	13.1
840.46692	2.1
851.46136	7.0
857.46881	12.6
858.46777	2.1
933.49713	16.3
934.50067	3.7
951.48529	4.4
959.48132	5.8
977.48871	100.0
978.48907	15.2
995.50043	81.1
996.50018	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	995.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	2.3
71.01366	3.6
81.03452	6.7
83.01384	15.3
85.02957	2.4
89.02454	2.8
90.55237	1.0
93.03453	4.6
95.01376	2.5
95.05024	2.7
96.96056	1.7
97.02932	4.8
98.19915	3.5
99.04535	3.1
101.02409	1.4
107.05016	2.2
108.90189	4.7
109.02921	10.3
119.42837	1.2
120.98182	1.2
121.02941	6.6
122.03716	2.4
123.04494	3.7
124.01636	2.9
125.02437	69.2
133.02910	1.7
135.04507	4.8
137.02432	62.7
139.04007	2.2
146.03735	20.6
146.05533	1.2
147.04521	1.5
149.02386	2.4
150.03253	2.5
151.03987	5.1
159.04515	8.7
160.05267	3.9
160.78694	1.5
161.02510	1.6
161.06070	3.0
162.03217	1.8
164.01129	14.5
165.01909	41.1
167.03485	21.7
172.05237	5.8
173.06065	3.0
174.03185	9.6
174.06831	3.0
175.03972	3.9
176.04771	1.3
177.01900	7.2
179.03496	13.9
184.05219	1.2
185.05977	2.0
186.06808	2.6
187.03993	3.6
188.04755	9.9
199.07518	1.7
200.04771	5.2
201.05539	3.9
202.06189	1.8
204.04245	5.7
209.06015	2.3
210.06808	2.5
212.04611	6.0
213.05481	1.5
225.05557	4.1
226.06281	3.4
237.05702	1.6
239.07167	1.3
244.07275	1.4
251.07054	3.1
252.07811	2.4
253.12181	1.4
268.07349	3.3
269.11810	5.6
270.08932	2.8
271.13364	33.2
272.13788	1.7
277.21759	8.3
283.13403	2.6
285.15005	3.0
287.12881	2.5
288.06284	2.3
289.14484	12.3
294.08936	2.8
295.13315	6.4
297.14767	2.8
299.12759	8.1
301.14413	3.4
312.13757	1.8
313.14398	17.2
315.15955	2.8
317.14001	4.4
325.14474	10.9
327.15948	2.0
331.15353	3.3
335.16461	3.1
337.14371	7.8
343.15500	6.0
351.16003	2.1
353.17578	4.5
355.15408	1.5
377.17661	4.4
379.15842	1.7
393.16849	2.2
395.18600	4.3
401.17529	2.1
419.18536	10.3
420.18719	1.9
437.19739	7.9
445.16241	1.2
463.17563	3.4
464.59012	1.5
481.18781	1.6
567.24500	6.8
579.24731	1.5
597.25647	1.6
673.29004	7.7
717.26990	3.7
827.45728	18.7
839.45758	11.3
851.45868	8.9
857.46307	11.3
893.47052	1.8
909.49506	1.6
933.50360	16.2
934.50195	3.6
951.48767	5.8
959.47870	5.6
977.48969	100.0
978.49188	16.1
995.50043	81.7
996.50403	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	987.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	12.0
71.62920	0.6
73.02950	3.4
81.03450	10.6
81.03919	0.8
83.01394	0.9
83.05019	57.1
84.05364	0.7
85.02928	5.9
89.02415	0.5
93.03452	21.0
95.01389	1.0
96.95993	1.9
97.02948	1.1
99.00871	1.5
101.02435	5.9
101.40789	0.5
107.05026	0.6
108.50973	0.4
109.02944	28.5
111.04510	49.2
112.04836	0.8
113.02438	5.9
121.02946	100.0
122.03289	1.7
123.04515	55.9
124.04884	0.7
125.02451	1.2
127.04021	2.8
137.02432	30.0
143.03461	1.1
149.02422	0.5
154.91815	0.5
155.03491	41.9
156.03856	0.5
159.02986	1.6
161.04543	21.0
171.10240	0.4
173.04543	0.8
191.23706	0.5
205.03491	0.8
209.11813	0.8
210.12019	0.5
233.26460	0.5
261.07526	0.6
265.07153	1.7
267.08850	0.8
273.09711	1.5
285.09772	4.7
299.07578	0.8
309.20547	0.5
317.08716	7.5
341.23242	1.0
377.11957	0.5
388.68454	0.4
389.12372	0.9
405.11816	8.6
421.11481	1.0
423.12906	54.5
424.13184	3.3
517.16968	1.1
527.15546	59.5
528.16040	4.0
561.15900	0.8
665.19116	0.8
667.20618	0.5
697.95453	0.5
904.02917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.3
69.27687	0.8
69.28091	2.3
71.01377	6.9
72.99300	0.9
73.02937	1.3
77.60916	0.4
81.03423	0.5
83.01395	0.9
83.05008	0.5
85.02942	1.7
87.00877	1.3
89.02438	6.1
90.33048	0.3
95.01373	0.9
96.41184	0.3
96.95979	0.7
97.02953	1.1
98.08234	0.3
98.19781	0.6
99.00890	0.6
101.02431	5.5
101.47726	0.3
111.04484	0.4
113.02441	2.9
119.03407	1.5
121.10230	0.7
123.08147	0.5
125.02438	2.8
125.09711	1.3
127.11270	2.5
129.09241	0.4
139.11272	5.5
143.03444	1.0
151.11240	0.6
155.10751	1.3
161.04544	1.6
165.09178	0.8
167.10674	0.3
171.10252	29.8
172.10469	0.7
179.05588	1.4
181.12317	0.5
183.10239	2.3
185.11798	5.2
191.92015	0.3
197.11775	0.9
201.11287	5.1
211.13347	1.3
235.08229	3.1
253.09232	0.8
265.21655	0.5
275.20157	1.9
277.21683	17.8
278.22021	0.7
280.54254	0.3
287.07697	1.2
293.21179	7.1
294.21530	0.5
305.08701	1.3
308.94943	0.3
311.22232	100.0
312.22574	5.0
379.12549	0.4
397.13440	33.7
398.13843	1.1
399.73755	0.4
415.14514	10.4
416.15060	0.5
418.02997	0.3
573.20319	0.4
590.04266	0.3
637.60669	0.3
675.36169	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	985.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83511	13.8
70.14377	2.1
71.01374	80.7
73.02940	27.7
81.03434	5.1
83.01369	19.1
83.05013	42.0
85.02941	51.5
87.00865	4.3
89.02492	4.1
93.03453	7.8
95.01394	9.7
96.95992	5.4
99.00880	10.8
101.02435	67.3
101.03077	4.4
109.02930	18.7
111.04504	16.6
113.02434	28.6
121.02943	94.2
123.04516	19.8
125.02427	5.4
137.02434	26.6
143.03459	2.6
155.03453	25.1
161.04527	26.2
161.09506	2.9
175.33215	2.5
196.30791	2.6
209.11804	4.0
254.62108	2.7
371.17050	100.0
372.17136	3.3
405.11972	20.0
405.39575	2.6
413.17996	22.3
445.05569	3.2
527.15442	30.7
528.15845	3.4
770.70721	2.7
845.91833	3.0
869.64612	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	987.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39619	0.5
71.01375	13.6
71.62968	0.8
73.02940	4.4
77.27599	0.5
81.03445	10.9
83.01378	1.3
83.05015	55.8
85.02937	8.1
87.00839	0.8
89.02448	0.8
93.03445	23.1
95.01379	1.4
96.96011	1.8
97.02921	0.6
99.00885	1.4
101.02434	7.4
104.83398	0.5
107.05006	0.6
109.02937	30.5
111.04505	51.3
112.04862	1.3
113.02433	8.3
121.02940	100.0
122.03292	1.8
123.04508	61.6
124.04861	0.9
125.02402	1.1
127.04034	2.5
131.01779	0.5
132.16565	0.5
135.04485	0.6
137.02426	32.6
143.03465	1.4
145.02928	1.4
149.02399	0.5
150.03194	0.7
155.03482	51.3
156.03780	0.7
159.02965	1.8
161.04538	29.8
165.05524	0.7
173.04428	0.8
177.01917	0.8
191.05594	0.7
205.03392	0.6
225.10568	0.6
261.07791	0.7
265.07108	1.7
267.08725	0.6
273.09723	2.1
285.09708	5.6
299.07654	0.9
317.08755	8.7
327.21725	0.8
339.07016	0.6
343.11655	0.6
347.07370	0.6
389.12411	1.0
405.11884	8.3
406.12225	0.6
421.11215	0.9
423.12891	64.6
424.13370	3.8
459.10406	0.8
527.15509	56.5
528.15613	3.9
561.16046	0.9
867.33844	0.6
987.38489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.3
71.28513	0.2
78.95889	0.8
79.95731	5.0
89.02448	0.2
90.18350	0.1
94.92503	0.3
94.98096	0.2
96.96003	100.0
97.95947	0.2
101.02447	0.1
113.02456	0.1
125.02401	0.1
197.11795	0.3
209.11794	0.5
211.13394	0.1
227.12778	0.1
265.07510	0.3
275.20200	0.1
277.21869	0.1
291.19550	0.3
293.21216	1.2
309.20645	0.9
316.86737	0.1
379.12241	0.1
397.13403	0.6
415.14523	0.3
438.19879	0.1
453.09030	0.1
525.28864	0.2
602.42731	0.1
645.20502	0.2
682.20172	0.1
713.30194	0.1
959.39606	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	985.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62668	0.2
72.49701	0.1
79.21162	0.1
83.01382	0.4
85.02932	0.5
87.00865	0.2
95.01363	0.2
96.95999	0.3
102.98566	0.5
105.03428	0.2
107.01373	0.9
109.02930	0.4
113.02441	0.7
114.02821	0.1
120.43087	0.1
121.02912	0.4
125.02421	0.2
132.02162	0.1
133.02924	2.2
134.03696	0.5
147.00882	0.1
148.01689	0.3
149.02417	0.8
149.99545	0.2
150.54156	0.1
151.00352	2.3
151.03928	0.2
157.06377	0.1
159.04411	0.1
163.03923	0.2
171.04468	0.2
174.03185	0.1
175.02525	0.3
175.03940	1.2
177.01851	0.3
183.04524	0.2
185.06082	0.2
187.03940	0.3
188.04675	0.1
189.01917	0.2
190.02708	0.1
191.03310	0.1
196.15970	0.1
197.05962	0.1
198.03220	0.2
199.03975	1.3
200.04674	0.3
201.01849	0.3
211.03923	0.6
212.04677	0.4
213.05513	0.2
215.03427	0.2
217.01463	0.2
217.04953	0.6
226.02620	0.1
227.03488	1.0
229.04988	0.1
239.03383	0.4
241.05037	0.4
243.02972	0.4
255.02911	0.5
256.03729	2.6
257.04431	0.3
267.02780	0.2
269.04428	0.3
283.02350	0.4
283.05096	0.6
284.03210	42.5
285.03986	72.2
286.04321	3.5
297.03964	0.3
299.05585	1.6
300.05884	0.5
327.05029	1.0
341.06604	0.2
433.15283	0.1
447.09109	1.4
448.09442	0.1
451.10107	0.2
465.14063	0.1
475.08792	0.8
476.08990	0.5
477.09433	0.4
489.10294	100.0
490.10620	7.2
491.10892	0.4
509.12527	0.1
533.09308	0.4
560.29675	0.1
1012.69318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.8
71.01370	16.2
72.99294	2.5
73.02945	1.5
75.00864	5.9
83.01378	1.9
84.02186	0.5
85.02940	33.2
86.03242	0.6
87.00869	6.7
89.02427	2.9
94.49281	0.4
95.01374	9.9
98.20722	0.9
99.00871	11.4
101.02405	0.6
103.00357	5.7
106.35378	0.4
107.01365	0.6
111.00855	1.5
113.02434	56.4
114.02782	0.7
115.00362	3.0
117.01924	2.7
121.02935	3.4
122.53033	0.4
129.01927	4.1
134.03688	0.4
139.00336	0.7
147.02957	0.7
151.00346	1.3
152.33339	0.4
157.01428	1.3
161.02388	0.6
166.60812	0.4
171.40120	0.5
175.02449	28.0
176.02802	0.6
181.72852	0.4
183.04419	0.5
191.01970	1.9
227.03430	1.4
255.02972	0.7
256.03714	4.5
271.02423	16.2
272.02704	0.6
283.05109	0.5
284.03214	84.6
285.03778	7.7
286.04395	0.6
297.03894	0.8
298.04968	0.4
299.01953	40.1
299.05569	100.0
300.02292	2.1
300.05917	5.9
313.03592	3.7
313.06879	0.8
314.04269	30.8
315.04675	2.5
329.06598	83.7
330.06866	5.7
341.06610	0.7
371.07657	0.8
433.78723	0.4
461.11612	0.6
475.08728	68.2
476.09076	7.9
489.09991	1.1
505.09784	61.8
506.10165	5.7
519.94879	0.5
758.18866	0.6
821.72357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45923	0.4
69.46334	0.8
70.90992	0.1
83.01389	0.3
88.82897	0.1
96.96053	0.2
98.20732	0.2
107.01384	1.2
109.02932	0.4
113.02414	0.3
121.02908	0.3
123.04436	0.3
125.02416	0.3
132.02147	0.2
133.02948	2.3
134.03737	0.6
138.42856	0.2
145.02895	0.3
149.02441	0.7
149.99532	0.2
151.00352	2.7
169.01518	0.2
175.04015	1.2
177.01877	0.3
185.06155	0.2
187.03925	0.3
189.05548	0.2
199.03981	1.0
200.04778	0.3
201.01828	0.4
211.03975	0.6
211.66476	0.2
212.04694	0.2
213.05499	0.2
217.05029	0.7
227.03506	0.7
239.03497	0.2
240.04391	0.2
241.05032	0.6
243.02841	0.4
249.38460	0.2
255.02882	0.6
256.03717	2.0
257.04385	0.3
267.02792	0.2
268.03802	0.3
269.04510	0.5
283.02423	0.5
284.03229	43.2
285.04007	77.0
286.04337	3.4
297.04053	0.6
299.05685	0.2
327.05026	1.1
429.07858	0.2
431.09845	0.3
447.09155	1.7
448.09378	0.2
461.07126	1.0
489.10324	100.0
490.10672	8.2
490.17905	0.2
1003.62311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.0
70.20807	0.7
71.01382	12.5
72.99288	1.8
73.02933	1.1
80.02632	1.3
81.03464	2.1
83.01377	1.3
83.05026	5.1
85.02940	2.6
87.00870	1.8
88.98846	1.3
89.02431	9.6
95.01359	1.8
95.05011	0.8
96.95990	1.2
97.02940	2.7
101.02440	9.4
110.65604	0.9
113.02451	5.9
119.03487	2.3
125.02438	6.0
125.06116	0.8
141.01791	0.9
143.03503	1.3
161.04527	2.1
163.11250	2.8
165.12799	1.7
168.18970	0.7
179.05582	4.1
209.11801	100.0
210.12117	3.7
214.95300	0.8
221.06703	1.8
227.12866	10.7
235.08191	4.4
243.44473	0.7
259.08298	0.7
265.64886	0.8
277.21683	44.6
278.22122	2.1
287.07773	2.0
305.08823	2.0
323.09726	1.1
364.54584	0.9
379.12399	12.7
397.08249	1.9
397.13443	37.7
415.14563	7.2
417.95642	0.9
589.25348	3.6
607.25928	6.8
657.34802	1.7
675.35852	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	979.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78880	0.8
83.01373	0.3
85.02920	0.2
105.03445	0.2
107.01372	1.1
109.02934	0.2
113.02448	0.3
121.02913	0.3
125.02391	0.3
132.02132	0.3
133.02007	0.2
133.02940	2.6
134.03700	0.5
148.01668	0.2
149.02422	0.8
151.00356	2.6
161.02429	0.2
161.79970	0.1
171.04459	0.2
173.06140	0.2
175.03947	0.9
183.04433	0.2
185.06046	0.1
186.03308	0.1
187.03845	0.2
197.06042	0.2
199.03938	1.2
200.04672	0.3
201.01958	0.4
211.03955	0.6
212.04704	0.2
215.03459	0.2
217.05095	0.7
227.03482	0.9
239.03394	0.2
241.04997	0.5
243.02849	0.3
255.02953	0.7
256.03717	2.5
257.04343	0.2
269.04492	1.8
283.02539	0.4
284.03220	43.7
285.03989	60.6
286.04337	2.7
297.03955	0.7
299.05453	0.3
313.03366	0.3
323.05637	0.2
327.05045	1.8
385.57611	0.2
399.07272	0.3
429.08194	13.3
430.08389	1.0
445.07907	0.3
447.08984	1.4
489.10300	100.0
490.10632	7.4
490.17947	0.2
884.97833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80090	4.3
71.01360	7.9
71.29729	6.4
71.30050	5.1
72.87229	4.3
87.15170	4.2
89.02424	8.4
101.02455	11.8
113.02454	6.1
132.60939	4.2
134.14694	4.4
137.99251	4.0
140.25052	4.2
161.04544	5.7
168.11884	4.2
176.10266	4.8
177.01550	4.3
179.05591	5.1
235.08177	5.8
255.63370	5.1
277.21713	100.0
278.21985	7.0
291.97714	4.0
294.97940	4.7
347.32346	5.4
379.12372	14.5
397.13467	50.1
415.14569	9.8
492.38553	5.2
657.35260	8.1
971.54773	32.1
972.54315	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	971.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42827	6.6
69.47314	20.5
69.47729	32.1
71.01360	12.4
83.86270	6.5
89.02448	12.0
93.63006	5.5
101.02473	9.2
111.10567	6.5
113.02504	8.5
150.02504	7.1
170.01866	6.2
277.21704	100.0
379.12411	16.1
391.46143	8.0
397.13348	50.7
415.14499	8.3
971.54883	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.253
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01368	0.5
85.02913	0.3
90.79041	0.3
96.95974	0.9
107.01379	1.5
109.02949	0.3
113.02413	0.5
114.36761	0.3
133.02934	2.1
134.03696	0.5
149.02386	0.5
151.00337	2.2
158.20197	0.3
158.54584	0.3
175.03957	1.2
199.03976	1.3
201.01891	0.5
211.04019	0.5
217.05000	0.6
227.03455	0.7
229.65063	0.4
237.84874	0.3
239.03371	0.5
241.05115	0.5
255.02962	0.7
256.03720	2.4
257.04184	0.4
269.04388	0.4
283.02649	0.5
284.03226	43.8
285.03998	72.5
286.04291	3.0
299.05658	1.0
303.81754	0.3
315.04889	0.5
327.04941	1.0
447.09265	0.9
475.08542	0.7
489.10330	100.0
490.10675	7.8
493.45932	0.3
533.09381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01873	0.2
68.99812	0.4
71.01378	4.9
71.62671	0.2
72.99302	1.1
73.02943	0.4
75.00868	2.4
78.51330	0.1
80.81757	0.2
83.01389	0.5
84.02116	0.2
85.02943	12.5
86.63306	0.1
87.00867	1.5
89.02409	0.9
93.03471	0.4
95.01376	3.6
96.96004	0.3
99.00870	4.2
101.02412	0.2
103.00355	1.9
105.03478	0.3
107.01373	1.5
111.00882	0.3
113.02438	22.6
114.02783	0.3
115.00342	0.7
117.01945	1.3
117.03445	3.7
118.03720	0.1
121.02954	0.2
123.10930	0.1
125.02443	0.2
129.01942	0.8
135.04538	0.3
139.00385	0.3
147.00899	0.1
148.01634	0.2
149.02435	1.6
151.00351	1.2
152.64467	0.1
157.01405	0.3
159.04480	1.4
161.02423	0.6
165.01932	0.1
169.06615	0.4
175.02458	12.1
176.02765	0.3
180.05783	0.2
181.06577	0.5
183.04483	0.8
196.05373	0.2
197.06067	0.6
197.62007	0.2
199.03923	0.3
201.05556	0.7
203.03467	0.2
216.11725	0.1
222.75865	0.1
224.04802	0.3
225.05554	1.4
227.03481	0.5
268.03790	0.3
269.04507	100.0
270.04840	5.0
283.05905	0.2
284.03378	0.2
285.03922	0.2
311.05688	0.3
385.03253	0.2
389.14261	0.2
445.07697	28.1
446.08051	1.8
489.10251	0.4
521.17065	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	961.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53532	0.6
69.53943	0.5
83.01373	0.4
96.95953	0.2
98.20602	0.2
105.03497	0.2
107.01357	1.4
109.02922	0.4
110.66669	0.2
115.45359	0.2
121.02932	0.2
133.02916	2.2
134.03697	0.5
135.98839	0.2
149.02388	0.8
149.99640	0.3
151.00357	2.8
173.18353	0.2
175.04018	1.4
177.01848	0.2
183.04523	0.3
185.06097	0.2
195.04485	0.2
199.03979	1.1
200.04735	0.2
201.01968	0.4
211.03926	0.6
212.04686	0.3
213.05443	0.2
217.05038	0.9
227.03525	0.9
228.04106	0.3
239.03447	0.2
241.04932	0.5
243.02895	0.4
255.02988	0.8
256.03729	2.2
257.04276	0.3
267.03006	0.2
269.04486	0.3
283.02332	0.5
284.03217	40.9
285.03995	71.3
286.04367	4.1
297.03940	0.5
299.05649	0.4
313.87698	0.2
327.04974	1.0
429.08185	0.3
447.09052	1.2
489.10315	100.0
490.10654	8.5
529.33881	0.2
914.58807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32119	0.9
69.03454	1.8
69.54353	8.2
70.16050	1.0
81.03439	6.2
82.72682	0.9
83.01384	12.8
83.05019	8.3
88.98827	1.5
93.03452	12.9
95.01362	1.4
95.04994	2.9
96.96030	3.9
97.02958	10.8
105.03454	1.1
107.05071	1.3
107.86418	1.0
108.02152	1.2
109.02949	37.2
111.00851	3.0
111.04507	19.3
115.05539	2.1
117.03455	4.7
121.02958	11.9
122.03702	2.5
123.04513	20.3
124.01686	1.4
125.02438	100.0
126.02770	1.2
131.05038	1.9
133.02948	4.6
134.03734	2.4
135.04510	16.8
137.02434	74.1
138.02823	1.7
139.04019	5.3
145.02945	29.3
146.03680	3.4
149.02414	16.8
150.03183	4.0
151.04004	10.7
155.03482	3.4
155.04774	1.0
157.06537	2.8
159.04483	12.4
160.05228	1.7
161.02431	6.4
161.06087	12.0
161.64200	1.1
162.03201	2.0
163.04001	4.5
164.01131	3.9
165.01912	25.4
167.03462	2.9
171.08122	1.2
171.10236	1.1
173.06091	1.7
174.03242	1.3
175.03975	3.9
175.07599	1.5
176.81912	1.0
179.03398	5.2
183.04480	3.4
185.06004	8.3
187.03966	9.1
187.07599	2.1
188.04688	3.7
189.05492	1.6
192.26401	1.0
200.29088	1.2
201.05533	15.6
202.06224	2.1
203.07103	18.9
205.05034	11.2
206.02216	2.4
209.06070	1.9
211.03992	2.3
213.05583	2.4
215.07123	3.0
221.08160	2.1
225.05499	1.9
227.03505	3.9
227.07095	6.5
229.05070	4.6
230.05779	1.9
231.02895	2.0
231.06529	1.7
239.03481	3.5
240.04257	2.1
241.05081	2.8
243.06572	1.6
245.08153	18.0
247.06061	3.9
253.05020	14.0
255.06615	2.6
256.03577	1.5
259.06079	3.3
267.03006	5.5
269.04517	2.3
271.06076	64.2
272.06708	9.2
273.07663	2.8
277.07108	1.6
279.10260	1.7
289.07166	90.4
290.07483	4.9
315.05090	20.8
321.11346	4.5
333.06152	1.0
341.23279	1.3
343.04755	1.3
347.09024	1.9
365.10263	26.0
366.10663	2.1
373.06644	1.3
381.09637	1.7
383.11163	1.6
391.08145	42.9
392.08450	3.7
403.45282	1.3
409.09415	7.0
426.07642	1.1
427.10431	5.9
450.11234	1.2
527.15619	1.9
633.31470	1.1
642.11523	1.0
689.80298	1.3
928.34998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32119	0.9
69.03454	1.8
69.54353	8.2
70.16050	1.0
81.03439	6.2
82.72682	0.9
83.01384	12.8
83.05019	8.3
88.98827	1.5
93.03452	12.9
95.01362	1.4
95.04994	2.9
96.96030	3.9
97.02958	10.8
105.03454	1.1
107.05071	1.3
107.86418	1.0
108.02152	1.2
109.02949	37.2
111.00851	3.0
111.04507	19.3
115.05539	2.1
117.03455	4.7
121.02958	11.9
122.03702	2.5
123.04513	20.3
124.01686	1.4
125.02438	100.0
126.02770	1.2
131.05038	1.9
133.02948	4.6
134.03734	2.4
135.04510	16.8
137.02434	74.1
138.02823	1.7
139.04019	5.3
145.02945	29.3
146.03680	3.4
149.02414	16.8
150.03183	4.0
151.04004	10.7
155.03482	3.4
155.04774	1.0
157.06537	2.8
159.04483	12.4
160.05228	1.7
161.02431	6.4
161.06087	12.0
161.64200	1.1
162.03201	2.0
163.04001	4.5
164.01131	3.9
165.01912	25.4
167.03462	2.9
171.08122	1.2
171.10236	1.1
173.06091	1.7
174.03242	1.3
175.03975	3.9
175.07599	1.5
176.81912	1.0
179.03398	5.2
183.04480	3.4
185.06004	8.3
187.03966	9.1
187.07599	2.1
188.04688	3.7
189.05492	1.6
192.26401	1.0
200.29088	1.2
201.05533	15.6
202.06224	2.1
203.07103	18.9
205.05034	11.2
206.02216	2.4
209.06070	1.9
211.03992	2.3
213.05583	2.4
215.07123	3.0
221.08160	2.1
225.05499	1.9
227.03505	3.9
227.07095	6.5
229.05070	4.6
230.05779	1.9
231.02895	2.0
231.06529	1.7
239.03481	3.5
240.04257	2.1
241.05081	2.8
243.06572	1.6
245.08153	18.0
247.06061	3.9
253.05020	14.0
255.06615	2.6
256.03577	1.5
259.06079	3.3
267.03006	5.5
269.04517	2.3
271.06076	64.2
272.06708	9.2
273.07663	2.8
277.07108	1.6
279.10260	1.7
289.07166	90.4
290.07483	4.9
315.05090	20.8
321.11346	4.5
333.06152	1.0
341.23279	1.3
343.04755	1.3
347.09024	1.9
365.10263	26.0
366.10663	2.1
373.06644	1.3
381.09637	1.7
383.11163	1.6
391.08145	42.9
392.08450	3.7
403.45282	1.3
409.09415	7.0
426.07642	1.1
427.10431	5.9
450.11234	1.2
527.15619	1.9
633.31470	1.1
642.11523	1.0
689.80298	1.3
928.34998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.487
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39294	2.5
71.01378	10.0
71.70517	2.4
83.05015	4.2
85.02962	2.9
87.00841	2.6
88.90350	2.2
89.02429	11.0
94.48648	2.4
95.06857	2.3
96.96006	4.7
101.02441	7.3
113.02419	4.5
117.40895	2.5
125.02428	7.1
138.96135	2.2
143.03549	3.1
160.26970	2.6
161.04456	2.8
163.11316	2.2
179.05609	7.3
190.39513	2.1
209.11803	100.0
210.12030	4.2
215.14966	2.1
227.12860	18.7
235.08273	4.0
277.21667	41.0
305.08765	4.1
379.12408	20.1
383.70157	2.7
397.13492	55.0
415.14636	6.5
589.24982	12.0
607.26068	12.4
657.34839	4.8
675.35706	7.9
867.47742	4.8
953.48718	52.5
954.49561	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	953.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37933	2.2
71.01384	13.4
71.58288	4.4
71.90043	2.3
73.02940	3.0
83.05020	3.1
87.00909	2.7
89.02420	15.6
96.96014	16.4
97.02960	2.8
101.02442	9.4
113.02437	3.2
119.03468	3.2
125.02444	8.4
128.28783	2.6
144.16707	2.5
161.04524	4.7
163.11336	3.8
169.12202	2.4
171.10246	2.7
179.05597	7.4
197.11815	15.0
204.96564	2.4
209.09830	5.3
209.11798	88.4
210.12286	2.4
211.13318	3.9
227.12860	21.3
235.08278	3.3
291.19687	18.5
309.20682	100.0
310.21246	3.7
323.09726	3.2
350.55746	2.5
351.34406	2.1
358.01462	2.5
365.96985	2.8
379.12167	6.0
394.88464	2.8
397.13437	52.3
415.14471	22.3
607.25897	10.8
629.13580	2.6
673.53717	3.1
689.34387	6.8
707.34613	6.1
899.45697	8.1
953.45197	60.1
954.45923	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	951.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.4
68.09634	0.3
69.03453	1.0
71.01378	7.6
73.02936	1.8
78.32565	0.3
81.03449	14.5
83.01373	1.1
83.05017	74.3
84.05351	0.8
85.02943	3.3
87.00886	0.5
89.02457	0.7
93.03448	25.4
94.03803	0.4
95.01375	0.9
95.04978	0.3
96.95995	3.5
97.02952	0.5
98.19812	0.6
99.00874	0.9
101.02426	3.4
107.04988	0.9
109.02943	28.9
110.03307	0.5
111.04509	48.3
112.04865	0.7
113.02439	4.0
121.02944	100.0
121.63559	0.3
122.03268	2.3
123.04511	74.3
124.04849	1.4
125.02442	1.1
127.03984	3.3
127.04833	0.3
129.05553	0.9
133.03000	0.4
137.02432	34.7
138.02742	0.7
155.03487	46.9
156.03801	0.7
159.02985	0.7
161.04539	9.4
165.05569	0.5
167.03532	0.3
173.04550	1.8
177.01817	0.4
198.64018	0.3
209.11780	2.2
210.12051	0.7
213.05545	0.9
233.02847	0.4
256.98785	0.3
278.60239	0.3
285.09769	1.8
299.07742	1.0
317.08716	3.1
341.23102	1.7
342.23584	1.0
385.95984	0.3
397.13669	0.5
405.11880	11.6
406.12311	0.7
415.14590	0.5
421.11438	0.8
423.12918	22.5
424.13336	1.3
441.13922	0.7
449.10959	0.5
527.15533	19.4
528.15723	1.5
561.16235	2.0
579.17010	0.3
615.34546	0.3
621.19531	0.6
650.45300	0.3
665.19745	0.7
963.01691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99090	2.2
79.95737	0.7
83.01382	0.5
84.26132	0.2
85.02918	0.3
96.50230	0.2
96.96000	12.6
102.98587	100.0
103.98920	0.9
107.01385	1.1
109.02945	0.5
117.03452	3.4
119.05013	1.0
120.99644	3.8
121.02953	0.7
123.04517	0.3
125.02429	0.7
133.02937	3.1
137.02379	0.3
145.02939	9.3
148.05260	1.3
149.02441	1.2
149.05676	0.4
151.00357	2.4
161.02397	0.4
163.00693	13.6
163.03941	0.8
163.07632	1.2
164.07957	0.3
175.03995	1.0
177.01932	0.4
183.08484	0.4
185.53569	0.3
187.03891	0.3
197.06003	0.3
199.03923	1.2
201.01808	0.5
211.03976	0.3
213.05521	0.4
215.03513	0.3
217.05000	0.7
227.03468	0.4
241.05099	0.5
243.02956	0.5
256.03711	0.7
257.04318	0.3
284.00748	0.2
284.03217	12.1
285.04001	74.3
286.04382	3.6
313.11301	0.3
327.04813	0.3
391.10684	0.4
402.52014	0.3
447.09122	1.0
463.12619	0.3
593.12921	87.1
594.13214	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	945.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41782	1.3
69.42200	0.3
71.01388	1.0
73.02942	0.3
73.84448	0.2
77.51143	0.2
85.02950	0.9
96.96003	2.1
101.02435	0.9
103.64004	0.2
113.02462	0.4
113.47256	0.2
116.42908	0.2
117.03459	28.4
118.03780	0.9
119.05016	10.8
120.05318	0.3
120.99668	0.2
121.02946	0.8
125.02403	0.4
133.02901	0.2
136.64641	0.2
137.02464	0.3
145.02939	100.0
146.03262	3.2
156.45509	0.3
163.03992	9.4
192.04385	0.2
209.11736	0.2
211.21909	0.3
344.47476	0.3
386.56393	0.2
415.13931	73.1
416.14307	5.4
417.14774	0.2
645.52655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.479
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	21.8
71.19435	9.4
71.19779	5.6
72.99309	5.4
83.05001	6.4
84.76266	7.0
89.02457	13.1
96.96026	5.7
100.45927	5.1
101.02427	11.7
111.61143	5.5
120.97142	5.8
123.00470	5.1
176.06538	5.6
209.11816	100.0
210.12152	61.4
211.12369	11.1
227.12799	7.8
277.21606	36.9
278.22086	26.1
279.22226	12.4
380.12833	7.1
392.13937	6.4
397.13412	15.3
398.13779	16.4
399.13962	12.9
403.88318	5.5
405.20053	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	948.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	20.8
71.17113	6.8
73.02943	5.0
73.84523	2.8
80.41702	2.9
83.01366	3.5
85.02946	6.6
87.00877	8.6
89.02435	27.4
97.02956	5.0
101.02429	27.3
102.02758	3.3
113.02451	11.7
116.63585	3.1
119.03490	8.7
125.02435	8.6
143.03551	4.7
152.23091	2.9
153.91260	2.8
155.30577	3.6
161.04478	5.4
179.05563	4.6
209.11845	21.2
210.12158	14.0
227.12901	5.4
235.08252	10.5
247.91920	3.0
253.28354	3.8
255.23265	47.0
256.23596	15.2
277.21686	9.9
278.22012	9.8
279.22403	6.9
287.07663	4.1
293.21164	26.0
294.21530	12.4
379.12442	4.2
381.72321	2.9
397.13458	100.0
398.13940	33.1
399.13989	7.9
415.14536	32.8
416.14795	8.4
653.37720	5.5
654.37836	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	941.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	0.3
68.99809	0.5
71.01378	8.8
72.99298	1.6
73.02925	0.8
75.00872	3.5
83.01370	0.8
84.02168	0.4
84.82159	0.2
85.02946	18.5
87.00872	2.9
89.02441	1.8
93.03453	0.7
95.01384	6.7
99.00866	6.7
101.02418	1.0
103.00351	2.9
107.01334	0.4
109.21494	0.3
111.00861	0.5
113.02442	33.2
115.00359	1.3
117.01939	1.4
117.03469	0.6
119.05014	5.6
121.02938	0.5
125.02415	0.3
129.01901	1.2
132.05798	0.3
133.02980	0.4
133.06564	1.8
139.00400	0.3
140.41925	0.3
145.02934	4.1
147.04469	0.4
151.00366	0.9
157.01384	0.8
161.06078	4.7
162.06493	0.3
163.04005	6.3
175.02464	15.0
177.05537	2.5
187.03943	0.4
199.04224	0.3
205.05014	4.2
211.04024	0.3
235.06018	0.7
255.02882	0.6
256.03702	3.9
265.07166	1.5
283.02374	0.7
284.03229	77.1
285.03644	5.0
286.04034	0.4
299.05573	100.0
300.05914	5.9
302.88507	0.3
319.10275	2.1
341.06619	0.9
465.14038	11.9
466.14273	0.9
475.08762	78.0
476.09100	7.2
601.60095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	1.7
70.94472	1.9
71.01374	17.8
71.05003	1.5
72.99290	1.2
73.02936	3.3
75.00853	0.8
75.51891	0.6
81.03420	1.3
83.01373	1.8
83.05022	1.5
85.02945	4.5
87.00860	6.9
89.02424	6.9
95.01376	0.8
96.95994	1.0
97.02932	11.1
97.06572	2.0
99.00867	20.3
101.02437	9.5
109.02934	0.7
109.06583	1.8
110.03677	2.0
113.02456	4.8
119.03487	2.3
123.08103	0.8
125.02440	6.4
125.09708	6.1
135.08131	1.1
136.05202	1.1
142.02684	2.2
143.03426	1.7
145.65076	0.8
161.04512	1.4
163.11256	9.1
179.05611	1.3
181.12323	20.5
197.11714	0.9
199.13295	4.5
207.10228	60.0
208.10608	1.4
209.11758	0.8
221.06596	1.7
223.13339	1.2
225.11281	91.8
226.11629	2.5
235.08171	2.1
239.12784	0.9
243.12328	34.3
263.07666	1.7
277.21677	47.1
278.21988	2.9
287.07733	1.0
317.16086	3.2
379.12402	1.9
397.13495	6.2
415.14322	1.6
461.19882	1.4
605.24402	28.4
606.24829	2.9
623.25494	27.1
624.25482	2.0
883.46851	100.0
884.46979	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00396	0.6
68.99855	0.3
71.01024	0.3
71.01444	4.1
72.99374	0.9
73.03012	0.3
75.00938	1.4
83.01433	0.4
85.02942	6.9
87.00859	1.6
89.02484	0.5
95.01369	1.9
99.00857	2.8
103.00436	0.7
103.25774	0.2
107.01373	1.4
108.02154	1.0
109.02930	1.9
113.02434	10.0
115.00448	0.7
117.01925	1.1
117.03554	0.7
119.05089	0.3
120.99694	0.4
121.03059	0.6
129.01958	0.5
133.02943	4.7
135.04585	0.2
145.02931	2.3
149.02455	1.2
151.00351	3.8
152.01149	2.3
153.01988	0.9
164.04750	2.1
175.02518	3.3
175.04068	1.5
177.01895	0.3
179.07114	2.6
180.99683	0.2
185.06142	0.3
189.05550	0.2
191.03676	0.2
195.01328	0.3
196.01892	0.3
199.03973	1.7
201.01994	0.5
211.04222	1.0
213.05571	0.6
215.03503	0.5
217.05090	1.2
229.05052	0.4
241.05057	0.8
243.03085	0.6
255.02989	0.7
256.03598	1.3
257.04620	0.4
267.02982	0.4
283.02338	0.4
284.03226	21.1
285.03995	100.0
286.04352	5.1
297.04010	0.4
298.04572	0.4
299.05557	24.9
300.05856	1.4
315.07147	1.3
327.04913	1.5
341.12360	1.4
357.06039	1.1
369.05838	0.3
373.09543	0.4
381.06354	0.3
401.66705	0.2
461.06915	53.4
462.07272	4.3
465.13504	0.2
475.08743	19.0
476.09018	2.0
620.33710	0.3
637.54004	0.2
867.07666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01350	12.0
71.62344	9.5
71.72831	5.9
74.00655	6.6
74.93352	6.8
78.25480	7.5
82.45443	6.0
85.19775	6.6
89.02415	13.1
90.60506	6.7
93.66177	5.6
96.96002	8.8
99.76331	6.6
101.02426	10.8
105.72414	6.6
113.02443	7.8
209.11795	98.6
216.31212	7.2
227.12874	21.6
255.23192	53.3
292.06235	7.3
379.12314	21.3
397.13309	57.2
415.14368	7.4
589.24951	12.0
635.37201	10.3
653.37335	15.4
702.79608	8.9
845.49530	9.6
855.61908	6.8
931.50305	100.0
932.49792	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	0.8
71.62247	1.0
78.47971	0.9
81.03454	2.2
83.01373	5.3
85.02945	2.4
85.21204	0.8
87.00849	1.0
90.30106	0.9
93.03449	4.1
95.05021	2.6
96.07027	0.7
96.96000	1.5
97.02938	4.3
99.04492	0.8
100.93777	0.9
105.03427	0.9
107.05029	1.3
108.02142	1.5
109.02943	19.1
117.03456	1.3
121.02938	3.4
123.04523	15.9
125.02434	100.0
126.02797	2.1
127.03970	1.1
129.93430	0.9
131.04970	1.2
133.02936	4.4
135.04503	4.2
137.02438	23.6
139.04013	2.9
145.02924	2.2
149.02425	5.4
150.03212	1.5
151.03993	14.6
159.04483	2.7
161.01077	1.5
161.02425	29.4
161.06073	3.9
162.03130	2.9
163.00366	1.0
163.03979	4.6
164.01135	4.8
165.01910	5.3
167.03456	2.1
175.03992	13.0
177.01917	7.8
177.05525	1.9
178.02493	0.9
179.03508	5.3
185.06029	1.4
187.03981	7.8
188.04706	3.5
189.05640	1.8
191.05586	33.3
192.05983	1.6
192.90240	0.8
193.04958	0.9
199.03909	1.6
199.07567	0.9
200.49568	0.8
201.05571	2.3
202.06282	1.7
203.03491	2.2
203.07085	10.8
205.01407	2.8
205.05028	8.1
211.04031	1.6
213.05673	1.3
214.02682	1.0
215.03551	1.6
217.04935	1.8
221.08197	1.7
225.05511	0.9
227.03510	2.3
227.07166	2.6
228.04250	1.2
229.05070	4.5
230.05783	1.6
231.02881	0.9
241.04984	1.1
243.02907	3.3
243.06590	1.6
245.04559	6.6
245.08165	15.5
246.08434	1.1
253.05026	1.3
255.02948	11.3
256.03693	5.7
257.04492	3.3
269.04501	2.6
271.21085	0.7
273.04056	5.0
281.04486	4.8
282.01657	1.0
283.02448	3.2
285.04312	1.8
287.05612	12.6
288.02747	0.9
288.05823	1.0
289.07147	62.2
290.07529	4.0
297.04041	1.4
299.05505	6.7
304.50989	0.8
315.08832	1.0
329.06760	0.9
331.08441	0.9
339.08716	6.3
341.06253	1.0
353.08670	2.5
381.09525	1.9
407.07632	71.1
408.08029	6.6
421.65848	0.8
425.08722	86.2
426.09106	7.8
443.19257	1.6
451.10242	22.2
451.16122	1.7
452.10257	1.0
559.12238	2.3
577.13434	68.1
578.13574	9.8
584.97369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62752	0.5
70.63127	0.5
71.04964	0.2
72.39221	0.2
78.88992	0.2
83.01402	0.3
85.02911	0.3
87.00852	0.4
93.03478	0.3
107.01389	0.6
109.02947	0.4
125.02416	0.7
133.02936	1.2
149.02438	0.5
151.00415	1.6
158.56413	0.2
175.03918	0.6
177.01791	0.2
189.06641	0.7
191.05580	5.1
192.05978	1.4
199.04004	0.6
213.05458	0.3
217.05045	0.4
227.03392	0.5
243.02946	0.4
255.03093	0.4
256.03751	0.9
271.02533	0.5
284.03229	26.3
285.04007	66.2
286.04352	3.9
287.04535	0.4
289.07144	0.4
297.03906	0.3
300.02603	1.1
301.03543	0.6
305.11044	0.3
323.12357	1.3
327.05069	0.8
423.26910	0.3
447.09265	100.0
448.09589	9.4
449.09964	0.7
463.08606	1.2
467.16519	1.0
482.17407	0.6
483.15057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76492	49.5
70.76839	37.7
79.57671	22.2
101.02468	30.4
127.79721	25.7
209.11818	100.0
210.12170	28.8
255.23212	37.5
321.07230	26.5
398.13843	44.0
399.13925	28.9
401.69107	28.0
502.77582	30.8
587.79022	24.2
650.81403	26.4
867.07550	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.8
69.42395	5.2
71.01376	8.8
72.99299	1.4
73.02933	0.9
75.00861	4.7
83.01363	1.3
85.02943	17.7
87.00862	2.9
89.02412	1.2
93.03451	1.0
95.01379	6.0
96.96006	1.0
98.20625	1.2
99.00874	4.7
103.00340	2.0
109.02942	13.5
112.96526	0.6
113.02437	30.9
115.00336	2.0
117.01931	2.1
119.05017	0.7
123.04529	7.0
125.02426	1.5
129.01888	1.2
133.02913	2.4
134.03741	1.1
137.02420	1.2
145.02905	1.0
147.04446	2.2
149.02405	1.1
151.00365	1.3
151.03978	3.7
157.01358	0.7
159.04561	0.8
161.01468	0.5
161.02451	5.5
162.03242	0.9
162.10373	0.7
163.03937	0.7
175.02478	12.2
175.03915	0.9
176.01088	1.1
177.01903	17.8
189.01909	33.3
190.02664	7.3
191.03484	6.3
198.31079	0.6
203.03465	4.0
211.03987	0.6
216.00577	4.9
217.01390	24.1
218.02037	2.5
219.02969	9.4
220.03244	0.7
227.03496	0.7
229.08522	0.7
231.02950	8.3
256.03745	4.6
257.04492	0.7
281.04486	1.6
282.05414	0.7
284.03226	84.6
285.03757	7.9
286.04071	0.9
289.07126	1.9
297.07620	1.5
299.05560	100.0
300.05850	6.3
323.05441	2.0
341.06610	69.5
342.06821	4.6
446.81732	0.6
451.10284	95.3
452.10596	8.4
475.08755	80.4
476.09039	6.7
489.10181	2.5
822.61871	0.7
877.03107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.4
67.01862	0.4
68.21807	0.3
68.99801	0.5
71.01374	9.3
72.99288	1.5
73.02932	1.1
75.00869	3.8
83.01375	1.0
84.02178	0.3
85.02943	19.1
87.00880	3.2
89.02455	1.5
95.01382	5.6
99.00871	6.1
100.01186	0.3
101.02449	0.4
103.00362	3.0
107.01358	0.9
113.02435	35.2
114.02769	0.5
115.00336	1.6
117.01920	1.9
125.02422	0.9
129.01915	1.2
133.01503	0.4
133.02943	1.6
134.03716	0.5
137.02431	0.3
139.00389	0.6
145.02907	0.4
147.16190	0.4
149.02377	0.5
149.33723	0.3
151.00368	2.1
157.01387	0.9
175.02451	15.7
175.03870	0.8
176.02762	0.4
199.04051	0.3
199.85794	0.3
209.02318	0.3
211.04051	0.6
217.04956	0.4
227.03397	0.8
229.66618	0.3
241.05203	0.4
255.02887	0.7
256.03711	4.5
283.02417	0.5
284.03217	82.1
285.03949	31.2
286.04208	1.4
299.05557	100.0
300.05872	5.6
341.06653	0.8
371.07715	0.5
419.49124	0.3
447.09219	7.4
448.09583	0.5
457.07462	0.4
471.23627	0.3
475.08755	83.3
476.09082	5.9
495.14542	0.4
790.29016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.5
68.99803	0.7
71.00977	0.6
71.01376	8.8
71.62901	0.8
72.99303	1.3
73.01158	0.4
73.02934	0.8
75.00867	3.1
83.01368	0.6
85.02946	18.8
87.00880	2.6
89.02442	1.1
95.01379	6.1
99.00879	7.0
103.00358	3.0
107.01378	1.0
111.00875	0.4
113.02441	32.6
114.02737	1.1
115.00333	1.3
117.01920	2.0
126.44470	0.4
129.01932	1.3
132.02162	0.6
133.02957	1.3
134.03772	0.7
134.04697	0.4
136.16898	0.4
149.02440	0.6
151.00366	2.8
157.01349	0.6
157.40073	0.4
161.02414	1.5
163.00287	0.4
175.02473	15.1
178.37242	0.4
185.60399	0.4
199.03912	0.9
211.03943	0.7
217.05006	0.7
227.03421	1.3
247.91756	0.5
255.02934	2.4
256.03760	5.5
271.02408	1.5
271.05115	0.4
283.02301	0.5
284.03229	95.9
285.03955	42.1
286.04169	3.2
297.04031	0.6
299.05566	100.0
300.02676	3.5
300.05936	8.9
301.03168	1.9
301.06219	1.1
323.07816	0.5
341.06564	0.5
447.09235	41.5
448.09521	3.5
465.14005	0.4
475.08771	90.0
476.09088	10.4
477.09387	1.8
566.21014	0.5
609.58813	0.5
742.76233	0.5
752.45087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41724	0.3
68.05617	0.3
69.03434	1.7
69.34334	2.1
69.34763	1.2
71.01376	14.9
71.05006	0.3
72.94282	0.4
72.99305	1.0
73.02934	2.0
75.00867	0.5
80.02669	1.7
80.43653	0.3
80.80991	0.3
81.03447	2.3
83.01381	1.7
83.05019	6.3
84.02166	1.0
85.02944	3.8
85.84124	0.3
87.00864	3.4
89.02435	12.2
93.03437	0.7
95.01370	1.2
95.05019	1.0
96.96004	5.7
97.02936	4.4
97.06566	0.4
99.00871	0.7
101.02433	10.5
102.91840	0.3
109.02937	0.5
109.06605	0.8
111.04486	0.5
111.08148	3.3
112.98596	0.4
113.02436	7.3
119.03475	3.1
125.02433	4.5
125.06068	0.7
125.09676	0.9
127.11199	0.4
131.03474	0.7
135.08136	0.9
137.09682	0.9
143.03474	2.1
145.05002	0.4
149.04597	0.5
153.12820	0.6
161.04564	2.8
163.11275	5.4
165.12813	3.9
167.10815	0.4
169.12305	1.6
169.13734	0.4
171.10246	3.3
179.05611	4.2
181.12300	1.7
183.13806	0.6
191.10773	1.3
193.12221	0.5
197.11810	19.9
198.12129	0.8
199.06042	0.5
199.13446	1.8
206.77214	0.3
207.10207	0.7
209.11798	100.0
210.12155	3.5
211.13373	4.1
217.07126	0.5
221.06647	1.1
223.13376	0.8
225.11363	0.5
225.15074	0.6
227.12863	12.0
228.13239	0.5
235.08179	5.0
247.20662	1.8
251.16570	0.5
253.09303	0.8
263.20126	1.3
265.17966	0.6
273.18652	0.9
287.07599	1.7
291.19638	20.4
292.19882	1.3
293.21060	2.0
305.08655	1.5
309.20676	73.0
310.21002	4.3
323.09802	1.1
333.20642	0.4
379.12436	3.0
397.13452	38.0
398.13953	2.4
404.28723	0.4
415.14526	13.9
416.15002	0.6
419.47400	0.4
501.32138	0.7
549.49341	0.5
589.24884	0.8
607.25970	2.9
685.03284	0.4
689.33472	1.1
690.32434	0.6
707.34717	2.0
856.09039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35000	13.1
71.01385	10.8
80.33685	3.3
86.59464	4.1
87.63261	4.0
88.98787	3.8
89.02413	5.3
96.95990	15.8
99.00864	8.4
103.80050	3.6
125.02420	5.5
129.46309	4.4
142.88815	4.7
163.11310	8.8
170.18243	3.4
181.12344	9.4
207.10274	22.3
209.11829	8.1
211.13287	4.4
225.11267	49.2
225.34470	3.8
243.12256	14.2
267.05844	4.1
277.21695	31.1
278.22076	5.8
374.54196	4.7
379.12463	4.8
397.13452	10.2
400.22528	4.3
605.24463	21.6
616.04688	4.5
623.25317	20.0
883.46942	100.0
884.47632	18.1
919.44586	93.4
920.44781	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	915.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	0.7
71.01363	3.6
71.62589	1.0
73.02941	0.6
77.29673	0.6
78.88142	0.6
83.01378	1.1
85.02951	1.6
87.00866	0.8
89.02425	2.2
93.03419	3.1
97.02943	0.6
99.04508	12.6
101.02438	7.0
107.01403	1.3
109.02959	1.0
120.99567	0.6
121.02905	0.7
125.02444	6.9
133.02916	2.6
134.03729	0.9
137.02426	0.7
143.03496	0.9
145.07716	2.1
149.02380	0.8
151.00273	2.7
160.06403	5.8
161.04549	5.0
161.07184	21.0
162.07549	0.7
171.01416	0.6
173.04529	1.3
175.04012	1.4
175.08734	14.8
176.09058	0.8
177.01904	0.6
185.10780	0.9
187.08728	2.0
189.06674	49.1
190.07011	1.7
191.03726	0.8
191.05588	21.4
199.03976	1.4
201.10318	4.5
203.08243	22.6
203.11864	7.9
204.08603	0.9
211.03815	0.6
217.05078	0.7
227.03444	0.7
229.09776	12.9
230.10146	0.8
239.03505	0.5
243.02892	0.7
245.09331	0.6
255.02985	0.9
256.03705	2.2
257.08130	1.1
267.02719	0.7
277.11932	3.0
284.03220	45.5
285.04007	100.0
286.04340	5.4
300.02783	0.7
305.11398	33.0
306.11703	2.1
323.12430	97.6
324.12799	6.2
327.05112	1.3
365.08878	0.8
365.13458	16.8
366.13696	1.1
405.16882	3.5
405.21442	0.6
447.09274	91.5
448.09589	8.7
449.09161	0.7
449.14667	4.6
465.09430	1.0
467.16510	66.5
468.16873	5.3
625.11768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.255
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45102	3.0
71.01380	4.3
79.95714	0.5
83.01388	0.5
85.02936	0.9
87.00835	0.4
89.02441	3.6
93.03458	1.8
96.96002	10.4
101.02441	2.6
113.02441	2.4
117.03457	2.4
119.03493	1.5
119.05019	22.3
120.05359	0.9
120.23077	0.3
121.02934	1.9
123.04519	0.6
125.02407	0.7
131.03452	0.4
131.04980	0.7
132.05809	1.4
133.06587	7.6
134.06970	0.5
135.04503	1.0
145.02940	16.8
145.04097	0.8
146.03323	0.7
147.04486	0.7
151.00468	0.7
159.04469	0.7
161.06058	20.3
162.03218	0.5
162.06448	1.3
163.03993	31.0
164.04321	1.6
167.03465	0.4
175.03947	0.6
177.01942	0.3
177.05551	11.3
178.05858	0.7
187.03993	0.8
191.05597	1.4
205.05035	20.6
206.05371	1.6
226.18964	0.3
235.06078	5.1
236.06340	0.5
265.07153	10.2
266.07355	0.7
284.03244	0.4
285.04263	1.7
319.10294	10.8
320.10635	0.7
325.08987	0.6
437.08923	1.1
447.09387	1.0
465.13959	100.0
466.14343	11.9
467.09146	3.6
467.14960	2.2
468.10349	0.5
680.07660	0.4
915.28699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.9
69.40790	3.2
69.41101	0.4
72.24440	0.4
83.01370	0.7
87.78753	0.4
98.20650	0.7
107.01394	2.0
108.02166	0.9
109.02935	0.9
110.92947	0.4
118.48391	0.4
121.02921	1.5
133.02974	1.3
134.37492	0.5
148.01649	0.7
149.02426	0.9
151.00354	7.8
163.00342	1.6
164.01125	0.4
175.03964	0.6
176.22546	0.4
178.99846	2.3
199.03940	0.9
201.01906	0.4
207.95537	0.4
211.03918	1.1
215.03551	0.5
216.04225	0.7
217.04872	0.4
226.02669	0.9
227.03476	1.7
229.05136	0.4
239.03362	0.4
243.02968	4.7
244.03426	0.6
245.04535	0.5
254.02191	1.3
255.02963	14.9
255.05721	0.8
256.03586	1.5
257.04449	1.1
271.02457	27.9
272.02985	2.5
273.03973	0.9
283.02518	1.3
284.03247	19.9
285.03998	47.1
286.04340	4.9
299.01938	0.8
300.02716	64.4
301.03439	31.8
302.03806	2.1
327.04953	0.5
445.55792	0.4
447.09274	50.7
448.09683	4.9
461.07114	1.1
462.07724	1.0
463.08752	100.0
464.09128	8.6
493.67184	0.4
555.07355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51151	1.1
69.64507	0.1
71.01379	0.7
72.99285	0.2
75.00845	0.2
79.95732	28.8
80.96514	0.5
85.02950	1.3
87.00896	0.1
95.01379	0.4
95.95226	8.3
96.96003	59.9
97.95950	0.2
98.20589	0.2
99.00851	0.4
103.00356	0.2
108.02135	0.4
109.96771	0.3
110.97572	4.2
113.02459	2.3
121.02961	0.2
123.04502	0.2
137.02411	1.5
141.95828	0.8
149.99934	0.9
151.00665	0.2
160.05273	0.4
161.02499	0.2
161.06053	0.2
163.03992	0.5
164.98495	0.4
174.35899	0.1
175.02533	1.2
175.07629	0.3
177.05542	0.5
178.06358	0.3
191.05559	0.5
192.07941	0.2
202.11971	0.1
205.05019	0.2
216.23354	0.2
222.06119	0.2
242.38260	0.2
244.00298	0.2
256.03943	0.2
257.01212	0.2
259.02747	1.3
273.04309	0.3
284.03238	5.3
284.06406	0.3
285.03696	0.4
299.05557	6.1
300.05859	0.4
315.05304	0.6
329.13889	0.6
409.04654	0.2
424.08243	3.6
425.08551	0.2
431.13330	0.2
439.10629	100.0
440.10965	7.7
453.14856	0.2
465.14047	0.3
475.08789	5.4
476.08917	0.4
557.36389	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	909.172
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	0.4
65.00320	0.8
69.52280	0.5
69.52698	0.7
71.01378	2.3
72.99295	0.4
73.02912	0.2
74.26135	0.2
75.00872	0.7
83.01364	0.5
85.02946	2.3
87.00879	0.6
89.02424	0.4
89.33582	0.2
95.01377	0.6
99.00893	1.1
103.00350	0.2
105.03472	0.3
107.01373	1.2
109.02944	0.6
113.02443	1.7
117.01965	0.3
119.05051	0.2
121.02944	0.4
129.01936	0.3
133.02931	4.5
133.05045	0.4
135.04552	0.2
137.02437	0.2
139.11188	0.2
142.77228	0.2
148.49953	0.2
149.02432	1.2
151.00343	3.1
171.04512	0.2
175.02502	0.4
175.03938	1.9
177.01863	0.4
182.52243	0.2
183.10298	0.2
185.06049	0.4
191.05576	0.6
198.03160	0.2
199.03967	1.8
201.01929	0.3
213.05516	0.4
217.04999	1.0
227.03496	0.2
229.05072	0.3
239.03456	0.2
240.04105	0.2
241.05051	0.8
243.03006	0.9
245.00890	0.3
255.03020	0.2
256.03641	0.3
257.04584	0.5
270.01688	0.7
271.02597	0.3
284.03232	7.4
285.04010	100.0
286.04346	6.3
295.10352	0.3
297.04095	0.4
298.01184	0.3
299.02057	0.3
299.05478	0.2
327.04959	1.2
357.06113	0.9
367.98016	0.2
369.06018	0.3
381.06061	0.2
447.09286	12.5
448.09778	1.0
461.07196	56.6
461.20297	3.1
462.07565	4.7
462.20844	0.2
508.06152	0.2
878.55121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.248
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99794	0.5
69.62364	1.6
71.01368	10.5
72.99307	2.0
73.02914	1.1
75.00877	2.9
83.01366	1.1
85.02942	19.5
87.00377	0.4
87.00864	4.7
89.02416	1.5
95.01384	6.3
99.00861	5.7
101.02392	0.9
102.98586	14.4
103.00362	3.1
107.01384	0.6
113.02437	34.1
114.02763	0.6
115.00330	1.4
117.01930	2.4
125.02414	0.5
129.01884	1.0
137.99988	0.3
148.42384	0.3
151.00371	1.1
153.83855	0.4
157.01385	0.5
161.04541	0.9
166.71400	0.3
167.03510	0.4
175.02457	16.5
176.02831	0.4
192.70435	0.4
194.17250	0.4
200.04733	0.4
212.04959	0.4
225.84637	0.4
227.03606	0.6
249.06212	0.8
255.02831	0.6
256.03775	3.9
257.04117	0.5
283.04895	15.0
284.03210	78.5
285.03690	7.1
299.05554	100.0
300.05899	6.8
341.06711	0.7
371.07962	0.4
390.03271	0.3
395.07663	0.4
433.07465	0.4
433.15213	0.8
475.08749	84.6
476.09097	8.3
477.09024	0.4
489.10394	3.1
501.06604	0.4
582.09930	0.4
626.34229	0.4
857.14105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02385	0.7
65.00323	0.4
67.01864	0.6
71.01377	8.8
71.62430	0.5
71.62776	0.5
72.99294	1.4
73.02927	1.0
75.00860	4.7
82.91404	0.5
83.01364	1.1
84.02168	0.7
85.02943	20.8
87.00861	3.0
89.02441	1.4
95.00869	0.6
95.01382	6.3
96.95981	0.8
99.00874	7.3
102.98566	0.4
103.00369	3.0
105.68016	0.5
107.01333	0.8
112.20450	0.5
113.02440	34.8
114.02779	0.6
115.00346	1.7
117.01934	2.7
119.76939	0.4
129.01897	1.9
133.02916	0.5
134.03723	0.5
139.00357	0.5
151.00333	1.3
175.02463	15.8
176.02859	0.5
256.03745	4.9
261.49612	0.4
284.03223	80.8
285.03757	8.8
298.04825	0.6
299.05560	100.0
300.05881	7.2
305.62341	0.5
341.06613	1.0
475.08755	80.7
476.09094	7.9
489.10355	5.1
655.57251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	0.3
65.00311	0.7
69.33566	1.6
71.01382	1.2
75.31948	0.2
83.01367	0.5
83.49902	0.2
85.02922	0.4
87.90957	0.2
89.02416	1.1
91.99290	0.2
98.19891	0.3
101.02429	0.8
101.94901	0.2
107.01392	1.6
108.02177	0.6
109.02943	0.8
113.02400	0.6
113.33967	0.2
119.03494	0.5
121.02937	1.2
125.02429	0.5
133.06580	0.2
135.00806	0.3
139.07585	0.5
145.02856	0.2
147.04489	0.3
148.01648	0.6
151.00343	6.8
159.04359	0.3
161.04613	0.2
163.00325	1.3
169.01291	0.3
178.99849	3.2
187.03992	0.3
190.99806	0.3
191.05496	0.2
191.25366	0.3
199.04060	0.3
201.05649	0.3
211.03954	0.6
215.03391	0.4
226.02718	0.6
227.03430	1.2
243.02930	5.0
244.03490	0.3
245.04445	0.7
254.02174	1.4
255.02957	13.8
256.03503	1.0
271.02432	29.5
272.02930	2.0
273.03961	0.7
283.02420	0.9
285.03976	0.7
299.01953	0.6
299.05341	0.2
300.02710	65.6
301.03442	30.7
302.03860	1.8
330.13248	0.6
331.13763	0.3
441.12302	0.5
441.17749	7.5
442.17801	0.7
463.08746	100.0
464.09091	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	901.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03852	1.3
65.70168	1.2
69.03434	2.3
70.82756	2.5
70.83066	1.3
71.01377	28.5
71.11884	1.5
72.99302	3.3
73.02938	3.6
81.03459	1.7
83.01399	3.5
85.02931	8.1
87.00874	5.7
89.02435	19.9
95.01383	3.7
95.05013	2.6
96.96004	6.0
97.02941	5.2
99.00887	2.1
101.02431	20.0
109.02940	1.3
109.06580	3.9
111.04461	1.5
113.02435	13.7
119.03505	6.3
125.02435	9.4
125.09734	2.7
127.07617	1.7
127.11282	6.2
138.24033	1.2
143.03452	4.5
155.10838	2.2
161.04544	5.5
163.11263	3.5
171.10248	100.0
172.10561	2.3
179.05611	6.7
181.12296	1.5
185.11778	1.6
189.09167	1.9
197.11810	2.1
199.06059	1.4
201.11314	12.2
207.10223	16.6
211.13335	1.6
213.91527	1.4
217.07199	1.8
221.06633	3.1
225.11278	50.0
235.08148	8.0
243.12361	6.3
277.21686	73.5
278.21887	5.3
287.07669	2.0
293.21259	1.9
305.08722	3.3
327.26007	1.5
379.12415	18.6
382.69498	1.5
397.13425	57.3
398.13544	2.0
415.14514	13.9
551.23132	5.2
569.24261	5.3
605.24365	4.7
617.66479	1.5
623.25684	9.4
636.75452	1.5
638.53949	1.5
657.35046	1.7
675.35779	3.1
786.97620	1.6
830.11884	1.6
883.47046	8.6
901.46722	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	901.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35461	0.8
67.47074	0.9
67.77764	0.8
69.03440	2.0
71.01373	20.9
71.05004	1.9
72.99290	1.7
73.02938	4.1
81.03453	1.2
83.01364	2.8
85.02921	5.1
87.00858	4.2
89.02435	12.9
95.01376	1.4
95.05022	1.8
96.95993	2.4
97.02927	7.1
97.06543	2.0
99.00877	12.6
101.02424	14.1
103.28776	0.8
108.13581	0.8
109.06558	2.7
110.03686	0.8
113.02457	7.0
119.03473	2.2
123.08171	1.2
125.02454	5.2
125.09723	6.2
127.11240	1.3
139.54715	1.1
141.01770	1.1
143.03435	3.2
145.10078	1.0
153.12813	0.9
160.78238	0.9
161.04608	2.0
163.11258	7.9
171.10234	14.6
179.05553	2.6
181.12306	15.2
197.11891	1.7
199.13364	14.2
201.11327	3.4
207.10242	37.3
221.06642	4.7
225.11284	52.4
226.11673	2.4
227.97525	1.0
235.08243	2.4
243.12340	15.7
277.21677	37.4
278.22089	2.9
287.07681	0.9
379.12479	3.0
387.28918	8.1
397.13443	13.5
415.14612	4.5
605.24274	4.1
623.25513	6.6
883.46844	11.5
884.47479	2.1
901.47870	100.0
902.48132	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	901.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62756	0.4
69.03463	0.9
69.78401	0.5
69.78707	2.3
71.01374	14.1
71.05016	0.4
72.99303	1.1
73.02938	1.8
80.02664	0.9
81.03429	1.9
83.01373	1.8
83.05023	6.3
84.02169	0.8
85.02941	2.6
87.00862	3.3
89.02437	11.4
95.01382	0.7
95.05019	0.9
96.95988	3.5
97.02948	1.8
99.00867	1.1
101.01768	0.6
101.02428	11.2
111.00865	0.5
111.04472	0.5
113.02435	5.2
119.03493	3.3
123.00932	0.5
123.04533	0.5
124.01676	0.5
125.02423	5.3
125.06077	0.8
131.03508	0.8
135.08153	0.7
143.03477	2.2
145.05035	0.5
161.04506	2.7
163.11279	4.4
165.12833	2.8
179.05591	3.9
179.14459	0.4
181.12271	1.0
183.13928	1.9
191.10837	0.8
195.13885	5.2
209.11797	97.4
209.59158	0.4
210.12119	4.0
211.13405	1.9
217.07124	0.4
220.10878	0.4
221.06573	1.0
223.13380	3.5
225.14906	0.4
227.12854	13.0
228.13438	1.2
235.08217	4.2
235.17030	1.7
250.15343	0.5
253.09291	0.8
256.13058	0.7
259.08365	0.5
275.20090	7.1
287.07568	1.3
293.21182	100.0
294.21487	6.5
305.08734	1.3
309.20544	0.6
323.09894	1.3
379.12320	3.6
397.13440	41.4
398.13965	2.7
415.14487	12.6
589.24664	0.9
607.26056	3.4
673.34186	0.8
691.35065	1.5
752.34875	0.5
901.47913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50459	0.5
68.99809	0.5
69.03437	1.2
69.76752	1.8
69.77161	0.9
71.01373	15.1
72.99297	1.3
73.02942	2.5
80.02650	0.6
81.03452	2.1
83.01396	1.6
83.05025	5.0
84.02164	0.9
85.02931	4.3
86.17423	0.5
87.00870	4.1
89.02431	12.7
93.67656	0.5
95.01389	1.2
95.05035	0.8
96.96004	5.6
97.02924	2.3
98.19970	0.6
99.00882	0.9
99.04508	0.5
101.02425	10.1
111.08183	0.8
112.98605	0.9
113.02429	7.3
115.03988	0.5
119.03490	3.0
121.10203	1.6
125.02444	5.1
125.06145	0.7
129.58719	0.4
131.03481	0.7
139.03937	0.5
143.03477	2.3
161.04565	3.3
163.11287	4.2
165.12857	3.3
167.03513	0.5
171.10258	4.3
179.05579	3.9
179.14401	0.7
181.12361	1.1
183.13910	0.8
191.10765	1.1
195.13882	5.7
209.11800	97.4
210.12126	4.3
211.13403	2.6
213.75247	0.5
217.07130	0.6
221.06573	1.1
223.13367	4.9
224.13751	0.5
225.14986	0.6
227.12833	14.8
228.13431	1.5
235.08148	4.1
235.16866	0.7
251.12791	0.7
253.09279	0.9
256.13211	1.3
275.20117	12.1
276.20355	0.7
287.07739	1.1
291.19653	0.6
293.21191	100.0
294.21512	7.2
305.08755	1.0
309.20602	1.4
317.21063	0.5
323.09821	1.7
379.12457	3.8
397.13437	37.7
398.13983	2.3
415.14471	14.9
485.33044	0.5
589.25311	0.9
607.26056	2.4
673.34259	1.2
691.35809	1.2
730.70300	0.6
939.22040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51489	100.0
72.98291	19.0
80.95855	19.1
92.56971	20.4
110.25976	17.7
130.83595	17.5
222.28270	19.3
278.21487	20.3
441.22485	17.9
664.54919	17.6
793.15997	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	901.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	0.5
65.00326	0.3
71.01374	1.9
71.39742	0.4
72.99287	0.3
75.00838	0.8
79.95732	3.6
83.01384	0.6
85.02953	2.4
86.52542	0.2
87.00867	0.6
89.02463	0.4
93.03434	1.0
95.01373	1.0
95.48801	0.3
96.95998	11.7
99.00861	1.1
107.01369	1.3
109.02930	0.7
110.97523	0.4
113.02435	2.1
117.01907	0.3
121.02949	0.5
125.00690	0.3
133.02940	4.4
134.03380	0.2
136.01646	0.6
137.02443	1.7
141.95802	0.3
149.02382	1.6
151.00348	3.4
171.04472	0.4
175.02559	0.3
175.03943	2.1
179.03485	1.7
185.06053	0.5
197.06122	0.3
199.03984	1.6
201.01897	0.7
213.05521	0.5
217.04974	1.0
229.04993	0.3
235.73863	0.3
239.03400	0.3
239.05635	0.6
240.09499	0.3
241.04996	0.6
242.02188	0.4
243.02936	0.5
257.04614	0.4
284.03256	0.5
285.03998	100.0
286.04337	7.2
297.03897	0.4
327.05136	1.1
357.06079	0.8
424.08496	0.6
439.10620	14.5
440.11044	1.4
461.07181	56.0
462.07559	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	898.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	8.3
69.39056	21.9
69.39474	30.1
71.01377	15.1
80.66650	6.9
83.05005	10.3
83.20991	5.9
89.02435	13.6
93.03432	11.3
96.96007	14.4
99.00886	7.9
101.02439	6.8
105.97006	6.7
106.85448	7.0
113.02435	10.9
115.56770	6.4
125.02425	16.3
142.59599	6.0
145.62270	6.7
163.11304	7.6
191.05560	10.9
209.11813	100.0
210.12166	44.0
211.12376	16.6
227.12802	15.3
262.06778	6.2
361.58139	6.9
374.06897	7.1
397.13696	14.5
398.13971	9.8
399.13934	11.0
526.75732	9.9
649.79266	7.1
898.25256	17.5
898.40173	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	899.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01861	0.8
69.03453	3.5
71.01377	14.9
71.05016	2.2
71.62508	1.1
72.99297	1.2
73.02920	1.5
73.79634	0.6
79.28797	0.6
83.01397	1.9
85.02937	4.1
87.00860	3.5
89.02435	9.4
95.01408	0.8
96.95995	0.8
97.02937	1.9
97.06638	0.7
99.00928	0.8
101.02436	9.3
103.00365	0.6
111.04453	0.9
113.02445	4.7
119.03487	1.8
123.08111	0.9
125.02423	2.4
125.09723	1.7
130.69276	0.7
143.03529	0.9
151.11284	1.4
153.12822	1.3
158.28270	0.6
161.04521	2.2
161.09665	1.9
169.12320	1.2
171.10272	1.0
179.05554	0.8
179.10796	4.1
197.11806	59.4
198.12148	1.6
211.13310	1.3
221.06648	2.4
223.09737	2.3
241.10767	3.2
241.14362	1.3
253.09317	1.0
277.21695	20.8
278.22040	1.5
309.20505	0.7
397.13400	3.1
415.14502	0.9
501.50439	0.8
583.07147	0.8
639.24817	1.0
881.46973	1.0
899.46368	100.0
900.46765	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63245	1.4
71.01381	7.7
72.99313	0.6
73.02946	0.5
81.50487	0.4
83.01353	0.6
83.05043	1.3
85.02953	7.9
87.00875	1.8
89.02445	4.8
93.03458	3.2
95.01396	0.7
96.96008	5.1
99.04505	4.5
101.02451	2.8
107.01391	0.6
109.02964	1.1
109.06579	0.5
111.04526	1.6
113.02448	1.9
119.03487	1.4
123.04546	0.6
127.03993	2.0
127.23587	0.5
133.02966	2.4
137.02451	0.7
149.02467	1.1
151.00381	2.3
155.03517	0.5
165.12819	2.2
165.45523	0.4
171.02931	0.6
172.05293	0.9
173.04501	1.4
174.15919	0.5
175.04001	1.1
187.07629	10.3
188.08028	0.6
189.12903	0.8
191.05591	84.1
192.05939	2.6
199.03979	1.3
200.04726	0.7
207.13858	5.0
209.09828	0.9
209.11807	14.8
210.12158	0.9
211.04108	0.6
213.09222	1.0
215.07077	1.3
225.14922	3.9
227.03548	1.4
228.04175	1.2
229.08588	0.7
231.10216	0.6
241.04996	0.5
251.12886	3.6
256.03702	1.4
257.04047	0.6
257.08151	13.9
258.08514	1.3
269.13910	34.4
270.14374	2.6
271.02765	0.5
271.05972	0.6
275.09137	1.1
284.03253	31.1
285.03995	72.0
286.04318	15.7
287.04581	5.5
300.02615	0.9
327.05179	0.8
395.47134	0.5
433.07678	1.8
447.09280	53.7
448.09647	18.0
449.10303	12.1
449.14816	8.2
449.20181	100.0
450.14874	0.9
450.20517	8.7
463.08487	0.6
473.20798	1.1
928.99310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02350	0.2
63.31499	0.2
65.00328	0.2
67.01897	0.2
69.66139	0.7
69.66550	0.8
71.01376	0.7
81.03447	0.4
83.05013	0.4
85.02945	7.6
87.00877	1.2
93.03445	3.3
99.04530	0.3
101.02472	0.3
107.01411	0.5
109.02943	0.9
111.04507	0.9
117.03405	0.2
125.02443	0.8
127.04022	1.9
133.02959	1.0
137.02420	0.2
145.02948	0.3
149.02443	0.4
151.00368	0.8
159.04494	0.3
163.07578	0.2
171.02962	0.4
172.05293	1.1
173.04510	1.4
173.05927	0.5
175.03998	0.5
183.04477	0.5
187.03937	0.4
187.07632	9.8
188.08055	0.5
188.89162	0.2
189.05597	0.2
191.05594	100.0
192.05923	2.9
199.03928	1.2
200.04803	0.7
204.04156	0.3
211.07587	0.5
213.09210	1.7
215.07132	2.4
223.04095	0.3
227.03511	1.6
228.04243	1.1
229.08595	0.6
231.10234	0.8
243.02925	0.3
256.03729	0.4
257.08170	16.8
258.08472	1.1
269.13910	0.9
275.09222	1.3
284.03229	12.4
285.03995	31.1
286.04312	4.4
287.04645	1.1
327.04965	0.3
405.11472	0.3
431.13324	0.7
447.09274	29.3
448.09573	5.8
449.09659	1.8
449.14514	10.4
449.20309	2.1
450.09473	0.3
450.14896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00308	0.7
65.03950	0.8
70.46077	1.3
70.46440	1.2
73.44941	0.6
77.03943	0.5
81.03454	1.2
81.23344	0.6
83.01365	3.2
93.03456	2.6
95.01322	0.8
95.05023	0.8
95.60140	0.6
96.96008	1.4
97.02959	3.0
105.03453	1.2
107.05005	2.6
108.02169	0.9
109.02952	11.0
117.03423	0.9
119.05011	1.0
121.02934	6.2
122.03683	0.8
123.00881	1.0
123.04499	6.8
124.01625	1.3
125.02431	82.1
126.02772	2.6
131.04999	2.1
133.02957	3.5
135.04507	1.9
137.02426	16.4
139.03966	2.7
145.02945	0.9
147.00867	1.1
147.04497	1.3
149.02431	11.0
149.06024	0.9
150.03131	0.9
151.03990	15.4
159.04468	2.0
161.02477	3.0
161.06073	2.4
163.00392	3.0
163.03996	3.5
164.01125	5.1
165.01906	6.2
166.02597	1.2
167.03473	2.7
173.02431	1.4
173.06055	1.1
174.03230	0.8
175.03975	21.6
176.01135	1.7
176.04359	0.6
177.01904	100.0
178.02299	4.4
179.03505	1.9
183.04512	0.8
187.03979	5.2
188.04742	1.8
189.01872	3.0
189.05574	1.2
190.02544	0.8
191.03477	4.2
193.05000	1.8
199.04015	7.2
200.04582	0.7
201.01939	2.2
201.05548	1.6
203.03473	1.3
203.07083	4.9
205.01524	1.1
205.05029	3.9
211.03970	1.7
212.04855	0.7
213.05556	0.7
214.02606	1.1
215.03447	2.2
217.01468	1.6
217.05000	10.9
219.02957	7.6
219.06593	0.7
227.03413	1.9
228.04152	1.1
229.05013	2.8
231.02972	2.4
231.06485	0.7
233.04332	0.8
237.57335	0.6
241.04929	1.1
243.02933	44.5
244.03279	2.1
245.04594	0.8
245.05846	0.8
245.08151	6.3
247.05914	0.7
253.04858	1.0
255.03004	8.8
256.03693	3.3
257.04474	2.4
259.05960	1.4
261.03979	19.2
261.06747	1.0
262.04413	1.1
267.02930	1.3
269.04480	2.9
273.03885	2.9
281.04648	3.5
282.01822	1.0
283.02509	3.3
284.03201	0.8
285.04041	4.2
285.06870	1.0
287.05328	0.8
289.07156	24.2
290.07364	1.4
291.06549	0.6
293.04446	0.9
295.02487	1.1
297.03961	1.2
301.03629	0.7
303.05054	28.7
304.05478	1.4
305.06601	2.0
309.55072	0.7
311.05548	0.9
313.03268	0.7
315.05017	2.5
315.08749	1.6
339.08771	1.7
341.06650	1.2
347.05515	1.4
373.03696	1.1
374.04333	0.9
375.05038	1.0
381.09705	0.8
383.07562	1.5
387.06573	0.7
389.06400	0.7
391.04453	3.1
392.04935	0.7
397.05460	1.3
407.07620	21.9
408.07947	2.0
411.06882	1.3
421.05518	5.1
423.07147	1.3
425.08728	10.7
426.09280	1.2
429.08130	7.2
439.06628	3.9
441.08047	1.2
447.07477	0.8
449.08749	0.8
465.08078	0.7
467.09659	8.0
468.10526	0.9
481.07703	3.8
517.11768	0.9
525.08063	6.0
526.08978	0.9
543.09167	15.1
544.09607	2.1
559.08539	4.0
561.10144	3.4
565.09839	1.2
577.09552	1.7
585.10248	1.7
593.12781	11.7
594.12970	2.1
594.21997	0.7
603.11353	2.6
607.10675	3.7
693.12488	0.7
711.13409	20.1
712.13617	3.5
729.14575	5.7
771.15759	2.6
897.18970	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	897.187
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.0
81.03453	1.3
83.01391	3.0
89.03977	1.1
89.30098	0.7
93.03458	5.2
95.01382	1.3
96.95977	1.3
97.02957	2.1
105.03458	0.8
107.05020	3.7
109.02954	10.0
121.02921	6.2
123.00872	1.5
123.04499	6.4
125.02442	84.8
126.02796	1.8
131.04996	2.3
133.02966	4.4
135.04498	1.4
137.02435	17.2
138.03104	0.7
139.04004	2.4
143.05008	1.0
145.02966	1.0
147.00864	0.8
149.02431	10.8
151.03996	18.1
153.01851	1.2
159.04478	2.1
161.02411	2.9
161.06067	2.2
163.00368	3.3
163.04013	5.0
164.01149	4.7
165.01923	5.4
166.02625	1.0
167.03467	3.5
168.46478	0.8
173.06082	1.0
175.00262	0.8
175.03990	22.0
175.07523	0.9
176.01157	1.4
176.04427	0.9
177.01920	100.0
178.02278	4.1
179.03447	1.3
187.04021	6.2
189.01970	1.8
189.05446	1.5
190.02687	1.0
190.60463	0.8
191.03503	4.5
193.05035	3.6
199.03975	5.6
201.01947	2.4
201.05534	2.1
202.99608	0.9
203.03543	1.4
203.07156	3.8
205.01398	1.4
205.05025	2.5
211.04015	2.4
213.05687	1.0
214.02660	0.9
215.03508	2.4
217.01471	2.2
217.05009	11.6
219.02965	9.4
225.05441	1.0
227.03479	1.3
228.04338	0.8
229.04994	2.5
229.16754	0.8
231.02928	3.3
233.04459	1.3
235.06107	1.5
241.05124	1.1
242.02098	0.8
243.02954	32.3
244.03362	2.4
245.04527	1.3
245.08171	5.0
247.05978	1.6
255.03018	9.0
256.03558	2.0
257.04523	2.2
259.06235	1.5
261.03940	18.0
262.04364	1.3
267.02985	1.1
269.04510	3.5
273.04034	2.5
281.04565	2.8
282.04782	0.9
283.02487	3.1
285.04013	3.7
287.05664	1.6
289.07184	20.8
290.07520	1.2
293.04395	0.9
295.02505	1.2
297.03967	1.5
297.07629	0.9
301.03467	1.0
303.05072	25.4
304.05478	1.2
315.05038	2.0
339.08783	1.0
341.06595	1.9
347.05624	1.3
353.06769	1.0
383.07550	1.7
391.04529	2.6
407.07693	22.2
408.08011	1.8
411.07220	0.9
421.05585	3.2
423.07135	1.2
425.08820	11.4
426.09238	1.2
429.08246	7.5
439.06601	4.5
441.08322	1.3
457.08817	1.2
467.09753	7.3
468.09732	1.1
469.09271	0.8
481.07864	4.0
499.10190	1.2
525.08240	6.4
543.09357	13.3
544.09741	1.9
559.08527	1.7
561.10486	5.8
577.10608	1.3
585.10065	1.4
593.13165	8.3
594.13483	1.2
603.11688	2.5
607.10907	3.9
693.12244	2.0
711.13361	13.5
712.13922	2.8
729.14337	7.2
771.15546	2.5
897.19043	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	895.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.4
65.00321	0.5
66.78032	0.1
69.39331	1.0
76.79925	0.1
83.01358	0.3
105.03439	0.2
107.01385	1.0
109.02937	0.3
111.31106	0.1
121.02876	0.2
132.02191	0.1
133.02934	2.3
133.18684	0.1
134.03702	0.3
135.19781	0.1
149.02469	0.7
149.99467	0.2
151.00346	2.4
158.03778	0.1
171.04489	0.2
175.03973	1.1
177.01880	0.2
183.04593	0.1
185.05997	0.2
187.03908	0.2
197.06137	0.2
198.03142	0.2
199.03940	1.0
200.04674	0.3
201.01839	0.3
211.03952	0.4
212.04729	0.2
213.05511	0.3
215.03424	0.3
217.04997	0.5
227.03462	0.7
239.03387	0.3
240.04236	0.2
241.05048	0.5
243.02957	0.3
246.90068	0.1
255.03033	0.4
256.03757	2.0
257.04486	0.3
269.04373	0.1
283.02335	0.4
284.03217	36.0
285.03986	83.1
286.04327	3.6
297.03888	0.3
327.05048	0.9
447.09247	100.0
448.09579	9.0
498.26965	0.1
743.45538	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	895.193
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02123	0.1
63.02398	0.6
65.00296	0.8
71.32185	0.2
75.02828	0.1
75.05300	0.1
83.01373	0.4
105.03430	0.1
107.01373	1.0
109.02922	0.3
121.02926	0.2
132.02153	0.2
133.02937	2.5
134.03709	0.5
148.01643	0.2
149.02434	0.9
149.99582	0.1
151.00357	2.4
151.04062	0.1
169.01312	0.1
175.04012	0.9
177.01947	0.1
183.04501	0.2
188.04910	0.2
197.06059	0.3
198.03168	0.2
199.03944	1.3
200.04706	0.4
201.01955	0.3
211.03993	0.6
212.04794	0.2
213.05414	0.2
215.03574	0.2
217.04990	0.8
227.03491	0.6
229.04938	0.2
239.03474	0.3
241.05003	0.5
243.02905	0.5
255.02907	0.3
256.03699	2.1
257.04343	0.4
267.02844	0.2
269.04474	0.4
283.02527	0.2
284.03223	41.5
285.03995	91.3
286.04340	5.7
297.04010	0.4
299.05704	0.2
327.05035	1.0
328.05484	0.2
447.09259	100.0
448.09595	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	893.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02381	1.2
65.00338	0.8
67.01910	0.3
68.99795	0.4
71.01369	3.6
72.99294	0.6
73.02948	0.3
75.00858	1.3
83.01356	0.6
85.02942	8.1
86.03275	0.7
87.00870	1.5
88.01131	0.3
89.02412	0.4
90.87395	0.3
93.03448	0.4
95.01383	2.3
96.95990	0.3
98.20734	0.6
99.00862	2.8
100.01223	0.4
101.02422	0.2
103.00336	1.3
105.03430	0.4
107.01349	1.7
113.02438	14.1
114.02760	2.1
115.00334	0.6
115.02859	0.3
117.01901	0.6
117.03424	2.3
118.03782	0.4
121.02939	0.5
125.02393	0.3
129.01904	0.4
133.02954	1.9
135.16689	0.3
137.02425	0.3
143.14789	0.3
146.66275	0.3
148.01619	0.4
149.02435	1.8
151.00362	3.4
159.04449	0.6
160.04926	0.4
161.02411	0.8
171.04489	0.3
175.02473	8.4
175.03979	0.7
176.02792	1.1
177.02921	0.4
183.04500	0.5
192.84215	0.2
197.06021	0.5
199.03951	0.9
201.05562	0.4
211.03947	0.5
217.04951	0.6
225.05498	0.9
227.03444	0.6
241.05045	0.4
243.02733	0.3
255.02907	0.4
256.03757	1.9
269.04501	52.6
270.04843	18.2
270.07828	0.6
271.05066	8.3
283.02484	0.4
284.03214	35.4
285.03992	80.9
286.04324	5.0
327.05066	0.9
397.14978	0.6
445.07684	14.0
446.08017	6.3
447.09216	100.0
448.09534	9.3
507.32565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	0.8
70.24606	0.6
70.24943	1.7
71.01373	15.3
72.99301	1.3
73.02939	2.3
81.03466	0.8
83.01377	2.3
85.02948	3.4
87.00869	4.6
87.09838	0.5
89.02435	12.3
95.01369	1.5
97.02911	2.5
98.19881	0.6
99.00851	0.8
101.02431	12.7
113.02441	6.8
116.92834	0.9
119.03482	3.8
125.02428	7.6
125.09737	0.8
127.11269	2.4
133.05052	0.5
137.02518	0.6
139.04048	1.0
141.01859	0.5
143.03467	2.0
153.09216	0.8
161.04543	4.8
161.41391	0.6
167.03520	0.9
171.10245	100.0
172.10622	2.9
177.93649	0.5
179.05605	3.3
199.06039	1.2
209.11774	0.6
211.46545	0.6
213.11354	0.8
217.07115	1.5
221.06589	1.4
222.53503	0.5
235.08167	4.7
253.09204	1.3
258.13403	0.6
259.08258	0.9
277.21677	57.4
278.22073	3.5
279.23337	0.7
282.79285	0.5
287.07721	2.3
305.08841	2.6
323.09744	1.6
379.12366	17.8
380.12622	1.1
397.13440	44.5
398.13660	2.5
415.14490	7.4
532.77698	0.6
551.23395	4.8
569.24475	5.3
657.34869	2.2
675.35645	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	891.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	0.7
65.00327	0.5
67.54237	0.2
71.01384	2.0
71.62389	0.2
72.99287	0.5
73.02950	0.2
75.00872	0.6
83.01396	0.4
84.33843	0.2
85.02943	2.4
87.00872	0.7
89.02424	0.3
95.01363	0.8
99.00863	1.1
103.00353	0.3
105.03471	0.2
107.01366	1.1
109.02954	0.6
113.02438	2.3
115.00362	0.3
117.01955	0.4
121.02928	0.3
125.02435	0.3
129.01939	0.2
133.02939	4.7
147.04507	0.3
149.02423	1.5
151.00363	3.7
171.04425	0.2
175.02487	0.3
175.03937	1.8
177.01859	0.4
185.06042	0.2
189.05611	0.2
197.06046	0.3
198.03233	0.3
199.03970	1.8
201.01866	0.4
213.05504	0.5
215.03523	0.3
217.05055	1.2
228.34286	0.2
229.04967	0.2
241.05002	0.7
242.02029	0.2
243.02979	0.5
249.84416	0.2
255.02962	0.2
257.04611	0.4
267.02896	0.2
284.03366	0.5
285.04010	100.0
286.04361	5.5
287.01920	0.2
297.03979	0.2
315.01520	0.3
316.02036	0.2
327.05063	1.2
330.03778	0.5
331.04428	0.2
355.04373	0.3
357.05984	0.9
357.64941	0.1
369.06067	0.3
381.05795	0.3
399.07712	0.2
461.07196	54.0
462.07578	4.5
463.07654	0.2
639.15802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	0.7
65.00307	0.6
69.71791	0.2
71.01384	2.2
71.62627	0.3
72.99292	0.3
75.00858	0.8
83.01389	0.5
83.83806	0.2
85.02940	2.5
87.00880	0.7
89.02428	0.4
95.01372	0.8
96.96001	0.3
99.00862	1.1
101.02447	0.3
107.01405	1.4
109.02936	0.5
109.10748	0.2
113.02447	2.3
117.01950	0.4
121.02937	0.6
125.02428	0.5
133.02008	0.4
133.02936	4.7
134.06104	0.3
144.58362	0.2
149.02425	1.2
151.00352	3.1
151.03914	0.3
175.02518	0.4
175.03963	2.0
177.01898	0.2
185.06084	0.2
191.05562	0.5
198.03194	0.2
199.03975	1.9
201.01869	0.7
213.05487	0.4
217.05020	1.2
240.04233	0.4
241.05066	0.8
243.02924	0.5
257.04550	0.3
267.02853	0.3
283.02487	0.3
284.03278	0.5
285.04016	100.0
286.04361	6.9
287.04660	0.3
297.03925	0.5
327.05048	1.2
355.04626	0.3
357.06122	1.1
381.05981	0.3
408.64426	0.2
461.07214	55.5
462.07544	5.6
463.07819	0.3
501.15091	0.9
511.25897	0.2
533.17822	0.5
564.33533	0.3
822.95471	0.2
887.32123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98792	0.2
68.99805	0.2
69.03445	1.1
70.71024	0.2
71.01375	15.1
72.87330	0.2
72.99294	1.2
73.02940	2.7
75.00872	0.2
80.02657	1.0
81.03447	2.5
82.92810	0.2
83.01383	2.0
83.05016	5.2
84.02163	0.8
85.02946	3.3
87.00868	3.7
87.04497	0.2
89.02436	12.2
91.04018	0.3
95.01385	1.1
95.05013	0.7
97.02929	2.6
97.06571	0.3
99.00886	0.6
99.04514	0.2
101.02434	10.7
109.02945	0.3
109.06606	0.4
111.00907	0.3
111.04517	0.3
111.08100	0.2
111.77702	0.2
113.02438	6.8
115.04005	0.3
115.82027	0.2
119.03479	2.8
121.03002	0.2
125.02441	5.7
125.06057	0.6
127.03992	0.3
131.03479	0.7
133.05086	0.5
135.06244	0.1
135.08148	0.7
137.02335	0.2
139.03990	0.4
141.01926	0.5
143.03490	2.3
149.04512	0.3
155.26677	0.2
161.04552	3.4
163.11273	3.9
165.12820	2.2
167.03493	0.4
169.05000	0.3
179.05579	3.8
181.12363	0.7
190.01096	0.2
191.10814	1.1
199.06116	0.4
207.10170	0.3
209.11804	100.0
210.12158	4.4
217.07146	0.8
219.04999	0.3
221.06694	1.2
227.12862	11.9
228.13203	0.6
235.08212	5.6
245.06598	0.3
251.12892	0.3
253.09314	0.9
259.08188	0.4
263.07666	0.5
275.20062	0.2
277.21686	49.7
278.22018	3.5
287.07663	1.7
305.08786	2.2
323.09714	0.9
361.11548	0.3
379.12384	7.0
380.12851	0.2
397.13452	35.2
398.13919	2.3
415.14514	8.8
416.14795	0.8
589.24811	0.7
607.26202	1.2
625.26477	0.3
675.35999	0.7
885.47937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68419	0.8
71.01366	0.2
74.91488	0.1
79.95730	6.2
80.96523	0.1
83.76088	0.1
95.95240	0.2
96.96001	100.0
97.95914	0.2
102.70486	0.1
107.49422	0.1
110.97588	0.5
121.02958	0.2
123.04487	0.2
125.02447	0.3
136.01674	0.2
137.02419	0.8
139.32228	0.1
145.02930	0.2
150.03215	0.2
151.00360	0.1
151.04010	0.6
163.04044	0.3
163.91147	0.2
175.03970	0.3
177.01930	0.2
177.05598	0.2
178.02191	0.2
186.34781	0.1
188.27972	0.1
191.05573	0.4
216.97945	0.2
221.08131	0.1
245.01094	0.2
269.08209	0.2
279.06625	0.4
285.04019	0.5
289.11148	0.2
297.07587	1.1
312.09946	1.1
313.10565	0.3
327.12326	0.4
422.07034	0.3
437.09042	63.4
438.09378	6.1
447.09082	0.4
512.64142	0.2
626.04205	0.2
824.68958	0.2
835.29211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.3
68.64668	0.2
68.99804	0.4
69.03445	0.9
69.41530	0.3
69.41871	1.6
71.01378	12.5
72.01711	0.2
72.99285	1.0
73.02947	1.8
75.00851	0.5
78.62802	0.2
80.02671	1.2
81.03455	1.9
83.01381	1.8
83.05019	5.5
84.02149	1.0
85.02951	2.6
86.00053	0.2
87.00867	3.2
89.02439	11.4
93.03450	0.3
95.01408	0.9
95.05009	0.7
97.02942	2.3
99.00870	0.5
99.04519	0.3
101.02435	10.2
109.02984	0.2
109.06575	0.3
111.00858	0.2
111.04519	0.5
113.02444	6.1
115.04038	0.3
119.02726	0.3
119.03487	3.0
121.03016	0.2
125.02431	5.1
125.06037	0.5
127.03968	0.2
129.02017	0.2
130.72363	0.2
131.03468	0.9
131.04335	0.2
133.05101	0.2
135.08118	0.6
135.46161	0.2
139.03992	0.3
141.01947	0.4
143.03496	1.9
143.50816	0.2
147.11746	0.2
149.04539	0.4
161.04546	3.3
163.11278	3.9
165.12839	2.5
167.03534	0.3
179.03973	0.3
179.05592	3.4
181.04964	0.2
181.12263	0.4
185.04585	0.2
191.10754	0.9
199.06041	0.3
199.13354	0.3
209.11806	100.0
210.12144	4.1
217.07117	0.8
221.06673	1.4
227.12866	11.4
228.13225	0.6
235.08195	4.5
236.08542	0.3
245.06560	0.3
251.12848	0.6
253.09195	1.0
259.08316	0.3
259.20660	0.2
263.07678	0.4
269.06744	0.2
275.20074	0.3
277.21686	42.4
278.22061	3.4
287.07709	1.7
288.30096	0.2
305.08768	1.8
323.09805	1.1
361.11337	0.3
379.12457	5.7
379.17392	0.3
380.12866	0.5
397.13467	31.5
398.13748	2.0
415.14539	7.1
416.14764	0.5
589.25037	0.7
607.25604	1.3
608.25568	0.3
675.36078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.9
73.02927	0.5
85.02946	0.4
89.02475	0.5
93.03439	0.4
96.95984	0.7
98.20636	0.6
101.02426	0.6
102.98600	0.6
113.02489	0.3
117.03454	17.9
118.03785	0.6
119.05014	10.1
120.05314	0.6
121.02930	0.7
133.06606	1.3
138.90424	0.3
145.02934	66.7
146.03270	2.6
147.04512	1.4
148.05286	100.0
149.05608	3.7
154.80995	0.3
159.04469	1.0
161.04672	0.4
161.06067	2.4
163.03993	10.1
163.07626	84.5
164.04361	0.3
164.07953	3.4
177.05511	0.7
187.04001	3.1
203.05609	0.4
205.05063	2.5
209.11717	0.4
217.04990	0.3
235.06071	1.6
247.06131	0.3
249.70099	0.3
265.07034	2.7
273.81396	0.3
303.61304	0.3
307.08194	8.7
308.08652	0.4
309.07779	0.5
314.41226	0.3
316.97406	0.3
325.09302	1.2
351.08652	0.3
367.13885	1.2
381.09860	0.7
411.10751	2.5
471.12878	38.0
472.13266	4.5
780.41650	0.3
913.88190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	1.1
65.00318	7.1
66.57333	0.2
69.90981	1.4
71.01374	2.2
76.29955	0.3
83.01364	3.4
85.02950	0.6
89.02422	1.8
90.93275	0.3
93.03448	0.9
96.96017	1.1
98.19859	0.4
99.04524	0.5
99.25752	0.3
101.02448	0.8
103.62123	0.3
105.58504	0.3
107.01380	14.4
108.02213	0.3
108.99332	0.4
109.02947	2.0
113.02436	0.6
119.03502	0.7
120.99660	0.7
121.02964	0.4
125.02438	4.3
128.51698	0.3
128.61679	0.3
133.02896	0.3
134.03760	1.1
135.04512	56.8
136.04837	2.2
137.02444	0.3
145.02930	0.3
147.04494	0.4
151.00356	100.0
152.00694	2.6
159.04536	0.4
161.02417	1.2
161.13333	0.4
163.03857	0.2
164.01195	0.6
165.01936	0.7
169.01408	1.0
174.03247	0.4
177.01909	1.2
179.05676	0.4
191.05589	0.8
196.00021	0.3
203.03421	0.3
205.12335	1.1
223.04291	0.3
249.11319	2.3
257.82666	0.2
269.04520	0.9
285.03787	1.6
286.04440	1.1
287.05579	61.2
288.05923	4.0
297.09830	0.6
429.17676	2.9
430.18219	0.4
447.09067	0.6
448.09647	0.4
449.10812	84.3
450.11154	8.1
475.09149	0.4
623.34143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72433	0.5
65.00311	0.8
66.63410	0.5
67.01888	0.6
70.13629	0.8
70.13977	2.8
81.03453	2.3
83.01403	4.4
89.03929	0.9
93.03458	2.3
95.01389	1.1
95.04998	1.4
97.02946	2.2
105.03459	1.4
107.05033	2.4
108.02170	1.2
109.02946	14.6
121.02952	5.9
122.03722	1.7
122.26352	0.8
123.00930	1.0
123.04519	9.5
124.01629	1.0
125.02438	100.0
126.02764	2.1
131.05045	2.0
133.02966	5.3
135.04500	2.3
137.02435	20.1
137.03490	1.0
139.04013	2.8
145.02921	1.5
147.00885	0.7
147.04489	2.0
149.02438	9.1
149.06058	1.3
150.03276	1.0
151.03996	15.0
151.05208	1.1
153.01869	0.7
155.05005	0.7
155.29301	0.9
159.04480	3.2
160.05382	0.6
161.02432	19.1
161.06050	2.5
162.03128	2.0
163.00398	3.6
163.04016	5.8
164.01141	4.8
165.01929	7.7
166.02531	0.8
167.03545	3.0
173.02385	0.8
173.06088	1.9
174.03209	0.8
175.00075	0.7
175.03996	23.1
175.07532	0.8
176.01114	1.5
176.04265	0.9
177.01915	67.6
178.02304	2.3
179.03497	3.2
185.06042	0.8
187.03989	6.3
188.04674	1.8
189.01923	3.4
189.05515	0.8
190.02690	1.1
191.03500	3.5
193.05040	1.2
199.04019	5.8
199.07677	0.9
201.01932	1.5
201.05486	1.6
202.06329	0.6
203.03543	2.9
203.07100	5.6
204.07109	0.8
205.01477	1.4
205.05057	4.7
205.12894	0.6
211.03964	0.9
213.05603	2.1
214.02776	1.1
215.03505	2.1
216.04070	0.7
217.01488	1.1
217.05019	10.1
219.02982	6.3
219.06580	1.1
225.05515	0.7
227.03445	2.2
227.07108	0.9
228.04367	0.8
229.05049	3.3
231.02963	2.1
235.05974	0.6
241.05156	1.0
241.95482	0.7
242.02235	0.8
243.02943	30.1
243.06743	1.5
244.03455	2.4
245.04547	5.0
245.08183	7.8
253.05078	1.0
255.02991	9.0
256.03656	2.3
257.04428	1.7
259.02612	0.8
259.06064	1.0
261.04028	13.6
262.04337	0.9
267.02936	1.1
269.04538	3.4
271.06293	0.8
273.04056	2.2
281.04562	2.8
282.01648	0.8
283.02463	2.1
285.04034	3.9
287.05579	16.2
288.05927	0.9
289.07147	32.1
290.07559	1.7
297.03992	1.1
303.05081	11.2
305.06824	1.6
315.05179	2.9
315.08591	1.4
327.05048	2.5
339.08789	1.5
341.06696	1.6
345.05042	0.7
347.05487	1.0
373.03491	0.7
381.10184	1.4
383.07587	1.2
391.04425	1.5
395.07626	1.7
407.07684	27.2
408.08136	2.5
410.22757	0.7
413.08704	10.5
417.05356	0.8
421.05563	2.8
423.07315	2.7
425.08765	16.4
435.06931	1.3
439.06601	3.2
441.08264	1.2
447.07541	0.9
449.08432	0.9
465.08182	5.2
467.09811	8.3
468.09534	0.8
525.08057	4.2
543.09192	8.8
544.09686	1.2
549.10602	0.9
561.10492	5.1
562.10901	0.8
569.10901	2.7
575.12048	1.5
587.12067	4.7
588.12500	1.0
591.11285	5.1
593.12939	14.0
594.13544	1.3
603.11578	1.0
616.12207	1.3
691.89447	0.7
695.14508	3.3
711.13647	7.1
713.14868	4.3
729.15173	2.4
755.04419	0.8
755.16016	3.8
881.19775	2.1
882.19269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02389	0.5
65.00316	0.8
71.01389	2.3
71.62819	0.4
72.99300	0.5
73.78686	0.2
75.00870	0.8
83.01375	0.5
85.02953	2.2
87.00851	1.0
89.02429	0.6
95.01366	0.6
96.36024	0.3
96.96021	0.4
99.00869	1.1
99.04507	0.2
103.00362	0.3
107.01363	1.2
109.02937	0.8
113.02446	2.6
115.00340	0.5
117.01909	0.5
119.03693	0.2
121.02919	0.5
125.02441	2.1
133.02946	4.0
145.02893	0.4
147.04539	0.3
149.02469	1.4
151.00336	3.0
161.02548	0.2
164.13931	0.2
165.05530	0.3
175.02504	0.6
175.03970	1.7
185.06021	0.3
187.64415	0.2
191.05478	0.5
198.03181	0.4
199.04013	1.8
201.01968	0.5
213.05515	0.4
217.05066	1.3
223.03972	0.2
241.05045	0.9
243.02972	0.5
253.07124	0.9
257.04468	0.5
267.02853	0.3
284.03131	0.6
285.04010	100.0
286.04373	6.2
297.04007	0.5
299.05771	0.3
300.02780	0.6
315.05176	1.0
327.05231	1.2
355.04907	0.3
357.06137	1.3
381.06436	0.4
415.12302	0.3
461.07202	59.0
462.07565	5.7
462.12994	0.2
463.07846	0.3
491.08463	0.7
613.95270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.74731	0.1
62.98526	0.2
70.47071	0.5
81.93844	0.1
82.70854	0.1
84.57249	0.1
212.84935	0.1
278.22437	0.2
651.86731	0.2
684.85889	0.2
854.24103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.468
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99567	2.0
69.03449	1.4
69.33578	6.8
71.01040	1.1
71.01385	13.9
72.99290	1.2
73.02930	3.2
83.01380	1.4
85.02942	3.2
87.00854	2.1
87.10998	0.8
89.02439	11.5
95.00704	0.8
97.02941	1.9
97.06597	2.2
99.00859	1.9
100.60490	0.9
101.02444	10.1
112.98562	2.5
113.02437	4.8
119.03487	2.3
125.02398	2.4
143.03529	1.4
151.11298	8.5
161.04541	1.1
169.12328	61.0
170.12624	1.5
179.05574	0.9
195.10373	0.9
213.11310	9.4
221.06566	3.1
277.21695	14.5
278.22116	1.0
397.13443	2.6
611.25836	2.1
871.46875	100.0
872.47314	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	3.4
61.99098	0.8
69.03481	0.8
70.51983	2.5
71.00981	1.4
71.01373	19.8
72.99293	1.4
73.02929	3.3
81.03434	1.1
83.01381	1.5
85.02934	4.6
87.00860	5.0
89.02431	15.7
95.01343	1.3
97.02940	2.6
101.02430	14.2
113.02419	7.3
119.03491	4.4
125.02426	6.8
125.09712	0.9
127.11243	2.2
141.01732	1.3
143.03459	3.2
153.09154	1.0
161.04507	4.8
167.08427	0.7
170.18689	0.9
171.10243	100.0
172.10577	3.6
179.05629	4.7
199.06067	0.9
217.07106	1.5
221.06604	1.2
230.84869	0.7
235.08165	5.4
253.09332	1.7
255.23253	73.4
256.23553	3.6
259.08179	1.5
269.24860	1.1
287.07678	3.3
305.08643	2.6
323.09824	1.3
379.12408	21.1
380.12726	1.6
383.02762	0.9
397.13455	45.7
398.13763	2.3
415.14398	6.8
453.34381	0.8
551.23230	6.6
569.24304	3.0
635.36255	4.5
636.38190	0.8
653.37433	6.8
654.37897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	19.8
71.09469	10.2
89.01971	4.2
89.02442	24.3
89.02958	4.4
92.02872	4.3
96.95986	4.9
101.02432	17.0
110.66281	4.7
111.63271	4.9
113.02395	6.1
115.58190	4.7
125.02439	9.1
161.04503	6.6
169.54005	4.9
171.10263	100.0
177.94122	4.7
179.05571	8.5
209.11804	14.2
210.12192	6.2
230.23647	5.5
235.08086	6.1
255.23387	6.5
277.21671	61.3
379.12338	23.2
397.13623	52.9
398.13504	6.9
415.14554	11.6
477.54831	4.6
525.74567	4.6
551.23389	14.7
569.24164	8.7
657.35016	6.9
675.35718	9.4
865.43573	49.7
866.43958	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	866.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
63.00657	0.3
71.62057	0.3
71.62505	0.3
80.96519	0.5
84.56047	0.3
85.49368	0.2
112.11413	0.3
126.08155	0.2
157.78859	0.2
159.40517	0.3
177.24144	0.3
384.82581	0.3
853.01752	0.3
866.50208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.4
69.03458	0.3
69.63573	1.5
69.63989	0.6
71.01371	6.5
71.05016	0.2
72.99290	0.4
73.02927	1.0
75.00853	0.3
78.45247	0.3
80.02661	1.0
81.03445	1.7
83.01367	1.0
83.05013	4.9
84.02143	0.8
85.02951	1.7
87.00848	2.2
88.84650	0.3
89.02433	7.1
93.03438	1.1
95.01366	0.6
95.05019	0.8
96.96010	0.6
97.02927	1.1
99.00874	0.6
101.02427	5.6
103.39365	0.3
109.02919	0.3
109.06597	0.3
111.04481	0.3
113.02443	3.9
119.03485	1.9
121.02927	0.3
124.01577	0.3
125.02436	2.6
125.06067	0.5
125.09687	0.3
128.38312	0.2
131.03519	0.4
135.08122	0.8
139.03993	0.3
143.03500	1.1
145.02928	0.8
161.04561	1.8
163.11264	3.9
165.12836	2.2
171.10153	0.3
179.05557	2.3
191.10748	1.0
207.10416	0.3
209.11790	100.0
210.10260	0.4
210.12154	5.2
221.06621	0.7
227.12846	14.6
228.13190	0.9
235.08167	2.8
247.13443	0.4
253.09322	0.4
263.07584	0.3
287.07663	0.7
305.08786	0.9
323.09671	0.8
367.51941	0.3
379.12540	3.4
397.13437	20.1
398.08810	0.2
398.13724	1.5
413.17715	0.3
415.14536	4.4
416.14734	0.7
450.14859	0.4
451.15033	0.5
578.48499	0.3
589.24792	1.2
607.25842	2.9
608.26038	0.4
632.34985	0.3
737.98474	0.3
799.37946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80204	0.3
62.03943	0.3
63.02402	0.5
64.28281	0.3
65.00333	1.0
71.01374	2.2
71.62759	0.3
72.99294	0.4
73.02946	0.3
75.00850	0.5
81.03461	0.5
83.01384	0.8
85.02946	1.8
87.00878	0.7
89.02451	0.4
93.03422	0.3
95.01372	0.6
96.95994	0.4
99.00870	0.6
101.02428	0.3
107.01381	1.3
109.02990	1.6
113.02439	1.1
120.99706	0.3
121.02942	0.8
121.14997	0.2
122.26643	0.3
123.04507	0.9
125.02435	11.4
126.02728	0.3
133.02921	0.6
135.04483	0.3
137.02437	2.1
139.04016	0.3
141.39113	0.3
145.02931	0.4
147.04514	0.4
149.01231	0.5
149.02432	7.9
151.00362	3.7
151.03979	1.7
159.04466	0.6
161.02434	4.0
161.06119	0.4
163.00325	0.7
163.03999	0.6
164.01161	0.9
165.01900	0.8
165.88498	0.3
167.03493	0.3
172.69583	0.3
173.06009	0.4
175.03940	2.2
177.01909	2.0
183.04564	0.4
187.03987	0.7
189.01849	0.7
191.03502	1.6
191.05501	0.5
199.03981	0.6
201.05582	0.8
203.03511	0.3
203.07208	0.6
205.05011	0.5
211.03990	0.4
215.03485	1.4
217.05093	1.9
219.03014	0.6
227.03468	1.2
229.05031	0.6
231.03030	0.4
233.04587	0.7
239.03458	0.9
243.02998	2.9
245.04544	1.5
245.08057	0.7
255.02965	2.5
256.03799	0.4
257.04510	0.7
261.04028	1.0
269.04788	0.4
273.03854	0.4
283.02475	0.9
284.03186	0.3
285.04022	0.4
287.05536	2.8
289.07202	1.8
299.05478	0.8
300.02744	0.9
301.03506	100.0
302.03851	6.7
313.03424	0.5
329.06802	0.3
343.04642	1.4
373.05566	0.8
387.16547	2.2
388.16867	0.5
405.06119	0.9
407.07648	2.5
413.08588	0.8
423.07382	0.6
425.08929	1.1
449.08881	0.7
451.10065	1.0
477.06689	73.7
478.06989	7.0
525.08478	0.4
543.09583	0.7
561.10956	0.3
575.11761	1.0
577.13556	0.9
587.12311	0.3
695.14276	1.4
713.14691	0.5
739.16821	0.5
825.02643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00293	1.1
71.60968	1.2
81.03454	1.2
83.01392	2.7
93.03428	2.1
95.05005	1.8
95.50039	0.9
96.96005	3.5
97.02927	2.6
107.05063	1.1
108.02113	1.7
109.02946	11.3
118.88779	1.0
121.02934	3.1
122.03794	1.1
123.04518	7.6
125.02433	100.0
126.02769	1.9
131.05052	1.3
133.02945	4.0
135.04536	2.1
137.02441	16.0
139.03955	1.2
147.04532	1.4
149.02444	4.2
151.04008	13.4
152.01137	0.8
159.04523	3.2
161.02415	30.2
161.03717	1.7
161.06023	2.1
162.00876	0.8
162.03105	1.6
163.00354	4.3
163.03978	4.5
164.01138	6.5
165.01924	7.3
173.06058	1.6
175.03957	14.1
177.01904	12.6
179.03502	3.0
187.03946	3.5
188.04681	1.9
189.01910	1.5
191.05544	1.1
199.03958	5.1
201.01976	1.1
201.05534	2.7
203.03528	2.3
203.07120	3.9
205.01326	1.4
205.05013	4.6
214.02692	1.2
217.04967	7.9
219.02896	4.3
227.03525	2.0
227.07092	1.4
228.04175	1.2
229.04947	2.9
231.02879	1.3
243.00443	1.0
243.02937	20.9
243.06593	1.8
244.03482	1.5
245.04547	11.0
245.08101	6.2
247.06264	1.3
255.02977	6.3
256.03607	2.6
257.04572	1.2
261.03983	5.2
269.04459	2.5
273.03979	1.7
281.04453	3.0
283.02332	2.2
285.03955	2.4
287.05594	28.8
288.06012	2.7
289.07169	21.0
289.86713	1.1
290.07468	1.0
299.05496	5.0
315.08737	1.8
329.07001	1.1
339.08514	1.5
341.06720	2.0
381.05701	1.2
405.05887	5.9
406.06232	1.0
407.07599	21.2
408.07681	2.4
413.08725	11.6
423.07208	5.2
425.08676	11.4
435.07141	1.2
449.08652	7.4
451.10089	7.4
543.09271	3.8
559.11761	1.5
561.10651	1.7
575.12024	10.0
576.11865	1.1
577.13391	11.7
578.13916	1.2
587.11975	4.0
695.13678	9.5
696.14783	1.7
713.15326	4.0
739.16254	2.2
865.19781	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	865.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.6
67.01861	0.4
69.03465	0.5
69.61346	1.4
69.61758	1.1
71.01373	0.8
74.18936	0.3
81.03444	1.5
83.01367	4.7
89.03972	0.5
93.03460	1.7
95.05009	1.2
96.95982	0.6
97.02934	2.1
103.94221	0.4
105.03425	0.7
107.05022	1.8
108.02166	0.9
109.02945	11.1
117.03465	1.0
119.05011	0.6
121.02947	2.7
122.03716	1.2
123.00870	0.5
123.04520	8.6
124.01634	0.6
125.02431	100.0
126.02759	2.1
131.05009	1.5
133.02925	6.0
135.00865	0.8
135.04506	2.0
137.02425	15.2
138.03223	0.5
139.04002	1.8
145.02856	0.8
146.03775	0.6
147.04504	1.4
149.02441	3.8
149.06047	0.9
150.03250	0.9
151.03992	13.0
158.03773	0.4
159.04515	3.2
161.02426	32.3
161.06076	1.9
162.03198	2.2
163.00386	3.4
163.03979	4.0
164.01147	5.9
165.01912	7.2
167.03462	1.3
173.02438	0.7
173.06076	1.9
174.03156	0.8
175.02481	1.5
175.03961	18.1
176.01137	1.4
176.04288	0.6
177.01904	12.3
177.05467	0.7
179.03465	2.7
183.04514	0.8
183.49219	0.5
185.06000	0.7
187.03979	4.8
188.04649	1.3
189.01891	1.8
189.05539	0.8
190.02766	0.6
191.03477	1.1
193.05049	1.0
199.03963	4.9
199.07686	0.5
201.01904	1.3
201.05544	2.0
203.03477	3.3
203.07091	4.6
205.01414	1.3
205.05066	3.2
211.04022	1.1
212.04716	0.5
213.05551	1.1
214.02757	1.3
215.03410	1.3
215.07086	0.8
217.01440	0.6
217.05019	8.0
219.02977	2.8
219.06731	0.7
221.08234	0.7
225.05540	1.0
227.03531	2.3
227.07129	1.1
228.04224	0.7
229.05028	1.7
229.53598	0.4
230.05556	0.4
231.02991	1.7
231.06590	0.8
232.03754	0.6
239.03467	0.5
241.04938	1.1
242.02031	0.7
243.02945	21.2
243.06659	0.9
244.03546	1.6
245.01900	0.8
245.04523	11.4
245.08170	5.8
246.04907	0.7
247.06128	1.2
253.05109	0.9
255.02982	7.0
255.06705	1.0
256.03650	2.3
257.04425	1.8
258.05142	0.5
261.04019	7.0
262.04382	0.5
268.03571	0.4
269.04529	2.4
273.04044	1.9
281.04364	1.9
282.01578	1.2
282.04965	0.5
283.02438	1.5
284.03030	0.5
285.04025	2.2
286.04633	0.5
286.75043	0.5
287.05579	26.7
288.05988	1.1
289.07144	20.5
290.07416	1.0
293.04584	0.5
295.05957	0.6
297.04086	1.0
297.07632	0.5
299.05563	4.0
311.05130	0.5
315.08936	0.5
329.06494	1.0
331.08038	0.7
339.08517	1.0
341.06732	1.2
363.05133	1.7
363.09213	0.5
383.07431	0.6
387.05008	0.8
391.04526	1.4
395.07767	1.0
405.05896	4.8
406.06546	0.6
407.07681	18.7
408.08023	1.5
413.08749	7.7
414.09103	0.7
417.06119	0.7
423.07074	4.4
424.07864	0.7
425.08783	10.6
425.14386	0.8
426.09027	1.2
435.07272	0.6
443.19370	1.0
449.08789	7.2
450.08917	1.2
451.10178	7.7
452.11014	0.5
517.11029	0.8
525.08582	1.9
533.10663	1.0
543.09320	5.2
559.12567	1.4
561.10681	1.4
569.10980	1.8
570.10199	0.6
575.12018	6.7
576.12170	0.8
577.13434	10.8
578.13855	1.3
587.12085	4.0
695.14063	8.3
696.14093	1.4
713.14941	3.3
739.16290	2.5
865.20001	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	863.5
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01456	0.2
65.37718	0.2
69.03452	1.2
70.47071	0.8
71.01378	16.5
71.96873	0.2
72.99306	1.2
73.02940	2.7
80.02692	1.3
81.03458	1.6
83.01384	2.1
83.05022	4.4
84.02179	0.7
85.02943	3.8
87.00873	4.1
89.02438	12.4
91.04023	0.3
95.01380	1.3
95.05013	0.8
97.02943	3.0
99.00886	1.2
99.04506	0.3
101.02432	11.4
109.02951	0.4
111.00903	0.4
111.04491	0.5
113.02439	7.0
113.03230	0.4
115.03951	0.2
119.03491	3.6
121.02889	0.2
123.00945	0.3
124.01614	0.4
125.02435	5.4
125.06071	0.4
127.04059	0.4
131.03491	0.6
133.05019	0.5
135.08130	0.5
137.02438	0.2
139.03981	0.6
141.01706	1.5
143.03491	2.6
147.11871	0.3
149.04489	0.2
161.04555	3.4
163.09993	0.3
163.11267	3.7
165.12846	2.3
167.03470	0.4
179.05597	3.3
181.12315	0.7
185.04565	0.2
191.10715	0.7
199.06039	0.4
209.11806	100.0
210.12138	5.1
217.07123	0.8
221.06671	1.5
227.12857	12.6
228.13203	0.8
229.59967	0.2
235.08200	5.2
236.08490	0.2
245.06592	0.4
253.09242	0.8
255.23265	53.8
256.23581	3.7
259.08142	0.7
263.07748	0.5
269.24915	0.7
287.07715	2.0
301.09225	0.3
305.08789	1.8
323.09836	1.2
379.12433	8.6
380.12640	0.8
397.13461	41.1
398.13782	2.9
415.14542	8.8
416.14835	0.7
589.24933	0.7
607.25934	1.0
635.36517	0.5
653.37476	1.5
654.37738	0.4
892.71350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02387	0.4
65.00325	0.8
71.01387	2.3
71.62686	0.3
72.99307	0.4
74.12086	0.2
75.00864	0.4
77.53729	0.2
83.01379	0.6
85.02945	1.7
87.00869	0.7
89.02458	0.3
89.90318	0.2
95.01374	0.5
96.95992	0.5
99.00854	0.6
103.00342	0.3
103.01975	0.2
107.01384	1.6
113.02499	1.0
113.03113	0.2
117.01900	0.3
121.02944	0.4
125.02434	1.6
133.02937	0.3
137.02409	0.6
141.46114	0.2
149.02428	7.8
149.03586	0.5
151.00360	3.8
159.04442	0.2
161.02434	0.3
175.04027	0.2
177.01805	0.4
183.04468	0.5
187.03998	0.5
191.03448	2.3
191.05457	0.5
193.01222	0.2
211.04044	0.5
214.02679	0.3
215.03488	1.4
217.01488	0.4
217.04915	0.3
227.03484	0.7
229.01353	0.2
229.05113	0.5
233.04512	0.8
239.03355	1.0
245.04567	0.2
255.03119	1.1
257.04492	0.5
259.02432	0.5
273.04089	0.3
283.02509	0.6
284.02921	0.3
300.02737	0.9
301.03503	100.0
302.03848	7.1
313.03540	0.4
315.04660	0.2
343.04575	1.8
371.03760	0.3
373.05624	0.8
381.19000	0.3
385.05933	0.2
397.05588	0.3
477.06699	79.4
478.07013	7.7
534.22437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65773	0.9
62.88464	1.0
65.03930	1.1
70.47189	2.3
70.47562	2.1
71.01378	1.2
81.03462	1.4
83.01395	3.6
88.76376	1.0
89.02402	1.4
90.70573	1.0
93.03452	2.2
95.01331	1.2
95.05006	1.5
96.95998	2.2
97.02937	4.4
97.41211	1.0
98.20541	1.3
100.24119	1.0
107.05009	1.9
108.02185	1.1
109.02936	16.8
119.05022	14.7
120.98838	1.8
120.99646	22.4
121.02943	4.0
122.03702	1.3
123.04507	12.7
125.02440	100.0
126.02778	1.9
131.04855	1.1
133.02956	4.7
135.04501	2.8
137.02431	21.9
139.03951	3.1
147.04494	1.4
149.02373	5.7
150.03123	1.5
151.04010	13.1
157.88676	1.0
159.04483	4.1
161.02432	30.0
161.06078	5.1
162.03142	2.9
163.00342	1.7
163.03992	5.4
164.01140	4.6
165.01923	6.4
167.03435	2.1
175.03996	11.3
177.01907	6.7
177.05492	1.9
178.02403	1.4
179.03481	5.3
183.04500	1.1
185.06076	1.9
187.03975	7.5
188.04733	4.0
189.01891	1.8
191.03920	1.2
191.05498	5.3
201.05560	2.3
202.06259	1.1
203.03448	1.5
203.07103	10.1
205.01349	2.8
205.05061	8.0
211.04002	1.6
214.02646	1.0
215.03549	1.8
217.04991	2.0
221.08206	1.6
225.05547	1.2
227.03560	2.3
228.04092	1.7
229.04965	4.2
231.02878	1.6
243.02936	4.0
243.06676	1.8
245.04507	6.3
245.08116	15.5
245.38809	0.9
253.05054	1.8
255.02933	11.2
256.03726	4.8
257.04407	1.6
269.04486	2.3
271.05835	1.4
273.04019	5.8
281.04507	4.4
283.02481	2.0
284.02933	1.1
285.04056	6.0
287.05585	14.3
289.07150	58.4
290.07462	3.4
293.12427	1.3
297.04150	2.3
299.05542	7.3
317.75650	1.1
329.06516	1.2
339.08795	5.4
353.08664	1.7
381.09552	1.4
389.06323	1.6
397.28171	1.1
403.15982	1.7
407.07639	69.0
408.08145	6.9
425.08725	79.1
426.09198	8.9
443.19272	2.4
451.10303	18.8
452.10580	2.0
559.12238	2.3
577.13422	56.7
578.13818	6.4
599.00415	1.1
738.09650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.5
69.72008	1.3
69.72417	0.6
72.99305	0.4
75.06107	0.4
83.01402	0.5
85.02951	0.4
95.77686	0.4
96.96008	0.5
101.77584	0.4
107.01370	1.9
108.02159	1.0
109.02921	0.6
119.04998	0.4
121.02968	1.4
122.20396	0.3
147.04509	3.8
148.01617	0.8
149.02499	0.4
151.00342	8.2
156.58377	0.4
163.00363	1.3
164.70891	0.4
165.05521	2.8
174.03267	0.4
178.99861	3.5
187.03889	0.4
199.04050	0.4
207.06697	1.0
211.04031	0.5
216.04202	0.5
226.02650	0.5
227.03516	1.4
229.05042	0.5
243.02954	4.9
245.04518	1.0
254.02174	1.2
255.02959	14.7
256.03424	0.7
271.02429	34.2
272.02890	2.9
273.04016	0.7
283.02460	0.4
285.04001	8.1
286.04413	0.8
299.01981	0.7
300.02707	68.6
301.03400	25.6
302.03809	1.6
327.04956	0.4
384.40637	0.4
461.07257	5.1
463.07874	0.4
526.17816	0.4
532.32214	0.3
609.14508	100.0
610.14825	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	855.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	3.0
71.01384	0.4
71.05000	0.3
83.01345	0.3
83.05015	0.6
84.02173	0.4
85.02943	11.7
95.05042	0.3
96.96048	0.2
97.02952	1.5
97.06600	1.4
107.00240	0.2
111.08141	0.2
112.61550	0.2
119.08658	0.9
121.02927	0.5
123.04484	0.2
123.08131	0.4
125.09705	0.8
127.11272	1.2
128.67747	0.2
135.08157	0.4
137.02522	0.3
137.09705	3.6
155.10756	0.7
165.12831	0.3
171.10248	32.0
172.10606	1.3
177.12868	0.3
183.13947	1.0
193.12306	0.5
201.11267	1.7
209.11710	0.5
211.13364	6.3
212.13602	0.3
213.11230	0.2
221.11827	0.8
229.14417	4.5
235.13387	0.2
239.12798	1.1
291.19623	1.7
309.20590	0.4
325.20264	0.9
326.20483	0.7
327.21713	100.0
328.22073	8.2
885.46356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
70.44776	0.8
79.51630	0.2
93.20213	0.3
97.04288	0.2
106.00587	0.2
122.86111	0.2
124.97509	0.2
199.56256	0.3
207.41702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.9
62.22662	0.1
70.84609	0.3
70.86150	0.1
71.01356	0.3
78.04832	0.1
78.95889	0.8
79.95728	3.8
85.59475	0.1
94.92493	0.3
96.92220	0.4
96.95999	100.0
97.95924	0.2
127.96595	0.1
142.14055	0.1
157.34100	0.1
209.11806	0.3
210.12279	0.2
211.02975	0.1
225.11420	0.1
253.59312	0.1
268.50092	0.1
332.00726	0.1
347.92746	0.1
351.06134	0.2
410.76468	0.1
592.98657	0.2
635.25922	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	1.4
59.01376	21.3
61.98549	0.6
61.98819	4.3
67.21985	0.6
68.99806	1.0
69.03452	2.2
71.01376	77.2
71.05021	0.9
72.01733	1.1
72.99291	1.6
73.02945	7.1
79.07841	0.7
79.95754	1.0
80.02664	2.5
81.03470	3.7
83.01370	2.5
83.05012	7.8
84.02129	1.2
85.02950	6.4
87.00873	6.1
87.04492	0.7
88.98808	0.8
89.02436	18.4
93.03447	1.1
95.01351	1.4
95.05007	1.9
95.18637	0.7
96.88791	0.8
96.95999	5.6
97.02950	4.0
97.06582	1.2
99.00861	2.5
101.02438	12.8
107.05066	0.7
107.67001	0.6
109.02965	1.6
109.06572	7.3
110.03741	0.8
111.00894	1.2
113.02427	9.0
119.03471	4.2
119.05049	0.8
121.02922	1.0
123.04460	1.1
125.02421	8.0
125.06071	1.1
125.09709	2.5
127.11256	2.0
135.08151	2.8
137.02448	1.5
139.03987	1.2
139.07632	1.8
141.01846	1.1
142.02715	1.1
143.03456	2.3
145.02953	1.7
149.09686	1.5
155.10764	2.5
161.04536	4.6
161.09650	1.2
163.03978	0.9
163.11256	11.1
165.01917	0.8
165.09090	0.8
165.12807	2.2
167.10725	0.8
171.10248	28.0
172.10622	1.4
179.05608	5.1
179.10757	1.0
181.12317	3.8
185.11806	2.3
191.05545	1.2
191.10675	1.2
197.11861	2.5
201.11290	19.4
207.10234	22.3
208.10567	1.1
209.11800	100.0
210.12178	6.0
215.12836	2.2
221.06607	2.2
225.11279	33.3
226.11589	1.7
227.12831	12.4
235.08121	4.8
243.12354	3.2
251.12822	1.8
253.09279	1.9
263.07913	0.8
284.03305	2.9
284.06488	0.7
285.04050	3.7
287.07794	1.0
305.08786	1.2
379.12479	3.1
397.13458	28.8
398.13998	1.8
415.14606	8.6
416.14828	0.9
417.22726	1.5
439.14658	1.3
551.12042	3.9
551.23450	1.0
605.24799	1.8
606.25293	0.9
607.26172	1.1
623.25714	5.3
631.26862	0.8
658.85406	0.9
797.35321	1.1
815.36639	3.4
833.37592	6.1
851.39600	4.7
852.39948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75251	0.3
59.01371	2.1
63.86979	0.3
65.00323	0.7
67.83648	0.3
68.02076	0.3
69.50449	2.4
69.50795	0.3
71.01374	2.1
71.21849	0.3
73.02954	0.4
75.00869	1.1
85.02928	2.6
87.00864	0.9
89.02417	0.5
95.01360	0.6
96.95999	1.2
99.00875	1.0
99.71829	0.4
102.98658	0.5
107.01371	1.1
111.04370	0.4
113.02431	1.9
121.02948	0.6
133.02921	3.5
149.02408	1.1
151.00354	2.9
156.87584	0.3
171.04454	0.6
175.03914	1.7
177.01978	0.6
197.06064	0.6
199.03947	2.2
201.01793	0.4
204.07751	0.3
213.05571	0.6
217.05048	0.9
241.05034	0.9
243.02881	0.6
284.03244	0.4
285.04004	100.0
286.04367	7.4
288.80017	0.3
305.14124	0.4
327.05075	0.9
329.15933	0.4
357.06152	0.8
381.05838	0.5
385.09900	1.0
461.07184	55.8
462.07544	6.0
462.13696	0.6
527.35907	0.4
669.43201	0.4
845.33679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	11.1
60.98972	0.7
69.58681	5.0
71.01368	9.8
72.99284	1.7
73.02936	0.8
75.00867	5.1
80.85742	0.7
81.62354	0.8
83.54248	0.7
85.02942	21.0
86.03286	0.8
87.00873	3.5
89.02420	1.0
95.01375	6.4
96.96002	3.6
99.00861	8.3
103.00351	2.3
113.02438	37.9
114.02788	0.8
115.00349	1.5
117.01930	2.2
121.02945	16.4
129.01895	1.7
134.03693	1.8
151.00337	1.9
157.01318	0.9
174.04468	0.8
175.02455	14.9
209.37073	0.8
226.06076	0.8
256.03757	4.3
283.04999	1.0
284.03217	73.1
285.03555	7.0
286.03748	0.9
299.05554	100.0
300.05881	10.1
325.09213	2.3
369.19406	2.3
475.08722	66.2
476.09119	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	847.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
63.02388	0.5
65.00318	0.5
66.78181	0.2
71.01375	2.4
71.39493	0.2
72.03020	0.2
72.79734	0.2
72.99309	0.4
75.00858	0.9
78.32834	0.2
83.01368	0.5
85.02941	2.5
87.00876	0.7
89.02477	0.3
95.01376	0.8
99.00880	0.9
102.98592	0.6
103.00353	0.3
105.03448	0.3
107.01371	1.3
109.02952	0.6
111.60030	0.2
113.02431	2.3
114.26733	0.2
115.00306	0.3
117.01971	0.4
117.04358	0.2
121.02938	0.4
129.01917	0.2
133.02934	4.7
134.03270	0.3
147.04498	0.3
149.02409	1.6
151.00351	2.9
171.04500	0.3
171.19402	0.3
175.02579	0.3
175.03990	2.1
185.06023	0.4
197.05975	0.3
198.03137	0.3
199.03963	1.6
201.02002	0.5
211.03960	0.4
213.05437	0.4
215.03458	0.5
217.05025	1.4
229.04971	0.4
241.04959	1.0
243.02931	0.6
257.04492	0.3
267.03085	0.4
284.03265	0.5
285.04001	100.0
286.04361	7.1
299.05573	0.3
319.28973	0.3
327.04965	1.4
355.04608	0.2
357.06039	0.7
369.06256	0.3
381.05890	0.3
461.07178	52.5
462.07544	6.2
632.24792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98802	13.0
69.27668	100.0
85.58392	10.1
92.97867	11.2
98.20591	16.2
110.47826	9.0
116.99593	9.0
165.75122	10.6
187.22607	9.3
197.11797	15.0
277.21692	55.6
309.20761	21.3
513.55432	12.5
841.48450	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
61.98817	1.2
62.16264	0.6
67.01893	1.2
67.12581	0.7
69.85415	3.6
71.01384	1.6
71.14458	0.6
74.15713	0.6
84.59330	0.7
85.02928	0.8
89.02444	1.2
89.19299	0.6
93.03448	3.3
95.01409	0.7
96.96016	3.3
101.02444	0.7
108.02184	0.8
109.02925	4.0
119.04958	0.8
121.02937	5.1
122.03735	13.0
123.00819	1.2
123.04552	1.0
124.01649	0.8
125.02420	1.9
132.02161	0.9
133.02905	1.8
134.03745	1.9
135.04506	2.5
136.01662	8.4
137.02432	23.2
138.03276	0.9
145.02937	2.2
146.03732	1.0
147.04532	1.0
148.01732	0.7
149.01228	1.3
149.02428	23.4
149.06064	1.9
150.03207	74.7
151.00381	5.9
151.04001	21.7
152.01137	1.2
152.04631	0.8
153.01910	0.8
153.05603	0.8
154.91138	0.7
161.02382	1.6
161.06105	0.9
162.03195	1.3
163.04010	2.7
164.01154	2.0
164.04784	7.4
165.01910	96.8
165.05547	72.0
166.02695	15.6
166.05876	3.1
167.03473	2.0
171.10208	1.8
175.03944	1.3
176.01115	0.9
176.04684	0.8
177.01958	2.4
177.05589	3.7
177.06938	0.6
178.02699	1.6
179.03479	20.9
179.05890	0.9
179.07111	9.3
180.04262	55.7
181.05037	32.0
182.05446	1.1
187.04005	1.3
191.03439	1.0
192.04234	1.5
193.05005	1.4
194.05806	5.1
195.06598	100.0
196.06894	4.1
204.04195	0.8
205.05061	3.5
207.06595	2.1
209.08128	5.7
209.11784	6.8
210.05309	9.9
210.12112	3.6
211.06007	1.9
211.12373	1.6
212.12617	0.6
219.06508	1.7
220.07346	2.0
223.06090	0.8
225.07648	43.0
226.07990	1.8
227.12660	1.3
228.13231	0.8
241.00681	0.7
257.38010	0.6
329.10117	0.9
371.11218	1.2
372.12000	0.7
387.10336	1.0
387.14584	2.4
397.13281	1.1
402.13095	1.4
403.13742	1.4
415.13898	0.9
416.14679	2.6
417.15454	14.4
418.15625	1.7
535.15979	1.3
550.18268	1.0
564.19873	2.4
565.20892	15.5
566.21130	2.2
581.20313	0.9
594.20660	2.7
595.21661	16.8
596.22162	2.3
613.22925	5.1
614.23242	0.7
625.22815	1.4
643.23590	3.8
644.24670	0.7
646.44257	0.7
743.27264	10.3
744.27313	2.8
773.27966	1.8
791.29272	3.0
792.28784	1.1
821.29626	1.1
839.30890	3.8
840.31097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.98814	2.2
67.01885	0.7
69.72569	0.4
71.01389	1.8
71.63805	0.9
72.42760	0.4
73.02977	0.4
83.05018	0.7
85.22227	0.4
87.00890	0.6
89.02427	0.9
93.03445	3.1
95.01373	0.6
95.05017	0.6
96.95997	3.2
101.02441	0.6
105.03458	0.6
107.05052	0.6
108.02182	0.7
109.02936	2.1
113.02441	0.5
116.92897	0.4
121.02944	4.0
121.86778	0.4
122.03721	11.5
122.92948	0.4
123.00918	0.8
123.04563	0.9
124.01608	1.0
125.02449	1.1
128.39609	0.5
133.02974	1.3
135.04485	0.7
136.01645	3.8
137.02432	15.2
138.02800	0.4
139.03931	0.4
145.02893	0.5
146.03716	0.7
147.04472	0.4
148.01630	0.5
149.02420	15.8
150.03203	66.5
151.00383	2.5
151.03990	9.6
152.04634	0.7
153.01907	0.5
161.02385	1.0
162.03119	0.6
163.03941	0.7
164.01155	0.8
164.04784	3.4
165.01909	71.9
165.05540	67.0
166.02664	8.4
166.05826	2.9
167.03462	1.3
171.10254	4.2
177.01881	1.2
179.03474	11.4
179.07031	3.9
180.04254	43.7
181.05035	13.9
182.05321	0.4
191.07175	0.4
193.05067	0.6
194.05817	2.3
195.06590	100.0
196.06940	3.9
205.05034	1.4
207.06343	0.8
209.08232	3.9
209.11798	7.0
210.05304	8.0
210.12076	0.8
211.05988	1.2
219.06528	1.0
220.07341	1.0
225.07645	45.6
226.08035	1.9
227.12813	0.8
261.96921	0.5
263.61011	0.5
285.03925	1.2
373.13199	0.5
379.12479	0.6
387.10214	0.6
387.14685	2.9
397.13516	2.4
402.13251	1.0
403.13617	2.0
415.14398	0.8
416.14758	0.5
417.15469	11.0
418.15808	1.2
471.16003	0.4
565.20911	4.7
595.12231	0.5
595.21741	9.8
596.22150	2.1
613.22833	3.0
625.22614	0.8
643.23425	2.7
743.27252	1.3
773.27985	1.0
791.28601	1.7
839.30878	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	837.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
59.98508	0.3
61.98813	0.7
65.03947	0.2
68.45152	0.2
69.03444	2.3
70.84319	0.3
71.01369	1.5
71.62548	0.4
80.02686	0.3
81.03448	0.3
83.05010	0.9
89.02458	1.3
93.03452	0.3
93.07056	0.3
95.05020	0.7
96.96006	3.4
97.02957	0.5
97.06563	0.9
101.02437	1.0
102.66846	0.2
103.86845	0.2
107.08631	0.6
109.06578	0.4
111.08150	0.7
113.02399	0.4
119.04983	0.4
119.08655	5.9
121.02885	0.4
121.06582	0.4
121.10209	0.8
123.08189	0.4
125.09712	1.6
127.11269	0.5
127.76211	0.3
135.08128	0.8
137.09711	11.5
138.10063	0.6
139.07655	0.3
139.11218	0.4
149.09717	0.6
151.11255	1.2
153.09195	0.9
153.12787	0.3
155.10707	0.6
159.11810	0.3
161.04567	0.4
163.11269	0.6
165.09210	0.5
171.10254	21.3
172.10692	0.4
177.12798	3.0
179.10812	0.3
179.14397	0.4
185.11826	1.7
196.63800	0.3
197.11821	1.7
203.14430	0.9
209.11798	0.4
211.13322	1.5
221.11642	0.5
229.19525	1.3
231.17532	0.4
235.08218	0.6
247.20596	0.4
253.09239	5.6
254.09471	0.4
255.17294	0.4
263.19891	0.4
273.18573	6.8
274.18936	0.5
277.21680	25.2
278.22092	1.6
291.19632	11.4
291.22977	0.5
292.20038	0.7
305.17868	0.5
305.21204	7.7
306.21295	0.6
309.20673	2.3
323.22226	100.0
324.22537	8.5
352.25931	0.3
459.75165	0.3
715.33783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73259	0.1
61.98824	100.0
62.98534	0.1
70.27984	0.2
70.28318	0.1
98.20018	0.1
144.94064	0.1
149.66968	0.1
227.80573	0.1
277.21713	0.1
278.22040	0.1
289.89267	0.1
318.93185	0.1
370.63113	0.1
386.42645	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	835.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.4
59.01094	0.4
59.01371	5.5
69.64725	2.3
71.01379	5.9
85.02931	1.3
87.00896	0.5
89.02433	4.2
93.03441	2.3
95.01351	0.5
96.96003	0.7
98.19871	0.7
99.00840	0.4
101.02438	3.1
113.02428	2.6
117.03455	3.1
119.03516	2.0
119.05013	29.7
120.05361	0.7
121.02951	3.3
123.04503	0.6
125.02474	0.3
131.03448	0.3
131.04993	1.3
132.05833	1.8
133.06586	11.9
134.06917	0.3
137.13097	0.4
145.02939	18.9
146.03299	0.7
147.04498	1.4
149.04549	0.4
149.06024	0.5
157.04996	0.6
159.04478	1.0
161.06062	24.4
162.03177	0.8
162.06386	1.1
163.03989	38.1
164.04312	1.5
165.05571	0.6
177.05537	15.0
178.05858	0.7
187.03960	1.1
191.07170	0.5
205.05020	28.5
206.05415	1.5
232.60573	0.4
235.06059	6.1
265.07126	11.4
266.07434	1.1
269.04477	0.4
299.05585	0.9
319.10294	15.3
320.10553	1.1
325.09195	0.5
328.79114	0.3
402.50671	0.3
421.14948	0.3
465.13934	100.0
466.14236	12.1
476.09183	0.8
513.61652	0.3
673.25073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.36
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
71.01373	1.8
71.63168	0.2
73.02948	0.7
81.03480	0.4
83.01364	0.3
83.05032	0.4
83.85011	0.2
85.02949	0.7
87.00851	0.3
89.02428	1.0
93.03423	0.3
96.96026	0.7
101.02410	1.5
113.02452	0.5
117.03451	0.7
119.05005	0.4
120.99648	0.3
121.02904	0.6
123.04564	0.2
125.02420	0.6
133.02928	0.2
137.02426	0.3
139.47552	0.2
145.02951	3.3
147.04523	0.8
148.05287	93.8
149.05609	4.3
161.02480	0.3
161.04683	0.5
163.07629	100.0
164.07939	4.7
165.12885	0.3
177.01907	0.2
191.05635	0.2
203.05556	0.4
209.11806	9.2
210.12112	0.3
227.12851	1.5
289.07425	0.2
291.18045	0.5
367.13937	1.8
379.12643	0.3
397.13535	1.6
415.14468	0.6
423.16437	3.2
423.22321	2.6
598.92181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.5
59.01376	8.8
67.01869	0.1
69.03433	0.4
71.01376	8.2
71.05016	0.1
72.99285	0.6
73.02940	1.0
75.00848	0.3
79.71181	0.1
80.02670	1.3
81.03038	0.1
81.03457	2.2
83.01382	0.9
83.05017	5.3
84.02152	1.1
84.05363	0.2
85.02941	1.7
87.00870	2.0
87.04513	0.1
89.02436	7.2
90.02753	0.2
91.04028	0.1
93.03433	0.4
95.01395	0.5
95.05029	0.6
96.95979	0.2
97.02945	1.1
97.06583	0.3
98.20694	0.3
99.00881	0.6
99.04491	0.2
101.02432	5.8
109.06568	0.3
111.00867	0.2
111.04552	0.2
111.08112	0.1
113.02448	3.1
115.04008	0.2
119.03486	1.7
121.02945	0.2
124.01617	0.1
125.02435	2.7
125.06071	0.5
125.09679	0.2
131.03459	0.4
133.05035	0.2
135.08156	1.0
139.03986	0.2
141.01930	0.2
143.03482	1.1
145.05037	0.1
147.11723	0.2
149.04517	0.2
161.04555	1.6
163.11267	4.5
164.11531	0.2
165.12822	2.8
167.03456	0.2
171.10204	0.6
179.05568	2.0
179.07135	0.1
181.04999	0.1
181.12308	0.7
185.04437	0.2
185.11868	0.2
189.12799	0.1
191.10760	1.3
199.06084	0.3
209.11803	100.0
210.12134	5.7
217.07149	0.4
218.90605	0.1
221.06667	0.8
221.11655	0.1
223.13403	0.3
227.12857	14.6
228.13200	0.9
229.49039	0.1
233.12053	0.1
235.08173	2.1
245.06607	0.2
247.13354	0.6
251.12874	0.4
253.09294	0.4
259.08249	0.2
262.09436	0.1
263.07782	0.2
265.14395	0.3
266.82306	0.1
268.17450	0.1
270.15176	0.1
277.22986	0.1
284.93033	0.1
287.07590	0.9
305.08835	0.8
315.23685	0.1
323.09741	0.5
359.11523	0.1
378.39288	0.1
379.12375	2.6
380.12671	0.2
397.13449	18.4
398.13812	1.5
413.18304	0.1
415.14517	5.2
416.14731	0.4
419.24176	0.2
454.82999	0.1
589.24976	0.4
607.26007	1.3
608.26312	0.2
799.37823	0.6
817.37811	0.3
835.40546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.3
61.98825	1.8
71.01375	1.6
71.29773	0.5
71.30098	0.5
80.23105	0.3
85.02984	0.5
89.02435	1.1
89.96228	0.3
101.02417	1.1
113.02441	1.0
161.04488	0.5
167.58702	0.3
179.05591	0.5
235.08192	1.1
253.09253	4.3
277.21692	100.0
278.22052	8.1
343.42966	0.4
355.65387	0.4
455.20889	0.4
473.85760	0.4
513.30371	0.9
818.78857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.7
61.98821	0.1
69.73185	0.7
70.94516	0.1
71.01382	1.1
73.02911	0.7
83.01376	0.3
85.02940	0.4
87.00848	0.2
89.02441	0.4
93.03441	0.2
96.95999	0.4
98.19835	0.2
101.02425	0.9
102.98586	0.3
113.02445	0.5
117.03462	1.2
119.05017	0.6
120.99652	0.2
121.02924	0.7
122.03775	0.3
122.33566	0.1
125.02428	0.4
125.19390	0.1
145.02939	4.7
146.03239	0.2
147.04546	1.2
148.05286	96.4
149.05609	4.1
161.02415	0.3
161.04506	0.3
163.07628	100.0
164.07939	5.0
191.05504	0.2
203.05589	0.3
209.11803	3.3
227.12793	0.7
247.91446	0.1
262.10663	0.1
289.07129	0.2
291.18146	0.5
309.56775	0.1
357.44846	0.2
367.13855	1.5
368.14063	0.2
397.13260	0.7
415.14536	0.2
423.16476	4.5
423.22260	1.6
424.16748	0.5
424.22385	0.3
515.38501	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.4
59.01374	22.1
61.98824	4.3
69.03423	3.1
71.01377	18.1
71.05016	0.7
71.10320	1.2
72.99303	2.0
73.02947	3.0
78.95908	0.9
80.02670	1.3
81.03461	2.3
83.01387	2.1
83.05008	5.7
84.02160	1.4
85.02937	3.1
85.06571	0.6
86.70770	0.5
87.00864	4.6
89.02435	15.0
93.03441	0.9
95.01382	1.2
95.05040	0.7
96.95989	5.9
96.96495	0.5
97.02941	3.2
99.00874	1.2
101.02435	13.9
101.03082	1.0
109.02970	0.6
109.06594	0.7
111.04549	0.8
113.02432	7.5
119.03510	4.5
121.02948	1.4
125.02425	6.0
125.06070	0.5
125.09717	0.7
127.04017	0.5
131.03493	0.7
141.01765	0.5
143.03474	2.6
149.09637	0.5
161.04579	3.1
161.05783	0.7
161.13254	0.5
163.11243	4.2
165.12785	2.6
167.10724	2.6
171.10236	0.8
177.12772	1.1
179.05614	4.6
179.10753	1.0
179.14371	2.3
181.12354	0.8
191.10768	1.0
195.13867	8.5
203.28087	0.5
205.12311	8.1
206.12700	0.5
209.11801	100.0
210.12140	5.8
211.13396	0.8
221.06654	1.0
223.13365	70.3
224.13684	4.6
227.12843	16.8
228.13124	1.2
235.08173	5.2
241.01100	0.7
253.09297	0.7
255.23352	0.7
261.14972	0.5
287.07755	1.1
305.08881	1.4
314.75455	0.5
323.09756	0.9
327.21835	0.5
373.25839	0.7
379.12430	6.1
397.13467	37.0
398.13873	3.0
415.14572	9.9
416.14648	0.9
589.24890	0.9
603.26343	4.7
604.26483	0.9
607.26093	1.4
621.27600	7.7
622.28137	1.1
795.37866	1.3
813.38794	2.1
814.37341	0.6
831.50671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	1.0
59.01370	3.9
62.46628	0.1
71.01371	1.1
71.63150	0.3
73.02942	0.7
74.99075	0.1
83.01377	0.4
83.58837	0.2
85.02946	0.5
89.02446	0.4
96.96001	0.3
100.60369	0.1
101.02440	1.0
102.98586	5.9
109.02946	1.0
113.02425	0.5
119.03537	0.2
119.05022	0.2
120.99657	0.2
121.02957	0.6
122.03708	0.3
125.02405	0.2
133.06593	0.5
145.02962	1.0
147.04538	0.9
148.05284	96.5
149.05608	4.3
161.04559	0.6
163.00690	0.6
163.07625	100.0
164.07954	5.1
179.05565	0.3
203.05629	0.4
210.51561	0.2
238.87138	0.1
256.29050	0.1
297.92429	0.1
307.08203	0.4
326.14413	0.2
367.13940	1.6
368.14398	0.2
417.11865	0.4
417.24991	0.9
445.09183	0.2
687.19073	0.2
706.22516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
60.07293	1.2
61.98818	5.4
66.21928	1.2
69.41460	11.3
71.01358	1.7
75.00874	2.5
78.95895	12.3
83.86771	1.9
85.28408	1.3
86.46745	1.2
87.00875	1.8
88.98805	3.2
90.84918	1.3
95.01361	1.4
96.96004	1.5
96.96944	2.4
97.06582	2.2
105.55425	1.3
105.75362	1.4
119.08675	8.8
121.10241	10.6
123.08131	2.5
125.02383	1.9
125.09715	10.5
152.99596	4.9
171.10239	20.9
185.11804	21.0
197.11812	6.9
209.11795	2.4
211.13338	4.6
215.08417	1.4
229.19547	5.5
247.20631	6.3
260.80588	1.6
273.18506	8.6
275.20126	6.1
277.21680	3.1
279.23270	100.0
280.23770	7.4
291.19629	97.5
291.22974	3.3
292.19934	7.6
309.20740	5.9
397.13559	3.4
397.76614	1.9
421.05325	1.3
433.23297	1.8
447.41595	1.4
459.25739	1.3
504.30939	40.0
505.31235	4.7
722.95471	1.6
751.53577	1.7
820.89166	1.6
836.83063	1.4
848.91840	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	827.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.6
63.54706	0.5
65.00322	0.8
79.05048	0.6
79.67716	0.6
83.01394	0.7
95.27825	0.6
107.01383	1.7
108.02224	0.8
109.02973	0.8
121.02956	1.6
131.07126	2.7
148.01659	1.2
151.00371	7.3
163.00354	2.1
163.04044	0.6
177.53546	0.6
178.99805	4.8
199.03992	0.8
227.03426	1.7
243.02922	6.3
254.02185	1.5
255.02948	17.8
256.03403	1.3
271.02441	37.2
272.02896	3.2
283.02328	0.8
285.03983	2.8
299.02002	0.6
300.02713	76.1
301.03403	29.3
302.03793	1.6
461.07227	1.6
550.21130	0.6
609.14526	100.0
610.14905	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	825.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48287	18.9
61.98820	48.0
69.65984	100.0
91.13805	22.4
96.95967	20.0
98.52036	20.1
100.82325	17.3
102.33418	27.0
147.28836	19.9
149.27678	22.1
277.21558	44.2
293.21252	57.4
803.30157	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	823.424
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	7.8
61.98833	58.4
81.90469	7.3
87.13763	7.6
96.96018	27.7
116.92825	9.3
120.44978	8.1
171.10297	13.1
197.11809	19.6
204.07431	9.2
207.10333	10.2
209.11826	100.0
211.13382	11.2
225.11246	11.5
227.12907	21.3
253.09370	16.4
284.31418	8.1
291.19623	16.1
296.77127	8.0
309.20621	55.9
342.00507	7.8
349.79034	10.0
445.20795	9.3
525.64081	11.0
545.29437	9.7
750.50232	10.3
823.42645	76.5
824.42944	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	823.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.2
61.06560	2.4
61.98809	5.0
71.01382	26.3
71.62765	2.4
78.95895	3.2
82.95412	25.3
83.05013	3.9
96.95996	8.5
97.02923	2.6
101.02419	2.9
109.06618	4.6
113.06060	3.4
117.78345	2.0
119.92513	2.4
125.09728	4.3
133.02989	3.0
137.09729	2.5
161.04575	2.0
163.11247	8.5
171.10196	10.3
178.65915	2.3
185.11720	5.1
191.14497	3.0
193.47580	2.0
199.09726	10.1
201.11269	4.6
207.10231	14.4
209.11801	100.0
210.12158	3.7
225.11284	16.8
227.12845	18.4
230.33032	2.2
235.08194	4.0
245.19017	5.3
253.09229	13.2
277.21701	21.0
289.18036	27.1
307.19086	24.4
330.21930	2.4
346.82901	2.4
353.55865	2.1
435.18387	3.4
445.20508	4.2
461.19931	4.3
502.29440	11.7
503.92517	2.6
572.24316	2.6
627.30334	4.4
653.29730	6.1
671.32715	6.2
823.38757	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	821.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.1
70.94605	0.3
75.27627	0.1
78.95895	0.8
79.95728	3.8
80.96499	0.2
83.33386	0.1
93.09519	0.1
94.08105	0.1
94.92493	0.2
94.98066	0.2
96.96001	100.0
97.95946	0.3
98.19985	0.1
101.02421	0.1
110.96682	0.1
175.99963	0.1
209.11766	0.2
209.31310	0.1
253.09303	0.3
277.21777	0.2
291.19635	0.1
293.21130	0.7
309.20673	0.3
603.39374	0.1
821.41504	0.3
841.67657	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11304	0.1
61.98823	100.0
78.95904	0.1
86.29176	0.1
89.02450	0.1
96.95990	0.2
104.39046	0.1
109.88928	0.1
122.44231	0.1
129.90292	0.1
137.02412	0.1
156.53397	0.1
170.11687	0.1
171.10341	0.1
197.11839	0.1
209.11801	0.5
210.12242	0.2
211.13457	0.1
299.93954	0.1
309.20807	0.2
359.28070	0.1
417.24789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98533	0.1
62.99272	0.1
70.52268	0.1
70.52631	0.2
71.01389	0.1
71.36466	0.1
79.95735	0.1
80.96500	0.5
96.95982	0.1
98.19925	0.1
121.11435	0.1
130.98369	0.1
177.41385	0.1
183.05070	0.1
191.27176	0.1
209.11888	0.3
210.12238	0.2
225.00719	0.2
277.21790	0.3
278.22150	0.2
279.22964	0.1
302.12164	0.1
543.70593	0.1
612.06177	0.1
711.19080	0.1
819.42383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
58.00593	1.0
59.01375	18.0
61.98833	2.7
63.46557	0.4
69.03449	2.0
69.30310	3.6
71.01379	15.9
72.99290	1.1
73.02927	2.0
80.02679	1.4
81.03456	2.5
83.01373	2.2
83.05024	5.3
84.02166	0.7
84.77760	0.4
85.02961	3.4
87.00871	3.7
88.98811	0.5
89.02436	14.3
93.03481	1.0
95.01376	1.3
96.96004	4.9
97.02941	2.6
99.00861	1.3
101.02435	11.6
107.04939	0.7
109.02932	0.7
109.06575	0.9
111.04515	0.9
113.02440	6.8
116.92876	0.5
119.03501	3.3
123.04550	0.7
125.02436	6.7
131.03465	0.8
135.08133	1.2
139.03925	0.6
143.03467	2.7
147.11783	0.5
155.10835	0.6
161.04553	3.7
161.05762	0.7
163.11314	4.3
165.12842	2.8
167.03430	0.6
171.10239	1.1
179.05571	3.7
181.05191	0.6
181.12363	0.7
183.13881	5.8
191.10799	0.7
193.12321	1.7
199.13286	0.6
207.10323	0.7
209.11807	100.0
210.12149	5.0
211.13368	87.5
212.13686	5.8
217.07103	1.0
221.06651	1.7
227.12877	15.9
228.13071	0.8
235.08215	5.3
245.06638	0.6
249.15016	0.8
251.13005	0.6
253.09254	0.9
287.07620	1.3
305.08725	1.9
305.17303	0.5
323.09814	1.1
336.45880	0.5
379.12387	6.5
397.13474	39.5
398.13922	3.2
403.24945	0.5
415.14548	9.1
477.28995	0.6
589.24677	1.1
591.26544	2.2
607.26111	1.6
609.27393	4.0
610.28473	0.8
783.38391	1.0
801.38922	0.8
819.39484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01711	0.6
61.86523	0.4
61.98825	36.5
63.22632	0.4
71.01370	3.2
80.96481	0.4
85.02957	0.8
87.00893	0.5
89.02447	2.3
96.99308	1.1
97.02981	0.6
101.02423	1.8
101.15240	0.4
113.02431	1.0
119.03522	0.7
125.02428	1.3
141.01685	53.3
142.01958	0.9
197.11725	2.7
203.46013	0.4
209.11766	0.6
211.13187	0.4
235.08163	1.1
243.04996	0.6
277.21667	5.4
278.21930	0.7
309.20416	0.6
351.43372	0.4
359.22043	4.5
360.22476	0.6
397.13470	10.2
398.13638	0.9
415.14401	1.6
419.11612	2.6
437.12689	4.0
473.32516	0.4
557.73578	0.5
675.35883	0.6
697.33521	2.7
698.33905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.76263	0.1
61.98823	100.0
62.98523	0.2
64.58917	0.1
71.01403	0.2
71.09997	0.2
71.10323	0.2
73.83011	0.1
95.13667	0.1
96.96046	0.2
99.98465	0.1
120.52128	0.1
149.12581	0.1
183.46410	0.1
209.11850	0.5
210.12219	0.2
253.09344	0.2
267.94864	0.1
357.26569	0.2
363.64380	0.1
395.97153	0.1
417.25085	0.3
518.87622	0.1
616.78723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	6.0
67.28048	3.4
71.01385	10.2
78.98562	8.5
79.95741	14.1
80.96513	91.3
85.02962	5.9
87.00869	4.6
94.98086	20.5
108.06645	3.8
125.02399	4.3
134.97574	5.6
148.99141	10.4
152.98581	8.3
164.98621	15.3
174.57126	4.4
195.67390	3.6
206.97186	3.5
211.04337	3.6
223.71109	3.6
225.00735	14.9
264.41690	4.2
269.04965	4.7
467.00574	4.2
468.59006	3.8
681.13831	5.2
741.66748	4.2
815.49695	100.0
816.50244	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	816.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
60.54506	0.1
61.98824	100.0
62.98532	0.2
62.99254	0.2
64.60203	0.1
68.95629	0.1
69.82352	0.8
80.96503	0.2
82.12358	0.1
89.02435	0.2
92.23921	0.1
96.89522	0.1
96.96022	0.3
102.07048	0.2
114.03535	0.1
116.92815	0.2
171.10345	0.1
181.49467	0.2
209.11888	0.4
210.12219	0.3
221.61847	0.2
289.18149	0.2
308.19357	0.2
309.20554	0.2
426.67197	0.2
527.96191	0.2
546.23792	0.2
555.81940	0.1
583.78247	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	70.2
59.52430	0.4
61.98823	100.0
62.98534	0.7
63.99233	0.6
69.03439	0.5
71.01379	1.7
71.04614	0.4
71.62566	0.8
79.56816	0.4
80.96498	1.5
89.02438	1.0
96.99300	4.2
97.02935	0.9
101.02431	1.8
113.02406	0.6
125.02432	0.9
129.97868	0.4
141.01686	35.9
142.01996	1.0
142.05060	1.1
197.11726	0.5
209.11781	0.9
235.07907	0.5
243.04678	0.5
277.21735	3.4
282.88104	0.5
359.21823	2.2
397.13440	7.4
398.13577	0.5
415.14218	1.6
419.11603	2.2
437.12726	2.6
528.16278	0.5
546.50616	0.5
675.35291	0.8
697.33032	2.2
754.10065	0.5
817.50043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
61.98827	0.6
71.01369	3.4
73.02915	0.9
78.95891	2.0
80.02673	0.8
80.96510	1.7
81.03467	0.8
83.01413	0.6
83.05016	3.5
84.02148	0.4
85.02953	0.6
87.00849	0.5
89.02436	1.7
90.84248	0.3
94.98094	0.4
95.05009	0.3
96.96945	0.6
97.10088	0.4
101.02421	2.5
109.61800	0.3
113.02433	1.3
119.03463	0.6
124.97186	0.4
161.04578	0.9
163.11247	2.9
165.12784	1.7
171.10204	0.6
179.05576	0.5
191.10774	0.8
209.11795	100.0
210.12134	5.4
225.00717	0.4
227.12859	12.9
228.13139	0.6
229.18120	0.4
235.08153	2.7
240.31374	0.3
241.01187	0.9
253.09259	7.0
255.23207	1.1
277.21671	64.8
278.22028	5.9
445.20688	3.1
513.30524	0.9
725.38660	0.7
797.40704	1.2
815.49005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01369	5.3
61.98820	2.7
69.03436	1.1
71.01372	3.9
73.02913	1.0
80.02647	1.0
81.03454	2.5
83.01379	1.4
83.05018	4.4
84.02155	0.7
85.02940	0.8
87.00867	1.0
89.02438	2.8
95.05036	1.2
96.96011	2.6
97.02942	1.4
97.06581	2.6
98.20605	2.2
101.02419	3.8
109.06589	1.9
111.21185	0.7
113.02467	1.7
119.03465	0.8
123.04475	1.3
123.08168	1.1
125.06099	0.7
125.09734	3.2
135.08139	1.6
137.09758	1.7
161.04565	1.7
163.11270	7.2
165.12816	3.1
171.10228	1.0
179.10803	0.8
181.12280	1.5
185.11818	2.9
185.48514	0.7
191.10780	1.1
191.14384	4.4
197.11821	1.2
207.10197	5.6
209.11810	100.0
210.12184	6.3
211.13368	2.2
225.11278	2.7
227.12860	13.4
235.08180	2.0
237.11401	1.1
245.19041	5.7
253.09285	11.8
263.20178	2.2
271.17026	1.5
289.18073	35.1
290.18408	2.9
291.19659	1.3
307.19107	31.2
308.19464	2.4
309.20627	2.0
401.23322	0.8
412.44312	0.7
445.20496	1.4
543.28131	1.7
545.74048	0.8
637.32574	1.9
735.39349	1.5
753.40582	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	815.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.3
61.98821	14.4
69.95556	4.0
71.01367	6.0
80.02681	1.7
80.96522	5.3
83.05006	3.5
89.02437	3.2
94.98063	1.6
96.96004	3.4
101.02428	3.9
111.08146	5.8
111.84129	1.1
113.02415	2.9
119.03519	1.5
125.57994	1.0
137.09718	1.0
143.03311	1.0
153.09169	1.8
161.04494	1.9
163.11270	3.8
164.11615	1.3
165.12836	2.7
165.38499	0.9
169.12302	1.6
171.10252	1.8
197.11806	28.1
198.12111	1.5
199.13377	2.5
209.11797	100.0
210.12131	5.2
211.13310	6.7
227.12875	13.4
235.08212	3.6
236.81172	1.0
247.20326	1.2
248.44167	1.0
253.09271	15.0
263.20184	2.3
276.85822	1.2
277.63910	1.4
291.19620	14.0
292.19949	1.3
309.20694	43.5
310.21011	3.5
445.20749	2.7
517.38763	1.0
545.29437	2.5
815.50177	5.2
816.51147	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.6
58.00583	1.9
59.01379	20.0
61.68578	1.0
61.98816	2.9
66.87922	1.0
69.03466	3.0
69.54406	7.6
69.54821	2.3
71.01376	14.5
72.99281	2.6
73.02943	1.2
82.03362	1.4
85.01028	10.6
85.02919	5.2
87.00842	1.5
89.02441	10.1
95.05014	7.2
96.96021	8.2
98.20670	1.4
101.02448	9.3
109.06580	1.7
111.08112	1.6
113.02437	9.3
119.03475	3.7
121.02944	1.4
125.02390	4.5
127.07619	4.6
137.02351	1.5
137.06030	3.9
139.02069	1.3
139.03979	1.9
139.11264	2.4
145.03043	2.3
155.07146	6.2
157.04997	4.2
165.05519	1.4
167.36198	1.3
177.01930	1.4
180.04282	1.4
183.10260	7.5
185.55171	1.3
195.06535	1.7
196.95734	1.1
197.11786	3.6
201.02699	1.4
225.11249	5.6
281.20114	1.4
319.10199	2.6
345.09940	7.6
511.19931	2.4
569.49908	1.5
607.88623	1.4
611.74414	1.3
714.32990	2.0
784.13184	1.3
813.29828	100.0
814.30334	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81030	22.5
62.31381	24.3
70.16375	100.0
74.88951	23.4
96.20819	23.9
98.20589	31.4
109.74211	25.8
126.39904	25.7
277.21652	56.8
403.28830	24.9
488.55960	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01381	0.7
61.98828	0.8
69.46820	1.9
69.47239	0.9
71.01373	0.7
75.66208	0.3
85.02937	0.4
93.03448	5.6
95.01415	0.8
95.05084	0.4
96.96001	3.9
98.02675	0.4
105.03453	0.4
108.02126	1.0
109.02964	1.6
111.04539	0.6
117.03480	0.7
119.04986	0.5
120.99658	0.5
121.02941	8.0
122.03732	16.3
123.00871	0.6
123.04494	1.7
124.01636	1.5
125.02425	1.4
132.02179	1.0
133.02939	3.1
134.03745	2.6
135.04485	1.3
136.01648	10.3
137.02437	3.3
138.03256	0.5
139.04004	1.2
139.21011	0.4
145.02937	3.5
146.03703	2.7
147.04471	2.0
148.01692	0.6
149.02429	31.6
149.06027	3.3
150.03210	100.0
151.04001	31.5
152.04420	1.2
153.05547	0.8
157.53310	0.4
159.04459	0.5
160.05275	0.7
161.02444	1.5
161.06099	1.5
162.03194	2.7
163.03964	1.7
164.04794	7.2
165.01880	1.4
165.05548	86.6
166.05888	4.4
167.03511	0.7
168.04211	1.0
174.03227	0.6
175.03957	2.6
176.04718	0.7
177.01878	0.6
177.05560	4.0
179.03479	1.5
179.07133	7.3
180.04266	7.8
181.04962	0.9
188.04755	1.0
189.05579	1.3
190.06308	3.0
191.03522	2.0
191.05498	0.9
191.07089	1.9
192.04236	1.0
193.05009	1.7
194.05804	3.1
195.06596	42.2
196.06932	1.9
203.07152	0.5
205.05339	0.5
205.08707	2.8
206.05759	1.3
207.06596	3.9
208.07327	1.8
209.08133	0.4
221.08051	0.7
222.08926	0.6
243.50293	0.4
359.14975	1.1
373.12738	1.9
374.13397	0.9
375.14474	0.7
387.14352	0.7
388.15363	0.6
389.11533	0.7
389.16046	10.7
390.16309	2.0
403.13803	0.5
418.16342	0.5
419.16879	0.5
449.14273	0.5
492.17859	0.8
523.19708	0.5
536.20251	0.6
537.21411	9.2
538.21460	0.9
552.20026	0.5
565.19861	0.5
566.21021	0.9
567.22284	13.1
568.22498	2.2
585.23383	3.8
586.23804	0.8
597.23499	1.9
613.22705	1.2
614.23840	2.0
615.24414	4.1
616.24609	0.9
621.22900	1.0
669.25092	1.3
715.27545	8.0
716.27087	2.0
745.28430	4.3
746.29193	0.9
763.29565	4.5
764.28821	1.0
775.28778	1.2
793.30365	1.4
811.31561	3.2
812.30890	0.9
817.23346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17818	2.5
57.24553	2.1
59.01362	7.5
61.98826	36.5
62.27520	2.3
69.54873	17.5
71.01363	7.8
71.50068	2.5
73.02953	2.8
77.12698	2.5
79.95676	3.2
82.80830	2.2
83.04977	3.2
85.02938	5.1
85.37075	2.4
87.00871	3.0
88.98806	2.9
92.26254	2.9
96.96006	30.3
99.92486	2.6
101.02414	5.2
109.02962	3.9
112.98497	3.0
113.02429	3.0
116.92858	4.1
117.17755	2.4
123.04446	2.5
124.01579	2.4
125.02400	6.7
137.02443	3.3
137.09727	3.3
145.02908	3.0
151.03986	3.2
171.10225	11.1
209.11792	100.0
210.12201	2.9
211.13373	5.7
227.12837	23.9
229.14316	3.4
235.08168	19.9
253.09268	31.9
277.07034	2.8
309.20663	13.7
327.21716	77.4
328.22076	5.3
399.42596	2.8
445.20844	11.4
519.33337	5.9
545.29620	10.4
563.30713	13.6
607.74683	2.9
755.41870	7.2
809.40668	47.4
810.40607	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	809.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
61.98824	1.0
63.87247	0.3
66.15790	0.3
69.59897	1.5
69.60323	0.6
71.01385	0.4
79.23000	0.3
93.03437	4.0
94.81672	0.3
96.96029	0.5
108.02173	0.3
109.02948	1.0
121.02950	6.2
122.03726	14.5
123.00892	0.6
123.04453	1.2
124.01674	0.5
125.02461	0.9
130.70224	0.3
133.02927	1.5
134.03717	1.0
134.36571	0.4
135.04550	0.6
136.01659	1.8
137.02451	1.5
146.03741	0.9
149.02420	19.6
150.03201	100.0
151.00287	0.9
151.03732	4.3
152.01147	0.4
152.04668	0.4
161.06108	0.4
162.03148	0.6
163.04018	0.5
164.04778	3.8
165.05540	99.1
166.02698	3.2
166.05873	3.6
167.03325	0.3
169.86703	0.3
177.01813	0.7
177.05598	0.9
179.07095	3.9
180.04263	6.4
181.05026	5.6
187.04156	0.3
193.04918	0.5
195.06589	81.4
196.06914	4.1
205.04999	0.7
209.11731	1.2
219.06621	0.8
220.07280	0.7
247.58472	0.3
281.14014	0.4
387.14746	1.8
417.15448	8.1
418.15961	0.9
565.20770	3.3
566.20685	0.8
595.21570	1.2
613.22687	3.3
614.22534	0.5
704.49091	0.4
761.26282	0.4
791.28339	0.4
809.30609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35729	0.2
61.98824	0.3
67.50127	0.2
69.29072	1.2
69.29496	1.1
71.01347	0.2
90.42583	0.2
93.03446	4.2
94.03780	0.3
95.01403	0.5
95.05006	0.4
96.96007	0.8
99.27827	0.2
105.03488	0.5
108.02135	0.5
109.02955	1.4
121.02950	5.4
122.03728	15.8
123.00861	0.4
123.04526	0.8
124.01675	0.5
133.02943	1.9
134.03737	1.2
135.04510	0.9
136.01640	4.3
136.26137	0.2
137.02434	2.9
145.02945	0.3
146.03722	1.2
147.04488	0.4
149.02428	20.7
149.06075	0.9
150.03207	100.0
151.00345	1.7
151.03989	8.5
152.01205	0.4
152.04643	0.9
153.01865	0.4
154.00586	0.3
154.02733	0.3
161.02454	0.4
162.03203	0.4
163.04004	0.3
164.04770	4.4
165.05548	97.2
166.02707	3.8
166.05867	4.6
167.03508	0.6
177.01921	0.5
177.05537	0.9
179.03445	0.6
179.05667	0.4
179.07114	5.5
180.04260	6.7
180.07350	0.4
181.05049	6.9
183.47896	0.2
187.04013	0.5
190.06387	0.3
191.03575	0.4
192.04218	0.2
193.05136	0.5
195.06599	68.9
196.06961	3.0
205.05093	1.1
207.06563	0.4
211.85963	0.2
219.06563	0.8
220.07291	0.7
225.07745	0.8
227.64941	0.3
242.52231	0.2
254.39587	0.3
329.10132	0.5
332.52737	0.3
357.09555	0.4
357.13373	0.5
372.11957	0.4
373.12723	0.8
386.13840	0.3
387.10406	0.6
387.14438	2.9
402.12930	0.5
403.13947	0.4
417.15448	7.6
418.15878	0.9
535.19537	0.4
550.18835	0.3
564.20435	0.4
565.20685	11.3
566.21069	1.9
595.21570	1.5
612.21881	0.2
613.22821	3.5
614.22925	0.6
619.21649	0.4
667.23480	0.7
713.25867	0.9
714.26166	0.4
743.26868	1.4
744.25806	0.3
761.28278	1.2
773.29987	0.4
791.29285	0.5
809.30414	1.8
810.30701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71393	0.3
61.98833	0.6
65.63334	0.3
67.18322	0.3
69.35426	3.1
77.03957	0.6
83.21847	0.3
93.03444	5.2
95.01404	0.7
95.05032	0.8
96.96004	1.0
105.03482	0.5
108.02162	1.0
109.02971	1.8
121.02942	7.8
122.03734	17.1
123.00860	0.4
123.04540	1.1
124.01608	0.4
125.02410	0.5
129.58157	0.3
132.02136	1.0
133.02933	2.5
134.03725	3.1
135.04602	0.8
135.62509	0.3
136.01643	6.6
137.02446	4.6
137.06122	0.3
145.02937	1.0
146.03716	2.0
147.04518	1.2
149.02428	28.2
149.06075	2.6
150.03210	100.0
151.00421	1.7
151.04005	16.9
152.01074	0.7
152.04729	1.7
153.01909	0.5
161.02399	0.8
161.06068	0.9
162.03241	1.2
163.03972	0.9
164.04753	6.9
165.05548	91.0
166.02719	5.9
166.05875	4.3
167.03545	1.0
173.99269	0.3
175.04008	1.1
176.04622	0.4
177.01839	0.6
177.05566	2.1
178.02773	0.6
179.03543	1.0
179.07121	7.4
180.04266	6.8
181.05032	7.6
182.05286	0.4
187.03984	1.1
190.06332	0.5
192.04391	0.7
193.05087	0.8
195.06601	48.7
196.06978	2.2
202.06308	0.4
203.03513	0.4
204.04053	0.4
205.05028	2.2
206.05627	0.4
207.06618	0.6
209.56915	0.3
219.06654	1.2
220.07425	1.6
221.08153	0.5
269.04251	0.3
282.05490	0.5
329.10385	0.9
341.10333	0.4
371.11105	0.6
372.12354	0.4
373.25830	1.7
386.13730	0.4
387.14771	2.1
402.13168	0.7
416.14563	1.1
417.15427	8.7
418.15579	0.9
456.39725	0.3
535.15491	0.7
550.18683	0.6
551.19025	0.4
564.20081	1.5
565.20703	18.3
566.21021	4.1
595.21631	2.6
596.22217	0.6
613.22675	4.5
614.23248	1.1
619.21008	1.5
649.22308	0.4
667.23560	0.7
713.25891	8.2
714.26459	2.1
743.26825	3.5
744.27185	0.9
761.28119	2.5
762.28815	0.7
773.27582	0.6
791.28784	1.0
809.29999	2.4
810.30518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.3
59.39607	1.6
61.98824	2.8
71.01365	4.0
71.62554	2.2
74.99042	1.9
80.05054	24.2
83.89861	1.6
85.02943	2.4
85.20044	1.7
89.02420	1.9
94.06613	6.1
96.96000	14.5
97.33069	1.8
104.05041	5.1
106.06609	35.3
108.04516	5.5
108.08175	19.6
112.79500	1.9
113.02474	1.7
120.04583	8.3
122.06107	35.2
123.04493	2.4
124.07670	25.3
125.02397	6.1
132.04544	54.7
132.08165	5.6
133.04933	2.1
134.06108	19.5
134.09792	8.2
136.03989	5.4
137.02402	2.7
138.05544	2.4
145.02907	2.3
146.06052	4.3
148.04033	76.1
148.07635	2.7
150.05557	18.9
152.07162	34.7
164.03502	4.2
165.01891	3.9
165.04214	3.9
166.05061	9.2
167.03377	1.9
168.06706	9.4
174.05580	2.3
176.03435	3.8
177.01926	2.4
178.05034	3.7
183.09285	11.9
191.05515	4.4
194.04538	3.5
197.10982	1.7
197.45381	1.6
199.12364	10.3
209.03310	2.7
209.07262	2.8
210.07899	3.2
211.08698	13.8
212.10826	5.0
213.06836	2.0
213.10335	19.1
215.11911	11.4
223.08725	2.3
224.09546	21.0
225.07881	2.5
225.10274	30.3
226.10942	4.0
227.11827	5.2
229.09772	4.2
231.11296	13.3
237.10194	4.2
238.10835	2.9
239.08282	2.8
239.11841	24.3
240.08961	5.5
241.09789	3.4
241.13408	11.7
243.11296	13.1
255.02908	2.6
255.11339	29.7
256.11526	3.2
257.09183	2.9
257.12964	3.9
265.09973	1.9
267.11426	10.5
273.12415	47.6
274.12671	3.0
283.10837	15.9
285.12372	27.1
286.12375	2.1
291.13489	2.3
301.11896	10.3
311.10303	6.6
317.11353	3.5
327.09836	30.6
328.10254	5.0
329.11374	48.0
330.11978	3.1
345.10895	6.2
371.08286	2.9
371.12390	7.8
410.17184	7.0
434.16953	5.0
452.18195	20.6
460.15253	3.9
461.10690	3.6
478.15396	3.9
491.16568	6.9
496.17096	2.5
522.15009	15.6
523.15509	3.0
564.55743	1.8
567.22308	6.2
585.23547	16.8
587.21295	14.5
603.24274	5.7
611.21265	11.5
629.22510	66.6
630.22986	10.6
647.23505	81.6
648.23907	15.0
671.22821	2.6
684.19727	2.6
689.23627	2.4
727.80603	2.0
749.26685	6.0
750.26917	2.0
765.30255	3.1
791.27643	23.4
792.27777	5.8
803.05835	2.2
809.28705	100.0
810.29034	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	807.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.3
69.03458	2.4
71.01376	12.9
71.62648	0.6
73.02528	1.0
73.02943	21.0
75.00859	0.6
83.00891	0.8
83.01382	12.2
85.02959	2.2
87.00848	0.5
87.04494	1.0
88.65154	0.5
89.02437	4.3
93.03472	0.6
95.01408	0.6
95.05021	1.2
96.70879	0.5
96.95989	1.1
97.02963	0.5
99.00827	0.8
99.04511	1.0
101.02435	20.0
109.02970	0.5
113.02436	9.4
113.03205	0.6
114.02827	0.5
115.04027	0.5
117.05568	34.8
118.05900	1.0
119.03474	1.4
123.04524	0.7
125.02439	0.9
131.03517	2.2
134.90213	0.4
137.02499	0.5
141.05589	0.8
143.03587	0.6
151.04022	0.6
159.06619	7.8
161.04532	0.9
177.09189	0.6
179.07172	0.5
189.07649	2.2
191.05539	0.9
207.10213	1.4
207.17305	0.5
219.08609	0.9
219.10469	0.6
319.10147	0.7
387.16544	17.1
388.17059	2.3
389.16931	0.6
419.15527	100.0
420.15842	9.9
625.02960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01366	0.5
61.98816	1.0
71.01398	0.4
71.62878	0.3
78.95894	0.3
83.05047	0.2
83.34099	0.2
93.07086	0.9
95.04967	0.2
97.06583	1.4
121.10232	8.2
122.10545	0.3
123.08164	1.0
125.09713	5.5
126.10033	0.3
141.12874	0.8
147.08084	0.4
163.11360	0.3
164.66942	0.3
185.11815	10.8
186.12149	0.5
193.15974	0.2
197.11810	3.0
209.11859	1.5
211.13348	1.7
223.13351	0.7
231.70395	0.3
232.09036	0.3
247.13428	0.6
247.20726	0.8
253.09274	1.0
273.18628	1.0
277.21701	5.4
278.22116	0.5
289.18100	0.3
291.19626	100.0
292.19943	9.1
299.87494	0.3
309.55783	0.3
654.34094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
58.00583	0.6
59.01096	0.7
59.01377	11.2
59.36228	0.3
61.98816	1.8
69.03446	1.2
71.01376	9.3
72.99319	0.9
73.02931	1.7
75.00836	0.4
78.91877	0.6
81.03477	0.5
82.03246	0.4
83.01370	1.3
85.02963	2.5
87.00869	2.4
88.98786	0.4
89.02436	8.2
92.89552	0.4
95.01386	0.8
95.82333	0.4
96.96003	5.8
97.02945	1.1
98.20605	1.1
99.00841	0.8
101.02437	7.1
107.01395	0.5
109.02940	0.6
111.04514	0.8
113.02442	4.9
116.97202	0.4
119.03467	2.3
121.02934	0.8
125.02441	3.9
131.03493	0.6
135.04489	0.4
143.03455	1.5
161.04532	1.4
167.14354	0.9
171.10242	0.8
179.05621	2.5
183.13850	7.4
184.14291	0.5
193.12314	2.4
199.06108	0.4
209.11795	1.4
211.13368	100.0
212.13705	6.2
221.06635	0.8
225.11220	0.5
225.14949	0.4
230.76176	0.4
235.08244	2.0
253.09409	0.7
253.14389	0.4
287.07831	0.6
305.08734	0.8
375.88757	0.4
379.12317	3.4
397.13458	20.2
398.13849	1.4
411.20456	0.5
415.14584	4.9
430.60254	0.4
591.26520	4.6
592.27112	0.8
609.27637	6.1
610.27899	1.0
785.39752	1.1
803.42065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98824	100.0
71.01421	0.1
71.32285	0.1
98.19863	0.3
211.13483	0.5
212.13748	0.3
277.21716	0.7
278.22040	0.2
571.30603	0.1
648.62842	0.1
748.05225	0.1
813.32397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
61.98825	0.7
68.22391	0.1
69.96535	0.3
71.01377	0.1
73.39338	0.1
78.95895	1.0
79.95731	3.6
89.02464	0.1
95.97564	0.1
96.96001	100.0
97.95934	0.4
98.20591	0.1
102.26435	0.1
121.03011	0.1
125.02421	0.1
127.31081	0.1
133.02972	0.1
145.02963	0.1
181.16016	0.1
209.11800	0.2
225.14835	0.1
242.17577	0.6
243.17874	0.2
284.03265	0.2
285.03995	0.9
286.04367	0.1
569.96552	0.1
803.34430	0.4
804.36554	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	802.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98541	0.2
63.27623	0.2
64.08686	0.2
69.74842	0.5
69.75229	0.4
79.95727	0.3
80.96511	0.6
96.96021	0.5
122.24435	0.2
123.24699	0.2
123.31044	0.1
125.08503	0.2
148.82228	0.2
209.11833	0.3
225.11426	0.2
247.09578	0.2
272.15472	0.2
277.21869	0.2
477.69351	0.2
803.39099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30547	0.2
61.98822	100.0
71.01363	0.2
71.16884	0.3
79.28321	0.2
79.43573	0.2
79.74065	0.2
80.96510	0.2
105.04559	0.2
125.02468	0.3
126.01969	0.2
126.90395	2.5
127.00333	0.2
181.17702	0.2
802.37933	0.3
803.38519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99625	0.2
59.01375	2.6
71.01369	0.4
71.07700	0.2
71.08025	0.2
73.02958	0.4
82.53883	0.1
93.03464	0.4
96.96015	0.4
101.02432	0.3
102.98595	1.6
109.00695	0.2
119.05080	0.2
120.99602	0.2
121.02941	4.7
122.03731	0.5
123.04514	2.4
133.06566	0.2
147.04527	1.4
148.05289	100.0
149.05612	4.4
163.07629	95.8
164.07945	4.7
203.05615	0.2
367.13828	1.0
436.59515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38195	0.2
57.53491	0.2
59.01380	0.1
61.98825	100.0
62.98505	0.1
71.19540	0.3
73.95132	0.1
74.11001	0.1
78.95928	0.2
80.96513	0.5
83.76993	0.1
86.58197	0.2
96.96020	0.3
103.41858	0.1
207.10208	0.2
209.11842	0.3
221.61511	0.1
234.33336	0.1
277.21744	0.2
298.78241	0.2
803.39447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.4
61.98824	1.8
65.61901	0.5
69.03446	0.5
71.01376	3.2
71.57925	0.7
73.02929	0.9
78.95889	0.7
78.98566	0.8
79.95725	1.7
80.96510	7.3
85.02953	1.3
87.00877	0.9
89.02433	1.4
93.30983	0.4
94.98076	1.4
96.95942	0.6
101.02442	1.4
113.02428	1.2
119.03471	0.4
134.97462	0.4
152.98561	0.9
161.04572	0.5
164.98608	1.8
167.14450	0.5
171.10144	0.4
181.12285	0.5
183.13884	6.5
191.30672	0.5
193.12257	1.4
195.56020	0.4
209.11742	0.7
211.13359	100.0
212.13745	5.4
216.48457	0.4
225.00760	2.8
235.08188	1.4
245.22919	0.5
253.09270	5.0
255.23453	0.5
277.21680	52.4
278.22006	4.8
279.07782	0.4
293.24908	0.7
381.31805	0.5
383.18475	0.4
429.21204	1.9
447.22314	11.5
448.22574	1.5
457.49570	0.6
513.30597	0.7
560.24426	0.5
707.43701	1.8
709.38324	5.1
710.38696	1.0
781.40326	1.3
782.40948	0.7
799.41138	3.9
800.41083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.3
61.98815	3.0
68.17935	1.8
71.01374	31.8
73.02948	2.4
77.36366	1.6
82.43703	1.8
89.02438	6.1
96.22227	1.4
98.20682	3.0
99.00858	3.8
101.02409	5.6
109.06577	5.5
113.02466	3.2
125.09709	3.5
127.11233	5.0
135.04471	2.1
155.10721	2.4
161.02464	4.0
161.04514	2.8
163.11261	6.0
170.86499	1.9
171.10260	51.6
172.10655	2.7
179.05556	2.6
181.08624	2.4
181.12286	2.8
199.09752	28.5
199.13400	4.6
201.11322	47.1
207.10207	24.4
223.09724	2.7
225.11276	32.6
226.11569	3.9
235.08128	4.1
243.12267	4.7
253.09218	16.4
277.21692	100.0
278.22046	11.5
359.73618	2.0
407.18994	2.8
435.18579	10.6
436.18411	2.6
443.19284	3.2
461.20334	12.7
479.21332	3.0
513.30835	2.5
695.39905	11.2
696.41248	2.5
719.39667	2.1
721.41278	13.1
722.41406	2.6
739.42603	7.9
740.42706	2.4
757.43768	21.0
758.43573	3.3
793.51001	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	799.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.3
61.98826	6.0
67.27721	0.7
67.41725	0.7
70.12754	3.6
71.01376	2.7
78.05218	0.9
81.03475	1.2
83.05022	5.4
86.93835	0.8
89.02422	1.6
96.95984	1.3
101.02441	2.1
128.12666	1.0
161.04512	1.5
163.11244	2.9
165.12811	1.8
171.10213	2.7
183.13898	1.4
195.13879	2.3
209.11810	100.0
210.12137	6.5
211.13324	1.9
223.13330	1.3
227.12881	10.2
235.08160	4.1
253.09283	10.0
275.20096	7.5
293.21191	35.4
294.21481	3.6
370.38083	0.9
445.20691	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	793.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01366	1.7
59.78772	0.2
63.02389	0.7
64.26696	0.3
65.00311	0.6
69.78550	0.5
69.78970	0.7
71.01379	2.2
72.99288	0.6
73.04899	0.2
75.00859	0.8
83.01389	0.5
85.02938	2.7
87.00864	1.0
89.02457	0.2
89.33591	0.3
95.01380	1.0
99.00858	1.4
103.00348	0.3
107.01404	1.4
109.02930	0.7
113.02449	2.5
120.99710	0.2
121.02957	0.6
126.04659	0.2
129.01929	0.3
133.02939	5.3
134.03304	0.3
143.71571	0.2
146.29169	0.2
149.02394	1.4
149.37163	0.2
151.00339	3.3
171.04491	0.4
175.02570	0.3
175.03978	2.2
177.01875	0.4
185.06052	0.5
197.06075	0.4
198.03076	0.4
199.03957	1.8
201.01875	0.5
201.56332	0.3
213.05505	0.4
217.04997	1.0
223.04021	0.2
239.03519	0.4
241.05005	1.0
243.03093	0.5
284.03137	0.6
285.04010	100.0
286.04337	9.0
287.04584	0.4
297.03943	0.4
327.05026	1.0
357.06149	1.0
369.06113	0.4
381.06174	0.3
461.07190	55.1
462.07532	7.0
463.07507	0.5
463.29572	0.2
524.15350	0.2
616.02972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66590	2.7
58.00584	3.2
59.01379	25.6
61.98816	8.2
62.26926	2.6
70.16935	4.6
70.17328	6.8
71.01372	33.4
82.44008	2.5
85.98470	2.4
87.00849	3.3
89.02426	8.1
96.96027	2.8
99.00895	3.7
100.92799	3.0
101.02432	8.0
109.06578	4.4
113.02413	3.3
125.09737	5.5
127.11286	5.8
154.78922	3.0
155.10738	3.6
161.04562	3.5
163.11211	5.1
171.10245	51.9
181.08710	4.1
181.12286	7.7
199.09738	31.9
199.13393	10.4
201.09497	5.8
201.11296	89.2
202.11748	5.0
207.10240	27.8
225.11342	41.9
243.12286	6.4
253.09268	21.1
277.21661	100.0
278.22043	9.2
406.78107	3.1
412.46164	3.2
435.18585	10.6
443.18753	4.2
461.20181	16.4
479.21173	6.6
695.39838	8.7
696.41858	3.0
721.41199	11.9
722.41980	3.2
739.42902	17.0
757.43738	38.8
758.43530	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	793.237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09912	0.7
57.28239	0.7
59.01376	17.7
70.26170	1.5
70.26572	1.1
71.01381	13.2
72.99310	0.8
82.37351	0.6
83.01388	1.3
85.01020	8.4
85.02934	5.5
87.00881	1.6
89.02425	8.7
93.03440	2.1
95.01379	2.3
95.04998	5.7
96.95992	3.4
98.19855	1.0
101.02454	6.8
101.06099	0.8
111.38564	0.6
113.02448	11.3
114.02778	0.8
115.02068	1.6
117.03434	2.9
119.03488	3.5
119.05013	20.2
120.05349	1.4
121.02923	3.4
123.00865	1.7
123.04516	0.8
124.01621	0.9
125.02451	3.8
127.02059	1.5
133.06580	7.1
139.01952	0.8
139.03911	0.8
145.02960	16.5
150.19875	0.6
157.05072	5.1
160.05228	0.7
161.06081	14.0
163.04002	24.3
164.04350	1.2
167.03462	1.5
168.00580	1.2
169.03154	0.8
175.02501	1.5
177.05574	5.3
183.04625	0.7
184.50314	0.7
187.04080	1.3
205.05035	17.8
217.05026	0.9
223.06480	0.7
235.06084	1.8
250.46989	0.7
265.07108	5.1
269.04404	5.9
272.19150	0.7
285.04007	2.7
313.05502	1.8
319.10251	4.5
320.10651	1.0
327.08792	1.4
344.10510	0.9
345.10022	9.7
346.10202	1.3
389.14395	2.1
435.09381	4.8
441.11789	1.2
445.07718	2.0
461.07141	1.5
465.14502	0.8
491.13861	1.5
515.22357	0.8
610.23145	0.8
793.23651	100.0
794.23920	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	791.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.0
60.29226	5.0
60.54041	4.3
61.98824	28.3
65.45045	4.2
71.01384	28.5
71.62191	4.7
72.66693	4.6
78.95922	5.6
96.95988	11.0
101.02442	7.5
107.02481	4.8
109.06589	22.3
119.03499	5.3
163.11229	14.5
167.03406	6.2
171.10254	19.1
207.10269	74.3
209.11792	100.0
210.12152	4.7
225.11292	39.2
227.12909	23.6
235.08258	15.1
241.22073	4.5
253.09224	32.8
275.20236	11.5
291.19586	87.5
292.19867	11.8
293.21234	62.6
294.21555	6.3
309.20554	7.1
461.20465	11.6
519.65735	5.4
527.28387	7.4
732.99310	5.9
737.40912	12.4
791.39771	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	23.3
64.28871	9.9
71.61861	11.1
76.60058	10.1
81.46425	10.5
124.38504	9.4
127.78351	9.5
185.08705	8.5
209.11795	100.0
227.12819	19.9
253.09406	12.7
277.21710	79.4
278.22028	12.4
386.50943	10.7
791.43298	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.84535	0.2
57.03439	0.6
57.43159	0.1
58.00590	2.0
59.01373	43.8
60.01709	0.2
69.62360	0.3
69.62766	0.9
71.01375	25.3
72.01712	0.5
72.99300	2.1
73.02946	0.8
75.00848	0.2
80.17191	0.2
83.01373	1.4
85.02938	5.2
87.00882	1.1
89.02434	28.9
90.02763	0.3
95.01375	2.1
96.95992	1.1
97.73772	0.2
98.20593	0.4
99.00877	0.4
101.02431	18.0
102.02779	0.3
113.02435	9.8
114.02825	0.3
119.03488	12.1
120.03817	0.4
125.02437	0.4
126.89758	0.2
131.03490	0.7
143.03459	1.4
149.04517	0.7
161.04547	1.2
179.05576	2.2
193.12308	3.6
211.13319	0.6
216.60844	0.2
315.51001	0.2
358.17667	0.2
373.18604	100.0
374.18951	11.3
653.21716	0.2
676.85309	0.2
792.25330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32523	2.0
59.01376	4.8
61.98817	4.9
62.69587	2.1
69.46878	15.5
71.01362	2.4
94.28906	2.1
96.84027	2.0
96.95996	5.7
98.19867	3.0
101.02414	4.2
111.75750	2.6
121.13736	2.3
141.32797	2.2
149.30103	2.6
197.11804	24.1
209.11806	100.0
210.12184	7.8
211.13457	4.3
217.93779	2.5
227.12842	26.7
235.08269	7.4
253.09221	28.4
287.01178	2.4
291.19669	13.8
309.20688	65.1
310.21005	8.1
311.48776	2.2
363.09711	2.5
445.20844	7.7
463.21851	2.8
527.28644	3.1
545.29309	5.0
791.39850	50.5
792.40009	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	791.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42092	4.7
59.01363	7.5
61.91064	4.9
61.98824	29.1
66.58315	5.0
71.01382	10.7
71.28812	6.2
71.29147	9.0
83.05023	6.5
93.76927	5.9
96.96012	29.6
101.02438	6.6
116.92825	12.4
122.96558	4.9
129.11192	5.2
136.89413	5.6
166.40906	5.5
171.10217	36.8
199.09776	6.7
209.11787	100.0
211.13379	46.8
227.12938	25.6
235.08160	6.4
253.09163	17.8
279.07471	5.2
291.19672	52.6
309.20667	12.6
309.93481	5.3
416.54840	5.6
435.74039	5.7
445.20486	8.9
527.28534	10.1
791.39209	42.8
792.40643	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	791.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.00597	0.5
59.01375	35.3
60.01699	0.5
68.24446	0.3
69.67174	1.0
71.01374	8.4
72.99329	0.4
73.02951	0.4
83.01382	0.7
84.02121	0.2
85.02942	2.0
87.00873	0.4
89.02437	7.6
95.01392	0.6
95.05024	0.3
99.00867	0.3
101.02438	6.0
101.03078	0.4
113.02438	2.9
119.03471	3.1
125.02435	7.1
126.02827	0.2
131.03496	0.3
137.02414	0.2
147.08174	0.7
149.02422	1.0
163.11266	28.5
164.11586	1.9
179.05528	0.3
207.10245	0.2
209.11812	0.3
225.03934	0.4
225.11330	0.5
287.07693	0.7
351.55710	0.2
351.60461	0.2
369.15518	0.2
387.16553	100.0
388.16873	9.8
529.04968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	17.6
70.19514	9.6
71.01355	4.7
88.98791	4.2
89.02437	3.8
96.96002	20.3
163.11311	4.0
178.69757	2.5
207.10208	4.3
209.11797	100.0
210.12129	7.7
227.12871	23.3
235.08102	3.3
253.09196	11.7
289.18039	23.2
291.91080	3.2
307.19119	27.4
308.19531	3.2
445.20627	5.5
753.40350	4.5
789.38153	39.2
790.38226	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	791.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.7
57.29676	0.4
58.00584	0.6
59.01378	38.2
69.74612	2.3
71.00987	0.6
71.01379	8.8
72.81689	0.4
72.99300	0.5
73.02969	0.5
73.18631	0.4
81.03470	0.6
83.01379	3.1
85.02941	2.0
89.02441	9.6
93.03458	0.5
95.01399	1.3
95.05022	0.6
97.02967	1.0
98.20589	0.8
99.00888	0.6
101.02433	6.4
106.52908	0.5
113.02438	3.8
119.03483	2.9
125.02438	80.0
126.02740	2.3
137.02400	0.5
137.06062	1.1
139.03979	0.7
140.46799	0.5
145.56140	0.4
149.02444	9.5
150.02672	0.5
161.04556	0.8
163.03993	0.6
163.11272	23.7
164.11598	1.2
167.03459	0.8
177.01892	0.6
179.03416	0.5
179.05525	0.9
181.26433	0.4
191.05736	0.4
191.77214	0.4
192.04236	0.5
207.06706	1.9
225.04034	6.1
225.07588	0.5
249.03944	0.5
287.07684	10.3
288.08133	0.9
343.17569	1.1
387.09338	13.3
387.16562	100.0
388.09543	1.8
388.16858	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	789.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70313	4.4
58.56334	4.5
61.98822	50.8
68.66347	4.8
68.99565	100.0
69.38828	29.3
69.39237	10.6
71.01379	12.5
85.98019	5.2
96.65604	5.5
96.95998	7.1
98.19795	10.3
112.98554	85.8
113.02425	7.3
140.16330	4.9
198.31766	5.4
209.11792	90.3
211.13538	6.3
225.11354	5.3
227.12950	25.2
227.14827	6.0
253.09137	13.3
258.36639	5.8
289.18015	7.3
299.50076	5.1
307.19168	24.0
429.45056	5.2
431.78232	5.0
445.20703	7.4
554.51398	5.8
732.91962	5.4
753.40320	6.1
789.38226	13.1
818.60242	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	787.403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.20926	82.2
72.78607	23.0
75.78970	21.2
78.95900	29.6
83.31216	23.1
84.08043	21.8
89.91283	24.2
95.41479	26.3
96.42526	24.2
96.96007	88.1
125.02460	34.5
130.20103	22.4
181.76794	24.1
211.13261	31.8
223.13321	62.6
273.71188	27.9
309.20450	44.9
466.38376	25.2
717.67181	27.9
787.40295	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70548	0.2
61.98825	100.0
69.70383	0.4
69.70789	0.7
78.95901	0.3
80.96494	0.4
102.71157	0.2
127.50990	0.2
156.47246	0.2
167.34294	0.2
209.11839	0.4
307.28748	0.2
476.16101	0.2
560.34546	0.2
778.40015	0.2
788.39185	0.4
789.41119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20717	0.2
61.98826	100.0
62.98520	0.2
64.00256	0.2
71.62761	0.4
71.95193	0.2
78.95915	0.2
80.38735	0.2
80.96510	0.4
280.23679	0.2
282.03351	0.2
385.28040	0.2
789.41162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00560	0.6
59.01374	40.8
69.35172	1.8
69.35609	1.9
71.01377	9.5
72.15836	0.4
72.99259	0.4
83.01402	0.5
85.02940	1.7
85.48804	0.5
89.02437	8.8
89.50401	0.5
98.20657	1.0
101.02440	6.0
113.02444	4.0
119.03482	3.1
163.11275	4.4
163.85065	0.4
165.60168	0.5
165.92253	0.4
167.22383	0.5
180.97122	0.4
207.10226	8.0
208.10591	0.5
225.11285	0.5
236.27028	0.4
276.86734	0.4
387.16544	100.0
388.16895	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	787.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03464	1.6
57.61949	1.4
58.00581	3.3
59.01374	57.8
60.99300	3.2
61.98815	1.8
69.29069	1.3
69.29362	14.5
71.01376	34.3
72.50274	1.6
72.99292	3.8
73.02929	2.7
85.02939	9.0
87.00848	1.9
88.98788	13.9
89.02439	28.0
95.01366	2.6
96.96009	8.6
99.00836	1.7
99.04505	35.5
101.02445	12.3
108.16462	1.5
111.04518	3.8
113.02467	11.1
117.01866	1.8
117.03439	4.3
119.03480	7.4
119.04981	2.1
121.06544	1.7
123.04522	1.9
125.02410	3.7
132.02106	3.3
133.02968	6.7
134.03726	60.1
135.04562	12.0
136.01665	3.9
137.02402	3.2
143.03516	1.7
147.04526	10.5
148.05304	7.1
149.02406	1.4
149.06067	13.7
150.03188	2.1
151.03966	2.3
153.01875	1.5
158.03694	2.7
160.01636	22.3
161.02386	3.9
161.04472	2.2
163.04004	3.5
163.07642	1.8
164.04721	1.8
165.05527	2.6
173.06073	1.6
173.62920	1.6
174.03113	2.5
175.02481	2.3
175.03984	36.2
176.04759	37.5
177.01944	7.3
177.05330	2.9
178.02666	9.6
179.03358	3.6
179.05531	2.3
182.99731	1.6
189.12822	8.5
191.05583	5.3
191.07106	42.4
192.04210	4.1
192.07458	3.1
193.05035	63.7
194.05368	3.5
207.06616	12.5
207.13866	42.5
208.14110	3.3
209.11719	1.9
217.04964	3.3
220.03835	7.1
233.11841	3.0
235.06084	67.1
236.06409	5.1
251.12862	100.0
252.13260	8.3
265.07190	19.8
295.08182	25.6
296.08569	1.9
350.57877	1.7
352.07968	2.5
355.10223	19.0
356.10800	2.3
356.60898	1.8
387.20367	1.8
431.19135	81.8
432.19495	11.0
449.20325	2.5
526.04083	1.8
563.24396	2.1
607.23853	70.0
608.24200	13.2
611.25610	7.9
612.24493	2.1
787.30194	89.5
788.30487	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.9
61.98824	0.6
63.02390	0.3
65.00297	0.6
67.65127	0.3
69.07761	0.3
69.48343	0.5
69.48750	2.1
71.01381	1.1
73.02939	0.4
83.01373	0.7
85.02955	0.5
88.68871	0.3
88.98766	0.4
89.02438	1.2
93.03430	0.6
96.95984	3.0
98.19926	0.8
99.04507	0.5
101.02382	0.6
103.00365	0.6
107.01369	1.0
108.02161	1.1
109.02956	0.9
113.02419	0.6
113.06084	0.4
125.02423	1.4
133.02914	5.7
137.02441	0.8
149.02399	1.0
151.00363	3.3
152.01166	0.5
161.02415	1.0
164.01175	0.4
164.13385	0.3
175.03940	2.5
177.01828	0.6
191.05566	1.6
195.06764	0.3
199.03929	2.1
201.01877	0.9
215.03534	0.6
217.05049	1.0
241.05031	1.2
243.02980	0.8
256.03848	1.7
257.04422	0.5
284.03229	3.9
285.03992	100.0
286.04333	8.8
324.09753	0.5
326.14990	0.4
339.12308	1.0
400.13367	0.7
401.14005	0.7
437.09061	0.9
445.16455	4.8
447.09222	65.2
448.09528	8.2
787.24774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
62.98518	0.2
62.99257	0.1
70.90126	0.3
80.90588	0.1
80.96523	0.3
83.82716	0.1
93.46616	0.1
98.19933	0.1
98.20501	0.1
114.00883	0.1
125.02325	0.1
129.53705	0.1
138.82483	0.1
152.57216	0.1
162.04016	0.1
165.34453	0.1
209.11841	0.3
210.12161	0.2
221.99663	0.1
260.68222	0.1
277.21817	0.2
278.22006	0.4
279.22589	0.2
627.08923	0.1
648.81183	0.1
787.40082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	0.1
61.98822	100.0
62.05883	0.1
62.98525	0.1
68.53159	0.1
69.58305	0.4
80.96513	0.2
94.98107	0.1
98.19860	0.1
124.56224	0.0
142.87244	0.1
146.81984	0.1
198.65306	0.1
209.11800	0.4
210.12166	0.3
211.12383	0.1
216.69093	0.0
225.00679	0.1
277.21710	0.2
278.22238	0.1
279.22382	0.1
380.27792	0.1
550.03369	0.1
610.77112	0.1
787.38782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98824	100.0
62.98534	0.1
63.19988	0.1
71.01391	0.1
79.95701	0.1
80.96518	0.1
101.02467	0.1
104.63274	0.1
170.32600	0.1
207.10118	0.1
209.11815	1.1
210.12090	0.4
213.36208	0.1
225.11299	0.1
226.11777	0.2
227.12921	0.2
235.08334	0.1
277.21649	1.0
278.21973	0.6
279.22382	0.1
511.43484	0.1
652.11676	0.1
784.42023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
61.98822	100.0
69.54619	0.6
69.55022	1.7
71.01378	0.6
73.53030	0.4
79.95746	0.6
82.95387	0.4
89.02438	0.8
94.92495	0.3
95.85894	0.3
96.95998	13.7
98.95593	0.4
101.02456	0.6
102.22669	0.3
113.02417	0.5
117.03435	0.8
119.04987	0.4
125.02396	0.4
145.02914	2.4
161.02362	0.4
171.10321	0.4
176.72989	0.3
207.10280	0.5
209.11850	0.7
210.06905	0.9
211.07597	6.2
212.08054	0.6
268.03653	1.6
269.04514	3.6
270.05148	0.4
273.01288	0.4
285.04129	1.0
355.25293	0.4
357.26529	1.2
357.70905	0.4
373.26144	0.4
401.29178	0.3
409.67871	0.3
511.08722	4.6
512.09314	0.7
723.17126	3.6
724.17810	0.8
768.37616	0.4
785.39587	0.7
786.40729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.0
61.98823	100.0
65.00340	0.5
70.00951	1.9
71.01389	1.1
73.02946	0.5
75.80822	0.5
79.95734	1.1
85.02953	0.6
89.02412	0.6
93.03478	0.5
94.92499	0.6
96.96003	29.9
98.95618	1.2
101.02403	0.5
107.01414	0.8
113.02412	0.6
117.03452	15.2
119.05013	4.3
125.02426	0.6
137.02455	0.6
145.02934	31.0
146.03308	1.4
149.02438	1.3
151.00377	1.2
159.04488	1.0
161.02475	0.7
163.03995	1.9
171.10332	0.9
183.04720	0.5
197.11780	0.6
225.05449	0.7
225.11368	0.7
227.03612	0.6
265.05807	0.4
268.03925	1.2
269.04520	48.0
270.04852	3.6
284.03241	3.1
285.03995	9.9
286.04471	2.0
299.05728	1.7
309.20700	0.6
357.26498	2.6
358.26959	0.7
369.22891	0.5
373.26105	1.3
453.12234	1.9
577.13696	1.0
723.17053	37.6
724.17310	10.3
785.33661	0.5
786.35419	1.4
787.34894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.0
58.00601	0.6
59.01377	38.2
69.73872	2.3
71.01379	8.2
72.99297	1.0
73.02937	0.5
81.03461	0.6
81.64154	0.4
83.01382	3.1
85.02980	1.9
87.00864	0.5
87.61414	0.4
89.02432	9.0
93.03467	0.8
95.01401	0.5
95.05037	0.5
96.96066	0.4
97.02946	1.1
99.00888	0.8
101.02444	6.1
113.02436	3.5
114.82812	0.4
119.03479	2.9
125.02438	66.6
126.02791	2.0
131.03574	0.4
135.04474	1.0
136.58286	0.4
137.06073	0.6
139.04013	0.9
147.08176	1.0
149.02432	9.1
149.04349	0.4
161.02464	0.5
161.04553	0.9
163.11276	29.3
164.11612	1.5
167.03447	0.5
179.03447	0.7
181.05081	0.9
191.05583	2.4
207.10364	0.5
225.03947	4.5
225.07605	0.8
225.11610	0.4
226.07796	0.4
287.07727	9.9
288.08020	0.5
379.15656	0.9
387.09442	8.7
387.16562	100.0
387.77756	0.4
388.09604	0.8
388.11578	0.7
388.16867	10.0
427.35760	0.4
500.79883	0.5
502.08563	0.4
721.28241	0.5
783.23737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
59.01375	14.5
61.98837	1.4
68.99567	0.7
69.03446	0.7
71.01380	4.2
71.05007	0.9
71.46217	0.5
73.02944	1.4
80.96510	1.3
83.01394	1.0
83.05013	0.4
85.02947	1.3
87.00877	0.8
89.02444	2.3
95.01393	0.5
97.02947	6.1
97.06596	0.8
99.00877	9.9
101.02432	2.5
109.06581	1.2
110.03726	1.1
111.04498	0.5
112.98556	1.0
113.02447	2.1
119.03555	0.4
123.08186	0.4
125.02427	1.0
125.09705	3.2
135.08150	0.9
136.05270	0.8
142.02699	2.5
143.03462	0.6
161.04543	1.0
161.09731	0.6
163.11272	7.6
163.12666	0.5
179.05791	0.5
179.10738	0.5
181.12320	16.0
182.12650	1.1
199.13332	1.3
203.23564	0.4
207.10237	48.4
208.10547	2.6
225.11293	100.0
226.11649	5.8
230.42030	0.4
235.08142	1.9
243.12341	11.5
244.12762	0.7
253.09245	2.9
275.20099	0.5
277.21680	87.2
278.22034	7.6
278.24863	0.6
299.15009	1.2
317.16171	0.9
443.19077	4.4
461.20221	41.4
462.20609	4.2
513.20477	0.4
721.41608	28.6
722.41962	7.6
781.41217	1.2
782.40790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98824	100.0
71.62632	0.3
75.00864	0.3
78.95898	1.3
80.96514	1.5
81.27297	0.2
88.44025	0.2
94.98086	0.3
96.96938	0.4
101.02409	0.2
152.99664	0.3
162.49850	0.2
164.98590	0.2
209.11679	0.9
210.12175	0.3
223.13425	0.5
224.13770	0.5
225.00752	0.4
241.01190	0.4
255.23306	0.7
256.23676	0.3
277.21915	0.4
553.06854	0.2
690.98145	0.2
782.41425	3.1
783.41284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	66.7
60.01703	1.4
61.98813	3.1
63.40706	1.5
64.87030	1.5
68.30083	1.4
68.99818	14.4
71.01370	1.7
71.15991	1.4
71.28931	2.4
71.63207	1.8
75.19569	1.4
79.46526	1.3
96.99304	17.8
112.98784	1.5
139.00395	2.0
140.98308	14.7
141.01819	4.0
176.64960	1.4
199.13333	2.1
209.11784	5.0
227.12877	4.9
277.21729	8.9
280.25830	1.4
423.49457	1.5
452.14713	2.6
481.15173	21.7
482.15506	5.1
495.16931	7.7
539.15094	1.9
540.16614	9.1
541.16815	2.6
554.18896	2.2
555.18811	22.2
556.18726	4.5
572.15540	19.3
573.15405	3.6
586.16656	2.8
641.22516	27.7
642.23029	7.9
701.24628	100.0
702.24597	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53428	0.6
56.97066	0.7
59.01091	1.3
59.01373	19.0
61.98819	6.3
69.03436	1.4
71.01384	3.8
71.04996	0.9
71.14455	0.6
71.62102	0.8
73.02933	0.7
78.11894	0.6
78.95896	1.3
80.96495	1.6
85.02937	1.0
89.02431	2.7
101.02425	2.5
113.02452	1.7
119.03497	0.7
124.22343	0.6
128.34810	0.6
130.36011	0.7
150.22881	0.6
161.04568	1.8
164.98650	0.7
167.10771	3.3
167.51593	0.7
179.10869	1.0
179.14383	3.1
195.13885	9.1
196.14304	0.9
205.12303	10.9
223.13365	100.0
224.13724	7.6
235.08281	1.5
241.75470	0.7
253.09216	7.8
277.21683	64.8
278.22025	7.6
441.21042	4.1
459.22299	17.5
460.22620	2.9
513.31250	0.9
719.43073	3.3
779.39850	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31836	0.1
58.99595	16.9
59.01123	0.2
59.01371	1.9
62.83833	0.1
69.74158	0.3
69.74570	0.5
69.99097	0.2
74.99085	2.0
82.14259	0.2
82.84983	0.1
93.03458	0.2
96.95992	0.2
102.98584	100.0
103.98959	1.3
120.99632	3.0
121.02902	0.2
122.03749	0.3
123.04527	0.2
145.02898	0.3
149.02423	0.5
150.03212	1.9
161.46959	0.2
163.00681	14.1
164.01073	0.4
164.04826	0.2
165.01894	0.3
165.05528	1.9
166.05916	0.2
180.04253	0.3
183.08415	0.3
195.06580	1.5
201.57927	0.1
209.11809	0.2
230.52544	0.2
282.99631	0.2
313.11157	0.4
329.13913	0.3
343.12198	0.2
373.12888	0.2
537.21448	0.2
555.22034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01376	35.1
69.69945	2.3
71.01378	7.0
72.99287	0.8
73.02934	2.0
75.00883	0.8
81.03499	0.4
83.01371	1.3
85.02934	3.6
86.00048	0.4
87.00836	1.2
89.02439	2.9
95.01374	0.6
96.95996	0.9
98.20595	0.8
99.00862	1.7
101.02432	6.3
108.40885	0.5
113.02441	4.5
119.03484	1.1
121.02943	3.6
125.02432	2.0
150.52577	0.4
153.27409	0.4
161.04512	1.0
165.12796	1.0
179.05609	0.4
180.37563	0.5
182.82224	0.4
186.31287	0.4
191.05556	1.6
209.11737	1.1
227.12776	0.6
238.78957	0.4
247.05864	0.4
249.06137	2.7
371.09747	9.0
371.16943	0.8
372.10101	0.5
381.18851	0.5
389.18112	100.0
390.18469	11.4
391.18759	0.6
463.11877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44997	0.3
57.03421	1.1
59.01374	6.0
60.48941	0.3
62.96302	0.3
63.02387	1.2
65.00323	0.7
67.28145	0.3
70.63721	0.7
71.00991	0.3
71.01378	5.3
72.99291	1.2
73.02939	0.5
73.91673	0.3
75.00858	2.4
83.01371	0.6
85.02944	11.8
87.00863	2.1
89.02421	0.8
93.03477	0.5
94.78869	0.3
95.01369	4.1
96.95994	1.3
99.00868	4.2
101.02406	0.4
103.00362	1.9
107.01369	1.7
111.00904	0.3
113.02437	28.5
114.02745	1.0
115.00362	0.7
117.01966	1.6
117.03436	3.4
125.02390	0.7
129.01910	0.9
132.04572	0.3
134.06073	0.3
149.02394	1.3
151.00337	1.2
157.01398	0.6
159.04483	1.2
160.03896	0.4
161.02431	0.9
162.05527	0.5
165.01877	0.5
169.06468	0.6
175.02452	13.3
176.02745	0.5
181.06689	0.3
183.04495	0.8
191.05589	0.8
193.03810	0.5
195.06596	0.5
196.05173	0.4
197.06003	0.7
201.05579	0.7
225.05621	1.4
227.03278	0.3
268.03882	0.4
269.04507	100.0
270.04837	9.8
270.07877	0.5
271.04953	0.4
285.12265	0.4
328.73441	0.3
329.11401	1.3
330.11780	0.7
331.08325	0.5
331.12091	0.4
389.14496	0.9
445.07697	28.6
446.07980	3.8
447.08463	0.4
476.49847	0.3
535.71674	0.3
615.24707	0.3
668.03033	0.4
777.31689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	16.2
61.98821	5.4
62.87276	1.3
70.33376	1.0
71.01384	14.1
71.63490	1.5
73.02930	0.9
83.01363	2.0
84.01383	1.0
85.01026	6.3
85.01443	0.9
85.02952	5.4
87.00844	2.3
88.98787	1.3
89.02442	8.3
93.03448	2.0
95.01357	2.3
95.05009	7.0
96.96006	7.1
97.02913	1.4
101.02415	7.1
110.26183	1.0
113.02464	5.2
115.02058	1.8
119.03495	2.3
119.05022	1.5
121.02959	3.1
125.02405	6.2
131.05002	2.6
133.06555	1.5
134.03680	1.3
137.02411	2.5
139.03928	2.5
142.54294	0.9
145.02916	2.5
145.06519	1.3
147.04510	27.6
148.04794	2.2
149.02438	1.2
150.03165	4.5
157.04987	2.9
161.04666	1.0
161.06044	23.2
162.06395	1.7
165.05542	2.8
167.03419	2.1
171.10194	1.0
178.02451	1.1
179.03348	1.2
179.05566	1.4
189.05576	5.8
191.05562	2.2
193.05000	1.1
195.06560	2.5
205.05075	1.4
209.11728	8.8
210.12125	1.3
227.12822	2.0
274.28299	1.1
279.01007	1.3
289.07135	2.3
319.10373	2.4
327.08972	1.3
331.41226	1.2
345.09927	6.1
449.14761	1.9
475.13940	2.9
734.97455	1.1
777.24023	100.0
778.24335	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
58.99599	13.4
59.01369	3.8
63.35864	0.2
66.34192	0.3
69.32414	2.1
74.99084	2.3
79.83728	0.2
79.84228	0.3
87.00864	5.8
93.03459	0.3
96.96008	0.4
102.98586	100.0
103.98952	1.7
110.57094	0.2
120.99642	9.2
129.01927	2.4
133.67084	0.2
139.02222	8.3
140.02585	0.4
151.00261	0.3
163.00690	19.1
167.86693	0.2
191.05624	0.7
209.02684	0.8
214.21257	0.2
227.03807	4.9
243.02942	0.4
255.02969	1.3
269.04846	25.5
270.05185	1.7
271.02429	1.9
300.02725	3.6
301.03433	1.7
313.03979	0.3
359.34634	0.2
463.08789	3.5
464.08948	0.5
662.15527	0.3
777.25586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44592	0.1
61.98825	100.0
62.98531	0.2
87.62270	0.1
128.95087	0.1
154.91263	0.1
204.17194	0.1
213.09897	0.1
214.34378	0.1
215.42729	0.1
229.12025	0.1
269.77557	0.1
271.01651	0.1
312.03378	0.1
330.43658	0.1
497.40536	0.1
611.43842	0.1
723.10638	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	775.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69007	2.0
55.87182	2.3
61.98815	3.5
62.85012	2.0
71.01369	3.8
78.95898	4.5
79.25389	2.2
83.04963	2.9
96.96004	11.9
98.95585	3.6
135.56194	2.5
155.10521	2.8
160.33818	2.4
161.45094	2.2
171.10207	7.0
175.77817	2.7
209.11795	100.0
210.12103	2.8
227.12871	23.0
233.32635	2.2
235.08124	4.2
253.09235	28.3
269.57043	2.4
273.96472	2.4
275.20126	18.0
293.21201	98.9
294.21454	13.3
445.20505	6.9
529.30115	5.7
775.40247	58.0
776.40875	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	775.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
66.94977	8.5
71.61802	8.0
71.62225	11.1
72.97144	7.7
77.34760	9.8
167.35669	8.7
204.54794	8.5
211.13408	11.2
277.21698	18.5
775.44159	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	775.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.3
65.82704	0.1
71.01357	0.2
71.63530	0.1
78.95888	0.8
79.95728	3.3
79.96184	0.2
85.02914	0.1
89.02464	0.1
93.03446	0.1
96.95998	100.0
97.95940	0.3
101.02406	0.1
119.05019	0.1
120.99723	0.1
125.02429	0.2
137.02403	0.1
150.03302	0.1
151.04048	0.2
152.01151	0.1
163.04018	0.2
179.03572	0.1
191.05556	0.1
238.23306	0.1
713.71570	0.1
775.27106	0.3
775.47015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.7
61.98822	18.9
71.01387	7.0
71.19035	3.9
73.02937	2.7
89.02440	3.1
91.92952	2.3
97.02934	2.9
101.02432	5.6
101.46195	2.5
109.06591	10.4
125.82724	2.1
134.06505	2.4
155.10782	3.3
163.11293	5.9
164.57745	2.7
171.10257	21.6
179.05550	4.3
181.08714	3.6
181.12308	2.8
189.09238	3.2
199.09749	45.0
201.11313	7.5
207.10242	40.8
215.12791	3.5
225.11287	44.5
235.08192	6.5
237.68896	2.3
243.12436	2.8
253.09262	16.0
277.21686	100.0
277.24728	5.6
278.22000	8.0
317.47165	2.7
415.31662	3.1
417.17203	2.5
435.18698	9.4
441.30093	5.1
443.19177	13.6
461.20349	19.6
513.30798	3.9
695.40131	64.6
696.40436	13.9
703.40515	4.3
721.41565	52.3
722.41772	11.5
739.42456	3.0
775.40381	17.8
776.41492	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	775.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25425	1.9
59.01362	6.5
61.98822	22.2
65.34595	2.1
71.01379	3.6
75.10912	2.0
78.95908	3.1
80.58804	1.9
89.02440	5.0
95.05007	3.6
98.19817	4.4
101.02427	5.8
103.49312	2.0
109.06570	5.3
113.02422	3.2
131.48631	2.2
149.16940	2.2
161.04628	2.6
161.09552	2.1
163.11238	6.6
171.10240	23.9
172.10532	2.4
179.05524	4.2
181.08672	3.1
189.09085	4.5
199.09703	12.9
201.11259	6.3
207.10231	30.7
208.10555	2.3
225.11299	73.5
226.11644	6.3
235.08107	9.4
253.09261	13.9
277.21692	100.0
277.24731	4.9
278.22006	9.3
407.18954	2.8
443.19104	17.9
461.20206	27.2
462.20380	4.1
513.30426	4.1
695.40009	30.9
696.40070	5.5
703.40601	3.6
703.74060	2.6
721.41522	58.6
722.42096	13.8
739.43494	2.7
775.40814	6.8
776.40265	3.6
785.08575	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	775.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94208	0.2
58.99595	16.4
59.01372	2.1
59.99918	0.2
69.45105	1.6
71.01358	0.3
74.99091	1.9
96.96001	0.8
97.26115	0.2
98.20779	0.3
102.98585	100.0
103.98981	1.5
108.02166	0.2
109.02960	0.3
120.99642	3.3
121.02972	0.3
123.95417	0.2
125.02423	0.5
137.02422	0.8
161.02443	0.4
163.00685	13.3
164.01039	0.7
165.01923	1.3
167.03282	0.2
177.01981	0.2
178.90863	0.2
182.90450	0.2
183.08411	0.2
191.05617	0.2
194.46706	0.2
195.06580	0.2
207.33685	0.2
225.07719	0.4
287.05646	0.6
313.11188	0.5
385.12808	0.7
425.63409	0.2
775.33014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.26948	0.2
57.03433	0.2
58.00574	0.3
59.01382	9.0
69.03468	0.4
69.54439	1.9
71.01376	10.9
72.99310	0.4
73.02943	0.8
75.00844	0.4
81.03455	0.3
83.01379	1.0
85.02929	0.8
87.04517	1.4
89.02437	2.0
93.03423	0.3
95.04993	0.4
96.95980	0.5
97.02917	0.5
99.00872	0.4
101.02432	4.8
101.06072	38.8
102.06416	0.8
113.02450	1.0
113.06113	1.6
115.07637	73.2
116.07983	2.4
120.80409	0.2
121.02976	0.3
125.02451	0.7
134.54935	0.3
143.07123	6.3
150.03250	0.3
155.07146	0.5
157.05040	0.6
159.06630	0.5
161.04547	0.4
165.01938	0.4
165.05594	0.6
165.09206	0.4
169.08716	0.3
173.08173	0.8
181.04987	0.2
195.06560	0.5
197.08195	0.6
203.09222	1.2
209.08153	1.7
265.45126	0.2
269.92404	0.2
366.44711	0.2
403.16037	100.0
404.16382	12.0
442.65002	0.3
492.50732	0.2
725.81781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
57.14351	0.3
58.00586	0.5
59.01376	37.0
60.01694	0.4
62.01666	0.3
69.60899	2.0
69.61282	0.6
71.01376	8.6
72.99281	0.4
83.01367	0.8
85.02953	1.6
87.00880	0.4
89.02433	7.2
95.01402	0.5
98.19899	0.5
101.02434	5.6
107.05756	0.3
112.55055	0.3
113.02453	3.5
119.03480	2.9
163.11266	3.7
200.93011	0.3
207.10240	8.0
208.10603	0.4
225.11411	0.3
279.17645	0.4
369.15652	0.4
387.16556	100.0
388.16907	10.9
538.14673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.0
59.01377	7.9
69.03432	0.2
70.25986	0.5
70.26350	0.3
71.01379	2.3
73.02934	0.3
81.03452	1.1
83.01379	3.7
85.02943	0.5
89.02434	1.9
93.03432	0.2
95.01377	0.2
95.05006	0.3
97.02937	1.1
99.00867	0.5
101.02428	1.6
103.65802	0.2
105.03437	0.2
109.02979	0.3
113.02435	0.9
119.03506	0.8
119.05034	0.3
121.02925	0.4
123.04496	0.3
125.02434	100.0
126.02758	3.4
137.02446	0.2
137.06071	0.8
139.04005	1.4
143.67932	0.2
149.02425	13.2
150.02768	0.6
151.04012	0.2
161.04529	0.4
163.04019	0.7
163.11256	6.5
164.11650	0.3
167.03432	0.9
179.03482	0.7
181.05086	1.0
191.03499	0.3
191.05617	0.2
209.04613	0.3
225.02138	0.1
225.04007	7.0
287.07690	12.9
288.07977	0.6
343.17569	0.2
379.16089	0.4
387.09293	15.7
387.16586	28.9
388.09625	1.4
388.16907	2.2
768.92511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78837	4.5
59.01374	6.5
60.01480	3.9
61.98817	8.3
71.01379	4.2
71.62460	6.2
77.04120	4.6
78.95885	6.9
96.96002	100.0
110.68781	4.1
112.80416	4.3
124.06309	4.8
129.27895	4.8
144.08072	4.2
152.99579	6.4
162.24155	4.4
169.12329	8.7
209.11829	65.2
225.11331	5.4
227.12819	18.5
227.14816	4.0
235.08325	5.7
253.09256	6.9
291.19611	95.8
292.19897	9.6
527.28473	19.3
737.41138	16.0
773.38464	22.6
774.37915	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	773.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03441	1.2
59.01374	4.0
61.98824	3.9
69.03458	1.1
71.01376	5.4
71.17482	0.6
72.99298	0.4
73.02925	1.5
73.82598	0.3
80.02673	0.9
81.03445	1.7
83.01385	1.0
83.05019	4.4
84.02168	1.4
85.02950	5.2
85.30740	0.3
87.00874	1.2
88.98791	0.5
89.02441	3.1
91.04031	0.3
93.03439	0.5
95.01399	0.4
95.05017	0.9
96.96001	10.2
97.02948	1.3
97.06591	2.0
98.95573	0.6
101.02426	4.7
109.02939	0.9
109.06626	0.4
111.04485	0.3
111.08200	0.3
113.02472	2.0
116.92847	0.8
119.03492	1.3
119.08649	0.3
121.03043	0.4
123.04475	0.3
125.02447	0.6
125.06020	0.4
125.09723	0.8
127.11279	0.8
135.08142	0.5
137.09721	1.2
143.03505	0.8
145.02950	0.3
145.05008	0.4
147.11765	0.4
155.10779	0.7
161.04562	2.5
163.04050	0.3
163.11287	4.1
165.12807	2.4
167.03384	0.4
167.14331	0.4
171.10260	16.6
172.10596	0.5
177.12753	0.3
179.05675	0.5
181.12343	1.0
183.13867	1.9
184.14302	0.3
185.11801	0.4
191.10754	1.1
193.12274	0.6
197.11798	0.4
201.11308	0.8
209.11809	100.0
210.12151	7.1
211.13361	9.2
212.13683	0.6
212.58784	0.3
221.11852	1.4
227.12863	12.3
228.13211	0.7
229.14417	5.8
230.14763	0.5
235.08194	9.1
236.08382	0.4
239.12791	0.9
251.16446	0.4
253.09262	19.4
254.09602	1.2
280.84271	0.4
284.03244	0.5
285.04016	2.3
286.04276	0.6
287.22241	0.4
291.19574	2.6
309.20651	7.5
310.21039	0.9
327.21722	58.0
328.22015	6.0
360.10535	0.3
373.25665	0.6
420.26013	0.3
445.20947	1.9
461.07199	0.4
463.22116	0.4
492.47934	0.4
519.33197	1.2
537.34747	0.4
545.29407	1.5
546.30054	0.5
563.30707	2.5
564.30914	0.8
693.10754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83711	1.5
59.01355	2.4
61.98815	4.0
71.01363	3.6
71.31881	1.6
71.32227	3.7
78.95895	4.5
79.95739	4.0
96.96001	100.0
101.02451	1.7
112.45753	1.8
113.70674	1.5
152.99466	2.4
160.73152	1.4
165.28214	1.4
171.10211	2.8
209.11794	36.8
210.12071	3.7
227.12775	8.4
235.08231	2.5
253.09149	5.2
291.19644	25.0
292.20038	3.5
293.21179	3.8
294.21277	2.0
445.20749	3.2
449.63495	1.9
547.01581	1.6
719.40033	3.5
773.39099	5.2
774.38501	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.1
61.68777	0.1
61.98818	0.2
69.47789	0.2
69.48204	0.3
71.01353	0.1
78.95893	0.8
79.95733	3.5
94.92510	0.1
95.65307	0.1
96.96001	100.0
97.95932	0.3
98.19888	0.1
99.80302	0.1
111.66168	0.1
171.10152	0.1
204.39035	0.1
209.11880	0.2
397.13904	0.1
407.17804	0.1
453.09229	0.2
513.46796	0.1
551.65625	0.1
713.31097	0.3
714.31439	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	773.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24741	2.7
59.01385	5.5
61.98819	25.4
70.16446	10.2
71.01391	4.9
83.05024	2.9
85.25112	2.4
88.98764	2.4
89.02476	3.3
92.24191	2.1
93.03445	2.4
96.96002	50.2
98.95576	7.2
109.02941	3.0
137.02396	3.2
145.32024	2.7
177.01773	2.7
209.09816	5.6
209.11812	100.0
210.12059	6.7
227.12897	18.9
253.09258	5.1
327.21686	6.4
373.26227	4.1
445.20969	15.3
446.21017	2.8
465.64279	2.6
637.32104	3.6
673.34003	4.7
773.37341	30.0
774.38220	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	773.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.1
61.98813	0.1
71.01376	0.2
78.95891	0.9
79.95731	3.5
92.10519	0.1
93.64973	0.1
94.92493	0.1
95.97561	0.1
96.96001	100.0
97.09864	0.1
97.95917	0.4
98.19827	0.1
115.97309	0.1
118.96654	0.1
171.10231	0.2
209.11751	0.1
211.13448	0.1
225.11432	0.1
253.09224	0.1
277.21790	0.1
293.21133	0.1
311.22400	0.2
435.08194	0.1
453.09314	0.3
468.85669	0.1
713.30511	0.3
774.80212	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	770.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02281	0.3
61.98823	100.0
69.51493	0.2
71.38664	0.4
75.26996	0.2
97.87788	0.2
107.84508	0.2
182.51651	0.2
194.29211	0.3
211.13432	0.6
212.13855	0.6
225.38902	0.2
232.48355	0.2
277.21716	0.3
278.22052	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	771.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.3
63.10151	0.1
78.95900	1.8
79.95733	3.4
83.05019	0.2
93.03455	0.2
93.61372	0.1
96.96004	100.0
97.95947	0.5
97.96487	0.1
109.02911	0.2
111.04507	0.1
113.23090	0.1
121.02956	0.6
125.02432	0.1
137.02419	0.2
209.11726	0.3
211.13406	0.6
243.12184	0.1
243.16028	0.3
265.07553	0.2
268.98831	0.1
269.04483	0.1
527.16327	0.1
554.86597	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	771.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.1
58.00599	2.1
59.01374	15.4
61.98823	2.5
69.03443	2.7
71.01378	38.6
73.02946	6.3
80.02680	1.9
81.03455	3.7
83.01377	2.4
83.05005	7.8
85.02953	7.1
87.00875	4.8
89.02434	5.8
95.01369	2.6
95.05026	4.0
96.96002	27.4
97.02961	9.6
97.06566	2.9
99.00862	2.1
101.02428	10.6
107.61912	1.4
109.06588	13.3
110.03727	2.0
111.04538	1.2
111.08144	1.8
113.02461	6.0
115.26217	1.2
119.03474	1.5
123.04517	2.5
125.09736	6.6
127.11270	4.5
131.54347	1.3
135.08099	2.2
137.09708	3.2
139.07596	1.6
143.03459	2.9
145.05106	2.0
155.10693	2.7
161.04527	4.1
163.11276	19.9
165.12828	7.9
167.10699	2.5
171.10252	79.1
172.10593	4.9
179.10747	2.8
181.12329	7.0
185.11856	7.7
189.09210	3.1
191.10751	1.6
191.14330	1.9
197.11792	11.9
199.09763	1.4
201.11308	36.1
201.13179	2.8
202.11627	1.6
207.10239	35.3
209.11804	100.0
210.12140	6.7
211.13377	6.7
215.12816	4.5
225.11292	59.4
226.11659	4.3
227.12825	12.4
235.08115	6.9
243.12271	4.4
245.19067	3.1
247.20743	3.8
253.09238	29.7
254.09689	1.5
289.18036	14.1
291.19656	40.0
291.22928	1.9
292.19943	3.2
295.10321	2.2
307.19125	6.2
309.20691	60.9
310.20990	6.5
341.23318	1.4
418.02716	1.3
443.19226	2.9
461.20172	10.1
471.72543	1.4
479.21045	2.2
541.72772	1.5
563.98627	1.4
713.94806	1.4
753.40240	5.5
754.40906	3.1
771.41095	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	769.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.9
61.98825	10.3
63.96229	1.5
69.46640	3.7
71.01373	8.6
72.99327	0.7
73.02936	2.4
78.98579	7.3
79.95728	15.1
79.96187	1.0
80.96507	78.8
81.03439	0.9
83.01357	0.7
83.05018	0.6
85.02963	3.4
87.00855	3.4
88.98804	0.7
89.02437	0.9
94.98083	18.4
96.95992	6.9
97.02924	1.6
98.20624	1.0
99.00845	0.9
101.02476	2.9
106.98085	3.2
113.02468	0.8
121.02936	0.9
122.97561	3.2
125.02444	5.0
127.04022	1.0
134.97569	5.2
136.99130	2.4
137.02432	0.6
145.02913	0.7
148.99130	7.8
152.98610	6.8
163.11163	0.5
164.98602	13.1
165.01852	0.6
167.00166	0.5
206.99695	3.2
209.11804	4.8
225.00714	26.0
226.01064	1.0
269.04489	0.9
283.05042	0.8
322.49655	0.6
344.11484	0.5
453.83835	0.6
509.16727	3.2
541.19415	2.1
589.33533	0.9
737.31470	0.6
769.33093	100.0
770.33362	20.3
792.31207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01374	2.8
69.03442	1.0
71.01379	1.1
71.62635	0.7
73.02930	0.9
73.79830	0.6
80.12560	0.4
83.05042	0.6
85.02952	2.9
87.00876	2.3
91.00197	0.5
93.03433	0.6
96.96020	1.4
97.02950	0.9
109.02953	0.6
113.02434	0.7
121.02944	0.8
125.02425	1.4
127.03951	0.7
137.02362	0.9
137.09709	1.1
145.02898	0.6
168.04659	0.5
175.02425	1.7
175.41803	0.5
177.01913	0.5
191.03580	0.9
191.05600	1.5
245.19102	1.1
285.04041	0.5
285.08820	0.6
291.09650	0.7
306.07578	0.5
319.19083	0.7
337.20157	20.6
338.20428	2.7
353.08774	1.2
381.19138	100.0
382.19489	12.4
389.18201	1.8
405.09097	0.5
507.99536	0.6
512.20746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
62.98531	0.2
70.62984	0.2
70.63334	0.1
96.96012	0.3
111.32998	0.1
123.03290	0.1
137.02463	0.1
164.43512	0.1
209.11833	0.2
241.89148	0.1
294.01187	0.1
295.97281	0.1
309.20728	0.1
310.20926	0.1
359.32220	0.1
485.10889	0.1
599.26270	0.1
701.97864	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	769.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74701	0.4
58.99597	14.6
59.01372	1.8
70.30972	0.4
74.99084	2.1
88.98810	0.6
89.02467	0.5
96.95995	2.1
102.98586	100.0
103.98914	1.6
120.99660	4.4
125.02422	0.9
126.87226	0.4
148.05307	1.9
152.01180	0.4
163.00685	11.4
163.07626	1.7
168.40321	0.4
191.05687	0.4
229.24693	0.4
271.79285	0.4
289.07208	0.5
322.68173	0.4
326.37924	0.4
363.91785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00170	0.4
59.01370	12.1
61.98817	4.5
63.99238	0.5
71.01367	2.1
73.87949	0.4
80.96487	0.8
82.07074	0.4
85.02934	0.8
89.02434	1.9
96.95994	0.5
101.02428	1.6
105.20435	0.5
113.02424	1.0
119.03491	0.6
139.51018	0.5
161.04546	0.9
178.56184	0.4
183.13878	5.1
193.12285	1.0
211.13361	100.0
212.13707	6.1
235.08203	1.9
242.72641	0.4
253.09291	6.1
277.21680	56.8
278.22037	5.3
429.21118	1.0
447.22244	7.7
448.22635	0.9
493.06851	0.4
513.30902	0.6
670.04541	0.6
767.41327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98826	11.0
63.34679	0.3
69.26003	3.5
71.01362	1.7
72.99291	0.5
73.02924	0.4
80.02671	0.5
81.03452	1.1
83.05022	4.1
84.02139	0.4
85.02943	0.5
88.98814	0.7
89.02425	1.5
93.03461	1.7
95.05006	0.5
96.95995	1.9
97.02926	0.4
101.02421	1.2
113.02441	1.1
125.06061	0.6
135.08171	0.8
137.02414	1.9
145.02904	0.5
147.53787	0.3
161.04565	0.6
163.11241	3.0
165.12759	2.0
171.10217	0.7
179.05637	0.5
181.12402	0.6
189.09308	0.4
189.51775	0.3
191.10780	0.9
193.01241	0.3
209.11803	100.0
210.12140	6.7
227.12866	14.2
228.13237	1.3
235.08105	1.9
247.13191	0.6
253.09233	4.8
428.63397	0.3
445.20712	3.7
446.20996	0.6
463.21875	0.4
523.29364	0.4
637.32355	0.9
765.29437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.9
61.26156	0.7
61.98816	2.2
63.96219	1.8
69.03432	1.0
70.73541	0.6
70.83964	1.7
71.01369	9.1
73.02934	2.3
74.40599	0.6
78.98575	7.2
79.95734	13.0
80.96510	74.8
85.02947	2.9
87.00871	2.3
94.98082	17.5
96.96025	1.1
97.02940	2.4
99.00876	0.9
101.02438	3.5
106.98064	2.8
113.02466	0.6
122.97576	3.8
125.02466	3.1
125.20446	0.6
127.03998	1.0
134.97571	6.7
136.99138	1.7
148.99080	6.9
152.98634	6.0
164.98599	13.7
199.02026	0.6
206.99562	3.8
209.11810	2.8
225.00717	23.0
226.01086	1.0
255.23309	1.5
293.92010	0.8
368.85992	0.7
404.93781	0.8
509.16644	3.4
537.27405	1.5
571.68475	0.7
765.40906	100.0
766.41241	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	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
59.76035	0.2
60.99301	17.1
61.98812	1.0
71.01386	0.6
71.62839	0.4
82.86819	0.2
87.00865	3.5
88.00395	3.7
88.01184	0.3
88.98799	100.0
89.02433	37.9
89.99148	0.9
90.02770	0.6
101.02436	0.3
113.85259	0.2
119.03478	0.2
201.60115	0.2
277.21774	1.1
292.39804	0.2
299.33252	0.2
340.69388	0.2
397.13422	2.9
415.14526	0.8
416.14728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
59.16851	0.3
60.99301	17.5
61.98817	1.7
63.13556	0.3
63.34349	0.3
68.47353	0.3
71.01377	0.4
76.57616	0.3
77.66908	0.3
86.94439	0.3
87.00874	2.0
88.00391	3.5
88.01206	0.4
88.98798	100.0
89.02434	21.8
89.99145	0.8
90.02776	0.4
96.96012	0.4
101.02454	0.6
130.52597	0.3
145.33118	0.3
153.18538	0.3
202.12366	0.3
208.08052	0.3
239.26440	0.3
277.21677	0.9
325.16867	0.3
339.60675	0.3
353.84396	0.3
397.13535	2.0
415.14822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06673	0.2
59.01376	12.9
60.01717	0.3
61.16362	0.2
69.46432	1.0
71.01388	1.5
73.02950	0.2
76.73503	0.2
80.91544	0.2
83.01365	0.3
83.82433	0.2
85.02942	0.7
85.07242	0.2
89.02412	0.8
93.78901	0.2
96.95991	0.2
98.19868	0.4
101.02448	1.0
108.02161	1.2
113.02451	0.6
119.03515	0.4
119.05016	1.9
120.99650	0.4
121.02946	1.5
122.03720	0.2
123.04518	1.8
123.36728	0.2
124.01665	1.0
125.02444	0.8
129.03278	0.2
130.76476	0.2
134.03726	0.8
135.04523	6.6
136.05296	9.6
137.02467	0.2
137.05612	0.6
149.06105	0.2
150.03169	0.7
151.03998	1.9
151.07629	3.2
161.04535	0.4
161.98146	0.2
162.03201	2.9
167.03470	0.2
177.05559	5.4
178.05888	0.4
179.05594	0.2
185.69487	0.2
191.05513	0.2
193.04987	0.5
194.05515	0.4
195.06606	100.0
196.05125	0.3
196.06950	5.6
210.67249	0.2
237.07808	0.2
357.11865	27.2
358.12189	2.5
399.10724	0.2
539.63098	0.2
605.20795	0.2
763.24048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16277	0.2
61.98824	100.0
80.96515	1.3
94.98081	0.4
98.19837	0.4
121.37291	0.2
148.99205	0.2
194.71643	0.2
209.11983	0.3
225.00725	0.5
229.12563	0.2
256.23639	0.2
365.02835	0.2
735.17627	0.2
765.40704	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	99.2
68.57178	26.3
69.75950	64.2
69.76366	100.0
71.01406	36.3
85.08508	27.3
85.22916	24.7
98.20589	57.0
114.90617	25.6
150.96107	32.3
194.26671	29.2
209.11778	28.7
257.87076	29.2
277.21695	88.7
279.23422	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	761.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09245	3.9
61.98826	15.8
63.13323	3.9
70.76250	10.6
70.76611	4.9
184.09538	4.6
205.97661	4.1
209.11809	100.0
210.12192	7.0
227.12852	17.1
253.09091	6.7
255.23181	6.2
277.21689	7.2
279.23257	62.4
280.23642	6.1
445.20648	12.2
761.42352	39.8
762.43109	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	761.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33914	4.7
61.98834	24.3
63.61037	4.7
70.56573	4.3
92.92784	5.8
103.98734	4.3
161.71634	5.0
209.11792	57.1
209.81654	4.9
210.12131	5.4
213.81607	4.3
227.12785	12.3
235.08163	12.3
255.23225	4.8
279.23254	100.0
280.23517	10.2
311.29471	5.1
342.81305	5.5
406.99435	4.6
500.69327	4.2
622.49908	4.9
761.42072	26.0
762.43427	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	759.409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	29.9
63.65298	13.3
71.61747	24.4
74.22693	13.4
80.96508	15.9
88.99033	13.8
94.20752	12.6
96.95994	24.2
100.02364	14.9
174.04506	14.6
189.18950	16.0
199.13388	18.8
209.11795	58.0
221.30055	15.7
227.12837	79.2
253.09262	36.7
277.21634	100.0
334.86133	14.9
389.44852	15.6
463.21844	20.6
723.43091	37.4
759.41254	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84951	0.9
59.01375	8.0
61.98508	2.0
61.98821	24.2
64.81187	1.0
69.03471	1.4
69.17464	0.9
71.01365	4.0
71.30182	1.0
71.62971	2.0
73.02937	1.1
74.07534	1.1
77.96965	1.1
83.05013	5.6
84.02168	1.3
87.00896	1.5
88.98797	2.6
89.02425	2.9
95.04994	1.2
96.96020	4.0
101.02437	2.1
109.06509	1.0
113.02444	2.0
125.02470	2.0
163.11333	5.5
165.12819	2.4
167.10733	2.4
171.10257	1.6
179.14384	2.1
195.13867	7.1
205.12347	8.5
209.11794	100.0
210.12132	8.0
211.13330	1.4
223.13356	82.3
224.13777	6.0
227.12842	18.4
235.08214	4.1
253.09232	8.8
376.98248	1.4
424.16013	1.2
441.21182	1.7
445.20770	5.0
459.22308	13.7
460.22650	3.4
623.35382	1.3
633.32916	3.1
651.33850	6.7
652.33850	3.1
721.40179	1.4
775.89124	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.89077	0.4
57.03426	1.0
58.00600	0.6
59.01375	7.5
67.01884	1.0
68.32232	0.4
68.99798	1.2
69.03445	0.9
71.00992	0.5
71.01379	7.7
72.01760	0.4
72.99307	2.5
73.02939	0.9
75.00861	8.1
75.25632	0.4
83.01360	0.6
85.02939	10.1
87.00854	3.0
89.02451	1.8
91.04010	0.5
93.03443	0.8
95.01372	3.2
96.96022	0.5
99.00861	5.6
101.02425	0.5
103.00328	0.8
109.02920	0.6
110.07074	0.4
111.00880	0.5
111.04479	0.8
113.02432	12.1
115.00337	1.2
117.01945	1.3
118.37966	0.3
121.02943	49.5
122.03242	2.1
125.02427	0.7
129.01906	0.8
157.01399	0.6
175.02449	1.3
188.57588	0.4
189.04062	0.7
231.05055	4.1
249.06111	33.8
250.06490	1.8
281.65979	0.5
353.08746	1.0
371.09766	100.0
372.10110	11.0
373.10071	0.4
381.19217	0.5
549.15802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42999	0.6
54.35072	0.5
59.01371	3.6
60.25761	0.7
61.98826	5.1
63.02386	0.7
63.96227	0.5
65.00331	0.8
70.94588	1.7
70.94957	0.5
71.01382	1.4
73.77123	0.5
82.95412	0.8
83.01347	0.9
85.02965	0.6
88.98772	0.8
93.03440	1.0
96.96001	10.9
98.95593	1.1
101.02441	0.9
107.01376	1.4
117.03455	28.5
118.03822	0.8
119.05005	7.2
121.02966	0.8
125.02439	0.7
135.45938	0.6
141.01683	1.2
145.02937	64.8
146.03236	3.6
149.02434	1.4
151.00423	0.9
159.04469	1.2
161.02400	1.3
163.04004	3.7
183.04645	0.6
225.05469	1.6
268.03821	2.9
269.04510	100.0
270.04849	8.5
341.23111	1.0
453.11792	3.2
559.12512	1.3
577.13745	2.3
601.36499	0.7
723.17078	69.9
724.04608	1.2
724.17413	19.9
759.40631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34409	1.7
59.01368	13.2
59.59871	2.1
60.88427	1.7
61.98806	9.8
71.01376	92.2
71.32410	2.8
73.02940	2.2
78.95904	2.7
88.48431	1.7
88.98790	2.7
89.02428	3.6
93.09450	1.6
97.02960	2.1
99.00907	3.5
99.40536	1.6
101.02414	4.4
109.06573	6.1
113.02446	2.7
127.11214	2.5
137.09697	2.8
138.15727	2.0
163.11337	4.3
171.10248	100.0
172.10565	5.9
173.33281	1.9
177.97037	1.6
179.05640	2.1
181.08672	2.2
199.09717	18.5
199.13440	3.6
200.10004	1.9
201.11279	17.7
207.10228	23.9
209.11902	2.5
225.11282	17.9
243.12234	3.1
253.09239	16.0
277.21692	77.4
278.21957	6.1
435.18671	2.6
461.20044	5.4
493.59778	1.9
592.40076	2.1
695.39813	2.2
721.41443	4.2
757.43152	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	757.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	25.5
78.95901	9.5
84.38092	7.6
98.19737	16.1
129.08929	8.0
207.10309	12.9
208.26332	8.6
209.11819	10.6
225.11301	38.8
277.21677	50.6
381.69406	8.1
461.20459	40.2
721.41846	35.2
757.39069	100.0
758.39673	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.5
59.78261	7.9
61.98825	47.0
63.74570	9.4
71.57741	12.5
75.00866	100.0
83.70077	7.1
88.98778	12.1
104.99170	8.0
106.82629	8.4
207.10298	16.0
225.11307	27.1
241.66948	8.2
277.21664	44.6
277.31943	10.1
443.19302	9.1
499.73904	10.4
633.46552	9.5
721.41974	18.8
722.42657	11.0
757.39417	63.1
758.38885	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	757.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
57.03438	1.4
58.00595	2.2
59.01373	47.4
60.01699	1.0
61.98813	1.8
69.34645	3.0
69.35068	5.4
71.00985	1.6
71.01374	31.7
72.99283	1.8
73.02946	1.8
83.01363	2.9
85.02947	7.6
87.00853	3.2
88.98775	1.4
89.02436	21.6
90.68104	1.0
93.03459	6.1
95.01346	2.3
96.96011	6.0
97.30437	1.1
98.20567	2.3
99.04505	34.6
100.04873	1.0
101.02427	14.4
103.54809	0.9
108.02136	1.3
111.04531	2.3
113.02435	11.1
117.03456	13.4
119.03505	6.3
119.05009	81.1
120.05328	3.7
121.02948	7.2
121.06559	1.4
123.04476	2.2
125.02389	1.4
131.04974	2.7
132.05815	7.2
133.06583	28.8
134.03728	1.1
135.04498	2.2
137.02390	1.8
145.02934	75.3
146.03300	1.8
147.04472	3.6
149.06055	1.4
151.00346	2.5
151.03926	1.5
159.04469	2.6
161.02370	1.3
161.06064	59.5
162.03284	1.4
162.06366	3.9
163.03996	85.1
164.04321	3.5
165.05489	1.0
165.47591	1.0
175.04022	1.1
176.04889	1.2
177.01985	0.9
177.05547	26.0
179.03342	1.3
179.05632	1.8
187.03972	5.1
189.12794	8.4
191.07101	1.0
193.05008	1.0
195.06554	1.5
205.05031	61.0
206.05353	4.1
207.13861	48.9
208.14136	3.2
209.08110	1.2
219.85489	1.0
233.11839	2.6
233.50108	1.0
235.06075	26.4
236.06316	1.2
243.96103	0.9
251.12846	100.0
252.13171	7.6
265.07135	62.5
266.07434	2.6
269.13931	3.4
285.03842	1.6
287.05585	1.6
325.09241	24.9
326.09555	2.3
331.55478	1.1
387.20044	1.5
389.11844	1.1
431.19138	79.0
432.19400	10.5
449.19971	1.3
533.23724	2.4
535.90192	1.0
577.22772	87.5
578.23169	16.9
595.14691	2.4
595.24164	2.6
611.25409	13.3
612.26074	2.2
757.29120	99.3
758.29468	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00568	1.5
58.99588	1.8
59.01095	2.1
59.01373	36.1
70.75410	3.2
71.01371	24.0
72.99295	2.4
73.91914	1.2
74.99084	1.3
80.96512	1.7
85.02924	5.1
87.00880	1.4
89.02433	18.6
93.03442	15.1
96.95434	1.8
96.96004	24.8
99.04505	21.6
100.03719	1.4
101.02441	8.7
102.98580	20.2
104.94929	1.2
105.47546	1.3
111.04504	1.8
113.02449	8.5
117.03465	10.7
119.03492	4.6
119.05015	59.1
120.05307	2.1
120.99602	2.5
121.02949	100.0
122.03241	1.9
123.04514	88.5
124.04790	2.7
125.37079	1.5
131.04988	3.1
132.05774	3.0
133.05847	1.5
133.06596	18.0
145.02943	52.0
146.03294	4.2
147.04456	3.2
148.05302	8.0
159.04462	1.4
161.06064	40.5
162.06389	3.2
163.00612	1.5
163.03998	60.9
163.07590	5.7
164.04335	3.8
167.03482	2.4
177.05528	16.3
184.15491	1.5
187.04012	4.0
189.12883	6.3
205.05011	40.4
206.05301	2.2
207.11983	2.1
207.13873	35.6
208.14127	2.3
209.11761	1.9
235.06078	15.5
251.12833	69.4
252.13142	6.0
265.07141	43.2
266.07407	2.9
269.14001	2.7
325.09204	14.8
431.19141	55.8
432.19400	5.3
577.22821	56.3
578.22980	10.4
596.59094	1.5
611.25360	6.8
622.78455	1.5
757.29059	79.5
758.29462	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	755.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03447	0.4
58.00609	0.4
59.01374	4.5
61.81688	0.2
61.98835	0.4
69.03453	0.5
69.70248	1.5
71.01375	3.7
71.05009	0.4
71.62479	0.2
73.02950	0.8
80.02670	1.3
81.03457	1.0
83.01363	0.3
83.05019	4.7
84.02168	0.9
85.02957	1.0
87.00880	0.5
88.83125	0.2
89.02440	2.8
95.05032	0.8
96.96004	1.0
97.02951	2.0
97.06599	0.7
101.02439	3.5
109.06577	0.7
111.08150	4.0
112.23003	0.2
113.02454	1.8
116.67945	0.2
119.03515	0.4
123.08177	0.3
125.06091	0.3
125.09737	0.5
135.08134	0.7
137.09727	0.7
143.03445	0.3
145.05074	0.4
151.11313	0.4
153.12801	0.5
161.04532	1.5
163.11272	4.2
164.11613	0.3
165.12839	3.1
169.12317	1.7
171.10225	2.6
179.05569	0.7
179.14337	0.3
181.12360	1.5
183.13870	0.4
185.11746	0.3
191.10809	0.8
191.14319	0.3
193.12314	0.6
197.11815	20.6
198.12251	1.3
199.13376	1.3
209.11809	100.0
210.12137	5.6
211.13393	3.6
212.13666	0.6
223.13145	0.4
225.11377	0.5
227.12880	12.5
228.13124	0.8
233.15340	0.3
235.08182	2.6
247.20673	1.0
253.09265	13.7
254.09630	0.6
263.20135	1.0
265.18027	0.3
273.18707	1.4
291.19638	20.4
292.19864	1.6
293.21201	0.8
309.20685	43.8
310.21060	4.8
373.91095	0.3
445.20844	1.2
501.32257	0.4
527.28412	0.5
545.29749	0.7
603.77087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50567	0.4
59.01379	10.9
61.98816	0.6
62.13301	0.5
62.38828	0.5
63.39886	0.5
64.73177	0.5
71.01370	2.0
71.62488	0.7
83.04986	0.6
85.02942	0.7
89.02428	1.2
101.02433	1.8
113.02431	0.8
132.77162	0.6
148.16202	0.5
153.12856	1.0
161.04465	1.1
169.12315	4.6
196.34251	0.5
197.11804	100.0
198.12132	6.7
235.08186	1.9
253.09247	5.4
277.21686	48.3
278.22067	5.5
398.61505	0.5
415.19583	1.4
416.20432	0.6
433.20728	9.0
434.21106	1.2
536.51105	0.7
686.93793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26789	29.8
61.98814	100.0
108.64951	29.8
215.15964	37.1
217.63055	30.5
223.13243	42.1
255.23053	39.9
357.54498	30.4
443.39328	28.6
568.82751	35.4
590.27496	31.9
601.42859	32.4
718.62256	30.9
742.22565	32.6
787.70142	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
56.48273	0.2
56.99742	0.2
57.03436	0.5
58.00286	0.2
58.00570	0.5
58.52423	0.2
58.60372	0.2
59.01369	3.5
64.32783	0.2
69.03437	0.8
71.01373	3.0
71.05001	0.2
71.58472	0.4
73.02941	0.9
80.02667	1.0
81.03437	1.1
82.00197	0.2
83.01388	0.4
83.05013	4.6
84.02162	0.7
85.02935	0.8
87.00870	0.7
89.02433	2.3
95.01402	0.3
95.05014	0.7
96.96025	0.5
97.02927	0.8
97.06584	0.4
101.02438	3.1
109.06579	0.7
111.08147	4.2
113.02429	1.6
113.05966	0.3
119.03478	0.6
125.02400	0.3
125.06043	0.3
127.07629	0.5
133.05022	0.3
135.08131	0.6
137.09671	0.5
143.03517	0.4
145.05038	0.6
151.11275	0.5
153.12772	0.6
161.04498	1.4
163.11269	3.9
164.11594	0.3
165.12827	2.3
169.12318	2.2
171.10240	1.5
179.05574	0.6
179.10678	0.3
181.12347	1.4
183.13908	0.4
185.11797	0.2
191.10738	0.7
193.12289	0.3
197.11801	25.9
198.12108	1.5
199.13329	1.7
209.11797	100.0
210.12131	6.6
211.13333	3.6
217.93774	0.2
225.11247	0.4
227.12848	14.2
228.13130	1.0
235.08212	3.4
247.16985	0.3
247.20622	0.4
253.09239	13.6
254.09540	0.7
263.20163	1.6
265.18115	0.4
273.18463	0.7
275.19864	0.2
291.19620	13.8
292.19888	1.2
293.21262	0.9
309.20670	40.8
310.21030	4.6
366.34735	0.2
433.20688	0.3
445.20532	1.3
501.32202	0.5
519.33704	0.3
519.62146	0.2
520.16913	0.2
527.28223	0.4
545.29578	0.9
546.29736	0.2
607.16333	0.2
669.22668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03430	1.0
59.01369	5.0
60.15297	0.4
61.98812	1.5
71.01377	4.1
71.05012	0.4
71.62241	0.5
73.02937	0.7
80.02657	1.4
81.03444	2.7
83.01386	1.4
83.05019	5.2
83.74123	0.4
84.02155	0.9
85.02932	1.3
87.00864	1.1
89.02442	2.1
93.03451	0.5
95.01368	0.7
95.05011	1.3
96.95992	1.7
97.02914	1.9
97.06575	2.1
101.02435	3.7
106.04194	0.5
108.02052	0.4
109.06576	2.0
111.08145	0.6
113.02429	1.5
119.03494	0.9
121.06610	0.6
123.04505	1.3
123.08130	1.2
125.02434	0.7
125.06073	0.9
125.09700	3.0
135.08141	1.3
137.09695	0.9
141.12776	0.5
149.06136	0.6
161.04501	1.4
161.09694	0.7
163.07564	0.6
163.11259	7.2
164.11627	0.4
165.09152	0.4
165.12839	3.1
171.10204	2.4
181.12328	1.0
185.11789	3.6
191.10756	1.3
191.14365	3.6
197.11774	2.2
197.35411	0.4
207.10239	6.3
208.10516	0.5
209.11801	100.0
210.12137	6.9
211.13376	0.9
225.11281	4.6
227.12852	11.0
228.13081	0.7
235.08138	2.1
237.11259	1.7
245.19095	7.6
246.19313	0.8
251.12851	0.4
253.09267	12.2
253.11784	0.8
254.09572	0.8
263.20081	2.4
271.17032	1.5
281.21136	0.5
289.18054	33.6
290.18329	3.1
291.19571	2.4
293.21182	1.4
307.19113	30.3
308.19400	3.4
309.20761	3.3
345.20599	0.4
401.23523	0.8
403.28296	0.4
419.24500	0.9
438.32175	0.4
445.20700	0.9
455.14124	0.4
499.30588	1.1
525.27112	0.6
543.27692	0.8
572.08667	0.4
637.32117	1.4
734.16101	0.4
735.40094	1.6
753.40350	5.3
754.40753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
61.98829	1.3
67.25327	0.2
69.32323	1.7
71.01364	1.0
72.99300	2.5
75.00867	100.0
76.01206	1.3
85.02950	0.3
89.02446	0.8
96.96009	0.4
97.02961	0.3
101.02454	1.0
113.02440	0.4
119.03496	0.3
125.02426	0.6
130.24037	0.2
161.04581	0.3
171.10300	0.3
179.05664	0.3
209.11752	0.5
235.08215	0.5
253.09291	0.3
271.33057	0.2
277.21655	2.9
278.22076	0.3
305.09012	0.2
317.07123	0.2
323.09882	0.2
397.13440	6.0
398.13806	0.5
403.47842	0.2
404.98642	0.2
415.14426	2.0
615.11456	0.2
675.36493	0.3
687.44586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
61.91624	0.1
61.98825	100.0
62.98533	0.2
71.01387	0.2
73.02943	0.1
85.02998	0.1
92.56009	0.1
93.03448	0.1
96.96004	2.1
101.02421	0.1
109.02963	0.1
113.06092	0.1
116.92869	0.2
121.02977	0.3
123.04532	0.4
125.02448	0.3
137.02470	0.1
145.02986	0.1
165.01988	0.1
167.03494	0.4
175.03998	0.1
199.84094	0.1
207.10277	0.1
209.11807	0.5
210.12245	0.1
225.11221	0.1
227.12805	0.1
299.10254	0.1
329.23196	0.1
487.14114	0.2
529.15399	0.2
655.18054	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	753.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
57.43826	0.3
67.60666	0.3
71.61282	0.3
71.61688	0.4
75.89498	0.3
76.22092	0.3
79.95727	7.3
80.96539	0.8
83.01380	0.3
85.02924	0.4
93.03452	0.8
95.95217	0.4
96.96001	100.0
97.95949	0.4
98.95633	0.3
101.02424	0.4
107.04988	0.4
109.02916	0.4
116.52790	0.3
118.24577	0.3
121.02954	2.2
123.04515	3.0
124.01663	0.4
125.02434	5.1
126.02761	0.6
135.04506	0.4
137.02423	0.9
138.97049	2.3
139.04015	0.4
149.02425	0.7
151.03975	0.7
154.27774	0.3
165.02017	0.3
167.03476	0.9
175.04004	0.4
177.01874	3.8
178.02251	0.6
191.05635	0.3
203.00197	2.9
243.03021	0.9
259.01291	3.1
261.04041	0.6
281.04044	0.4
287.05222	0.4
289.07135	1.3
290.07440	0.4
290.41278	0.3
303.04956	0.7
365.05405	85.0
366.05740	6.9
407.07370	0.4
484.99341	0.4
617.31946	0.3
693.81250	0.3
753.09589	3.3
754.10571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86143	0.1
54.07019	0.1
56.80408	0.1
58.75579	0.1
59.01368	0.2
60.41352	0.1
61.60347	0.1
61.98822	0.6
71.62405	0.1
78.95892	1.1
79.95737	3.7
86.08456	0.1
96.96005	100.0
97.95958	0.4
103.88454	0.1
107.88004	0.1
209.11713	0.1
209.70135	0.1
213.06532	0.1
218.52252	0.1
279.22995	0.2
293.63974	0.1
385.19006	0.1
405.03754	0.2
453.09198	0.2
555.09930	0.1
618.92365	0.1
691.32501	0.4
760.00995	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	751.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
59.01370	0.4
65.03943	0.5
65.57760	0.2
69.09681	0.2
71.01361	2.0
71.61935	0.3
73.02942	0.5
75.00902	0.3
83.01366	0.6
85.02959	1.2
87.00900	0.3
89.14542	0.2
93.03447	48.0
94.03780	1.5
95.01377	0.4
95.05005	0.6
96.95996	0.4
97.02924	0.5
101.02440	0.8
109.02934	1.9
113.02448	0.6
119.05023	0.5
120.99636	0.7
121.02937	0.7
123.00819	0.3
123.04494	1.7
125.02436	5.4
130.88399	0.2
133.03043	0.3
135.04520	0.4
137.02428	100.0
138.02760	4.0
139.03949	0.4
139.27562	0.2
145.02956	0.3
146.03796	0.3
149.02428	1.1
151.04012	1.2
159.04430	0.2
161.02406	0.6
161.04590	0.4
161.06050	0.9
163.03983	0.4
164.01103	0.4
165.01906	0.9
167.03458	1.1
175.03955	0.8
177.01883	2.4
179.03450	0.8
187.03957	0.9
188.04781	0.3
191.05592	1.1
203.07140	1.6
205.05061	1.4
217.04878	0.3
221.08086	0.3
238.52797	0.3
243.02995	0.9
245.08130	3.0
261.03925	0.3
285.03845	0.5
289.07141	27.1
290.07526	2.7
299.07678	20.0
300.07965	1.8
303.05026	0.4
305.06238	0.2
313.07114	0.3
450.76312	0.2
451.12350	4.6
452.12607	0.7
576.97192	0.3
615.10205	0.3
629.22363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.8
65.00299	0.7
71.01360	0.7
71.39241	0.7
75.43360	0.5
81.22782	0.4
83.01369	0.6
89.02434	0.5
96.96005	0.9
101.57230	0.4
102.35043	0.4
105.01826	0.5
107.01379	1.6
108.02148	1.0
109.02950	0.8
112.23521	0.4
120.99639	11.6
121.02937	0.9
125.02432	0.5
126.14767	0.4
135.00916	0.4
138.77350	0.4
139.03964	0.4
147.03000	0.6
148.01662	1.1
151.00356	6.1
161.02458	0.5
163.00330	1.9
178.99869	3.9
190.99788	0.5
191.05612	1.5
201.11284	1.4
207.06604	0.4
211.03862	0.7
226.02728	1.2
227.03442	1.2
228.81485	0.5
229.04839	0.6
243.02966	4.7
243.12361	1.0
244.03557	0.7
245.04593	0.7
254.02150	1.3
255.02943	13.6
256.03323	1.3
271.02444	29.7
272.02863	2.9
273.04007	0.9
285.03894	0.6
299.01846	0.6
300.02707	68.8
301.03430	35.3
302.03952	2.4
442.75177	0.5
463.08759	100.0
464.09085	13.4
686.52881	0.5
691.62146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
59.01369	2.3
63.02397	0.4
65.00313	0.7
69.38334	2.1
71.01381	1.6
71.38052	0.3
72.99310	0.3
74.02444	0.6
75.00868	0.9
77.61581	0.3
83.01388	0.6
85.02928	2.7
85.06560	0.4
87.00866	0.7
87.50497	0.3
89.33614	0.3
95.01372	0.8
96.95986	1.0
98.20635	0.5
99.00871	1.0
103.00359	0.5
107.01371	1.3
109.02915	0.5
113.02441	2.0
113.85033	0.3
116.05039	0.3
121.02925	0.7
122.35658	0.3
129.01924	0.6
131.07127	1.7
132.96144	0.3
133.02927	4.8
149.02417	1.3
151.00357	3.2
173.08134	1.1
175.03925	1.9
180.49371	0.3
197.06165	0.4
198.03247	0.5
199.03999	1.8
201.01933	0.8
203.08307	0.7
213.05350	0.4
217.04997	1.0
229.04962	0.4
239.03517	0.3
240.04106	0.3
241.04927	0.7
243.03052	0.6
245.09244	1.2
257.04578	0.3
284.03238	0.4
285.03995	100.0
286.04346	8.7
286.34958	0.3
289.07480	0.7
297.03821	0.5
298.04556	0.3
299.05157	0.3
327.05014	1.3
357.06107	0.8
381.06122	0.5
392.08743	0.3
452.65472	0.3
461.07166	51.6
462.07565	6.6
655.89526	0.3
666.30548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00021	0.4
53.06312	0.5
53.64193	0.5
55.86073	0.5
59.01361	2.3
65.00336	1.0
69.66890	3.5
72.99293	0.6
85.02960	0.8
86.14869	0.5
89.02479	0.6
96.95997	3.9
107.01393	1.4
109.02898	0.7
115.23547	0.6
120.99641	0.7
121.02936	2.6
125.02406	2.3
133.02948	2.1
134.03726	0.6
143.08064	0.6
149.02429	0.8
151.00313	3.9
163.04083	0.6
170.82024	0.5
175.03941	1.3
177.01823	0.9
178.99706	0.6
187.03864	0.9
191.05606	1.5
199.03914	1.7
217.05080	1.3
227.03542	0.9
256.03830	1.7
269.04620	0.6
284.03235	40.0
285.03995	85.5
286.04327	8.0
295.04504	0.8
301.03525	2.2
302.03751	1.3
303.04608	1.0
303.09018	3.0
419.59473	0.6
438.22443	0.6
447.09265	100.0
448.09631	13.9
616.36554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76517	1.9
59.01373	100.0
61.98808	4.6
64.29968	1.6
69.70206	10.9
77.61208	1.9
78.95920	1.9
106.05661	1.7
186.58789	1.8
206.31735	2.0
417.57864	2.0
419.92148	1.8
455.17398	2.7
456.17477	2.1
473.18216	3.9
483.13235	1.9
512.12939	8.9
513.13654	3.3
526.14789	9.1
527.15283	4.0
591.48529	2.6
601.19159	4.8
613.19171	2.4
614.20081	87.2
615.20404	22.8
632.16907	2.0
646.19128	10.2
647.20306	3.7
667.66327	2.1
687.23065	4.6
747.25122	66.6
747.38428	4.0
748.25385	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	24.8
70.75518	2.6
71.01373	15.3
83.01402	1.1
85.02973	2.1
87.01991	1.1
89.02427	20.3
101.02434	12.1
113.02416	8.7
119.03501	8.4
136.38464	1.4
141.35606	0.9
142.60272	0.9
143.03503	2.7
161.04549	2.4
179.05557	9.3
225.22122	3.2
271.22668	1.5
278.24951	1.4
296.25797	1.5
370.48569	1.2
389.44226	1.2
394.78006	1.3
532.47418	13.1
533.47675	2.9
550.48450	7.6
712.53552	100.0
713.53925	27.9
713.65753	2.2
748.51294	32.6
749.51398	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99598	14.8
59.01375	2.4
71.22353	0.4
74.99084	2.2
82.06450	0.4
93.25589	0.5
96.95988	3.3
102.21230	0.5
102.98586	100.0
103.98909	1.5
120.99631	4.0
125.02455	1.2
137.02422	0.6
163.00690	11.5
167.03461	1.1
177.01839	0.7
178.02710	0.9
179.03435	0.7
184.20587	0.5
193.05060	0.9
194.05779	0.7
195.06560	1.0
209.08234	0.7
313.11465	0.5
537.21289	0.5
585.24280	0.7
747.26837	1.5
777.03076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29057	28.6
61.98812	90.6
70.51874	71.4
70.52191	29.6
78.95891	89.4
88.56898	24.6
104.72331	33.3
112.48064	29.8
122.44547	32.2
132.96754	26.1
152.99525	54.9
167.41228	26.3
201.64685	28.4
211.13348	100.0
253.21538	33.4
277.21695	77.3
279.23166	95.8
405.14764	32.3
645.83575	30.3
743.45081	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.1
60.70252	1.2
68.41677	1.4
70.04262	3.1
70.04660	2.6
78.95895	39.5
96.14358	1.1
96.96926	4.4
98.19949	1.8
152.98329	2.5
152.99577	46.5
171.00607	3.5
175.38220	1.4
199.92093	1.5
227.03223	4.1
241.28040	1.3
245.04227	2.0
253.21698	29.3
254.22018	3.1
255.23286	8.3
277.21552	7.8
279.23260	100.0
280.23560	12.2
335.93042	1.6
339.08008	1.5
363.71649	1.2
415.22443	2.7
506.25519	1.6
507.27225	91.7
508.27664	12.2
743.48639	45.4
744.48767	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	745.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06074	0.6
59.01389	1.9
61.98844	1.1
63.76101	0.6
71.01407	2.6
71.62954	0.8
72.99328	0.6
73.02978	1.0
74.99142	0.8
79.95763	0.8
85.02966	1.2
87.30387	0.6
89.02444	1.5
93.03441	4.4
95.01392	0.8
95.05025	1.2
96.96000	7.8
101.02448	0.9
108.02149	1.6
109.02963	1.8
113.02460	1.3
120.91063	0.7
121.02939	15.1
122.03725	17.1
123.00906	0.8
123.04517	1.5
124.01657	2.0
125.02447	2.3
132.02190	1.3
133.02945	2.7
134.03712	1.1
135.04515	8.8
136.01660	15.2
137.02501	3.5
139.04036	0.7
145.02968	1.5
145.08733	0.8
147.04517	2.0
149.02429	33.7
149.06111	1.4
150.03210	100.0
151.00377	3.5
151.04001	22.1
152.01126	2.4
152.04396	0.9
153.01872	0.7
160.05290	1.1
161.02393	1.0
161.04572	0.7
161.06030	1.0
162.03259	1.3
163.03963	3.6
164.04787	6.5
165.05548	96.8
166.02693	14.0
166.04031	1.1
166.05862	5.5
167.03523	3.5
172.05270	1.3
174.03239	1.0
175.03949	6.2
175.07576	0.7
176.04701	0.7
177.01941	1.8
177.05571	2.3
179.07170	1.2
179.26768	0.8
180.04272	6.7
181.03416	1.2
181.05035	19.5
187.07712	1.1
189.05539	3.5
190.06316	7.5
193.04977	1.0
195.06596	59.4
196.06964	2.8
198.94905	0.6
203.07156	0.7
205.08682	1.8
221.08286	1.6
266.05612	1.1
279.06396	0.9
282.04907	1.0
289.11066	2.3
297.07440	0.9
315.08649	2.8
325.10715	1.2
329.10297	3.2
337.57455	0.7
341.13812	1.0
355.11694	0.8
356.12497	2.0
357.09592	3.3
357.13287	8.3
358.13797	0.8
369.13437	1.0
372.12073	3.5
373.12537	2.4
375.62354	0.7
386.13513	1.9
387.14444	45.8
388.14749	5.5
490.16086	1.2
505.18811	3.7
506.18460	0.8
520.17047	0.9
535.19672	72.6
536.20007	14.0
553.20520	1.8
565.21033	3.2
566.21411	1.0
583.21765	49.2
584.21973	12.0
745.27893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02684	0.2
57.03434	0.4
59.01374	1.0
59.65792	0.2
60.99297	0.9
65.96072	0.3
67.01883	3.1
69.03451	0.9
69.81451	1.3
71.01373	1.8
73.02953	0.4
77.72946	0.2
81.03445	0.7
83.05013	0.6
85.02941	3.7
87.00859	4.6
89.02436	0.3
93.03448	20.5
94.03777	0.8
96.95998	0.4
99.00864	0.5
99.04495	0.5
101.02408	0.5
109.02922	0.5
111.04501	3.4
115.04041	0.2
119.05016	6.9
120.05357	0.2
125.02469	0.5
127.04043	1.2
129.01953	0.9
133.02928	0.4
134.03687	0.2
137.02440	0.7
145.02904	1.3
155.03465	1.0
161.02415	0.3
163.03986	7.7
164.04333	0.3
171.02979	0.3
173.04521	14.2
174.04747	0.3
181.05035	0.4
191.05583	100.0
192.05942	4.1
193.05000	0.3
219.05373	0.2
221.04482	0.6
225.87465	0.2
337.09241	42.1
338.09479	3.8
338.13193	0.3
353.08600	1.0
459.15561	0.2
551.61658	0.3
622.77899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
57.03420	0.5
57.74121	0.4
58.00577	0.9
59.01373	25.5
61.98818	3.4
65.55380	0.4
65.72072	0.4
68.61283	0.4
68.99807	0.6
69.03442	1.3
71.01374	22.9
72.99284	1.8
73.02942	4.1
73.89856	0.5
78.95885	0.8
81.03455	0.8
83.01384	1.9
84.18456	0.5
85.02943	4.2
87.00861	5.7
89.02432	20.0
95.01363	1.4
97.02931	4.3
99.00858	1.3
101.02435	19.1
102.23541	0.5
106.86868	0.5
111.00924	0.7
111.04512	0.8
113.02434	8.5
115.03986	0.6
119.03486	4.9
125.02426	9.0
125.09660	0.6
131.03490	0.9
133.05089	0.7
134.55746	0.5
137.02419	0.5
139.03987	0.8
143.03461	2.8
149.04549	0.8
152.99529	1.0
154.98537	0.4
161.04538	4.2
162.29709	0.4
167.03441	0.6
171.10158	0.7
179.05598	4.0
209.11789	2.1
217.07242	0.6
221.06625	1.2
225.11427	0.6
227.12958	0.6
235.08189	9.5
236.08559	0.6
253.09254	2.2
255.23311	0.8
263.07666	0.8
277.21640	1.5
279.23157	1.5
279.78705	0.5
283.26385	64.9
284.26730	7.6
287.07666	3.4
305.08768	3.2
323.09857	1.4
397.13443	100.0
398.08893	0.8
398.13757	10.2
398.18445	0.9
415.14496	28.3
416.14838	3.1
441.13397	0.6
463.06241	0.5
505.25751	0.9
681.40356	6.5
682.40979	1.0
690.43744	0.7
691.44025	0.9
741.44806	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51941	0.2
56.95944	0.2
57.03436	0.3
59.01373	4.2
61.98824	3.5
69.03452	0.2
71.01373	3.6
71.42164	0.3
72.99319	0.3
73.02944	0.7
78.95895	0.2
80.02677	1.3
81.03446	1.1
83.01395	0.5
83.05015	4.7
84.02187	0.5
84.21953	0.2
85.02940	0.8
87.00871	1.0
89.02430	2.2
95.05018	0.8
96.95996	1.9
97.02926	0.5
101.02423	3.3
111.08171	0.4
113.02461	1.8
113.09743	0.3
119.03504	0.6
121.10210	1.3
125.02437	0.5
125.06072	0.5
135.08162	0.7
141.01744	0.4
143.03461	0.3
145.05084	0.3
161.04538	1.0
163.11295	2.4
164.11638	0.4
165.12834	2.0
167.10739	0.3
171.10248	6.9
172.10588	0.3
179.05594	0.8
179.14372	0.4
181.12367	0.7
183.13844	0.6
191.10762	1.2
195.12228	0.4
195.13902	5.5
196.14397	0.8
199.13351	0.3
205.12459	0.3
205.15923	0.4
207.10049	0.2
209.11801	100.0
210.12143	6.6
211.13345	2.7
223.13385	3.4
224.13788	0.4
225.85866	0.2
227.12857	11.4
228.13271	1.5
231.21127	0.7
235.08202	2.3
235.17024	0.9
253.09248	16.9
254.09605	0.7
256.13174	0.7
275.20123	14.5
276.20386	1.1
291.19583	0.5
293.21191	67.4
294.21536	7.3
309.20813	0.8
407.18683	0.3
422.62167	0.2
445.20895	1.4
463.22321	0.2
485.32495	0.4
492.22141	0.4
503.33768	0.4
524.38422	0.2
526.82117	0.3
529.29926	0.8
739.40784	0.3
740.43750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62315	0.2
59.01378	0.9
61.98825	100.0
71.01379	0.6
71.62497	0.3
83.01401	0.3
87.00844	0.3
88.56824	0.2
89.02464	0.5
90.76800	0.2
96.95982	0.3
101.02435	0.7
103.87646	0.2
112.55540	0.2
113.02418	0.3
116.92890	0.2
119.03488	0.4
125.02428	0.4
185.94749	0.3
197.11871	0.5
199.13397	0.3
209.11836	3.5
210.12210	1.2
211.13361	3.3
212.13756	1.4
227.12929	0.9
227.15199	0.2
228.13354	0.4
235.08209	0.3
253.09331	0.8
277.21759	0.4
279.23245	0.5
280.23740	0.7
281.23874	0.4
289.26105	0.2
291.19617	0.4
292.19849	0.4
293.21423	0.9
294.21634	0.7
295.22839	1.6
309.20926	0.8
309.41129	0.3
310.21179	0.6
397.13898	0.5
398.13922	0.6
399.14227	1.1
400.14520	0.4
417.15189	0.4
577.26746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.37797	0.5
57.03436	0.8
59.01377	8.0
61.98808	1.7
63.66079	0.5
65.23100	0.4
69.03455	0.6
71.01374	7.6
71.05015	1.7
71.33327	1.1
73.02928	1.7
78.95885	0.7
79.95737	0.5
83.01376	0.5
83.05017	0.9
85.02943	1.0
87.00857	0.7
89.02442	3.0
95.01363	0.9
95.05011	0.7
96.01707	0.5
96.96008	10.6
97.02939	3.7
97.06567	1.0
99.00872	12.5
100.92133	0.5
101.02438	3.8
109.06570	2.1
109.11807	0.5
110.03723	0.5
113.02431	1.7
121.06551	0.6
125.09700	5.4
127.11265	1.4
135.08186	0.8
142.02727	0.9
145.10239	0.5
153.12823	0.6
161.04532	1.5
163.11278	6.7
171.10252	19.5
172.10625	0.9
179.05589	0.6
179.10715	0.9
181.12331	12.4
181.13901	0.7
182.12637	0.9
189.09206	0.9
197.11778	1.5
199.13365	23.9
200.13686	1.4
201.11253	2.4
207.10236	31.7
207.81311	0.5
208.10594	1.8
211.13350	2.0
225.11287	62.1
226.11623	3.9
227.12930	0.9
233.22592	0.6
235.08215	1.4
243.12314	13.9
244.12630	0.9
253.09265	5.2
254.28305	0.5
277.21683	44.6
278.22009	4.0
293.21298	0.9
327.38736	0.5
343.27280	0.5
443.19269	1.7
461.20172	9.9
462.20139	1.4
479.21414	3.4
541.02991	0.6
721.41650	4.4
722.41626	1.3
739.42627	100.0
740.42963	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98823	100.0
62.98524	0.1
66.08096	0.1
70.93204	0.2
71.01371	0.5
73.02896	0.1
74.52131	0.1
78.14117	0.1
78.83562	0.1
85.02963	0.1
87.00871	0.1
89.02439	0.4
96.02652	0.1
101.02432	0.3
113.02401	0.2
161.04459	0.1
163.11330	0.1
171.66936	0.1
177.18106	0.1
208.98904	0.1
209.11809	2.4
211.13310	0.1
227.12935	0.3
235.08354	0.1
253.09352	0.3
256.53638	0.1
275.20142	0.3
277.21674	0.5
278.22012	0.6
279.22757	0.3
293.21158	1.4
363.72018	0.1
397.13373	0.4
398.13757	0.5
399.13916	0.8
400.14447	0.4
416.14923	0.2
417.15073	0.3
418.15314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02392	0.6
55.01870	0.7
57.03432	1.0
59.01371	8.6
60.36214	0.7
61.98811	2.4
69.78188	4.1
71.01377	8.7
71.05003	2.7
72.99273	0.9
73.02926	2.3
74.03495	0.6
78.95908	1.1
83.05016	1.2
85.02939	2.6
87.00850	2.3
89.02445	3.3
95.05016	1.6
96.35387	0.6
96.95996	1.5
97.02955	3.3
97.06574	2.8
99.00877	13.4
101.02420	5.6
108.01281	0.7
109.06569	3.4
111.00861	0.8
113.02435	3.1
119.03465	0.7
123.08137	1.9
125.09700	6.1
127.11237	1.8
135.08064	0.9
152.99557	0.8
161.04555	1.3
163.11267	9.1
171.10255	19.0
172.10573	0.7
179.05632	0.8
179.10687	0.8
181.12347	11.7
197.11797	1.1
199.09662	1.5
199.13368	12.1
201.11302	4.7
207.08279	1.5
207.10245	28.3
208.10536	1.9
209.11891	0.8
211.13313	1.3
225.11298	49.8
226.11789	3.5
235.08220	3.4
243.12373	8.5
253.09299	6.1
277.21686	83.1
278.22043	10.4
279.23157	0.8
291.19547	1.6
293.21146	1.3
443.18936	1.6
461.20239	7.7
462.20483	0.7
479.21274	1.3
720.22992	0.8
721.41498	8.2
722.42035	2.2
739.42590	100.0
740.42902	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68571	0.2
57.16022	0.2
59.01374	12.6
60.01742	0.2
60.88303	0.2
69.77259	0.2
69.81869	0.2
79.51351	0.2
81.03451	3.9
83.05019	11.4
84.05361	0.4
84.14853	0.2
90.59799	0.2
96.96010	0.8
107.06141	0.2
108.04508	0.4
111.58662	0.2
125.07191	0.7
126.05567	0.4
129.15588	0.2
143.08217	0.3
157.13458	0.2
185.86560	0.2
191.05588	0.6
195.53282	0.2
207.15005	0.9
214.12137	0.3
224.17628	1.6
225.16045	11.8
226.16385	0.5
242.18736	0.5
290.22318	0.3
309.21838	0.7
324.26538	0.5
333.22995	0.3
341.29263	0.6
367.27020	1.0
368.27390	0.3
433.31955	1.1
450.34457	0.9
451.32861	8.2
452.33099	0.9
464.04907	0.3
540.18573	0.2
550.43542	1.0
565.44513	0.4
577.40698	0.3
593.43732	0.5
659.48633	1.7
660.48560	0.5
677.49597	100.0
678.49908	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	738.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37694	0.0
59.01366	0.5
61.98824	100.0
62.05920	0.1
62.98532	0.2
71.01379	0.3
77.13950	0.1
77.54134	0.1
87.00904	0.1
89.02412	0.3
98.20665	0.1
101.02439	0.4
102.02784	0.1
113.02430	0.2
119.03503	0.1
125.02424	0.1
140.15590	0.1
162.05180	0.1
209.11890	0.2
211.13446	0.1
227.12949	0.1
277.21716	0.6
278.22040	0.5
279.22375	0.3
280.22665	0.1
293.21283	0.1
379.42902	0.1
397.13403	0.3
398.13867	0.5
399.14044	0.6
400.14240	0.3
409.86505	0.1
416.15146	0.1
417.15146	0.2
418.15445	0.1
468.57382	0.1
477.15359	0.1
514.95251	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	737.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	6.9
61.98808	11.8
78.95877	7.3
80.08958	3.1
81.80990	3.3
83.04918	3.8
93.62576	2.7
163.82062	3.1
177.75061	3.0
209.11803	59.0
210.12042	5.2
213.34148	3.2
227.12770	18.3
235.08150	8.9
253.09338	10.3
255.23276	100.0
256.23532	9.3
279.23276	12.3
381.30536	3.4
445.20627	5.5
491.32199	10.4
585.48792	3.2
699.25134	4.3
709.40680	3.6
737.42218	40.9
738.42090	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	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45609	0.5
57.03443	0.7
59.01376	4.4
61.64943	0.5
61.98835	3.9
64.86723	0.6
69.03451	2.9
71.01378	4.6
71.05011	1.1
71.19457	0.5
73.02934	1.0
81.85981	0.5
83.05015	0.8
85.02939	1.5
87.00838	1.1
89.02440	1.6
97.02943	0.9
97.06622	0.6
98.20725	0.9
99.00904	0.6
101.02445	2.8
113.02408	1.4
123.08151	1.4
125.09684	1.5
139.11845	0.5
151.11240	1.9
153.12796	0.7
161.04486	1.2
161.09727	2.9
169.12296	2.1
171.10156	0.6
171.77176	0.5
179.10764	6.8
183.26149	0.5
191.28432	0.5
197.11810	39.2
198.12154	1.8
223.09717	2.3
229.19078	0.7
235.08063	0.6
241.10762	1.2
253.09209	2.3
277.21695	48.1
278.22061	4.6
402.64435	0.5
459.19510	0.6
477.19891	0.8
737.41058	100.0
738.41394	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23380	0.4
55.01865	0.7
55.32490	0.4
57.03442	0.6
59.01372	5.0
61.98818	3.1
69.03454	3.7
69.41207	0.4
70.02099	1.1
71.01383	3.9
71.05022	1.7
72.99320	0.4
73.02945	0.8
83.01394	0.7
83.04984	0.4
85.02953	0.9
85.92325	0.4
87.00910	0.6
89.02422	2.3
95.01314	0.5
97.02946	0.8
97.06570	0.5
97.55239	0.5
98.19951	0.6
101.02425	4.2
109.06557	0.5
111.04501	0.7
113.02435	1.5
115.93344	0.5
119.03448	0.8
122.53920	0.4
123.08162	0.7
124.22412	0.4
125.09704	1.8
139.26875	0.5
151.11275	1.6
152.99590	0.5
153.12830	2.0
161.04514	1.4
161.09703	2.6
169.12312	1.5
171.10255	0.9
179.10756	6.3
184.85036	0.4
197.11815	81.6
198.12155	4.9
205.08626	0.6
223.09767	2.8
241.10750	3.7
253.09331	2.5
277.21683	27.7
278.22040	3.3
279.23270	1.0
302.07291	0.5
342.25757	0.4
433.20395	0.4
459.18661	1.3
463.21591	0.5
477.19653	1.9
547.30402	0.5
575.35907	0.8
719.40131	1.1
737.41046	100.0
738.41351	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	737.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.4
57.01167	0.3
57.03424	0.6
58.00565	1.1
59.01374	31.4
61.98810	1.4
65.98384	0.3
69.03432	1.6
71.01377	24.7
72.99294	2.2
73.02942	4.1
75.00839	0.7
78.95895	0.4
81.03437	1.4
83.01378	3.0
85.02940	5.6
87.00867	5.6
89.02436	22.4
90.02776	0.4
91.04018	0.6
95.01395	2.0
97.02939	5.0
99.00872	1.8
101.02431	20.2
109.02901	0.7
111.00899	0.4
111.04520	0.9
113.02434	9.3
119.02739	0.5
119.03496	6.2
124.01655	0.6
125.02437	9.8
127.04006	0.6
131.03485	1.0
133.05067	0.9
139.03996	0.7
143.03491	3.7
161.04541	4.9
167.03468	0.7
179.05565	4.3
184.62224	0.4
185.04431	0.5
207.10141	0.7
209.11760	2.5
217.06999	0.6
221.06630	1.8
225.11269	0.5
227.12790	0.5
235.08173	10.0
236.08430	0.4
245.06708	0.8
253.09155	2.1
263.07660	1.2
277.09256	0.6
279.23242	81.3
280.23581	7.9
287.07632	2.5
291.19659	2.0
293.21237	0.6
305.08777	4.4
323.09845	1.4
379.12338	0.6
397.13443	100.0
398.13800	8.3
415.14508	30.5
416.14975	2.9
677.37585	3.2
678.37860	0.6
737.40973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.4
61.98826	100.0
68.23882	2.4
69.94630	10.9
71.01377	5.2
80.96542	3.4
96.96015	21.4
119.97345	2.8
125.02401	3.9
197.11781	3.6
209.11775	27.5
211.13309	3.4
223.13318	13.5
279.23218	5.6
291.19580	4.9
309.20428	3.5
523.37610	3.0
651.31824	2.9
702.19653	3.2
737.35571	19.1
737.48248	3.3
738.35083	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	737.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18553	0.4
59.01365	2.1
61.98825	25.0
71.01375	2.6
72.99297	0.5
73.02929	0.7
80.02678	0.7
80.66691	0.3
81.03445	0.9
81.06288	0.3
83.05019	4.1
84.02171	0.7
85.02944	0.6
87.00900	0.4
88.98779	0.6
89.02434	1.4
93.03470	0.5
95.05008	0.4
96.96004	6.7
98.19831	0.6
99.22859	0.3
101.02430	2.2
108.02165	0.3
109.06626	0.4
113.02453	1.2
116.92828	1.4
119.03452	0.5
121.02921	0.6
123.04488	0.4
125.02424	1.2
135.08127	0.5
137.02405	1.0
145.02950	0.6
151.00323	0.4
159.86380	0.3
160.01582	0.5
161.02451	0.5
161.04503	1.0
163.11259	3.2
165.12852	2.0
167.03537	0.4
167.86699	0.3
171.10226	0.9
175.03952	0.7
177.01897	0.3
179.05586	0.5
180.16541	0.3
181.12343	0.7
191.05617	0.7
191.10716	1.0
209.11800	100.0
210.12154	6.8
227.12868	14.4
228.13185	0.8
235.08234	1.7
253.09236	4.5
331.17819	0.3
347.17123	0.5
369.22766	1.3
371.24261	0.3
373.26215	0.4
387.23743	0.6
445.20679	3.6
446.21735	0.5
463.21823	0.4
637.32343	0.9
737.38452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
57.03421	1.3
58.00581	2.0
59.01375	32.9
61.98816	1.0
69.03452	1.1
69.41719	6.0
71.01378	23.9
72.99300	1.6
73.02948	4.5
75.00858	0.7
81.03454	1.4
83.01376	2.0
85.02934	5.3
87.00867	6.1
89.01907	1.1
89.02438	21.6
89.02988	1.2
95.01383	1.6
95.90273	0.7
97.02931	4.6
99.00898	1.3
101.02437	20.2
113.02436	9.0
119.03491	5.8
125.02433	9.6
131.03505	1.2
133.05042	1.1
141.01697	5.9
143.03459	3.4
149.04498	1.2
161.04559	4.1
179.05573	5.0
184.67502	0.8
209.11850	1.5
211.13269	0.9
221.06699	1.7
225.11272	0.9
235.08191	10.4
246.40114	0.9
253.09267	1.9
263.07471	0.9
277.09216	0.8
277.21664	0.8
279.23245	81.3
280.20892	1.1
280.23605	8.2
287.07632	2.1
291.19592	1.4
305.08725	3.6
323.09753	1.3
358.49576	0.7
379.12210	1.7
397.13449	100.0
398.13776	10.1
415.14502	32.8
416.14569	1.9
677.37640	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	736.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74347	0.1
60.24105	0.1
61.98822	100.0
62.98520	0.3
71.39957	0.2
88.84861	0.1
112.03611	0.1
121.02941	0.9
134.78641	0.1
157.63940	0.1
209.04539	0.8
209.11832	0.5
210.12192	0.2
211.12459	0.1
257.74417	0.1
273.92230	0.1
377.19534	0.1
587.68054	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	737.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30891	0.5
56.03065	0.4
57.03434	0.5
59.01364	1.4
61.98834	3.0
63.96238	1.6
64.58516	0.4
64.97009	0.4
69.25202	4.4
71.01373	8.8
73.02948	2.4
75.50281	0.4
78.44609	0.4
78.98582	6.0
79.95727	14.1
80.96507	75.4
81.03453	1.2
83.01376	0.5
83.05024	0.4
85.02937	4.1
87.00884	3.1
94.98077	16.9
95.01399	0.7
96.95994	3.9
97.02937	2.1
99.00858	0.8
101.02410	3.2
106.98071	3.6
113.02488	0.9
118.24326	0.4
121.83669	0.4
122.97565	3.5
125.02448	3.4
126.54897	0.4
127.04033	0.8
134.97569	5.5
136.99120	1.6
148.99117	6.4
152.98607	6.2
164.98618	14.4
165.12810	0.5
191.05539	0.7
196.26651	0.4
197.11754	0.4
200.63429	0.5
206.99635	2.9
207.06618	0.5
209.11789	4.8
225.00716	25.3
226.01004	0.7
283.04797	0.5
509.16989	4.4
510.17203	0.5
527.18250	0.6
544.40771	0.5
565.08386	0.5
633.32874	0.6
737.30481	100.0
738.30750	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	735.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.7
63.02411	0.3
65.00338	0.3
69.31608	2.6
74.99094	3.3
89.02425	0.4
96.96010	0.8
98.20558	0.6
100.10793	0.3
101.02470	0.4
105.01900	2.0
106.06839	0.3
107.01376	0.9
119.03545	0.3
120.99654	0.9
133.02925	2.0
134.03734	0.5
136.99120	2.0
138.12004	0.3
147.02982	2.6
149.02411	0.3
151.00369	2.3
175.04002	0.9
179.10773	0.4
183.10283	1.4
191.05553	0.6
194.52829	0.3
199.03990	0.8
201.11299	3.3
211.04066	0.5
212.04642	0.3
213.05531	0.3
217.05077	0.4
223.09727	0.9
227.03513	0.4
243.03101	0.4
243.12328	2.8
244.12695	0.3
255.02937	0.4
256.03699	1.8
257.04306	0.3
259.02844	0.3
267.81528	0.3
272.71527	0.3
284.03223	35.6
285.03998	82.8
286.04352	7.0
287.09424	0.4
297.04135	0.3
327.05133	0.8
403.16010	0.7
447.09268	100.0
448.09576	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	733.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91713	0.3
54.03790	0.3
58.44266	0.3
59.01368	2.4
61.98823	7.1
68.15562	0.3
68.99537	0.4
71.01385	1.9
71.62660	0.4
73.02936	0.7
73.52417	0.3
79.95722	0.4
80.02662	1.0
81.03439	0.8
83.01379	0.4
83.05015	3.4
84.02165	0.6
85.02934	0.8
87.00864	0.5
87.04385	0.3
89.02416	1.5
91.28541	0.3
93.03468	0.5
95.05000	0.7
96.95997	8.4
97.02934	0.5
99.00849	0.3
100.32502	0.3
101.02411	1.6
109.06557	0.3
112.29263	0.3
112.98549	0.5
113.02412	0.9
113.03154	0.3
115.56645	0.3
119.03445	0.4
125.06047	0.4
125.09713	0.7
134.03722	0.4
135.08191	0.5
137.02461	0.8
145.04948	0.3
160.01653	0.6
161.04514	1.1
163.06352	0.3
163.11272	3.0
165.12836	2.0
181.12289	0.8
185.11864	0.3
191.10732	0.8
193.05074	0.5
199.13303	1.1
209.11795	100.0
210.12137	6.2
227.12848	13.5
228.13206	0.9
235.08168	1.0
253.09258	4.9
298.87604	0.3
347.15131	0.3
373.25867	1.2
445.20721	2.7
446.21085	0.7
455.26736	0.6
637.31714	0.6
638.31848	0.5
655.33331	0.5
695.36804	0.4
697.37445	0.5
733.40479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01375	1.8
60.99299	0.9
65.03918	0.2
67.01884	3.3
69.03433	0.7
69.60645	1.5
71.01383	1.7
74.99105	0.2
81.03465	0.7
83.05019	0.8
85.02941	4.4
87.00868	4.7
89.02440	0.2
93.03448	20.4
94.03790	0.7
96.96036	0.2
98.19862	0.4
99.00875	0.6
99.04501	0.3
101.02424	0.3
105.39075	0.2
109.02954	0.6
111.04512	3.0
113.02433	0.6
117.03477	0.3
119.03593	0.2
119.04219	0.4
119.05015	5.9
120.05340	0.3
121.02990	0.2
125.02429	6.2
125.56223	0.2
126.02759	0.3
127.04017	1.0
129.01900	0.9
135.98332	0.5
136.99127	0.2
137.02429	0.7
143.03540	0.2
145.02950	1.7
149.02397	0.8
153.01959	0.3
155.03459	0.9
163.03984	7.3
163.11293	0.6
164.04372	0.2
171.02991	0.2
173.04523	14.5
174.04820	0.4
191.05585	100.0
192.05916	4.1
225.04126	0.3
287.07758	0.6
315.58075	0.2
337.09241	40.2
338.09549	3.9
363.99161	0.2
387.09146	0.5
387.16571	2.6
454.00259	0.2
693.39313	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	733.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.03434	1.8
58.00560	0.5
59.01100	1.0
59.01379	17.8
71.01378	15.6
72.99291	1.9
73.02930	3.0
83.01375	2.1
85.02940	7.6
87.00866	1.5
89.02440	10.8
93.03452	0.8
94.85072	0.5
95.01371	1.9
96.95985	1.2
99.00880	1.0
101.02437	11.9
109.02909	1.6
111.00835	0.8
111.04488	1.1
113.02439	6.7
115.00332	0.7
119.03487	4.6
119.04991	1.1
120.99648	1.1
121.02927	0.9
121.06579	0.7
123.04562	1.0
125.02432	2.2
129.01901	0.6
131.03484	0.8
137.02419	1.0
151.03960	1.0
159.02957	0.7
161.04572	0.7
163.03954	0.7
164.04381	0.4
165.05556	2.2
175.02444	2.1
181.05055	0.5
191.05547	1.2
194.18469	0.4
213.11957	0.5
219.13904	0.9
237.14984	0.6
245.08173	0.6
289.07059	4.9
293.12341	1.8
327.10706	0.7
443.19162	100.0
444.19540	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	731.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11037	0.9
55.20575	0.9
57.03430	1.0
57.42703	0.8
59.01088	1.8
59.01373	27.8
60.01728	0.8
65.66842	0.9
69.03439	1.5
71.01375	17.4
72.99307	2.1
73.02924	1.1
75.00864	1.4
83.01389	2.0
85.01024	2.6
85.02931	4.8
86.80099	0.8
87.00872	2.0
89.02437	11.0
92.02680	1.1
93.03446	34.6
95.01375	2.6
95.05026	1.4
96.95974	2.1
97.02950	1.0
99.04501	12.9
101.02412	9.4
103.00323	1.0
104.31085	0.9
107.05006	2.6
108.02152	2.6
109.02943	1.7
112.98807	2.3
113.02438	6.5
119.03505	3.1
121.02903	2.2
123.04498	1.5
125.02403	2.7
127.07597	1.8
135.04495	3.0
136.01646	15.3
137.02428	72.5
138.02748	1.9
142.97952	0.9
145.01414	2.6
149.02428	3.0
150.03142	1.4
151.03951	7.7
155.07083	0.9
165.05470	1.1
167.03445	1.3
179.03470	55.4
180.03857	3.0
183.10251	2.0
187.11284	1.3
189.12753	3.1
207.13863	17.7
208.14264	1.3
209.04510	10.2
213.84718	0.9
239.05580	39.3
240.05963	2.4
251.12845	37.6
252.13171	2.8
284.03302	1.1
285.03918	2.4
286.04282	2.6
299.07684	15.3
300.08044	1.2
308.99033	1.0
399.12860	0.9
431.19156	25.7
432.19595	2.4
511.20047	1.8
539.15704	1.9
551.21252	52.3
552.21490	8.4
555.14172	1.8
731.26855	100.0
732.27161	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76619	0.1
58.91751	0.1
59.01369	0.4
61.98825	100.0
62.98532	0.2
69.37456	1.0
71.01382	0.2
75.00878	0.3
80.01774	0.1
96.96021	0.4
99.45701	0.1
103.14584	0.1
109.06622	0.1
114.01035	0.1
126.47868	0.1
171.10223	0.1
171.13194	0.1
209.11800	0.9
210.12102	0.2
211.13283	0.1
223.13443	0.2
224.13756	0.2
227.13004	0.1
331.17709	0.1
357.26559	0.2
359.28125	0.2
373.25992	0.1
615.76752	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	731.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03433	1.6
59.01372	5.7
61.98824	1.3
63.14635	0.5
63.68826	0.6
68.99802	1.1
69.03440	1.7
69.39416	0.5
70.63084	1.1
70.63451	1.1
71.01380	6.1
71.05009	0.9
71.59618	0.5
72.99300	1.8
73.02950	0.9
75.00512	0.5
75.00855	3.5
83.01373	2.4
85.01013	3.4
85.02930	1.9
87.00829	1.3
88.98821	1.5
89.02438	1.0
93.03455	0.8
95.05017	2.4
96.95987	1.5
96.99280	0.7
97.02952	0.8
97.90361	0.6
99.00851	1.4
101.02439	3.1
103.00371	1.0
109.02932	0.9
109.06554	0.7
111.08157	1.5
112.98801	3.7
113.02429	1.4
115.00327	0.9
115.02058	0.9
121.02959	1.5
123.08156	0.8
124.98853	0.7
125.02425	1.9
127.02031	0.8
127.07608	2.2
129.01949	0.9
137.06073	2.0
139.02100	1.0
139.03955	1.6
139.11261	2.2
140.08531	0.5
145.01401	5.3
145.03081	0.9
155.07140	1.2
157.01395	1.8
161.76709	0.6
171.00835	0.6
183.10233	3.6
184.10539	0.9
187.02480	0.7
187.04095	1.3
191.05594	0.7
197.11761	1.0
199.00214	0.5
199.06053	0.6
214.22844	0.6
225.11278	0.8
263.05762	1.5
301.41168	0.5
308.72180	0.6
345.10074	0.7
359.08026	0.9
398.67566	0.5
425.20532	0.6
456.16318	0.6
511.19785	6.3
512.20050	0.7
525.21118	0.8
526.21771	0.6
553.20807	0.9
695.36255	0.7
731.25708	100.0
732.26031	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	731.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77133	0.5
53.13544	0.5
57.03430	1.7
58.00583	0.8
59.01094	0.8
59.01374	12.1
61.98817	0.9
66.88136	0.5
68.99788	0.7
69.03431	2.3
69.43331	2.6
69.43757	1.9
71.01376	9.0
72.99294	2.1
73.02924	1.1
75.00867	3.0
75.31803	0.5
76.73162	0.6
83.01389	2.6
85.01029	3.0
85.02924	2.4
87.00867	1.2
88.98776	1.7
89.02437	3.8
93.03449	0.8
93.07101	1.0
95.01392	0.6
95.05037	3.0
96.95985	2.0
97.02917	1.1
98.19891	1.0
99.00862	1.8
99.04510	1.3
101.02431	4.1
103.00385	1.0
109.02956	0.6
109.06541	1.0
111.00853	0.6
111.04507	0.6
111.08115	0.7
112.98788	3.8
113.02467	2.6
113.06016	0.6
115.00377	0.9
115.02020	1.0
117.01894	1.1
119.03460	0.7
121.02930	2.2
123.08141	0.6
125.02414	1.9
127.02017	0.6
127.07607	2.4
129.01936	0.7
135.04494	0.9
137.02409	1.4
137.06024	1.9
139.03993	1.0
139.11258	2.4
145.01430	5.1
145.03070	1.1
150.03090	0.7
154.99739	0.6
155.07089	0.9
157.01385	2.0
161.13306	1.8
167.03430	1.0
179.03409	0.7
181.05034	1.1
183.10243	4.1
187.02438	1.1
187.11238	2.2
205.12323	1.5
225.11423	0.7
229.12260	0.8
243.49844	0.6
249.11282	1.0
251.12852	0.6
263.05780	1.6
285.23117	0.5
319.10233	0.9
359.07742	1.2
511.19739	4.5
512.20154	0.7
525.20880	0.7
551.21240	3.2
731.25928	100.0
732.26355	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	730.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30299	0.1
59.01368	0.2
61.98823	100.0
62.32653	0.1
62.98539	0.2
70.75922	0.2
70.76257	0.2
80.96523	0.2
87.38042	0.1
137.49899	0.1
171.10234	1.0
172.10625	0.6
173.10771	0.2
277.21802	0.4
278.22122	0.3
279.22342	0.3
296.47162	0.1
399.08136	0.1
438.87796	0.1
537.61237	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	731.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14392	0.6
53.70103	0.5
55.01873	0.7
57.03434	1.2
57.84695	0.5
58.00594	0.8
59.01372	11.6
60.99286	0.5
68.99816	0.8
69.03442	2.2
69.45503	3.3
69.45917	1.2
71.01382	9.3
72.99285	2.1
73.02930	1.5
75.00868	2.9
77.68769	0.5
83.01366	2.2
85.01010	3.9
85.02926	2.5
87.00855	1.5
88.98787	1.4
89.02442	3.8
93.03448	1.2
93.07062	0.8
95.01377	0.9
95.05003	2.9
96.95997	1.1
99.00878	1.3
99.04472	1.6
101.02435	4.3
103.00351	1.8
109.06583	0.9
111.00784	0.6
111.08119	1.2
112.98790	3.9
113.02439	2.8
115.00344	1.0
115.02073	0.8
117.01940	0.7
119.03477	1.1
121.02930	0.8
124.98778	0.9
125.02422	1.8
127.02047	1.0
127.07610	2.4
129.01962	1.1
137.02426	1.6
137.06062	1.8
139.04001	1.3
139.11269	1.9
142.99747	0.6
145.01411	3.9
145.02986	0.7
155.07082	1.5
157.01378	2.0
157.04997	0.7
161.13292	2.0
167.03444	0.8
171.01044	0.8
179.03459	1.1
181.04967	0.6
183.10236	4.2
184.04329	0.6
187.02368	1.1
187.03900	0.7
187.11256	2.6
197.11754	0.9
202.13667	0.5
205.12315	2.2
209.04564	0.7
225.11385	0.8
239.05669	0.6
249.11234	2.1
251.12865	0.6
263.05545	0.8
319.10196	1.0
359.07956	1.0
431.18790	0.7
511.19778	4.9
525.21320	0.8
551.21130	3.9
595.21759	0.7
693.70056	0.6
731.25977	100.0
732.26306	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76139	0.1
58.51912	0.1
59.01363	0.2
60.42825	0.1
61.98824	100.0
62.98526	0.2
69.96195	0.1
70.52193	0.5
80.96524	0.2
92.88613	0.1
98.19864	0.1
114.64959	0.1
115.45606	0.1
171.10214	0.8
172.10588	0.5
194.79128	0.1
198.21036	0.1
225.00830	0.1
277.21738	0.4
278.22131	0.6
279.22433	0.3
361.21957	0.1
441.08569	0.1
731.37091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50765	24.9
59.01349	30.7
61.98822	100.0
94.52489	29.2
152.99518	27.0
171.10297	42.2
193.39928	26.2
197.11783	60.6
277.21594	36.6
347.70752	30.9
675.32495	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
57.05778	0.7
59.01372	7.2
61.98829	3.9
69.03452	1.6
70.47738	1.5
70.48087	1.7
71.01381	4.1
71.05020	1.0
73.02940	1.0
81.03444	0.8
83.05006	3.9
84.02183	0.7
85.02942	1.7
87.00851	0.8
89.02422	3.1
91.54623	0.6
95.04993	1.8
96.95985	1.7
101.02428	2.7
109.06544	0.9
109.13055	0.7
113.02421	1.6
119.03430	0.8
161.04536	1.6
163.11267	2.4
165.12856	2.5
167.10695	3.6
171.10252	1.5
177.12752	0.9
179.05580	1.0
179.10788	1.6
179.14372	2.7
191.10802	1.2
195.13881	10.1
201.11301	4.0
205.12297	10.4
206.12688	1.3
209.11804	81.7
210.12103	4.6
223.13364	100.0
224.13715	7.4
227.12904	15.0
227.34695	0.7
235.08221	3.8
246.91878	0.7
253.09290	8.5
261.14908	1.4
271.78012	0.8
309.20712	0.8
415.24738	0.8
441.21210	1.5
445.20749	1.5
459.22363	15.3
460.22778	2.1
633.32782	1.5
651.33978	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	729.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01376	4.1
61.98824	2.8
64.88905	0.4
69.03454	1.0
71.01376	3.3
73.02966	0.4
74.30387	0.3
80.02702	1.3
81.03458	1.2
83.01411	0.6
83.05019	4.2
84.02180	0.5
85.02932	0.7
87.00864	1.1
89.02449	2.2
95.05035	0.7
96.96014	2.1
101.02422	2.3
108.78734	0.4
109.06558	0.6
111.08181	0.4
113.02451	1.5
114.60690	0.3
119.03527	0.7
125.02429	0.6
125.06084	0.4
125.09721	0.5
131.28864	0.4
135.08171	0.7
143.03418	0.4
149.09726	0.5
161.04503	1.5
163.11261	3.4
165.12819	2.3
167.10783	1.3
171.10217	0.8
177.13004	0.4
179.10825	0.5
179.14412	1.0
181.12320	0.6
189.67397	0.3
191.10762	0.9
195.13901	3.6
197.11658	0.5
201.11369	2.7
205.12289	4.7
206.12668	0.5
207.10260	0.4
209.11798	100.0
210.12135	7.0
223.13359	46.8
224.13699	3.5
227.07104	0.4
227.12865	14.6
228.13193	1.1
235.08200	2.7
241.00096	0.5
253.09250	8.0
254.09485	0.9
261.14783	0.5
309.20694	0.8
344.84576	0.4
407.27872	0.7
441.21097	1.3
445.20776	3.3
459.22324	2.9
460.22775	0.7
463.21396	0.5
471.85980	0.4
627.37366	0.4
633.32123	0.5
651.33862	1.8
669.37463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
64.38689	0.5
71.62469	0.5
74.43964	0.5
89.74093	0.6
116.92870	0.6
119.22666	0.6
146.00072	0.6
227.72330	0.6
335.78622	0.6
368.58481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.2
61.98808	0.3
71.01374	2.1
71.61593	0.4
73.02953	0.5
82.80911	0.2
83.05032	0.2
85.02937	0.6
87.00872	0.7
89.02429	1.4
101.02435	2.1
113.02445	1.0
119.03495	0.3
125.09723	0.8
127.11308	1.3
140.26283	0.2
152.99600	0.4
161.04555	0.9
171.10257	92.8
172.10594	4.4
209.11806	0.7
210.12077	0.4
235.08223	3.5
253.09258	6.5
254.09654	0.4
259.20636	0.3
274.78226	0.2
275.20145	0.3
277.21683	100.0
278.22046	9.8
279.23343	0.6
280.23624	0.4
281.23770	0.3
287.22388	0.3
407.19022	1.7
434.19955	0.2
480.54208	0.3
513.30627	1.5
709.38873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.1
64.45667	0.2
68.03403	0.2
71.01368	1.7
73.02959	0.4
74.99504	0.2
85.02940	0.4
87.00889	0.2
89.02427	1.1
101.02435	1.4
113.02463	0.9
119.03532	0.2
121.54725	0.2
125.09730	0.9
126.88829	0.2
127.11278	1.9
146.23721	0.2
153.09163	0.4
161.04550	0.7
171.10249	100.0
172.10596	4.8
179.05659	0.3
189.90518	0.2
208.42822	0.2
209.11781	0.6
210.12128	0.3
235.08188	1.6
253.09245	5.1
254.09644	0.3
277.21680	49.6
278.22000	4.4
293.28256	0.2
344.51251	0.2
395.39627	0.2
407.19168	2.8
408.19556	0.3
446.21414	0.2
513.30261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42665	1.0
54.00705	1.0
54.01848	1.0
54.62039	0.9
55.01872	1.0
57.03437	1.3
58.00601	1.1
58.74351	1.0
59.01089	1.5
59.01375	24.3
61.91203	0.9
61.98817	3.3
69.03444	2.0
69.58250	7.0
71.01381	22.9
72.99304	2.1
73.02937	3.5
74.30200	1.1
81.03455	1.4
83.01376	2.7
85.02953	5.7
87.00883	4.7
89.02435	22.5
93.03468	1.0
95.01366	1.8
97.02942	4.1
98.19837	1.0
99.00858	1.6
101.02434	20.5
113.02441	8.8
119.03490	4.8
121.49331	0.9
125.02453	8.6
131.03526	1.8
139.04042	1.2
141.34152	1.1
143.03474	5.0
161.04535	3.0
161.26479	0.9
171.10327	1.7
179.05565	4.8
221.06612	1.3
235.08211	8.6
253.09276	1.1
269.24823	73.6
270.25140	6.5
287.07745	3.3
301.93942	1.1
305.08670	3.6
323.09793	1.0
397.13443	100.0
398.13763	9.4
415.14560	27.4
416.14731	2.2
438.82642	1.0
461.63843	1.1
667.39136	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	727.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
58.00571	1.4
59.01375	20.2
71.01377	11.3
71.62807	0.9
72.99284	1.1
73.02927	1.2
79.34110	0.6
81.03446	1.0
83.01366	1.3
84.66450	0.5
85.02944	5.5
87.00871	0.7
89.02439	5.7
93.03440	1.1
95.01393	3.0
95.25174	0.6
96.95998	5.8
98.95573	2.0
99.00840	0.8
99.08134	1.1
101.02441	5.9
107.04984	0.6
108.02164	40.4
109.02955	26.7
110.03243	0.9
113.02412	3.3
119.03465	1.4
121.02940	2.1
123.00867	1.3
123.04503	1.7
125.02396	1.0
127.07613	0.6
132.81308	0.6
135.04474	1.2
145.02931	0.6
145.08676	5.8
151.03970	1.4
152.01137	53.4
153.01935	21.7
153.05533	0.8
161.02400	0.5
161.04527	1.0
161.13312	2.3
163.03987	1.7
165.01881	1.2
166.02635	0.5
166.36540	0.6
177.01961	0.5
183.04427	0.9
187.09673	2.9
187.11256	2.9
205.12256	0.7
224.69066	0.6
315.07193	15.7
315.10883	0.8
316.07480	1.1
341.93405	0.5
503.19165	5.3
504.19641	0.9
547.18085	9.0
548.18671	0.9
565.19135	0.9
727.24432	100.0
728.24695	18.8
754.27539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81189	0.5
79.95708	1.3
79.96107	0.1
95.95254	0.4
96.95998	62.3
97.95927	0.2
98.19794	0.2
98.97873	0.2
103.78336	0.1
118.60482	0.1
131.07040	0.1
185.11795	0.8
265.07462	100.0
266.07779	6.0
285.04062	0.3
286.81039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
57.03442	6.2
59.01372	35.3
67.01878	2.5
68.99810	2.5
69.03445	8.9
69.93911	1.4
69.94306	3.3
71.01376	21.4
71.05029	0.9
72.99301	3.0
73.02937	15.4
74.96813	0.9
81.03458	6.1
83.01370	5.2
83.05016	1.6
85.02943	64.6
86.03249	1.0
87.00866	100.0
88.01199	2.3
93.03442	6.1
95.01376	22.3
96.96008	2.0
97.02944	29.1
98.19985	1.2
99.00861	2.9
99.04512	5.9
101.02409	2.2
103.03993	11.5
108.02151	1.1
109.02944	9.8
111.00867	8.4
111.04480	1.8
113.02437	21.9
115.00352	11.1
115.03994	2.4
121.02916	1.1
121.81743	1.0
123.04491	1.4
125.02420	4.4
127.03991	17.0
129.01927	2.0
135.04443	1.3
137.02444	5.1
139.00351	14.4
141.05540	1.2
145.05069	5.2
149.02356	1.3
151.03918	1.4
153.01904	2.6
155.03461	3.4
157.01389	11.7
157.93156	0.9
167.03464	1.4
169.05055	3.5
171.02913	2.3
171.49910	0.9
173.04518	2.1
175.02458	59.1
176.02827	2.9
179.03497	2.0
191.05559	3.9
199.02455	38.5
200.02779	1.8
213.03941	1.1
217.03505	22.8
237.99272	1.4
285.06036	2.5
301.05548	1.6
303.07141	19.5
321.08292	7.6
345.08163	8.7
387.09283	19.6
388.09055	1.7
405.10379	6.5
443.17538	0.9
563.12323	2.7
581.13202	1.2
623.14685	9.0
624.15320	1.3
685.18652	1.9
709.18048	19.1
710.18671	3.8
727.19208	27.3
728.19800	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	725.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.8
57.60497	0.3
59.01373	11.7
61.98812	1.2
69.03460	2.0
71.01377	2.7
71.05024	0.6
73.89515	0.3
83.05045	0.4
85.02950	1.0
85.06575	0.5
87.00854	0.8
89.02444	1.6
93.03418	0.3
96.96000	2.6
101.02436	2.3
109.06594	0.6
111.08176	0.8
113.02440	1.4
119.03485	0.5
125.02450	0.4
125.09698	0.5
135.11720	0.4
145.05128	0.3
161.04527	1.3
167.10725	2.9
169.12265	0.9
177.12791	0.7
179.05556	0.6
179.10764	1.1
179.14366	3.3
195.13870	9.7
196.14253	0.4
197.11806	16.1
198.12119	1.2
205.12311	9.2
206.12711	0.7
209.11963	0.5
211.13255	0.4
223.13362	100.0
224.13687	7.3
227.12910	0.3
227.20349	0.3
235.08221	2.5
253.09299	6.3
254.09599	0.4
291.19489	2.0
309.20700	5.3
310.20892	0.7
411.25208	0.8
429.26331	1.0
433.20670	0.8
441.21466	2.7
442.21582	0.5
459.22305	15.4
460.22675	2.0
621.32806	0.7
647.34174	2.3
648.34564	1.0
665.35382	3.6
666.35376	0.6
699.97375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
57.03426	1.3
58.00574	0.7
59.01370	13.9
61.98814	1.3
69.46227	3.4
71.01374	14.9
72.99301	7.1
73.02933	3.8
75.00867	3.2
83.01378	2.9
83.05032	0.6
85.02940	7.2
87.00874	1.1
89.02430	4.1
95.01366	1.7
96.95992	1.9
97.02932	0.6
98.19725	0.4
99.00863	1.5
101.02435	7.8
109.02949	0.5
113.02441	4.9
117.03483	0.5
119.03502	0.8
121.49362	0.4
125.02426	1.0
129.01900	0.5
135.09871	0.4
137.02356	0.5
145.02866	2.1
158.75211	0.4
161.04486	1.1
163.04063	0.5
177.01952	0.4
285.04028	2.3
343.21875	0.4
363.91370	0.4
411.28976	0.6
429.30035	1.6
439.28528	2.5
457.29425	2.3
458.29797	0.5
495.42648	0.5
506.54282	0.4
619.34686	4.8
620.35107	0.8
635.34222	2.3
663.33862	3.7
664.33545	1.1
681.34772	43.5
682.35071	9.0
689.24481	0.6
707.31860	0.7
725.33759	100.0
726.34137	25.4
740.46161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17098	7.7
59.01369	61.6
61.98841	69.7
69.07276	6.7
69.37093	7.0
69.50924	58.6
71.01375	19.0
73.02953	7.7
83.05051	7.0
89.02454	11.7
93.03463	8.5
96.96004	55.5
101.02401	8.6
105.14751	8.2
109.02903	10.2
121.02940	20.3
125.02413	8.9
141.01639	14.4
161.04556	12.4
197.11874	13.2
199.09782	13.3
201.11331	7.7
207.10303	14.3
209.11807	91.9
211.13400	100.0
227.12820	22.0
235.08160	10.7
253.09340	9.5
269.04483	24.0
326.99393	7.8
331.17560	9.8
357.26410	13.4
373.25812	14.2
392.57199	7.7
445.20572	7.9
447.22055	14.6
621.33533	8.5
651.29938	10.3
725.35156	35.6
726.33978	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	725.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69332	0.9
59.01120	0.9
59.01375	9.2
59.69897	0.7
60.01703	0.9
61.98822	10.6
64.97494	0.7
65.03939	2.2
69.03459	1.1
69.57731	1.5
69.58144	4.8
71.01368	3.3
72.99322	0.8
73.02926	0.8
78.95899	0.8
79.95689	0.8
80.91680	1.3
81.03454	7.7
83.01330	0.9
83.05020	32.2
84.05344	1.3
85.02919	1.2
85.11771	0.8
89.02427	1.7
93.03445	20.0
94.03754	1.1
95.01405	0.9
96.95992	12.6
101.02423	2.1
108.02139	1.1
109.02943	43.4
109.06567	1.6
110.03262	1.1
111.04510	43.9
112.04838	1.3
113.02426	2.0
117.03478	1.1
121.02944	100.0
121.81535	0.8
122.03268	3.5
123.04523	15.2
124.35953	0.9
125.02428	1.4
127.04009	1.7
137.02434	25.6
141.01620	1.3
145.02927	1.6
155.02238	1.2
155.03485	17.9
161.04579	1.5
171.10223	1.5
173.04547	1.1
179.05664	1.3
181.12312	0.8
197.11853	4.5
198.12106	1.0
199.13329	1.0
201.11249	2.3
207.10187	1.7
209.11816	8.5
211.13316	1.3
213.05495	0.9
219.09920	1.1
225.11273	4.1
225.18806	0.9
227.12900	3.4
253.09184	1.1
261.28934	0.9
269.04562	9.5
281.64539	0.9
325.29105	0.8
337.56244	0.8
339.25546	1.2
355.24728	1.4
357.26346	6.6
371.24069	1.0
373.25906	5.5
375.27560	1.1
405.11786	3.4
406.12302	0.8
509.14291	4.5
527.15466	8.0
528.15942	1.8
543.15045	6.8
544.15704	1.4
665.18701	7.1
666.19482	1.2
725.19025	0.9
725.42700	7.6
726.42145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02681	0.2
55.01883	0.3
55.61162	0.2
58.00600	0.2
59.01370	3.9
69.03456	0.2
70.84338	0.5
71.01374	3.2
71.47034	0.2
72.99303	0.3
73.02943	0.9
80.02676	1.0
81.03453	0.8
83.01400	0.4
83.05019	3.4
84.02148	0.5
85.02946	0.9
87.00866	0.9
89.02441	2.2
95.01400	0.3
95.05027	0.3
97.02972	0.4
97.06604	0.2
99.00903	0.3
101.02441	2.8
109.06578	0.3
113.02444	1.5
115.24190	0.2
119.03509	0.6
129.01976	0.2
131.03453	0.2
135.08151	0.6
145.05063	0.7
161.04576	1.0
163.11287	3.1
165.12816	1.7
179.05634	0.2
181.12294	0.5
181.14017	0.2
190.37416	0.2
191.10768	0.6
199.13316	0.3
209.11803	82.1
210.12141	5.4
225.11140	0.2
227.12856	10.2
228.13126	0.7
233.22743	0.2
235.06430	0.1
235.08179	5.3
253.09256	9.9
254.09550	0.5
259.20615	0.3
275.19897	0.3
277.21677	100.0
278.22015	10.4
278.25198	0.2
445.20770	0.5
468.16827	0.2
513.30273	0.3
717.17584	0.3
723.43158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.1
57.03422	0.1
58.00597	0.2
59.01372	2.9
70.76497	0.3
71.01373	2.0
71.01749	0.1
71.05018	0.1
72.99306	0.2
73.02946	0.3
80.02667	0.8
81.03432	1.1
83.01392	0.4
83.05018	4.5
84.02152	0.6
85.02934	0.5
87.00887	0.3
89.02440	1.7
93.03462	0.1
95.01375	0.1
95.05029	0.5
96.93388	0.1
97.02984	0.1
97.06610	0.2
99.00896	0.1
99.53985	0.1
101.02436	1.9
102.92465	0.1
109.06581	0.3
111.08181	0.1
113.02452	1.4
117.34576	0.1
119.03516	0.4
125.02467	0.2
125.06080	0.4
125.09707	0.2
133.05063	0.1
135.08180	0.7
136.08298	0.1
143.03488	0.2
143.49039	0.1
147.11830	0.2
161.04573	0.7
163.11284	3.3
164.11659	0.2
165.11525	0.2
165.12833	2.3
173.09688	0.1
179.05574	0.4
181.12320	0.6
191.10764	1.0
199.13347	0.2
207.10207	0.1
209.11804	100.0
210.12132	6.0
216.24823	0.1
227.12852	10.1
228.13138	0.6
233.22743	0.2
235.08208	1.1
253.09259	7.0
254.09575	0.4
259.20419	0.1
275.20065	0.3
277.21674	48.8
278.22043	5.2
278.25256	0.2
445.20724	1.1
446.20932	0.1
463.21497	0.1
484.31036	0.1
718.59918	0.1
723.43500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95754	0.5
59.01371	2.7
60.29485	0.6
61.98824	9.8
71.01377	4.0
71.62722	0.5
73.02945	0.7
76.59998	0.7
79.95742	0.8
88.98788	1.5
89.02451	1.5
93.03451	1.8
96.95999	15.1
99.00879	0.7
101.02435	1.5
107.01394	1.0
109.02905	1.1
113.02439	1.1
116.92856	0.7
117.03461	4.0
119.05020	1.0
123.04486	1.4
125.02431	1.2
137.02438	1.1
145.02930	4.2
149.02489	0.7
151.00397	1.1
159.04485	1.0
161.02403	1.7
161.04584	0.9
167.03510	0.9
169.06580	0.7
171.10222	1.4
176.06067	0.6
179.05620	1.1
182.88055	0.6
183.08046	0.6
185.11691	0.8
207.10420	0.8
209.06154	0.8
209.11734	2.0
209.83910	0.6
210.04800	0.9
210.06815	17.4
210.08711	1.1
211.07613	99.0
212.07936	7.5
223.81902	0.6
225.11238	0.9
239.03482	1.1
240.04176	1.4
254.69966	0.6
268.03729	43.4
269.04477	31.9
270.04858	1.8
311.05576	1.9
331.17679	1.0
355.24762	2.0
371.24573	1.0
373.25909	3.1
467.45547	0.7
511.08734	100.0
512.09149	15.5
536.28070	0.7
642.49506	0.7
691.34174	0.7
723.17413	4.9
723.41302	6.2
724.17322	1.4
724.41595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01376	8.3
60.99305	2.0
65.03922	0.9
67.01878	7.2
69.03450	1.7
69.33813	1.5
69.34217	5.1
71.01376	6.7
72.42063	0.8
73.02938	1.0
81.03446	1.7
83.05045	2.0
84.89938	0.7
85.02950	12.6
87.00871	8.8
87.04498	1.1
89.02431	1.3
93.03450	50.5
94.03796	1.4
96.96004	13.3
98.95588	5.4
98.96391	0.7
99.00897	0.9
99.04507	2.2
101.02448	1.9
101.06061	2.2
105.03461	1.8
109.02927	3.8
111.04506	8.2
113.02444	2.7
115.04014	1.0
119.03511	1.0
121.02940	1.0
125.02462	2.3
127.04002	2.2
132.02164	7.6
133.02943	16.9
134.03770	1.7
135.04515	15.5
136.04868	1.0
137.02431	3.7
143.03464	1.7
145.02873	1.1
149.02419	0.9
155.03531	1.6
160.01643	17.6
161.02437	7.3
171.02948	0.9
173.04529	23.0
175.04007	0.7
176.04865	1.0
177.01875	8.8
178.02644	3.6
179.03467	9.6
180.03963	0.7
185.02432	0.9
191.05588	100.0
192.04315	1.3
192.05940	3.3
193.05034	6.9
207.06676	1.2
215.05554	7.2
220.03629	1.7
221.04143	0.9
269.04523	3.1
275.20065	1.0
289.07257	1.2
307.08224	0.8
321.20706	6.5
351.07074	21.0
352.07669	2.3
365.19586	23.2
366.20224	2.0
367.10312	9.0
369.09665	7.8
370.10208	0.9
389.14371	2.4
411.10666	5.7
531.15045	12.1
532.15137	2.0
543.14948	25.1
544.15149	3.2
549.15759	1.2
592.07501	0.8
723.21252	45.7
724.21954	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	721.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.00574	0.9
59.01363	7.2
61.98827	1.4
69.03453	0.7
71.01379	5.6
71.28902	1.3
73.02924	0.9
81.03436	1.0
83.01386	1.1
83.05008	1.2
85.02946	2.0
87.00867	1.2
89.02437	4.1
95.01412	0.9
95.05003	3.6
96.54436	0.6
97.02927	3.4
97.06554	0.7
99.00871	0.8
99.04530	0.7
101.02441	4.4
107.05006	0.7
109.06576	6.8
110.03725	2.1
111.04492	1.7
113.02444	2.7
119.03455	1.2
123.08170	0.7
135.08119	0.8
143.03435	1.0
145.10233	0.9
153.12756	0.7
161.04489	1.9
161.09735	1.7
163.11263	9.8
169.12270	1.0
179.05576	1.9
179.10735	2.0
181.12288	1.8
189.09140	4.9
197.11803	1.0
207.10237	32.7
208.10474	1.8
209.11861	1.1
225.11287	100.0
226.11638	6.8
235.08240	3.5
253.09256	8.4
267.12534	0.6
275.20309	0.7
277.21680	47.4
278.21994	4.6
299.14948	1.2
407.33704	0.6
443.19058	7.8
444.19263	1.5
461.20242	23.4
462.20535	3.1
538.88123	0.8
721.41443	13.0
722.42017	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	723.1709
Annotation	Itoside N
Peak:m/z	Relative Intensity
53.04379	0.4
61.98828	1.0
63.02402	0.8
65.00309	0.6
70.63463	0.5
70.63824	1.1
71.01364	0.8
78.22873	0.4
81.65231	0.3
83.01369	0.4
93.03450	1.8
96.95975	0.4
98.20537	0.4
107.01382	1.0
109.78901	0.4
115.00349	0.4
117.03449	15.3
118.03793	0.5
119.04987	2.7
121.02940	0.8
123.04523	0.6
145.02936	18.4
145.04092	0.9
146.03287	0.8
149.02443	1.5
151.00296	1.0
158.69902	0.3
159.04494	0.8
160.55646	0.4
163.03964	0.8
181.06557	0.4
183.04407	0.6
183.08195	0.5
200.04811	0.5
209.06163	0.6
210.04773	0.8
210.06819	17.3
211.07607	100.0
212.07930	8.6
225.05496	0.8
235.07701	0.4
239.03517	0.7
240.04160	1.0
268.03714	34.8
269.04477	49.2
270.04865	3.6
295.66418	0.4
310.12369	0.4
311.05521	1.8
335.05408	0.4
453.11444	0.6
511.08728	86.9
512.09052	13.3
512.16669	0.7
531.61255	0.4
551.53082	0.4
654.57648	0.4
668.27307	0.4
723.16980	14.8
724.17480	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	720.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
60.01705	0.2
61.98825	100.0
62.98542	0.2
68.65430	0.2
70.82263	0.2
71.62819	0.3
78.95903	0.6
104.11604	0.2
109.06533	0.2
117.03422	0.3
133.49954	0.2
152.99576	0.5
153.90558	0.2
171.10216	0.4
183.06639	0.2
207.10262	0.7
225.11369	0.8
255.23303	1.4
272.62271	0.2
277.21692	1.0
279.23257	0.4
471.67908	0.2
483.27356	0.6
484.27832	0.2
499.14423	0.4
500.14923	0.2
570.18774	0.4
574.19092	0.3
586.74060	0.2
601.21680	0.4
602.21204	0.9
660.22083	0.4
720.23267	3.7
721.22137	1.2
721.42303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89544	0.1
58.85726	0.1
59.01382	0.3
59.37103	0.1
61.98824	100.0
69.38141	1.3
71.01389	0.3
71.49577	0.1
74.74561	0.1
80.16859	0.1
85.02940	0.1
88.98767	0.1
96.95996	1.7
121.02963	0.4
137.02409	0.2
148.06786	0.1
165.05466	0.2
174.01685	0.1
196.68010	0.1
200.67880	0.2
203.47853	0.1
206.99091	0.2
209.11769	0.8
210.12155	0.4
211.13350	0.6
212.13852	0.2
227.12849	0.2
255.23172	0.2
294.91324	0.1
329.96524	0.2
448.12326	0.2
483.27328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17270	2.4
57.21213	2.3
59.01374	12.4
61.98826	66.0
71.01385	20.0
71.62642	2.8
78.98564	5.4
79.95734	6.5
80.26962	2.8
80.96056	3.1
80.96509	36.3
85.02911	3.6
87.00849	4.4
89.02425	13.5
89.76247	2.6
94.98078	6.1
96.96005	36.5
99.00826	2.9
101.02446	11.5
112.98786	4.9
113.02448	4.1
115.00376	2.9
119.03458	7.6
121.02941	2.8
125.00526	2.6
125.02420	7.0
137.02411	4.8
143.03427	4.9
145.02933	2.7
148.99141	2.6
155.10745	5.2
161.04512	5.5
164.98584	3.7
171.10173	6.3
179.05589	13.6
209.11816	10.9
225.00693	11.2
227.12823	9.7
331.17593	20.4
331.38309	2.7
341.23175	3.1
353.23328	30.3
354.23679	3.1
357.26105	3.6
371.24362	57.4
372.24683	6.3
373.25735	6.1
501.30069	2.5
575.20068	5.7
665.18701	3.3
685.41229	7.0
721.29761	23.2
721.40814	100.0
722.28845	4.6
722.41229	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	719.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46791	0.7
55.57436	0.7
59.01384	6.2
70.02414	0.7
71.01366	5.4
71.61471	0.9
89.02441	8.6
89.40504	0.7
91.95010	0.8
94.59027	0.7
96.96009	4.8
101.02437	3.6
113.02447	2.7
115.14708	0.8
119.03495	2.9
179.05574	3.7
192.53255	0.7
215.03252	4.5
300.23868	0.7
341.10858	20.0
342.11041	1.6
377.08521	100.0
378.08926	7.4
458.09860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03438	0.2
59.01371	3.2
61.98824	6.3
66.80499	0.2
69.03461	0.2
71.01366	3.5
71.30949	0.3
73.02937	0.5
74.51822	0.2
80.02676	0.9
81.03439	1.5
83.01383	2.4
83.05016	4.7
84.02153	1.2
85.02927	1.0
87.00883	0.7
89.02441	1.9
93.03431	0.4
95.01371	0.2
95.05032	0.7
96.96014	1.8
97.02943	0.6
97.06608	0.4
99.41787	0.3
101.02438	2.9
109.06565	0.3
113.02457	1.4
117.03435	0.2
119.03486	0.7
123.04535	0.3
123.08209	0.3
125.02422	0.5
125.06067	0.6
125.09720	2.8
127.11265	0.7
133.05005	0.2
135.08163	0.6
137.02402	0.4
142.69948	0.2
145.02917	0.5
145.05022	0.3
147.11751	0.4
149.02477	0.2
150.03226	0.5
151.03932	0.3
153.02350	0.2
153.12701	0.2
161.04529	1.5
163.04034	0.2
163.11272	4.1
164.11523	0.3
165.05562	0.4
165.12839	2.4
166.13226	0.2
171.10251	1.6
177.01855	0.3
179.05598	0.5
181.05055	0.4
181.12325	0.7
182.13141	0.3
191.10748	2.7
192.99692	0.2
195.06709	0.4
197.15437	0.2
206.66507	0.2
207.10228	0.3
208.01904	0.4
209.11806	100.0
210.12135	6.9
211.13336	0.3
212.06801	0.2
223.04242	1.0
223.13390	0.6
226.12051	0.7
227.12871	10.6
228.13193	0.5
235.08171	3.1
241.14401	1.4
243.16013	0.6
253.09261	11.8
254.09627	0.6
273.17044	82.3
274.17377	6.8
373.25845	0.3
389.25375	0.2
445.20911	1.2
446.21573	0.2
455.15659	0.2
463.21451	0.3
465.28519	2.2
483.29471	0.4
509.25867	1.6
510.26471	0.2
549.06641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48548	0.9
58.83200	1.2
59.01372	7.0
63.24486	1.0
70.93368	2.2
71.01366	5.9
89.02443	12.6
101.02441	3.4
113.02423	3.4
119.03492	4.0
135.62682	0.9
143.03513	1.6
161.04564	1.2
179.05592	4.9
199.82922	1.0
215.03247	4.2
247.54523	1.0
268.15497	1.1
341.10849	23.0
342.11127	2.2
377.08527	100.0
378.08890	8.4
503.98361	1.1
570.56958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88774	4.3
53.88080	4.6
59.01369	15.5
61.98832	27.8
71.01369	9.7
88.48357	4.7
89.02432	11.2
98.20571	9.8
101.02438	7.9
119.03506	5.5
129.56238	4.6
143.03493	6.8
147.90579	4.4
161.02362	6.2
171.10228	6.5
209.11771	14.2
217.49228	5.4
235.08136	9.7
246.13824	5.4
255.23233	19.4
279.23190	5.3
283.26337	42.4
315.01450	4.8
335.20529	5.3
397.13477	100.0
398.13779	11.5
398.26755	5.2
415.14243	24.3
435.73099	4.8
681.40668	14.0
717.37769	82.9
717.48120	5.9
718.40619	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92762	0.8
59.01374	100.0
59.92034	0.7
60.01698	1.3
61.31809	0.6
61.98825	40.6
78.95878	1.0
96.96008	1.1
99.21643	0.7
111.97330	0.7
113.74911	0.7
146.08730	0.7
192.20815	0.8
209.11772	1.2
217.67653	0.7
277.21750	1.2
287.25104	1.0
441.15820	1.0
453.11655	1.4
457.18723	1.4
459.16882	1.8
467.13232	1.8
474.15283	0.8
480.14053	1.1
481.11591	3.1
495.17249	2.2
496.13657	14.5
497.14316	8.7
498.15140	3.2
510.15488	5.1
511.16058	8.0
512.16742	3.3
513.17480	4.2
520.88470	0.9
524.16022	0.8
528.12939	1.0
530.14294	1.7
539.19263	1.9
544.16003	4.6
545.16705	1.3
553.17389	1.4
567.18878	11.9
568.09991	0.8
568.18921	3.2
570.17773	2.1
571.18298	10.8
572.18872	2.3
589.19812	1.0
597.19672	2.6
598.20386	3.5
599.21429	34.0
600.21753	10.3
602.16333	3.2
625.18823	1.2
629.42139	1.0
630.19177	2.5
631.20129	3.4
657.21960	15.9
658.21844	5.2
681.67126	0.8
717.24091	94.4
718.24408	31.4
718.37476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56705	0.4
52.53215	0.5
53.62095	0.4
59.01377	3.9
61.98820	9.2
64.62072	0.4
69.03444	0.6
69.54559	1.7
69.54980	1.3
71.01380	2.4
73.02932	0.6
80.02688	0.5
81.03432	0.6
83.05019	2.6
85.02950	0.8
87.00861	1.0
89.02438	1.7
95.05025	0.6
96.95996	1.9
98.19772	0.7
101.02417	2.4
113.02418	1.1
135.08221	0.6
161.04526	1.5
163.11292	1.8
165.12849	1.4
167.14392	0.8
171.10207	1.2
181.12257	0.6
183.13869	6.1
193.12303	1.5
209.11801	61.5
210.12166	4.3
211.13361	100.0
212.13724	6.1
227.12863	9.9
228.13144	0.6
235.08125	3.2
249.15089	0.6
253.09224	6.7
365.44406	0.5
403.24847	0.6
429.20901	0.6
445.20819	1.1
447.22189	7.2
448.23230	0.6
639.33868	0.6
717.36609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57702	0.1
59.01368	0.5
61.98825	100.0
62.98532	0.2
67.27502	0.1
69.86172	0.4
71.01402	0.4
85.02969	0.1
87.00874	0.1
89.02440	0.4
92.12263	0.1
101.02453	0.3
113.02420	0.1
118.40513	0.1
125.02439	0.1
129.59267	0.1
138.09883	0.1
143.03488	0.1
209.11838	0.1
235.08353	0.1
239.66357	0.1
255.23262	0.6
256.23611	0.6
257.24002	0.3
307.82907	0.1
313.25818	0.1
397.13495	0.3
398.13998	0.4
399.13950	0.6
400.14453	0.3
416.14972	0.1
417.15256	0.2
513.54443	0.1
607.63354	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29060	0.2
54.69867	0.2
55.35620	0.2
59.01374	1.4
61.79615	0.2
61.98822	100.0
62.98529	0.2
66.06416	0.2
66.08672	0.2
67.26688	0.2
68.63976	0.2
71.01388	0.8
71.62796	0.2
89.02425	0.5
101.02430	0.3
125.02442	0.2
179.37309	0.2
200.94435	0.2
255.23337	0.7
256.23688	0.6
257.23907	0.2
397.13632	0.5
398.13733	0.7
399.14136	0.9
400.14337	0.5
411.45969	0.2
417.15118	0.3
418.15552	0.3
418.56607	0.2
436.08426	0.2
505.49951	0.2
570.18140	0.2
577.27002	0.2
600.63312	0.2
717.23322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98826	23.5
63.50251	2.2
67.03159	2.1
71.62538	3.4
80.96523	4.2
86.44730	2.3
107.89477	2.1
116.92841	4.0
139.57986	2.2
320.46472	2.3
422.19827	2.5
457.19043	2.7
496.14160	13.8
497.14243	6.7
510.15698	4.5
511.15979	7.2
513.17700	2.7
530.14703	2.5
544.15436	4.1
551.15930	2.4
567.18494	10.6
571.17853	7.5
577.26593	6.8
598.20740	4.0
599.21320	36.3
600.21899	11.4
602.16418	3.0
630.19543	3.2
657.21997	16.6
658.21558	3.2
717.24023	92.8
718.24384	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78556	0.4
54.53413	0.4
55.09286	0.4
59.01376	1.9
61.69678	0.3
61.98820	1.7
63.20452	0.3
70.14188	1.6
70.82333	0.3
71.01378	2.0
73.02928	0.4
80.02654	0.5
83.01360	0.4
83.05022	1.7
85.02931	0.7
87.00865	0.5
89.02456	1.0
94.53624	0.3
96.95997	0.7
101.02439	2.4
113.02413	0.5
114.96761	0.4
161.04520	0.7
163.11267	1.2
165.12767	0.9
171.09981	0.4
175.27927	0.4
181.12230	0.4
209.11806	100.0
210.12160	6.6
226.54274	0.4
227.12866	5.8
235.08167	4.6
253.09203	5.0
413.77283	0.4
421.93304	0.5
445.20697	2.7
446.21158	0.5
716.38080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32855	0.5
59.01370	1.6
61.98825	7.3
63.08489	0.5
67.90365	0.5
71.01366	2.0
83.05022	2.2
89.02439	1.0
92.00872	0.5
101.02417	1.1
163.11272	2.1
165.12848	1.0
171.10222	1.0
198.70683	0.5
209.11797	100.0
210.12117	6.0
211.13338	1.1
215.83665	0.5
227.12823	8.0
235.08360	1.3
253.09236	4.1
254.09613	0.7
293.21075	0.5
367.16376	1.1
411.34052	0.5
445.20764	2.3
681.85980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91987	0.8
59.01371	26.8
67.66941	0.7
70.99603	1.6
71.01319	0.7
72.99289	2.3
79.41673	0.8
84.08321	0.8
87.39995	0.7
91.35267	0.9
92.45087	0.8
98.40302	0.8
99.88031	0.8
103.05480	1.4
104.93855	0.7
107.01370	1.9
109.02901	0.7
116.69772	0.7
119.05022	5.6
121.02921	1.2
147.04507	68.1
148.04843	3.7
151.00352	6.3
162.19707	0.9
163.00337	1.7
165.05550	60.4
166.05887	3.0
174.69395	0.8
178.99861	2.5
179.02312	0.8
207.06604	43.9
208.06917	3.0
209.85957	0.7
220.17084	0.7
243.03055	4.2
245.04811	0.8
254.02271	1.5
255.02971	13.6
256.03268	0.9
270.99606	1.7
271.02441	27.1
271.05386	1.6
272.02817	3.5
285.04242	1.5
286.04175	0.8
297.84937	0.8
300.02716	67.0
301.03421	30.6
302.03876	2.0
463.08768	100.0
464.09024	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	713.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30497	0.3
55.01873	0.6
57.03437	1.1
59.01370	5.9
61.98821	1.9
69.41974	3.1
69.75399	0.3
71.01378	5.3
72.99303	4.0
73.02958	2.5
75.00859	0.9
83.01379	1.7
84.67516	0.3
85.02950	3.1
86.00111	0.5
87.00849	0.8
87.04510	0.5
89.02428	0.9
93.03441	0.4
95.01369	0.8
96.96001	1.3
98.19873	0.8
99.00888	1.3
101.02425	5.3
113.02425	2.5
121.02931	0.4
125.02424	0.5
125.34676	0.3
135.04512	0.7
135.38647	0.4
140.04379	0.3
151.00333	0.4
161.06120	0.3
170.48849	0.4
179.03479	0.5
191.03513	0.7
191.05460	0.5
209.11798	0.5
219.19258	0.4
243.76190	0.4
268.43250	0.4
297.11542	0.4
357.27829	0.4
399.32730	0.7
427.32224	0.7
445.33200	1.6
489.32187	1.6
495.78033	0.4
593.36993	0.4
607.38422	0.9
623.37708	0.8
666.97235	0.5
695.35687	0.6
695.60577	0.4
713.37463	100.0
714.37799	21.6
714.50592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
59.17929	0.3
69.28660	0.4
71.01372	0.7
71.39029	0.4
83.05047	0.4
96.95988	1.9
101.02446	0.6
135.04498	0.9
165.01852	0.5
166.66307	0.4
179.03471	0.7
453.42331	0.4
471.16122	0.4
677.49841	2.3
678.49554	0.7
713.36823	7.4
713.47284	100.0
714.37280	1.2
714.47583	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	713.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.7
61.98831	10.1
64.02303	2.6
71.01373	9.7
71.32593	4.3
71.32957	3.2
88.98808	4.9
89.02427	15.7
96.96005	7.6
97.02942	3.1
101.02463	9.8
113.02428	6.2
113.10304	3.0
116.92878	3.5
119.03434	6.9
125.02439	7.2
161.04616	4.2
179.05553	3.4
194.17134	3.0
235.08176	8.0
252.43481	3.3
276.14813	2.7
279.23264	56.6
297.86011	3.0
365.47098	3.2
382.60284	3.2
395.72745	3.2
397.13486	100.0
398.13577	6.0
415.14508	32.7
677.37128	11.7
713.35211	73.0
714.35425	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70897	0.4
55.01866	2.0
57.03427	0.9
58.00570	1.3
59.01095	0.5
59.01375	7.9
70.15262	1.4
70.15603	0.4
71.01375	8.6
72.99287	1.5
73.02944	3.4
83.01397	2.1
85.02943	5.2
87.00844	0.8
87.04517	0.4
89.02425	1.4
95.01363	1.3
96.95985	2.1
99.00867	1.0
101.02432	6.0
113.02445	3.3
114.22820	0.3
119.03476	0.7
156.00533	0.4
161.04536	0.7
174.01779	0.4
177.12793	1.2
178.47127	0.4
179.05534	0.6
298.62146	0.4
303.47498	0.4
383.29507	0.6
461.32605	1.3
505.31387	1.5
551.32178	0.4
713.37439	100.0
714.37769	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	713.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85972	0.3
57.03426	0.5
59.01371	4.6
63.02405	0.8
65.00323	0.4
69.49929	2.1
69.50332	0.5
71.01387	2.1
72.99302	0.8
75.00863	0.8
83.01368	0.5
85.02944	2.7
87.00864	1.0
89.02441	0.6
91.86477	0.3
98.19816	0.5
99.00874	0.9
107.01387	1.3
109.02943	0.6
113.02431	2.8
115.00343	0.4
119.05059	0.4
121.02959	0.7
133.02937	5.1
134.03297	0.4
147.04520	6.6
149.02423	1.8
151.00357	2.8
154.12859	0.3
165.05562	5.2
168.70943	0.3
175.02635	0.4
175.03989	1.9
176.04298	0.4
192.31361	0.4
198.03320	0.4
199.03973	2.0
201.01915	0.6
207.06590	2.1
213.05562	0.4
215.03685	0.4
217.05090	1.0
222.64336	0.3
223.03989	0.4
241.04944	0.8
243.02928	0.6
257.04590	0.5
267.02853	0.4
279.74786	0.3
284.03183	0.5
285.04022	100.0
286.04388	8.5
297.04013	0.6
327.05157	0.9
335.62381	0.3
357.06171	1.1
381.07092	0.5
456.34158	0.3
461.07214	49.3
462.07639	5.7
488.82236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.00569	0.4
59.01377	36.8
60.01699	0.4
71.01379	8.4
71.62778	0.5
72.99309	0.6
73.02926	0.5
83.01369	0.5
83.69148	0.3
85.02950	2.0
87.00908	0.6
89.02436	8.8
95.01378	0.5
96.96029	0.9
101.02437	7.0
103.75989	0.4
113.02442	3.6
113.04375	0.4
119.03499	3.4
119.05027	0.3
121.02954	0.6
125.02470	0.7
163.03972	0.6
163.11269	4.5
164.11591	0.4
179.05684	0.4
191.05603	1.4
207.10245	8.2
208.10521	0.4
325.09164	0.4
387.16565	100.0
388.16898	11.0
713.22308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74118	4.2
59.01385	11.7
61.98823	33.0
69.66251	28.0
71.01363	15.9
71.96464	4.6
89.02431	12.0
101.02415	10.8
116.97233	13.0
137.75760	4.3
190.56180	4.7
277.21472	5.2
279.23242	40.9
280.23529	5.1
296.62604	6.4
397.13458	100.0
398.13837	8.6
415.14694	24.3
508.95334	4.8
677.36804	8.7
713.35095	62.7
714.35071	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	711.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03423	0.6
58.00580	0.4
59.01375	4.6
69.66490	1.0
69.66917	0.6
71.01378	6.3
72.99301	5.6
73.02943	3.4
74.59425	0.2
75.00861	0.8
78.27826	0.2
83.01372	2.0
84.02145	0.2
85.02943	3.9
85.79962	0.2
86.00086	0.3
87.00855	0.4
87.04502	0.3
88.57290	0.2
89.02418	0.5
95.01376	0.6
98.19867	0.5
99.00846	0.8
101.02434	4.5
113.02438	2.5
114.51617	0.2
127.09851	0.2
159.02963	0.2
161.04550	0.3
224.67899	0.2
251.12898	0.6
323.83240	0.2
378.85248	0.2
425.30029	0.3
431.19501	0.2
459.30725	0.4
603.35443	1.4
604.35431	0.5
621.36670	0.3
631.34949	0.9
649.35895	2.8
650.36041	0.7
665.34375	1.1
667.37140	0.7
693.34540	3.8
694.35510	0.9
711.35870	100.0
712.36273	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	711.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98397	0.6
59.01384	3.6
61.99852	0.5
68.25424	0.5
68.99806	0.8
69.44542	4.2
71.01363	3.4
72.99281	1.7
73.02937	0.6
75.00874	3.3
83.01386	0.7
85.01019	3.7
85.02941	1.9
87.00846	0.7
88.98815	1.1
89.02421	0.7
91.31995	0.5
93.03428	1.5
95.05019	2.2
96.96022	2.9
99.00882	1.3
101.02428	1.9
103.00360	1.4
112.98814	3.0
113.02455	2.5
115.00353	1.0
115.02076	1.0
116.92783	0.6
117.03464	4.0
119.05011	20.9
120.05326	1.5
121.02930	1.5
123.04516	0.6
124.98826	0.6
125.02447	1.7
127.02122	0.8
129.01901	1.3
132.05809	1.8
133.05794	0.5
133.06612	6.4
139.02040	0.9
139.03975	1.0
142.99841	0.6
145.01422	4.2
145.02937	17.6
146.03305	1.1
147.04453	0.5
157.01410	1.6
157.03136	1.1
159.57309	0.6
161.04761	0.7
161.06064	12.7
162.06435	1.3
163.04002	22.2
163.05386	1.1
164.04350	1.7
169.03099	1.1
171.01006	0.7
175.09764	0.9
177.05540	3.9
187.02481	0.7
187.04105	2.3
191.05589	1.4
202.03578	0.5
205.05035	9.5
206.05450	0.6
236.14684	0.5
263.05753	1.1
265.07034	1.2
327.08844	1.6
345.09991	5.2
359.07889	1.1
386.16858	0.5
387.23514	0.5
491.13651	3.9
492.13669	0.7
505.15094	0.9
547.14978	0.6
630.62048	0.5
679.16553	0.6
711.19446	100.0
712.19720	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	711.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.6
61.98823	1.4
64.26121	0.7
69.24384	7.2
71.01381	5.1
72.99306	2.4
73.02929	1.5
75.00871	2.4
79.95695	0.8
83.01372	1.8
85.01025	3.4
85.02937	2.9
87.00881	1.7
88.98811	1.6
89.02440	2.3
93.03450	2.0
95.01407	0.8
95.05001	2.2
96.96001	13.1
98.00124	0.8
98.95585	1.0
99.00898	1.3
99.04485	0.8
101.02428	3.1
103.00371	1.5
109.02967	0.7
112.98788	5.1
113.02449	3.6
115.00358	0.9
115.02065	1.1
117.01903	0.7
117.03448	7.5
117.05552	1.8
119.05016	24.5
120.05366	1.5
121.02945	1.5
124.98781	1.4
125.02438	3.4
129.01888	1.0
132.05737	1.4
133.02953	1.5
133.06587	5.5
137.02397	1.5
139.03954	1.3
145.01421	7.2
145.02937	32.3
145.08676	2.8
146.03264	2.2
150.03186	1.1
150.60335	0.7
156.00658	1.4
157.01381	1.9
157.05003	1.5
161.06068	10.9
162.06404	1.4
163.03996	18.7
164.04401	1.2
167.03452	0.7
176.17587	0.7
177.01898	13.7
177.05472	1.2
179.03412	1.1
187.02583	1.3
187.03986	1.3
187.09766	1.4
191.05579	2.0
205.05045	8.3
207.13800	1.0
215.03833	3.3
251.12921	1.4
263.05704	0.8
265.07098	3.3
327.08841	2.0
345.10086	4.3
359.07718	1.2
359.11655	1.7
425.11316	0.8
491.13480	3.9
492.13980	1.0
505.15036	0.9
533.14191	1.5
544.36975	0.8
679.15826	0.9
711.19458	100.0
711.35199	11.1
712.19788	20.8
712.34271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25536	0.5
55.01854	1.0
59.01379	4.3
65.67947	0.5
67.44044	0.5
68.99797	1.0
69.43568	3.5
71.01384	4.4
72.99298	1.7
73.02950	1.2
73.75607	0.6
75.00875	3.6
83.01369	1.6
84.99277	0.5
85.01007	3.4
85.02914	2.1
87.00859	1.1
88.98812	0.7
89.02399	1.5
93.03418	1.8
95.05019	2.3
96.96024	3.1
97.02946	0.5
98.00039	0.7
99.00851	1.7
101.02415	2.2
103.00353	1.9
112.98801	4.4
113.02410	1.7
115.00335	1.7
115.02055	0.8
117.01957	0.7
117.03445	4.2
119.05017	23.6
120.05350	1.2
121.02934	4.5
121.80194	0.6
121.92862	0.5
124.98747	0.7
125.02370	1.5
129.01910	0.7
132.05798	1.4
133.06590	6.3
134.06903	0.7
139.02109	0.7
139.03979	0.7
141.26054	0.5
142.99828	0.9
145.01401	5.0
145.02925	18.6
146.03291	1.2
147.04509	0.6
157.01456	2.8
157.03146	0.9
157.04968	0.6
159.02959	0.7
159.04445	0.5
161.06053	13.1
162.06314	0.9
163.03993	21.5
164.04294	1.4
169.03152	0.7
177.05566	3.2
187.02461	0.9
187.04080	1.7
205.05043	8.5
207.77664	0.6
217.63049	0.6
247.06483	0.6
249.07889	1.1
263.05692	0.8
265.07162	1.6
283.08148	1.2
316.38666	0.5
327.08795	0.8
345.09973	4.2
359.07751	1.6
415.71362	0.7
448.08929	0.5
473.12634	1.1
491.13727	3.8
492.13528	0.8
505.14877	0.7
521.30194	0.7
549.16565	0.7
679.15936	0.7
711.19427	100.0
712.19720	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.9
61.98812	1.2
63.96222	1.8
71.01376	7.0
71.48543	1.6
73.02928	1.3
73.89512	0.6
78.98576	5.5
79.95730	10.3
80.96512	65.5
85.02939	2.3
87.00854	3.3
94.98078	15.9
95.26824	0.7
96.95978	1.0
97.02959	1.5
99.00847	1.1
101.02438	3.5
106.98058	3.3
122.97560	3.0
123.11761	0.8
125.02419	2.8
127.04028	0.8
134.97578	4.8
136.99121	1.2
148.99081	5.4
152.98604	6.4
163.99396	0.7
164.98610	12.0
171.10199	1.8
206.99611	2.4
219.60649	0.8
225.00703	17.1
226.01039	0.8
239.51740	0.7
255.23300	1.4
279.23154	2.4
295.42886	0.7
453.14185	3.1
537.27081	1.2
664.94043	0.8
709.38293	100.0
710.38641	20.5
710.48395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03444	0.9
59.01372	5.5
61.98814	0.6
69.45349	0.8
69.45753	2.6
71.01379	4.9
73.02934	1.0
76.35863	0.4
77.89804	0.3
78.95904	2.9
81.03441	0.6
83.01389	0.9
83.05014	1.0
85.02927	1.4
86.12098	0.4
87.00864	0.8
89.02442	3.8
95.05025	0.6
97.06576	3.2
101.02425	3.7
113.02448	2.5
119.03475	1.0
125.09715	0.5
133.04930	0.4
143.03484	0.6
151.10054	0.7
151.11267	12.6
152.11627	0.7
152.99567	3.6
161.04515	1.9
169.12318	95.1
170.12675	5.1
171.00584	0.6
177.09113	0.4
195.10205	2.0
201.11316	4.3
209.11780	4.3
213.11299	10.2
214.11624	0.7
227.12920	0.5
235.08151	1.3
253.09222	3.0
253.21701	0.6
277.21680	23.9
278.21848	1.9
279.22980	0.5
401.34882	0.5
431.19232	2.6
449.20206	6.7
450.20740	0.8
455.16980	0.4
473.17850	3.2
624.82056	0.4
691.38458	1.0
709.41510	100.0
710.41895	23.1
710.51666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.7
60.83595	1.0
61.98822	20.6
66.33331	1.2
69.12032	1.1
71.01379	3.9
71.22353	1.3
71.22709	1.3
72.99297	2.0
79.95711	2.2
80.02656	1.5
82.95396	1.7
83.05006	3.4
85.02931	1.9
85.37436	1.1
88.98796	3.4
89.02437	2.1
93.03473	2.0
96.96000	44.2
101.02441	3.5
106.75603	1.1
109.02921	2.1
113.02437	1.9
116.05669	1.2
116.92838	2.0
119.03434	1.3
119.05006	1.8
121.02917	1.4
124.81059	1.2
125.02435	1.8
145.02931	5.2
145.42017	1.2
161.02510	1.2
161.04601	1.5
163.11290	2.0
165.01901	1.7
171.10240	25.1
177.01984	1.1
209.11809	100.0
210.12144	7.3
211.13408	1.3
217.60645	1.1
219.77487	1.0
227.12874	25.2
228.13278	2.0
235.08221	3.5
253.09253	6.5
359.27493	1.4
371.24316	2.8
445.20694	8.8
463.21484	2.2
510.54788	1.2
637.31934	2.8
655.33624	1.3
673.34833	1.6
709.31860	26.9
710.32275	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	709.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	60.4
60.01709	0.6
69.73660	0.8
69.74075	1.9
71.01363	1.0
74.54080	0.4
83.42480	0.5
85.02951	2.9
85.06569	2.2
96.95998	0.8
101.06077	3.4
103.00357	8.5
107.52913	0.4
113.06078	8.1
113.09695	3.8
121.02970	0.7
129.05576	5.5
129.09184	1.0
131.07141	4.7
133.02940	0.7
151.00317	0.9
157.08679	3.4
159.46561	0.5
175.09734	100.0
176.10056	4.3
191.05562	1.9
199.03880	0.5
212.06007	0.6
217.10777	22.9
218.11128	1.1
224.19318	0.5
244.50020	0.5
256.03812	1.0
261.09756	1.3
267.07513	0.6
284.03241	14.1
285.04010	32.1
286.04385	2.3
447.09271	35.1
448.09744	4.7
503.08026	0.5
691.26141	0.5
709.28052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28348	4.8
57.37682	4.0
59.01387	22.4
61.98824	86.0
70.52083	4.7
70.52429	15.2
71.01367	17.9
79.95724	5.3
83.04997	6.7
85.02929	5.9
88.98802	12.8
89.02455	7.6
92.00223	4.8
95.39032	4.7
96.95995	74.0
97.02956	4.8
101.02441	7.8
109.02927	8.5
109.06570	16.1
112.98592	9.0
113.02448	6.2
116.92857	10.5
121.02967	6.4
123.04541	6.2
125.02457	9.3
137.02443	5.2
138.01955	6.7
145.02931	13.6
145.05176	7.5
149.02431	5.7
151.00331	9.3
161.04547	4.6
163.03918	7.5
163.11238	11.7
163.32901	4.8
167.03293	5.3
178.99847	15.7
179.05637	4.7
203.99136	4.9
207.10234	55.0
209.11807	100.0
210.12128	8.9
217.48802	4.7
225.11363	35.0
227.13002	28.1
253.09296	12.5
317.38763	4.8
328.63135	5.3
357.26645	8.7
373.25449	6.1
399.21707	5.9
417.22711	6.7
461.20309	23.8
488.60181	5.0
514.29004	5.3
609.25568	5.1
635.30792	38.9
653.31873	28.5
654.31378	6.8
671.32361	46.4
672.33710	11.5
707.29865	56.3
708.30243	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	707.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70247	2.8
59.01370	10.4
60.99310	3.6
61.98830	39.7
68.99573	13.9
71.01371	12.9
79.94975	2.2
79.95696	3.0
80.96503	18.0
84.05273	2.4
85.02928	5.7
85.81038	2.9
87.00844	4.0
88.98786	11.5
89.02421	8.5
93.03397	4.5
94.98082	4.5
96.95995	22.3
98.20636	6.4
99.00848	3.8
101.02394	7.8
109.02908	7.4
112.04749	2.7
112.98564	13.9
113.02434	5.6
116.92828	6.4
117.03472	14.9
119.03472	3.4
119.04984	12.0
121.02893	4.9
125.02451	5.7
134.75049	2.5
135.04747	2.8
145.01868	3.2
145.02946	47.1
147.04431	6.5
151.00381	2.8
151.03941	3.4
160.79704	2.8
161.04529	3.5
163.03993	14.0
163.11165	4.8
164.98561	3.8
165.05608	3.4
171.10210	6.1
178.99782	3.1
181.12218	7.3
190.44456	2.5
207.10161	12.4
209.11803	64.0
210.12090	7.7
211.13542	3.5
225.00670	5.4
225.11310	46.3
225.13431	3.6
227.12866	22.9
228.13058	3.4
243.12051	3.7
253.09166	4.3
329.23282	5.2
373.25732	5.5
461.20020	24.3
545.26227	3.1
653.31549	20.1
671.32391	19.4
707.30524	100.0
708.30505	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76147	0.5
57.03445	3.0
58.00578	0.5
59.01377	35.2
62.46548	0.4
63.02404	0.8
65.00317	1.3
70.05637	2.2
71.01380	7.8
72.99301	0.7
74.99117	0.6
81.03430	0.7
83.01380	2.7
85.02934	1.6
87.00848	0.8
89.02437	7.5
93.03453	0.6
95.01395	0.9
98.20599	0.6
101.02439	6.8
107.01386	2.3
107.81752	0.4
109.02922	1.8
113.02454	2.7
119.03484	2.9
121.02892	0.8
124.01609	0.7
125.02439	18.2
137.02457	3.5
139.04010	1.8
147.00894	2.3
151.00360	6.8
152.01085	1.5
153.01909	5.2
159.04539	0.6
163.11273	3.6
165.01913	4.0
166.02626	0.7
167.03444	2.1
175.00336	8.5
176.00821	0.5
178.99837	5.9
181.01483	1.1
187.03960	0.6
191.03481	5.8
193.01395	42.3
194.01680	2.5
207.10246	6.5
213.05461	0.5
215.03488	2.7
229.04814	0.6
250.53033	0.5
257.04642	2.5
301.03528	5.5
319.04550	6.4
362.23889	0.5
387.16556	100.0
388.16946	11.1
463.49396	0.5
708.14337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.4
57.48936	0.2
59.01358	2.0
60.99300	0.8
67.01887	2.1
69.03436	0.9
69.60003	1.7
71.01376	3.1
73.02920	0.5
77.09640	0.3
81.03448	0.9
83.05034	0.7
85.02943	12.1
87.00862	6.1
93.03448	19.0
94.03792	0.9
95.01326	0.3
96.96000	3.0
98.00065	0.4
99.00868	0.5
99.04539	0.5
107.23073	0.3
108.02171	1.0
109.02926	3.3
111.04493	3.5
113.02397	0.4
114.19350	0.3
115.00372	2.4
115.03918	0.3
117.01960	0.7
121.02934	2.2
125.02422	0.6
127.03996	3.2
133.02968	0.6
135.04520	1.8
137.02428	4.9
138.02736	0.9
147.04482	0.4
149.05986	0.4
149.35944	0.3
155.03450	1.3
159.04500	0.4
161.02432	1.2
161.06026	0.5
163.03995	0.4
171.02950	0.8
173.04521	12.7
174.04829	0.5
175.03929	0.6
179.03464	0.5
187.04008	1.6
188.04730	0.6
191.05582	100.0
192.05919	3.8
213.01941	0.5
213.05627	0.5
214.02615	0.4
219.02997	0.7
224.04704	0.5
225.05540	0.6
226.06334	0.9
241.04994	1.8
242.03355	0.4
242.05811	6.7
243.06566	13.4
244.06879	0.4
251.07140	0.4
252.92398	0.3
267.06348	0.4
271.04520	1.0
271.09793	1.6
277.05032	0.6
279.06430	0.6
289.05234	1.7
295.06168	0.9
297.07654	3.7
298.07794	0.4
299.07693	0.6
300.08102	0.3
305.04507	0.8
323.05502	4.2
324.05887	0.7
341.06448	0.5
353.08765	1.1
371.88290	0.3
393.08096	0.3
463.10849	3.3
464.11099	0.6
515.11627	2.7
533.13043	1.2
707.18182	57.9
708.18481	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	707.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56491	0.4
59.01370	0.6
71.01363	0.5
71.61005	0.4
71.61447	0.6
79.95736	8.1
80.96489	0.6
85.02963	0.8
93.03447	1.4
96.96003	100.0
97.95966	0.4
98.07935	0.4
107.04990	0.4
121.02952	2.2
123.04499	3.4
125.02393	0.4
135.04485	0.6
138.97046	1.9
160.03941	0.6
177.58600	0.4
191.05600	4.0
192.05898	0.4
203.00142	3.1
215.13144	0.4
243.06599	0.6
259.01233	3.4
269.65521	0.4
365.05411	87.7
366.05673	7.0
707.18213	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	706.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90294	0.1
59.01375	0.5
61.98824	100.0
62.98536	0.1
67.26526	0.1
71.01392	0.4
73.64256	0.1
83.01396	0.2
83.05048	0.2
83.06030	0.1
85.02946	0.2
87.00877	0.2
88.98809	0.4
89.02460	0.1
96.96005	0.8
99.00849	0.1
101.02462	0.3
113.02449	0.2
117.03450	0.1
123.04516	0.4
124.04871	0.1
125.02421	0.2
137.02417	0.2
151.00421	0.2
152.03540	0.2
161.04475	0.2
167.03477	1.9
168.03897	0.4
171.10219	0.3
175.91048	0.1
178.99844	0.5
183.13916	0.7
184.14165	0.3
197.11783	0.4
198.12149	0.4
209.11816	1.4
210.12093	0.8
219.40451	0.1
227.12910	0.2
229.23518	0.2
325.66849	0.1
375.27573	0.2
674.34589	1.4
706.35559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.1
59.84793	0.1
69.53218	0.2
69.53626	0.4
79.95728	3.4
85.69331	0.1
96.81913	0.1
96.96000	100.0
97.95931	0.4
120.99626	0.1
137.02354	0.1
165.09196	0.4
169.74025	0.1
191.05499	0.1
245.04869	0.8
258.77213	0.1
271.02524	0.2
271.69464	0.1
285.03842	0.2
286.04129	0.1
290.07889	0.1
300.02698	0.4
301.03461	0.1
439.32352	0.1
459.05060	0.1
609.14337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16132	1.5
59.01378	8.3
61.98831	25.5
63.60578	1.4
65.64883	1.6
68.90906	1.6
69.80813	1.4
71.01368	6.7
71.25103	2.4
80.96499	4.0
83.04996	2.6
84.76911	1.3
85.02936	1.5
87.00892	1.6
89.02460	1.9
96.95988	6.2
101.02483	2.6
109.06591	1.7
113.02433	1.7
135.04294	1.5
144.30167	1.5
161.04549	3.0
163.11249	2.3
171.10162	2.8
195.13907	2.3
205.12328	3.4
209.11806	100.0
210.12161	6.9
211.13312	3.3
223.13354	55.4
224.13626	4.2
225.11235	2.3
227.12883	25.5
235.08185	2.8
253.09193	11.8
326.17502	1.9
371.24472	2.7
389.25290	4.9
441.21249	2.4
445.20526	9.8
446.21213	1.6
459.22482	6.7
516.72968	1.5
633.32135	1.6
642.89722	1.7
651.33826	9.4
669.34180	2.3
705.32300	47.3
706.32526	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	705.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84128	0.2
55.01852	0.3
59.01367	1.6
61.98824	1.3
71.01382	1.7
71.08169	0.4
72.62914	0.2
73.02934	0.3
76.58721	0.2
80.02660	1.0
81.03451	0.9
83.05016	4.4
84.02169	0.8
85.02950	0.4
87.00868	0.5
89.02433	1.3
95.05019	0.5
95.14782	0.3
96.96019	0.3
101.02437	1.9
113.02399	0.8
119.03472	0.5
125.06053	0.6
135.08105	0.6
145.02899	0.3
161.04568	0.9
163.11266	3.5
165.12817	2.2
165.92674	0.2
168.24294	0.2
171.10223	0.4
181.12372	0.4
184.40129	0.2
185.10146	0.2
191.10776	0.6
192.21930	0.3
209.11804	100.0
210.12129	7.1
222.24628	0.2
227.12868	13.8
228.13202	1.1
235.08121	1.6
253.09222	5.4
285.22882	0.3
350.55688	0.3
445.20850	1.5
459.76199	0.2
637.32135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65870	0.1
59.01376	5.0
60.01712	0.4
61.01794	0.1
61.98825	100.0
68.25234	0.1
78.95873	0.1
98.20726	0.1
189.26389	0.1
338.39731	0.1
395.70212	0.1
482.15671	0.3
483.15054	0.6
484.15421	1.3
485.16098	0.1
496.16339	0.1
497.17093	0.2
498.17133	0.4
499.17947	0.2
500.18546	0.2
514.44354	0.1
517.15179	0.1
542.16571	0.2
543.17145	0.3
556.18762	0.3
557.18774	1.0
558.19116	2.4
559.19543	0.2
574.15839	0.3
575.15540	0.5
589.17126	0.3
601.83527	0.1
612.20758	0.1
642.22382	0.1
643.22382	0.3
644.22827	1.5
645.22797	0.1
703.24628	0.5
704.24481	4.8
705.23914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09287	3.3
56.69956	2.9
57.89430	3.1
59.01366	6.1
61.98833	19.2
62.41545	3.2
70.03573	11.3
71.01373	8.2
75.39913	3.6
91.05362	3.7
96.95985	5.4
150.67151	3.3
205.12332	6.5
209.11780	67.0
210.12042	4.3
223.13362	100.0
224.13766	6.5
227.12894	23.6
235.08179	7.5
253.09103	6.7
345.65604	3.4
416.30185	3.8
445.20569	3.9
459.22336	33.2
594.38617	3.5
614.38080	3.7
651.33356	10.1
669.34772	7.0
705.32465	64.9
706.32990	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	703.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13626	34.0
58.10654	25.0
61.98803	100.0
71.61789	31.4
76.29158	28.2
103.85135	27.9
114.28221	34.6
121.98408	32.0
171.10214	83.7
189.51578	29.1
220.60484	30.8
221.83260	32.6
250.92397	38.8
277.21552	73.5
418.07068	33.3
703.38159	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11213	0.2
59.01371	3.3
60.01703	0.3
61.98823	100.0
62.98534	0.2
70.13084	0.9
75.25811	0.2
75.95786	0.2
89.68265	0.2
109.73538	0.2
113.20879	0.2
171.02077	0.2
183.01176	0.3
209.11798	1.5
255.23375	0.2
277.21692	1.2
284.01416	0.2
325.18497	0.9
326.18732	0.3
361.76428	0.2
483.15063	0.3
484.15494	1.0
519.54675	0.2
542.54596	0.2
556.18622	0.3
557.19189	0.6
558.18903	1.5
575.16229	0.4
644.22583	1.2
704.23712	3.6
705.23651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99098	12.2
55.09235	11.8
59.01350	22.1
60.05122	13.8
61.98827	86.7
69.79717	33.2
69.80139	45.4
72.33348	12.2
78.95882	18.4
171.10216	28.2
211.13408	100.0
223.13359	29.7
277.21744	12.5
285.03873	27.9
311.22067	20.5
672.51129	13.8
691.55414	14.3
701.33063	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18275	0.6
55.41150	0.6
57.03423	0.8
58.00580	1.5
59.01373	21.2
61.85857	0.6
63.04403	0.7
65.01482	0.6
65.75058	0.6
71.01376	12.2
73.02934	1.6
79.88742	0.6
81.03455	1.0
83.01384	0.9
85.02930	5.0
87.00864	0.9
87.04492	1.3
89.02431	8.2
95.01373	1.8
95.05003	0.7
96.95989	3.1
98.20739	1.5
99.00890	0.8
99.04501	0.6
100.08356	0.7
101.02444	5.4
107.49428	0.6
107.97159	0.6
108.02164	50.0
109.02959	24.3
110.03262	1.1
113.02444	3.0
119.03516	1.3
120.08476	0.6
121.02918	1.4
123.00846	1.6
123.04487	0.9
125.02360	0.9
130.31926	0.6
151.03970	1.8
152.01134	53.8
153.01923	22.0
163.03935	1.3
163.11247	1.0
165.01910	0.8
168.00613	0.8
171.49106	0.6
181.12291	5.0
195.01294	0.7
195.02928	1.0
207.10143	0.8
225.11287	3.1
229.96527	1.0
249.11278	0.8
251.09508	1.5
309.13324	0.8
317.14029	0.7
370.65945	0.7
479.19092	6.5
505.16949	1.2
508.55008	0.6
523.18097	17.8
524.18475	2.4
541.19415	0.9
659.24982	1.1
703.24396	100.0
704.24860	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	703.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06940	20.2
58.85205	17.4
61.80221	17.2
61.98823	100.0
70.89562	52.3
105.13863	19.5
171.10228	67.9
208.88338	20.6
277.21719	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35959	0.8
59.01374	100.0
59.97238	0.6
61.98838	1.4
64.47274	0.6
74.13479	0.6
78.95915	0.7
80.87847	0.6
98.19815	1.5
121.02997	0.9
135.97179	0.7
153.92412	0.8
201.70840	0.7
210.00681	0.7
250.45123	0.7
437.12646	1.3
438.13144	4.8
451.14539	1.0
452.14743	1.8
453.15350	0.9
478.19421	0.8
480.14304	1.5
481.15137	41.4
482.15341	10.8
495.16711	12.2
496.16953	3.1
497.18448	4.4
498.18210	1.5
509.18433	1.1
514.14874	2.3
523.16321	1.3
539.15930	2.1
540.16565	11.5
541.16913	2.8
553.17133	1.1
554.17975	2.7
555.18768	77.3
556.18927	18.8
567.18866	3.6
568.19238	1.9
569.20532	2.7
572.15387	25.2
573.15912	5.3
586.16803	4.5
587.16888	1.3
599.21735	1.7
609.19812	1.2
627.20618	1.2
641.22443	38.3
642.13245	1.1
642.22729	10.9
658.19403	1.5
701.24548	82.2
702.24866	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55262	2.8
54.63644	2.6
57.03446	4.1
58.15230	3.3
59.01134	3.2
59.01376	41.0
61.98830	44.7
68.93776	2.6
71.01364	23.7
71.58273	4.1
73.02951	4.4
75.00883	3.3
83.05019	7.1
85.02920	8.1
87.00844	6.0
88.98763	3.3
89.02418	15.3
95.01353	4.4
95.05019	4.6
96.96001	39.6
100.25278	3.1
101.02457	17.2
109.06591	3.1
111.08137	8.1
113.02426	9.4
117.03397	3.3
117.77882	3.1
119.03477	4.4
119.04967	3.3
121.02983	2.8
123.08138	5.0
125.09689	11.6
125.38132	2.9
127.11277	2.9
135.04446	2.6
137.85246	2.7
145.02905	6.4
150.03105	3.2
161.02426	3.9
161.04550	7.2
171.10248	73.8
172.10521	4.5
179.05540	4.0
181.08662	3.3
189.16505	3.1
205.15997	5.5
209.11920	14.0
211.13370	9.8
215.14319	8.3
231.13840	3.9
233.15401	19.7
235.08205	11.4
249.14909	29.1
253.09187	6.2
253.97147	3.1
313.25250	3.7
316.65936	3.0
341.24826	4.7
355.24661	5.2
373.25916	16.4
385.23874	24.1
403.24866	34.5
404.25290	3.4
407.19037	4.0
421.25766	6.8
485.24115	3.3
611.34009	3.5
621.32697	94.4
622.33075	21.5
639.33838	100.0
640.34106	19.4
699.37347	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	701.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.01710	1.3
78.43360	0.3
100.16613	0.3
102.92943	0.3
123.58064	0.3
125.76059	0.4
248.16273	0.4
300.88080	0.3
367.21191	0.3
423.10986	0.5
437.12527	0.8
438.13287	3.4
439.13684	0.8
451.14215	0.7
452.14752	2.0
453.15314	0.8
466.12518	0.6
467.13315	0.6
468.13409	0.4
469.11728	0.5
470.11960	0.5
480.14374	1.2
481.15134	31.4
482.15436	8.3
483.16528	0.5
495.16714	11.7
496.17355	3.4
497.18365	5.0
498.18561	1.2
514.14746	2.2
515.15222	0.8
523.16272	0.8
525.14099	1.5
528.15723	0.5
539.15741	1.7
540.16376	8.9
541.16553	1.7
551.18939	0.5
553.16699	0.4
554.17828	3.0
555.18793	50.8
556.19019	11.2
567.18921	1.0
572.15460	16.2
573.15454	4.0
586.17029	5.7
587.17358	1.5
609.19983	1.2
627.20636	1.5
641.22449	26.0
642.22662	6.5
701.24573	67.9
702.24878	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	697.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03443	10.1
59.01379	3.5
62.04467	0.7
70.93184	0.7
71.01374	11.0
71.63090	0.8
72.99300	12.2
74.99639	0.6
75.00856	3.5
76.98707	0.7
83.01382	1.7
84.02158	1.2
85.02943	100.0
85.05898	0.7
86.03287	2.1
87.00846	0.8
89.85972	0.6
96.96014	2.3
98.95608	0.7
104.72789	0.6
108.05476	0.6
111.00877	2.5
121.02938	22.7
122.03304	0.9
125.02457	1.3
129.01917	6.0
130.39270	0.7
133.06560	1.1
135.04485	5.5
137.02422	0.7
161.06026	1.0
173.00858	1.8
179.03523	1.0
189.05576	2.7
209.04373	0.7
248.50754	0.7
251.05573	51.1
252.05899	2.8
295.04547	23.5
296.04825	1.7
376.13620	0.6
387.16528	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	697.3797
Annotation	Platycodon saponin 1
Peak:m/z	Relative Intensity
55.01876	1.7
56.76705	0.3
57.03438	1.7
58.00571	0.5
58.58077	0.2
59.01374	7.9
61.98804	0.3
66.60585	0.3
69.69259	0.6
69.69659	1.2
71.01377	10.0
72.01745	0.3
72.91125	0.2
72.99290	1.2
73.02940	3.8
75.97826	0.2
83.01375	2.6
83.04997	0.4
85.02945	5.7
86.00090	0.8
87.00842	0.7
89.02431	1.5
90.10250	0.3
95.01375	0.8
96.95965	0.7
98.20599	0.5
99.00844	0.9
101.02435	8.7
113.02444	3.9
119.03465	0.7
125.02403	0.5
145.02939	0.4
159.02905	0.3
161.04453	0.7
177.12810	1.2
299.18576	0.4
341.10672	0.5
373.25757	1.0
383.29562	0.4
397.31400	0.3
399.28836	0.3
427.32162	0.4
445.33289	2.3
446.33191	0.3
455.24280	0.3
489.32394	1.3
535.32800	1.7
653.38495	0.5
697.37927	100.0
698.38306	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33741	0.6
59.01376	25.8
59.72478	0.6
63.02398	0.8
72.99302	2.6
96.95998	2.3
98.20654	1.7
103.05512	0.7
107.83564	0.7
109.03017	0.8
119.04995	5.2
121.43225	0.7
125.02411	0.7
128.03351	0.8
133.02934	2.6
137.02415	1.7
145.02969	0.8
147.04510	66.8
148.04820	3.4
149.02359	0.9
151.00351	2.3
163.03865	0.9
165.05551	58.9
166.05896	3.2
175.03925	1.0
175.69652	0.7
177.02002	0.8
207.06601	42.4
208.06895	2.7
231.06609	1.8
249.07942	1.3
250.08191	1.4
251.09599	2.0
256.03708	2.3
283.02377	1.1
284.03238	43.0
285.04007	95.5
286.04330	8.3
447.09268	100.0
448.09637	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	697.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65900	0.8
56.05212	0.8
59.01372	6.1
64.74709	0.8
69.53551	5.7
71.01380	8.7
72.99281	1.1
73.02925	0.9
76.23537	0.9
83.01379	1.2
84.01350	1.9
84.23061	0.9
85.01022	21.3
85.02949	7.8
87.00887	2.2
89.02421	2.4
93.03432	1.6
95.04983	1.4
96.96028	4.7
97.02920	1.4
98.19890	2.0
99.00835	1.1
101.02425	1.3
111.00880	1.0
112.04079	0.8
112.98792	2.7
113.02451	9.3
115.02058	3.7
117.03467	11.5
118.03767	1.3
119.03596	1.7
119.05015	36.6
120.05322	1.9
121.02966	2.1
125.02443	5.5
127.02086	2.4
132.05733	1.0
133.06587	3.3
135.04517	1.0
143.03459	1.6
144.41460	1.1
145.01454	2.5
145.02951	48.5
146.03288	3.4
147.04451	1.0
157.03059	1.8
161.06068	10.9
162.06502	1.1
163.03993	34.9
164.04350	3.4
169.03105	1.4
177.05531	3.8
183.04749	1.2
187.04115	2.6
191.05550	1.3
197.64870	1.0
205.05052	10.7
235.06129	1.7
249.07918	2.3
265.07077	4.4
284.03198	1.3
285.03979	2.6
319.10281	3.6
327.08804	3.3
344.10321	1.5
345.09949	32.9
346.10193	1.8
412.04837	0.9
447.09103	2.9
465.13965	24.7
466.14389	4.5
490.14194	1.6
491.13651	100.0
492.13959	13.7
533.14844	2.0
536.32172	1.1
604.74823	1.0
637.15125	1.2
679.17035	4.4
680.17670	1.1
697.17828	51.5
698.18207	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	695.364
Annotation	Trilocularoside A
Peak:m/z	Relative Intensity
52.85162	0.3
55.01869	0.5
56.03326	0.3
57.03425	0.8
59.01093	0.3
59.01374	6.6
61.98798	0.5
66.59233	0.2
68.80908	0.3
69.71692	1.7
71.01378	5.5
72.47717	0.3
72.99285	0.9
73.02940	2.3
83.01386	1.7
85.02940	4.3
86.00074	0.3
87.00855	0.5
89.02424	0.7
95.01405	0.7
96.96000	1.7
98.19866	0.5
99.00881	0.6
101.02431	5.2
111.04461	0.4
113.02431	2.1
119.04996	0.4
125.02373	1.2
149.02370	0.3
151.03963	0.3
157.34384	0.3
161.04570	0.4
219.13797	0.6
231.51372	0.3
245.78300	0.3
251.96172	0.3
271.08490	0.3
314.18900	0.3
369.31345	0.4
397.31033	0.6
399.32623	0.4
405.25378	0.3
427.32141	1.2
428.32120	0.3
443.31491	0.6
471.31046	2.5
472.31509	0.4
489.32144	1.3
512.79584	0.3
533.30249	0.5
539.15527	0.7
541.97931	0.3
589.36871	0.7
607.38525	0.4
633.36499	0.8
651.37030	1.6
652.37817	0.5
677.35590	0.9
695.36371	100.0
696.36682	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01709	1.3
61.98812	2.0
71.01367	0.4
71.62933	0.7
76.88024	0.5
96.96027	1.0
121.02950	2.4
150.45732	0.4
171.10271	1.4
191.03526	0.6
207.37924	0.4
209.04649	1.4
374.99146	0.7
490.55685	0.5
509.55194	0.4
573.05603	0.5
593.13184	0.6
700.46539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50317	0.5
55.01858	0.7
59.01367	2.5
61.00994	0.7
63.83447	0.5
71.01365	3.8
71.62470	0.6
83.01389	0.9
84.01364	1.1
85.01018	14.1
85.02956	4.5
87.00873	1.4
89.02425	1.0
93.03443	0.7
95.01364	1.0
95.04977	1.3
96.96004	6.1
97.02915	1.3
101.02417	0.6
112.98798	1.7
113.02444	6.1
115.02058	2.7
117.03449	7.2
119.05016	24.2
120.05327	1.2
121.02935	1.6
125.02413	2.8
127.02037	2.0
132.05785	0.8
133.06575	2.6
138.23129	0.5
139.02173	0.6
145.01463	1.8
145.02957	38.1
146.03291	2.1
157.03127	2.3
161.06017	5.1
163.03990	20.7
164.04341	1.8
169.03123	1.0
177.05544	2.5
183.04607	1.2
187.04074	2.1
205.05066	7.7
217.94556	0.6
235.05986	1.3
249.08011	5.7
265.07050	1.9
319.10297	2.0
327.08932	1.9
344.10193	0.9
345.09918	22.3
346.10312	1.8
377.55029	0.6
392.07474	0.8
465.07355	0.9
465.13928	15.9
466.14066	2.8
473.12912	0.8
490.13965	2.2
491.13644	100.0
492.13980	13.9
511.64954	0.7
533.14789	0.7
593.16626	0.7
679.16998	7.1
697.17865	10.4
698.18127	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	695.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01720	0.7
61.39695	0.4
61.98845	0.5
69.70818	2.6
78.95896	8.9
98.20605	0.5
116.92850	0.7
147.84062	0.4
165.79544	0.4
173.42340	0.4
211.27313	0.4
239.79839	0.4
355.79605	0.4
374.40353	0.4
380.61526	0.4
484.42715	0.5
663.62299	0.5
695.31104	40.4
696.31433	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	695.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25405	0.3
55.01884	0.3
57.03441	2.2
59.01125	0.3
59.01381	3.6
59.33013	0.3
61.96849	0.3
63.83342	0.3
69.03452	0.5
70.66158	0.8
70.66490	0.4
71.01377	0.7
73.02912	0.5
81.03453	3.0
83.01375	3.4
85.02939	0.7
87.00906	0.3
89.02432	0.5
93.03435	2.0
94.55455	0.3
95.01378	0.5
95.05026	3.3
96.96032	0.7
97.02938	5.8
97.42104	0.3
101.02447	0.8
108.02180	0.9
109.02942	23.3
110.03253	0.8
111.70612	0.4
113.02387	0.5
115.00339	0.3
117.03474	0.4
117.63101	0.4
121.02962	3.4
122.03720	0.7
123.04517	14.9
125.02441	14.9
126.02792	0.5
133.02922	0.5
135.04497	2.2
137.02437	8.7
138.03142	0.5
139.04004	3.3
145.02953	1.4
146.03729	1.3
147.04489	0.8
149.02443	4.2
149.06012	0.5
150.03209	1.6
151.04001	7.8
151.05215	0.4
152.04291	0.5
157.06584	0.4
159.04533	2.3
160.05240	1.2
161.02393	1.5
161.06056	4.7
162.03201	1.1
163.03996	0.9
164.01158	3.6
165.01926	4.2
166.02719	0.4
167.03525	1.6
173.06039	0.9
174.03218	0.5
175.02576	0.6
175.03992	2.1
175.07634	2.0
177.01897	0.4
179.03488	5.7
184.05298	0.4
185.06081	1.0
187.04012	4.1
188.04779	3.9
191.05600	1.4
199.07712	0.6
201.05513	0.7
202.06308	2.5
203.07124	11.9
204.07439	0.5
205.03230	0.6
205.05035	7.8
205.56387	0.4
206.05411	0.5
212.04771	0.7
217.08633	0.9
221.08113	2.9
227.07161	2.2
230.05891	0.6
231.02977	0.7
245.08163	16.1
246.08456	1.3
247.06154	1.3
271.06094	0.9
289.07150	100.0
290.07523	8.5
353.08817	0.5
405.12796	0.6
405.17664	7.6
406.18082	0.9
518.29138	0.4
721.09125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68037	0.4
54.02466	0.3
55.01859	1.0
55.59645	0.3
57.03430	0.5
59.01092	0.5
59.01372	7.5
60.64175	0.4
61.98824	1.9
68.99799	0.9
69.03430	0.5
71.01373	6.3
71.82300	0.4
72.99307	2.2
73.02920	1.5
75.00856	2.5
75.02562	0.5
75.67320	0.4
83.01366	2.6
85.01006	3.1
85.02937	1.3
87.00852	1.8
87.04523	0.4
88.98779	1.5
89.02411	1.9
93.03452	0.7
95.01381	0.5
95.05031	2.5
96.95999	10.3
96.99316	0.5
97.02901	0.8
99.00863	1.8
99.04517	0.8
101.02433	4.6
101.06053	1.0
103.00343	1.6
103.05563	0.4
109.02934	1.2
112.98791	4.3
113.02413	1.3
113.99113	0.5
115.00329	1.3
115.02016	0.6
115.05505	0.8
115.07639	1.4
116.92855	0.9
117.01906	1.1
119.05013	1.2
121.02927	1.4
123.04469	0.5
124.98784	1.0
125.02438	2.4
127.02085	1.2
129.01933	0.7
131.05017	2.3
133.06567	1.5
137.02420	0.8
139.02019	0.8
139.03986	3.6
142.99866	0.5
143.01561	0.6
145.01418	3.7
145.02536	0.5
145.02921	0.5
145.32811	0.4
147.04506	23.6
148.04840	1.7
151.00389	0.5
157.01411	2.2
157.05045	0.6
159.02983	0.6
161.04662	0.4
161.06053	13.7
162.06419	0.8
163.03969	0.9
165.12508	0.4
167.03456	0.4
171.01013	0.8
179.03392	0.7
181.04968	0.4
183.04663	0.9
187.04155	1.0
189.05537	1.3
207.13876	1.6
251.12848	2.4
263.05780	1.2
285.04071	0.6
359.08032	1.0
371.24176	0.5
373.25830	1.7
375.27747	0.9
393.27988	0.4
431.19315	1.5
445.10715	0.4
471.31372	0.5
475.14124	6.3
476.14426	0.8
489.15421	0.9
489.32053	0.9
515.25128	0.8
547.13550	0.6
651.37451	0.7
659.36365	0.5
695.19934	100.0
695.37433	9.8
696.20245	18.1
696.33777	0.8
696.37494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81857	0.5
55.01864	0.5
57.03447	0.4
58.00579	0.7
59.01377	6.9
59.21818	0.4
61.98829	4.3
63.96819	0.4
67.12018	0.4
68.99822	1.1
69.47238	3.4
71.01381	6.6
71.67377	0.4
71.72890	0.5
72.99300	1.5
73.02936	1.3
75.00867	3.7
83.01384	1.9
85.01009	2.3
85.02947	0.8
87.00877	1.2
88.98807	1.4
89.02431	1.4
95.05010	2.0
96.55044	0.5
96.95999	7.1
98.95582	3.1
98.96323	0.5
99.00869	1.7
101.02427	2.2
103.00374	1.4
104.19173	0.5
111.14644	0.4
112.98799	4.6
113.02398	1.2
114.98417	0.7
115.00349	0.8
115.02114	0.5
115.05479	1.1
116.92847	0.7
117.01920	1.0
119.05021	0.8
121.02959	1.3
124.98791	1.1
125.02410	1.3
127.02019	0.6
129.01936	1.1
131.05031	2.3
139.02103	0.8
139.03986	1.5
142.99861	0.6
145.00490	0.6
145.01405	5.5
145.02954	1.3
145.06586	1.3
147.04507	26.3
148.04840	1.8
157.01411	1.7
157.05016	0.6
161.06073	14.5
162.06413	1.3
163.04001	0.6
167.03491	0.4
171.01048	0.6
177.01871	0.9
181.05093	0.6
183.04668	0.8
187.02481	0.7
187.04073	0.7
189.05553	1.6
205.48169	0.5
209.11804	0.6
263.05798	0.9
327.08932	0.6
359.07809	1.2
375.27530	0.7
431.19202	0.6
475.14124	7.2
476.14648	1.5
489.15723	0.9
515.25061	0.5
517.15131	0.6
559.15466	0.6
663.18512	0.5
695.19971	100.0
696.20306	19.6
696.30676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97622	2.5
59.01371	4.0
61.98830	7.5
71.01366	2.5
71.58369	2.7
77.28579	2.0
96.96024	5.3
101.02451	2.4
118.54063	2.0
129.65691	1.8
140.78766	1.9
143.35779	2.0
161.04543	2.0
163.11316	2.0
171.10283	4.3
183.13889	3.9
194.25359	1.8
209.11813	66.7
210.12146	3.9
211.13370	100.0
212.13651	3.1
227.12840	20.4
235.08224	5.4
253.09349	4.2
295.22809	3.1
346.03763	2.3
445.20810	4.2
447.22372	18.2
448.22659	2.5
535.35199	2.1
639.33478	7.5
657.34583	2.8
693.32471	47.6
694.32416	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	695.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68681	0.4
59.01374	2.6
61.63845	0.4
63.02396	0.7
83.01370	0.5
87.00887	0.6
88.99108	0.3
89.02448	0.7
96.96001	2.1
99.00892	0.4
101.02441	0.5
107.01364	0.8
109.02923	0.5
113.02431	0.4
115.00407	0.5
125.02388	0.7
131.07153	1.8
133.02921	2.3
137.02454	0.9
145.08673	0.6
149.02393	1.2
151.00333	3.1
163.04030	0.4
165.01892	0.9
169.01384	1.0
173.08124	0.8
175.02557	0.5
175.04005	1.0
180.04277	0.6
187.03963	0.5
191.05589	0.5
195.06564	1.6
199.03955	1.3
201.01814	0.6
212.04630	0.6
217.04877	0.5
227.03453	1.0
241.05107	0.5
255.02916	1.1
256.03763	1.8
281.04440	0.4
283.02499	0.8
284.03217	50.0
285.03989	81.8
286.04315	7.5
297.03915	0.6
307.14191	2.6
327.05219	2.0
447.09216	2.9
489.10303	100.0
490.10672	13.7
609.14404	0.6
651.15564	11.4
652.15826	2.3
695.20868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04834	0.9
58.64194	0.8
59.01344	0.8
61.98809	1.4
69.38840	4.5
69.39268	2.3
78.95897	38.7
80.02670	2.0
81.03447	1.2
83.05023	7.7
84.02161	1.2
96.96960	3.8
109.06521	1.1
122.91614	1.1
125.06082	1.1
135.08104	1.7
152.99571	59.7
155.62190	0.9
162.58380	0.9
163.11296	5.5
165.12784	3.3
171.00549	5.5
191.10641	1.3
209.11800	100.0
210.12155	5.5
227.03241	4.1
227.12851	9.5
245.04218	1.5
253.21706	19.8
254.21930	1.2
277.21631	1.1
346.45828	1.3
363.12122	7.0
437.15955	5.6
455.16788	88.5
456.17078	7.5
547.69495	1.0
577.00983	0.9
691.38208	80.7
692.38525	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	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
58.91418	0.7
59.01141	0.8
59.01373	9.4
61.98822	15.0
63.10921	0.8
65.57601	0.6
69.03436	1.0
71.01376	10.7
73.02940	1.7
74.52382	0.7
79.54707	0.7
79.95718	1.7
81.03429	1.7
83.01401	1.0
83.05018	5.1
85.02930	2.7
87.00854	1.4
89.02435	6.4
95.04992	2.1
96.96002	36.6
97.02943	0.9
97.06589	4.5
98.95555	1.4
100.90491	0.7
101.02426	6.5
108.02145	2.3
109.02901	0.8
109.06546	0.9
113.02442	4.6
119.03490	1.9
121.02974	1.9
123.04510	3.9
124.04887	0.9
125.02421	1.9
133.05040	1.1
138.01962	24.8
138.03059	1.4
143.03496	0.7
145.02972	1.8
149.09608	0.9
150.03200	1.3
151.11273	14.9
153.05548	4.7
155.10625	0.9
161.04517	3.2
163.11255	3.3
165.12798	1.9
166.05746	0.8
169.12320	65.6
170.12624	3.0
171.10242	2.9
179.05576	1.4
185.11774	1.0
195.10226	2.3
197.11798	1.5
199.18770	0.8
202.26830	0.8
207.10190	0.9
209.11807	58.8
210.12112	4.6
211.13283	2.4
213.11295	8.6
214.11584	0.9
225.11349	1.4
227.12918	5.9
235.08173	0.9
253.09279	4.8
256.03394	1.4
267.00595	1.0
283.02341	1.4
284.02814	2.0
285.03143	1.8
286.04187	1.2
293.21191	4.9
349.18512	1.0
357.26328	2.3
359.27731	2.6
371.24380	1.0
371.56009	0.8
375.27472	3.4
376.27798	2.3
377.27786	1.4
397.13464	2.9
415.14478	1.8
431.19000	1.3
449.20276	4.7
567.73657	0.8
637.32208	2.4
641.31995	1.8
655.36517	0.9
656.06500	1.1
659.32776	100.0
660.33081	17.4
691.35046	9.1
692.34332	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36094	2.4
59.01380	5.7
61.98818	7.9
62.21286	2.2
70.14990	9.3
78.95876	2.8
81.24581	2.0
96.95986	5.1
98.19918	2.3
101.02469	2.6
159.20860	2.4
165.26056	2.4
171.10368	3.0
209.11794	100.0
210.12195	7.8
227.12785	7.4
235.08206	6.2
247.54156	2.6
253.09245	7.1
262.93301	2.3
445.20648	8.9
593.26367	2.6
609.58258	2.4
691.30469	18.6
692.31641	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	691.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03453	0.4
59.01371	3.2
61.98821	6.5
66.15285	0.3
69.03469	0.3
69.41064	1.1
69.41490	0.9
71.01382	2.4
72.99307	0.3
73.02935	0.7
80.02659	0.7
81.03435	1.4
83.01385	0.4
83.05021	4.2
84.02180	0.3
85.02920	0.7
87.00903	0.6
89.02443	1.8
93.03433	0.4
95.05016	1.1
96.96001	7.5
99.00887	0.3
101.02428	2.8
101.43243	0.3
109.02911	0.4
109.06531	0.3
111.04588	0.3
113.02430	1.5
115.66089	0.3
116.92830	0.3
119.03520	0.6
121.02945	3.5
123.04500	1.8
125.02441	0.6
125.06065	0.6
125.09718	1.0
127.11279	1.2
130.15007	0.3
134.83347	0.3
135.08163	0.4
137.02406	0.5
143.03517	0.5
155.10780	0.5
157.05075	1.3
161.04572	1.4
163.11296	2.8
164.64964	0.2
165.09135	0.6
165.12810	2.3
171.10262	1.3
179.05574	0.5
181.12289	0.5
183.10249	0.3
189.13052	0.3
191.10760	0.7
199.09767	0.6
201.11292	20.1
202.11630	1.0
209.11795	100.0
210.12131	7.0
225.11293	0.6
226.11629	0.3
227.12862	14.4
228.13129	1.1
235.08253	3.0
239.12820	0.3
253.06586	0.5
253.09242	9.0
254.09717	0.4
288.45462	0.3
311.31598	0.3
313.11301	0.6
357.26425	0.8
358.26566	0.3
365.17825	0.3
371.24536	0.5
375.21851	0.5
393.22784	0.5
402.97635	0.2
437.20035	1.2
445.20770	2.5
463.21625	0.4
486.23590	0.3
502.08972	0.3
611.31000	0.3
637.32910	0.4
659.23560	0.4
673.24744	0.4
691.33447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93512	2.2
59.01357	4.0
61.98808	7.6
62.33075	1.9
68.28420	2.1
68.75797	2.2
71.01366	3.2
78.95885	2.9
83.05023	2.5
96.96023	3.9
108.50837	2.3
109.58428	1.9
171.92648	2.2
209.11794	100.0
210.12132	9.4
227.12810	9.1
253.09238	5.4
404.70605	2.3
445.20770	6.0
606.62347	2.6
691.30609	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	691.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.1
61.98827	11.7
68.99561	3.4
71.01369	4.3
73.02936	2.1
73.13172	1.0
79.95710	1.5
80.05042	9.6
82.02969	2.0
82.95405	1.2
85.73698	1.1
93.03469	1.6
94.02979	16.3
96.96007	29.0
98.95567	1.2
99.00872	1.2
101.02428	2.4
104.05021	3.1
106.06606	3.6
108.04553	2.6
108.08189	4.0
112.98569	2.1
113.02419	1.3
121.05331	3.5
122.06079	2.4
124.03998	1.3
125.02448	3.0
126.90344	2.9
132.04515	1.9
134.06081	2.9
135.04526	2.1
136.04025	2.4
136.07672	75.5
137.08022	2.8
138.05600	5.8
142.20982	1.1
145.02887	1.6
147.05716	1.2
148.04033	1.5
150.05576	4.6
151.00322	1.2
153.04251	2.0
160.03954	1.9
161.02383	1.1
161.04576	2.2
171.10217	1.7
174.05672	1.7
175.05148	1.3
177.01883	1.7
188.07196	2.5
190.05144	2.8
201.10323	4.7
209.11833	2.1
211.08549	1.6
213.10297	3.3
215.11913	1.6
225.10326	3.0
227.11942	3.4
229.09766	4.2
229.13400	9.3
237.10233	2.2
239.11821	5.1
247.10814	1.5
249.10455	1.6
250.07167	1.3
251.08226	2.5
251.12024	1.8
252.08687	1.3
253.09741	2.2
255.11359	3.9
257.12946	2.3
263.08206	1.4
265.06821	1.0
265.09802	5.0
267.11407	2.9
269.13226	1.3
273.12427	3.0
277.09756	2.0
278.06863	3.5
278.10373	2.6
279.07803	4.3
279.11295	4.1
280.11957	1.2
281.09436	1.4
281.12802	2.1
289.12070	1.2
291.07843	1.2
291.11264	2.4
293.09256	14.7
294.09921	4.6
295.10815	4.8
297.12350	4.3
301.11990	7.9
306.10019	1.4
307.10864	6.1
308.11212	1.4
309.12341	6.0
310.12946	1.4
319.12955	19.1
320.13165	1.8
327.13425	3.1
337.08316	6.7
351.09970	1.4
362.92722	1.2
371.24307	2.2
373.25836	3.3
374.14935	4.5
376.20322	1.2
392.15985	2.5
400.16843	1.7
401.17328	1.3
402.17834	1.3
414.14038	1.3
415.19171	1.3
416.15988	3.4
428.16144	3.3
434.17087	2.0
442.17715	2.0
443.18375	6.8
444.19080	4.0
446.16727	1.5
447.17523	1.4
458.20865	4.1
460.18497	3.2
461.19492	1.5
470.16971	3.4
476.21744	3.0
487.17511	3.9
488.18265	13.6
502.19815	14.0
523.23315	1.5
534.22412	16.1
535.22638	2.6
541.24652	3.1
542.78522	1.4
565.24890	5.3
567.22272	2.1
583.17163	1.9
583.25635	17.7
584.25586	3.1
599.25031	3.7
609.23633	1.8
615.28125	8.9
616.28418	1.5
627.24347	12.3
628.24835	2.6
631.27765	2.8
641.26129	10.4
642.27057	1.9
655.33545	1.3
659.27136	100.0
660.27441	23.6
673.28766	1.4
691.29755	20.0
692.29382	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	691.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.8
59.01374	1.7
60.99294	0.5
61.97367	0.3
61.98817	0.6
67.01885	1.7
71.01373	2.9
71.16725	0.7
73.02936	0.6
81.03455	0.9
83.01364	0.4
83.05027	0.9
85.02943	12.1
86.03308	0.3
87.00867	4.7
93.03452	14.9
94.03767	0.4
95.01392	0.4
96.96011	2.3
97.02956	0.6
99.04491	0.6
101.02436	0.4
108.02177	0.7
109.02949	4.3
111.04514	3.1
115.00351	2.4
117.01823	0.3
119.05019	1.3
120.99641	0.8
121.02943	0.8
123.04517	1.4
125.02434	1.3
127.04008	3.0
129.01961	0.5
130.18309	0.4
135.04498	1.0
137.02414	1.3
139.37862	0.3
151.03955	0.5
155.03505	1.1
159.04495	0.3
161.06081	0.6
163.03938	0.9
165.01880	0.5
171.02998	0.7
173.04535	7.9
179.03482	0.9
183.70239	0.4
187.04025	0.4
191.05595	100.0
192.05943	3.5
195.06598	0.6
203.07100	1.2
205.05028	0.5
225.05614	0.7
226.06337	1.3
227.07108	8.3
228.07397	0.6
245.08102	0.9
255.10283	3.7
266.05869	0.7
271.04385	0.6
279.06644	0.6
281.08093	1.8
289.07300	7.6
293.12186	0.8
307.06085	1.8
325.07101	0.6
343.07938	0.5
353.08719	0.5
403.15823	0.5
463.10767	1.3
499.12112	2.1
500.12808	0.4
691.18713	53.0
692.19012	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	691.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
70.50850	1.0
71.01378	2.1
71.12272	0.3
73.02943	0.5
74.99094	0.4
81.03449	0.7
85.02938	2.2
87.00868	0.4
93.03461	0.4
95.01375	1.1
96.96015	2.3
98.19913	0.3
101.02441	0.9
108.02162	54.7
109.02968	16.1
110.03254	0.3
112.99807	0.3
113.02434	1.0
121.02925	1.0
123.00896	0.7
123.04488	0.8
133.02971	0.5
135.04541	0.5
145.02893	0.4
151.04012	1.3
152.01135	48.0
153.01927	18.2
154.02284	0.8
156.32736	0.3
158.42845	0.3
163.03976	1.5
165.01884	1.4
181.04953	0.3
191.05557	1.7
196.94997	0.3
225.03996	0.4
249.74460	0.4
315.07169	100.0
316.07516	8.0
691.19043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98823	17.9
71.01362	0.9
71.62818	1.3
78.95895	1.5
96.95997	4.5
96.96945	0.9
152.99580	1.0
192.39786	0.7
209.11757	1.6
245.64642	0.7
282.43896	0.8
299.04208	0.8
324.36340	0.8
394.29651	0.7
452.14838	1.1
481.14838	5.4
482.15265	0.9
492.14801	0.8
493.14926	1.1
494.15277	1.2
495.16675	8.8
496.16901	2.6
535.16156	1.4
536.16962	2.1
540.16699	2.2
551.19373	25.3
552.19635	8.3
554.19427	3.4
555.19073	1.0
572.15521	2.1
586.17004	2.3
595.17645	1.6
627.20892	100.0
628.21155	27.8
630.21234	8.7
631.21204	0.9
690.23450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03452	0.8
58.00589	0.6
59.01372	10.8
61.98824	55.3
68.99825	1.0
69.03477	0.7
69.25957	7.1
71.01375	51.4
71.05010	1.5
72.99298	1.6
73.02945	4.2
73.39239	0.7
73.87888	0.7
79.95737	1.2
80.02689	2.0
81.03468	3.0
83.01374	1.1
83.05013	6.7
84.61145	0.6
85.02930	4.7
87.00878	2.1
88.98792	1.1
89.02448	7.9
93.03458	0.8
95.01373	1.4
95.05035	2.0
96.96002	37.2
97.02947	2.8
97.06586	0.9
99.00867	6.0
99.04494	0.9
101.02440	7.6
107.05027	1.1
109.02958	2.0
109.06583	7.2
111.04456	0.8
112.98553	1.2
113.02441	4.0
119.03488	2.4
121.02997	0.7
123.04536	1.1
123.08171	1.5
125.02448	1.6
125.06071	0.8
125.09692	4.3
127.11272	2.5
131.03487	0.9
135.08127	1.6
137.02409	1.3
139.07610	0.9
141.78780	0.7
142.02721	1.1
143.03500	1.2
145.02846	1.1
145.05029	1.0
155.10785	1.1
161.04587	3.6
161.09795	0.9
163.11278	10.4
164.11581	0.8
165.12854	3.5
171.10252	25.4
172.10609	0.8
179.05568	2.0
179.10796	0.9
181.12286	7.5
183.13879	1.1
185.11832	3.1
189.09175	1.0
191.10767	1.3
197.11807	3.0
199.09724	0.9
199.13408	3.5
201.11298	10.4
207.10242	27.7
208.10580	1.1
209.11800	100.0
210.12170	6.6
215.12836	1.5
225.11282	35.2
226.11696	1.5
227.12866	11.0
233.11618	0.7
235.08138	3.3
243.12282	4.9
253.09224	9.2
263.12756	0.9
285.03876	1.2
291.19528	5.8
299.15244	0.8
331.17593	2.0
356.25305	0.9
357.26349	3.8
359.27988	1.5
373.25809	2.0
375.27505	7.2
397.13226	1.2
415.14606	1.6
417.22678	1.4
461.20273	6.4
479.21149	1.4
613.22394	0.9
627.34094	1.4
635.30750	1.2
653.31268	3.8
671.33014	4.2
672.33295	1.0
689.33716	27.3
690.34131	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	689.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.5
55.01848	0.5
57.03445	0.7
57.52714	0.5
58.00576	0.7
59.01369	8.0
61.98820	7.4
62.65938	0.5
70.40765	0.4
70.48448	1.7
71.01374	53.6
72.01708	0.9
72.99284	0.7
73.02929	3.6
76.32052	0.4
79.95749	1.0
80.02671	1.4
81.03450	2.0
83.01372	0.8
83.05016	7.0
84.02162	1.1
85.02943	3.1
86.36951	0.6
87.00867	2.0
88.98785	1.0
89.02422	3.3
90.92368	0.5
95.01381	0.9
95.04996	1.2
96.95996	12.9
97.02947	2.4
97.06586	0.8
99.00859	1.8
100.22128	0.5
101.02422	4.7
109.06569	7.2
111.00877	0.6
113.02425	3.1
119.03501	0.9
123.04521	0.6
123.08133	1.0
125.02396	1.2
125.06100	0.8
125.09702	2.2
127.11269	1.8
135.08148	2.0
137.02527	0.6
139.07600	1.0
143.03511	0.8
145.05130	0.8
149.09682	0.7
155.10733	1.5
161.04538	2.2
161.09718	0.9
163.11261	9.3
165.09164	0.7
165.12798	2.4
171.10245	33.3
172.10614	1.4
174.65408	0.5
179.05582	0.8
179.10612	0.5
181.12326	3.8
185.11815	2.3
189.09265	0.8
191.10774	0.7
197.11842	1.4
199.09750	0.8
199.13368	1.5
201.11292	15.7
202.11649	0.9
207.10237	19.8
208.10590	1.2
209.11800	100.0
210.12094	5.8
211.13353	0.8
215.12843	1.5
225.11293	26.9
226.11673	2.1
227.12862	11.9
228.13271	0.8
233.11766	0.7
235.08154	2.8
235.13416	0.5
243.12349	2.1
251.12791	1.3
253.09262	10.6
295.10498	0.8
299.15085	0.6
331.17606	0.7
346.05621	0.6
375.27316	1.6
399.21561	1.3
407.19217	0.8
417.22818	1.8
442.69604	0.6
442.75607	0.5
443.19247	1.2
445.20633	0.6
461.20175	5.1
479.21457	0.6
635.30536	1.5
653.31464	2.9
671.32428	3.1
672.33179	1.3
689.33673	6.3
690.34058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.0
61.98827	13.3
70.17024	3.6
71.01379	58.6
73.02943	3.3
78.95900	2.6
80.02676	2.2
81.03458	1.9
83.05044	6.1
83.45069	0.9
84.02172	2.4
84.25325	0.9
85.02934	1.8
87.00845	2.1
89.02425	1.3
90.64397	0.9
93.03473	1.0
95.05015	2.5
96.96024	2.4
97.02937	2.8
98.20545	1.0
99.00863	1.8
101.02438	2.9
109.06564	9.4
113.02443	2.1
116.01791	1.0
119.03455	1.4
125.06040	1.5
125.09707	2.2
127.11241	1.0
135.08116	1.2
149.87100	1.0
152.99638	1.9
155.10735	1.1
161.04512	2.7
163.11259	11.3
165.12906	1.9
171.10252	28.3
172.10583	1.4
181.12325	3.1
185.11780	1.4
191.10727	1.4
197.11879	1.4
199.13326	2.0
201.11285	11.9
207.10237	22.9
208.10637	1.5
209.11815	100.0
210.12115	5.9
211.13452	1.1
213.80072	0.9
215.12753	1.6
225.11293	26.4
226.11624	1.1
227.12848	10.6
235.08160	3.9
243.12305	2.8
253.09291	10.0
277.21570	1.2
399.21603	2.1
417.22415	1.5
443.18872	1.3
461.20139	5.8
474.95636	0.9
479.20856	1.2
635.30884	1.7
653.31866	1.6
671.32556	2.7
672.33301	1.2
689.33612	8.7
690.32928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.2
58.00562	1.2
59.01373	11.7
61.75765	1.0
61.98522	1.4
61.98829	21.6
69.47528	2.3
69.47930	6.8
71.01378	14.0
71.05004	2.1
72.99291	1.4
73.02942	2.9
75.00851	1.8
80.02657	2.2
81.03440	3.6
82.95399	1.3
83.01381	2.6
83.05016	10.0
84.02151	1.8
85.02927	3.6
86.30911	1.3
87.00868	1.6
88.98789	4.6
89.02425	6.1
93.03440	1.6
93.53026	1.1
95.01373	1.1
95.05009	1.8
96.95995	15.9
97.02915	4.3
97.06563	2.7
97.94560	1.0
99.00869	11.7
101.02445	6.1
109.02944	1.8
109.06538	3.1
110.03717	1.1
110.56722	1.2
111.04530	1.6
113.02431	5.0
116.92827	1.9
117.03457	2.5
119.03477	2.1
119.04990	1.9
121.02959	8.9
122.06173	1.0
123.04515	3.9
123.08141	2.0
125.02425	5.2
125.09676	6.6
133.02966	1.3
135.08133	1.7
137.02371	3.8
145.02943	7.2
149.02342	1.3
150.03128	1.1
155.03564	1.4
161.04532	2.5
161.09610	1.1
163.03973	2.0
163.11255	11.2
165.01917	1.2
165.05537	1.2
165.12798	4.4
167.03548	2.1
171.10245	21.8
177.01833	1.2
181.12312	11.5
185.11760	1.4
185.58153	1.1
191.03621	1.0
199.09642	2.6
199.13373	14.6
201.11226	3.9
207.10252	29.0
209.11801	90.9
210.12094	4.5
222.51031	1.1
225.11301	50.4
226.11569	3.9
227.12866	13.8
228.13089	1.6
235.08151	2.8
243.12370	11.4
253.09262	7.0
269.04449	1.4
284.03159	1.7
285.04068	5.6
285.07050	1.2
289.07281	1.4
307.08102	2.1
327.21350	1.2
361.97202	1.1
371.24280	1.8
373.25955	1.5
375.27405	1.8
381.15347	1.8
419.39850	1.4
445.20886	2.0
461.20468	6.6
462.20633	1.7
479.21149	2.7
549.64209	1.4
585.59143	1.2
626.29602	1.6
647.06805	1.2
653.31372	4.2
657.21594	3.8
671.32922	6.9
689.33673	100.0
690.33972	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	689.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03435	2.1
59.01374	8.6
61.98820	7.7
69.59055	1.2
71.01369	9.5
71.05015	3.5
73.02936	2.3
78.46868	1.1
80.02667	2.2
81.03438	1.9
83.01383	1.6
83.05027	8.9
85.02946	3.6
87.00858	1.3
89.02421	5.4
93.03439	1.6
95.05014	2.5
96.96008	7.7
97.02938	4.6
97.06567	2.5
99.00864	15.3
101.02432	7.2
108.31716	1.0
109.02959	2.2
109.06571	3.7
111.04487	1.9
113.02438	4.8
114.91527	1.2
118.92171	1.1
119.03477	1.1
119.05010	1.5
120.99599	1.2
121.02953	4.0
123.04475	2.5
123.08132	1.6
125.02419	2.9
125.09718	7.1
127.11199	1.2
135.08145	1.6
137.02417	1.6
145.02930	2.1
151.00252	1.9
163.11293	15.0
165.12799	2.6
171.10251	50.7
172.10620	2.3
181.12314	18.3
182.12651	1.2
191.10786	1.4
197.11789	1.9
199.09761	1.4
199.13380	8.9
201.11310	4.8
207.10240	28.9
209.11804	100.0
210.12086	6.1
225.11288	48.8
225.13533	2.2
226.11639	3.1
227.10880	1.7
227.12859	12.0
235.08258	4.6
243.12332	19.8
244.12617	1.2
253.09273	8.1
269.04770	1.4
327.21658	1.6
357.26447	2.0
407.18988	1.9
443.18805	1.9
445.20892	2.0
461.20212	6.7
479.21158	7.7
498.92264	1.0
635.30884	1.3
645.30499	1.4
653.31860	2.2
657.19910	1.5
671.32410	6.1
689.33771	89.7
690.34247	16.2
715.30255	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49582	0.4
57.03440	3.3
58.00574	1.3
58.75662	0.4
59.01373	21.1
61.98822	10.0
69.03453	0.9
71.01373	21.1
71.62579	0.5
71.62949	0.7
72.99290	1.4
73.02927	3.3
75.00852	0.4
76.42494	0.4
81.03447	0.4
83.01391	1.3
83.05007	0.7
85.02943	4.9
87.00874	2.0
87.04486	0.9
88.98789	0.4
89.02434	29.2
93.03465	0.5
95.01381	1.4
95.35480	0.5
96.96001	8.1
97.02939	0.6
97.06567	0.9
97.94464	0.4
99.00851	1.0
101.02432	16.4
109.02940	0.6
111.08163	0.7
113.02438	11.1
114.02750	0.5
117.03429	0.9
119.03487	16.0
119.04912	0.7
121.10222	0.5
123.04507	0.5
123.08103	1.0
125.02435	1.3
125.09698	2.8
127.11272	1.9
131.03516	2.2
137.09697	1.5
139.11279	1.1
141.01672	1.4
141.09177	0.5
143.03488	4.4
145.02957	3.0
145.03925	0.5
149.04520	1.4
151.11316	0.6
153.09187	0.8
155.10736	2.9
159.02953	0.6
161.04530	7.9
163.04012	0.6
167.03381	0.7
169.12314	1.3
171.10243	8.4
179.05589	13.4
179.07178	0.8
183.10268	1.0
185.11757	2.3
197.11769	0.7
199.13324	1.4
201.11325	1.2
207.10179	0.5
209.11777	8.6
210.12175	1.2
215.12865	4.1
217.14351	1.0
223.09750	0.8
223.13329	1.7
227.12840	1.1
229.14404	6.1
235.08292	0.5
253.09238	0.6
285.20682	1.4
289.18237	0.7
313.23773	1.2
325.23752	1.5
327.25327	1.1
331.17596	10.0
332.17889	1.0
337.23822	3.7
339.25250	0.9
341.23141	0.5
343.24847	3.7
355.24826	20.1
356.25031	1.9
357.26434	4.1
363.21503	0.5
371.24338	1.8
373.25876	100.0
374.26266	10.2
375.27487	2.3
465.36035	0.6
651.38043	2.4
687.32336	1.8
688.32471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07209	0.2
59.01369	0.3
61.98822	100.0
65.64546	0.3
69.28349	2.5
71.01386	1.1
78.95901	0.4
94.94427	0.3
96.96059	0.4
97.94118	0.2
171.10263	0.9
207.10321	0.6
209.11816	2.4
225.11388	0.8
227.12859	0.4
389.21115	0.3
408.18063	0.3
543.69684	0.3
632.18829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90902	2.2
58.68153	2.1
59.01374	7.3
61.10610	2.7
61.98825	42.6
71.01378	54.5
71.01762	4.7
71.62589	3.6
78.95891	3.8
83.05039	5.3
93.57083	2.3
97.02878	3.4
101.02424	3.4
109.06593	8.3
113.02430	3.4
161.09735	2.3
163.11285	9.5
165.12805	3.1
171.10251	27.1
172.10625	2.4
181.12297	3.2
201.11272	16.4
207.10262	21.5
208.10460	2.9
209.11813	100.0
210.12109	6.2
211.13397	4.2
213.66209	2.5
223.13374	2.5
225.11278	24.7
227.12889	11.1
235.08195	4.0
247.32019	2.2
253.09265	8.1
314.75656	2.8
339.36758	2.6
461.20215	4.8
653.31677	2.7
689.33270	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	687.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03434	0.4
59.01376	2.9
61.98830	2.6
63.89055	0.4
65.61538	0.4
69.03432	0.4
70.76688	1.2
71.01385	1.9
71.05000	0.4
73.02949	0.8
83.01376	0.4
83.05025	0.4
85.02931	1.3
87.00883	1.1
89.02436	0.8
90.90985	0.4
93.03441	0.8
96.96006	2.9
97.02962	0.5
97.06568	0.4
98.56425	0.5
99.04494	0.6
101.02434	0.9
108.02145	1.4
108.71053	0.4
109.02936	1.5
109.06581	0.6
111.04564	0.8
111.08179	0.6
113.02438	1.0
120.99622	0.5
121.02927	1.1
122.03751	0.6
123.04510	2.3
123.08189	0.7
125.02422	1.8
127.99232	0.4
135.08211	1.1
136.05316	0.9
136.99171	0.6
137.02426	1.7
139.03995	4.5
141.09212	0.6
145.02921	0.6
149.02411	1.9
149.06042	4.1
149.88829	0.5
150.03218	3.2
150.06842	39.1
151.00386	0.7
151.03978	0.6
151.07199	2.2
152.01146	1.4
153.01923	0.9
153.05591	1.2
153.09142	0.5
155.10725	0.7
161.04530	1.0
162.06813	1.3
163.03952	0.6
163.07626	8.0
164.08409	7.2
165.01898	1.3
165.05565	3.9
167.03448	1.6
169.05025	4.6
171.10286	0.9
176.08383	0.8
177.09250	0.7
178.09976	2.0
179.10754	19.1
180.11090	1.2
181.05124	0.5
195.06529	1.9
209.11865	0.5
221.06676	0.6
260.88806	0.5
279.85431	0.4
285.03873	0.6
289.07248	0.5
301.20163	0.5
343.24792	0.9
345.22708	3.2
353.23248	1.0
371.24240	3.4
373.25665	2.1
389.25577	0.8
446.30878	0.5
461.32968	1.1
464.31409	4.6
478.32986	0.9
479.33786	6.9
480.34152	1.1
506.32468	1.7
507.33282	3.6
524.33661	2.5
525.34235	25.1
526.34705	4.1
550.71112	0.5
565.20935	1.4
639.24799	0.7
687.39648	100.0
688.39972	19.5
688.51971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3954
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03440	1.1
59.01376	2.5
60.98939	0.5
61.98832	2.7
71.01374	1.4
71.62786	0.5
73.02946	0.7
76.92163	0.4
80.35625	0.5
85.02959	1.3
87.00891	0.9
89.02448	1.2
93.03458	0.8
93.08794	0.4
96.95994	1.9
97.06557	0.6
101.02432	1.3
108.02161	1.4
109.02971	1.1
109.06647	0.5
111.04529	0.6
113.02431	1.2
113.06081	0.6
118.95451	0.4
121.02932	1.5
122.03730	1.4
123.04518	1.6
123.08128	0.8
124.01578	0.5
125.02466	1.5
125.58537	0.5
135.08214	0.9
136.05266	0.5
137.02405	2.2
137.06088	0.6
139.04001	4.0
145.02939	0.8
149.02440	2.7
149.06038	3.6
150.03247	6.1
150.06851	38.1
151.00389	1.2
151.03932	0.6
151.07262	2.0
152.01181	1.7
153.01865	1.0
153.05534	0.7
153.09224	0.7
154.75490	0.4
160.01790	0.5
161.04541	0.5
161.09714	1.1
163.07643	8.0
163.11270	0.6
164.01097	0.6
164.08417	6.3
165.01926	1.2
165.05554	6.5
165.08908	0.4
166.02676	0.6
167.03491	2.0
168.00552	0.5
169.05074	3.9
171.10231	0.6
177.01865	0.5
177.09105	1.0
178.10005	1.9
179.10762	18.0
180.04169	0.6
180.11078	1.3
181.05064	1.3
193.01318	0.8
195.06638	3.4
209.11806	0.6
221.06667	1.1
329.23145	0.5
343.24966	1.3
345.22763	5.0
371.24237	4.2
373.25842	2.5
375.27295	0.8
389.25400	0.7
464.31433	4.8
478.33167	0.7
479.33640	7.7
480.34418	1.1
491.18991	0.9
506.32339	0.9
507.32950	2.4
508.33408	0.7
524.33630	2.9
525.34277	26.9
526.34540	4.6
565.20618	2.6
639.24725	1.7
687.39648	100.0
688.40009	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	687.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01380	6.5
61.98816	4.1
69.03427	2.1
69.36658	9.0
70.60594	0.9
71.01371	7.2
71.04994	2.6
73.02915	1.6
75.00800	0.8
79.51967	0.8
80.02663	0.9
80.24750	0.9
81.03428	2.6
83.01391	1.9
83.05020	4.9
84.02169	1.6
85.02931	2.9
87.00850	1.4
89.02428	3.5
93.03397	1.3
95.01357	1.2
96.96004	1.2
97.02924	1.2
97.06622	1.3
98.19862	1.7
101.02439	4.9
104.75598	1.0
109.02902	1.3
113.02409	2.5
119.03448	1.1
121.02937	1.7
123.04491	1.7
123.08181	2.1
125.02401	2.1
125.09699	1.7
133.09286	1.0
135.08099	1.2
151.11203	1.8
153.12831	1.4
159.02939	1.9
159.06561	2.3
161.04477	1.8
161.09694	3.2
163.11205	2.9
165.12764	1.9
167.03462	5.0
171.10272	2.0
179.10699	6.0
197.11803	68.9
198.12111	3.2
209.09837	2.2
209.11792	41.5
210.12132	2.2
211.13260	1.2
217.21198	1.0
223.09689	1.4
225.11354	2.3
227.12843	4.3
241.10727	2.9
253.09184	4.5
275.71405	1.0
312.30048	0.9
349.78345	1.1
373.25583	1.1
459.18488	1.0
477.19675	1.9
565.58856	1.0
655.19733	2.1
669.30975	1.6
687.32135	100.0
688.32422	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82229	0.9
59.01366	1.5
61.98819	1.0
70.93763	0.9
70.94089	1.1
71.01382	1.2
89.02412	1.1
96.49053	0.5
96.95992	1.1
97.06592	1.1
108.02177	1.6
123.04537	1.3
123.08135	1.1
125.02484	1.0
141.09213	0.7
149.06078	1.0
150.06853	29.4
151.07228	1.5
152.01135	3.6
157.08702	0.6
162.06827	0.7
163.07623	6.3
164.08414	6.7
167.03488	6.9
174.86411	0.8
177.09106	0.7
178.10020	1.4
179.10762	16.1
180.10953	1.1
187.09741	0.7
229.10712	0.8
277.12939	0.8
293.08731	1.3
299.18594	0.8
320.19760	1.4
328.24292	0.6
335.22305	0.8
341.23071	1.6
343.21222	3.0
364.22501	2.2
371.24460	1.8
373.25778	1.8
380.75873	0.7
389.25394	0.9
441.29776	1.0
462.29880	2.1
477.32147	4.7
505.31772	2.3
522.32043	1.8
523.32690	23.0
524.33063	2.9
649.37543	1.0
685.37982	100.0
686.38367	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19720	0.4
57.03442	0.8
59.01358	1.2
61.98797	0.9
71.01361	0.8
71.25222	0.4
73.02882	0.4
85.02954	0.8
87.00858	1.0
88.98810	2.1
89.02438	0.5
96.96006	1.8
97.06573	0.4
98.20617	1.1
99.04465	0.5
106.79287	0.4
111.08148	0.6
123.08125	1.8
125.02470	0.5
135.08147	0.5
137.09657	0.5
139.07564	0.5
149.06041	1.4
150.06847	30.7
151.07243	1.4
161.09639	0.4
162.06850	0.6
163.07617	5.5
164.08400	6.3
165.08806	0.4
171.10306	0.4
176.08434	0.8
178.09938	1.6
179.10745	16.1
180.11101	1.0
187.09644	0.4
221.55966	0.4
229.10672	0.6
238.53333	0.4
307.08197	0.4
320.19910	1.3
321.20645	0.7
335.22238	0.8
341.23166	0.4
343.21222	4.2
344.21658	0.4
364.22543	1.6
459.30997	1.1
462.29507	1.9
476.31433	0.7
477.32101	6.1
478.32468	1.0
504.30826	1.1
505.31714	2.1
522.32245	1.9
523.32648	22.8
524.32941	3.3
541.86462	0.5
685.37927	100.0
686.38269	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71835	0.3
56.97995	1.0
59.01322	3.7
61.98769	3.2
69.09498	0.3
69.29911	0.5
69.30314	3.0
71.01369	1.7
73.02871	0.5
73.12889	0.3
73.67508	0.3
74.99046	1.0
79.01989	0.3
83.01288	0.4
85.02901	0.8
86.99084	3.0
87.00816	1.0
89.02416	1.7
96.95993	3.8
98.95479	0.4
101.02418	2.4
102.98578	0.6
107.63934	0.3
108.02118	1.1
109.01136	0.4
109.02898	1.1
111.08102	0.5
113.02403	0.8
119.03490	2.2
119.04942	0.6
120.99639	11.2
121.02888	0.4
123.04445	1.4
123.08068	0.5
125.02359	1.1
131.96269	0.3
135.04491	3.7
135.99841	0.4
137.00641	0.9
137.02399	0.6
138.03128	1.1
142.23343	0.4
145.02937	0.8
146.63707	0.4
147.00803	0.5
149.02357	1.0
149.06010	0.5
150.06837	4.6
151.03984	0.4
152.01102	1.1
153.01843	0.5
153.05545	2.5
160.01610	2.0
161.02344	0.5
161.04460	0.4
162.03215	2.5
163.03984	21.9
163.07643	0.9
163.99333	0.6
164.04315	0.7
164.08409	1.0
165.00073	1.4
165.01909	0.5
167.03487	1.8
169.05000	0.5
171.10269	0.4
175.03955	4.3
177.00128	1.5
177.01877	4.3
177.05542	2.9
178.00932	0.5
178.06329	12.9
179.03421	0.4
179.06752	0.4
179.10770	2.5
180.99625	0.7
191.03494	0.5
191.98837	5.0
192.02644	0.5
192.04239	14.0
192.99612	28.8
193.04826	0.7
193.08659	7.1
193.99983	1.4
195.06583	1.6
196.01984	1.9
200.14513	0.3
207.01173	8.1
207.06587	18.9
208.01952	40.4
208.06975	0.9
209.02235	2.1
211.04315	4.1
221.02734	0.6
221.06319	0.4
222.03542	2.0
223.04305	100.0
224.04637	5.9
225.02156	0.5
225.07643	2.9
226.03069	0.6
236.04962	0.4
237.05783	1.1
240.04610	0.6
241.05365	22.6
242.05675	1.5
245.84320	0.4
250.03098	0.4
254.02597	0.4
265.05313	2.3
285.03955	0.6
295.06464	0.5
299.05905	1.3
311.05884	1.0
313.20285	0.6
329.06952	26.6
330.07111	1.6
343.21249	0.5
353.23242	0.9
371.24338	4.7
373.21255	0.3
373.26147	1.4
385.09790	0.9
389.25711	0.4
403.05746	0.5
403.10611	28.1
404.10944	2.8
491.12228	35.1
492.12518	3.8
493.19214	0.6
505.32004	0.5
522.32721	0.5
523.32520	1.7
685.20001	0.5
685.38647	16.7
686.38776	1.5
703.24854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36726	0.9
54.68716	1.0
59.01376	14.9
60.46512	0.8
62.84970	0.8
63.67607	0.8
71.01374	16.7
71.62578	1.4
72.99307	2.3
73.02933	5.2
75.00863	1.7
82.43597	1.0
83.01385	1.2
85.02952	1.9
87.00870	9.5
88.85487	0.9
89.02428	16.9
89.02979	1.0
93.03452	24.1
96.96002	2.0
99.00867	3.8
107.05024	14.0
113.02432	1.3
115.00365	16.7
115.01118	1.6
117.01925	18.7
119.05013	63.9
120.05325	2.0
121.02903	1.2
121.06591	2.8
125.02428	2.1
127.00471	1.0
133.02940	32.1
134.03754	15.0
135.04517	6.7
137.02428	3.4
147.02977	4.3
147.04492	5.1
149.06067	18.4
151.04012	2.8
161.00888	1.1
163.03993	100.0
164.04350	3.1
165.05556	3.7
175.02467	16.5
177.05566	8.1
178.02698	12.7
181.05043	29.5
191.05603	5.8
193.05038	51.6
194.05399	2.5
200.80495	1.0
212.06630	1.1
219.06641	1.4
221.04529	70.1
222.04846	3.9
233.04500	2.4
237.07635	10.4
263.05597	2.7
281.06635	46.2
281.09521	1.5
282.07065	3.3
337.09375	1.8
376.33508	1.0
403.78299	1.4
468.15619	0.9
470.71487	0.9
523.80890	1.0
571.66882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
59.01377	4.5
68.99814	0.9
69.45603	0.6
71.01383	5.5
71.62537	1.0
72.99301	1.2
73.02939	1.1
75.00853	2.5
83.01389	1.0
84.99271	0.6
85.01007	2.8
85.02940	1.7
87.00856	1.8
88.98798	0.8
89.02425	1.2
92.02707	0.6
93.03448	21.0
94.31155	0.6
95.01362	0.7
95.04995	2.1
96.96011	3.0
98.00087	0.6
99.00836	1.1
101.02405	2.1
103.00353	1.5
107.04973	0.8
108.02141	1.3
109.02946	0.7
112.98782	3.3
113.02414	2.4
115.02014	0.9
121.02942	4.5
123.04484	0.6
124.98793	1.2
125.02387	2.0
127.02052	1.0
129.01923	1.0
131.07098	2.4
135.04495	1.5
136.01637	7.0
137.02429	34.7
138.02730	2.1
139.02077	0.8
139.03972	0.8
145.01413	5.1
149.02446	0.8
151.03983	2.6
157.01363	2.4
173.08165	1.0
179.03476	17.3
180.03793	1.2
187.02440	0.6
187.04060	1.5
191.05583	2.1
217.85135	0.6
239.05531	4.6
250.38287	0.7
278.75632	0.7
327.08871	2.2
345.10010	2.8
359.07645	1.0
437.53732	0.7
447.10013	1.0
456.30502	0.6
465.11957	6.9
466.12656	0.7
479.13953	0.9
507.13135	0.9
537.11023	1.1
651.09253	0.6
684.09357	0.7
685.17841	100.0
686.18158	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.2
59.01374	6.1
61.98799	1.3
69.03444	1.0
70.76433	0.8
70.76792	1.8
71.01364	4.6
73.87760	0.7
83.04998	1.0
85.02953	0.7
89.02433	4.1
93.33333	0.7
95.05031	1.1
97.06585	12.9
98.20544	0.7
101.02430	4.0
101.03017	0.8
113.02426	1.6
113.04640	0.7
119.03477	1.2
123.08154	6.7
125.09711	92.5
126.10023	2.9
143.10739	1.1
161.04567	0.7
169.08662	1.8
179.05612	1.0
187.09737	67.5
188.10071	2.8
223.88173	0.9
237.70966	0.7
253.09360	2.7
255.23035	1.0
261.13425	1.0
277.21677	15.0
278.21979	2.2
379.28812	0.7
405.17670	4.7
411.88187	1.1
423.18619	13.8
683.40009	100.0
684.40399	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71830	0.7
54.72583	0.5
59.01373	37.3
70.01493	1.5
70.01885	0.7
71.01389	2.2
72.99300	5.1
78.36497	0.5
85.02982	0.6
89.02461	1.3
93.03454	1.2
95.01328	0.7
96.96008	2.1
97.02903	0.7
98.19934	0.7
101.02438	1.2
103.05495	1.0
108.02190	0.6
109.02955	2.0
113.02440	1.1
119.03571	0.7
119.05015	11.0
120.87836	0.6
121.02915	1.1
125.02429	2.2
133.02913	2.8
134.06104	1.2
135.04518	1.3
137.02420	0.8
145.02905	0.6
147.04509	100.0
148.04852	5.3
149.02425	0.6
151.00371	2.2
152.01166	0.6
152.07179	0.5
152.36444	0.6
161.02426	13.1
161.04509	0.5
163.00404	0.9
165.05548	85.1
166.05933	4.6
167.03522	0.5
179.03452	1.3
191.05568	0.9
193.01379	3.4
207.06599	61.1
208.06934	4.1
209.11786	2.2
213.65280	0.6
229.04941	0.7
239.11890	1.5
247.86230	0.5
271.06146	2.2
283.10809	1.9
295.10934	1.0
313.07156	11.3
325.03705	1.0
343.08090	2.4
397.13327	1.4
433.11334	25.5
434.11621	3.1
538.95520	0.7
585.58063	0.6
610.24500	0.9
654.22852	6.9
685.22852	0.7
686.25549	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	683.237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33168	0.3
59.01377	3.5
61.98812	0.3
67.07008	0.3
71.01373	0.6
73.02921	0.4
80.01943	0.3
85.02933	0.4
88.98763	0.3
96.95991	2.3
109.25715	0.3
120.99641	51.1
121.02975	0.7
121.99981	0.6
122.03767	0.3
145.02959	0.7
147.04495	1.1
148.05289	90.5
149.05600	3.6
163.07629	100.0
164.07967	5.3
203.05606	0.3
254.81250	0.3
284.03268	0.3
285.03955	0.7
367.13937	1.1
385.15479	0.3
423.16125	0.4
593.13037	1.1
622.57782	0.3
683.36584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.7
59.01373	3.0
66.91129	1.0
69.54310	7.4
71.01376	16.1
72.99306	22.8
75.00873	6.1
85.02949	25.1
96.96004	3.6
111.00881	2.0
111.71764	1.0
120.94810	0.9
121.02946	25.1
122.03271	1.1
129.01953	3.5
133.06566	1.1
135.04506	9.4
137.02345	1.2
161.06042	1.1
173.00931	2.8
189.05551	2.1
191.05617	3.1
192.07791	1.0
193.05081	1.1
195.08086	0.9
251.05577	100.0
252.05930	6.5
295.04565	40.5
295.07993	1.6
296.05005	3.0
387.16721	1.2
546.71027	1.0
683.25769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3483
Annotation	Lehualide K
Peak:m/z	Relative Intensity
51.90566	0.5
55.01867	1.1
57.03434	0.7
59.01376	9.5
70.94048	0.5
70.94404	1.0
71.01376	8.8
72.99292	4.8
73.02931	2.3
75.00865	2.0
83.01389	1.8
85.02943	5.5
87.00842	0.5
89.02423	2.4
95.01362	1.3
96.96015	1.6
99.00879	0.7
101.02437	5.5
106.29130	0.5
113.02448	2.4
125.02419	0.7
135.04460	1.1
135.98351	0.5
145.08646	0.9
161.04466	0.6
167.21083	0.5
179.03453	1.4
306.83228	0.5
373.25723	0.8
402.10797	0.8
417.13351	1.9
429.30057	0.9
439.28381	0.8
457.29428	1.1
501.15436	1.2
619.34937	2.4
635.35284	0.8
663.33612	1.9
681.34796	100.0
682.35181	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36770	0.8
53.93963	1.0
57.03446	6.9
59.01376	4.5
60.38688	0.9
61.98828	2.1
69.29366	9.0
71.01378	4.2
73.02953	1.9
75.00875	1.1
77.73275	1.0
81.03446	5.9
83.01382	5.4
85.02929	1.4
93.03438	11.7
95.35542	0.9
96.96007	9.1
97.02930	2.3
101.02422	1.4
107.04996	1.6
108.02142	2.7
109.02937	14.8
113.02416	2.0
116.83182	0.9
117.03465	11.4
119.05004	10.8
121.02941	3.9
122.03717	3.3
123.04525	10.3
125.02431	79.4
126.02755	2.6
132.39510	1.0
133.02960	3.7
133.06570	3.2
135.04529	2.7
137.02432	51.4
138.02783	2.0
139.04079	1.4
143.05000	1.2
145.02945	32.7
145.06575	3.1
146.03342	1.2
147.04498	2.9
149.02422	7.4
149.06015	1.5
150.03217	11.2
151.03992	10.2
159.04491	2.6
159.08151	1.1
160.05295	1.1
161.02434	15.3
161.06032	7.6
162.03160	3.4
163.00372	2.7
163.03996	15.3
163.07635	2.3
164.01135	4.0
165.01932	5.5
165.05484	7.6
167.71820	1.0
171.04453	1.0
175.03946	7.9
176.01117	1.3
177.01898	7.6
177.05563	3.9
179.03474	2.3
179.07231	1.3
181.05057	1.7
185.06050	1.3
187.03976	5.0
187.07594	13.5
188.04668	2.1
188.07837	1.4
188.70676	1.0
189.01930	2.0
191.03606	1.0
191.05585	1.6
195.06604	1.5
201.05573	2.1
203.03477	1.1
203.07161	4.5
205.05028	10.0
209.11833	1.3
211.03932	1.5
212.04733	1.0
213.05495	1.2
217.04941	1.9
221.08179	1.2
225.05592	1.9
227.07115	1.8
229.05031	1.6
231.06583	100.0
232.06905	7.0
235.06061	3.4
239.03484	1.1
243.02998	1.3
243.06560	1.6
245.04469	3.6
245.08174	5.5
255.02946	4.3
256.03598	2.0
257.04425	1.4
265.06876	4.8
269.04602	1.7
270.05267	1.7
271.05972	1.8
281.04645	1.0
281.08051	1.4
287.05615	1.7
289.07135	27.8
290.07388	1.5
299.05350	5.3
307.08005	1.4
315.08798	1.9
325.09082	2.4
329.06424	1.3
339.08612	2.5
341.06638	1.0
349.10840	1.5
351.08682	6.5
361.07138	1.3
373.25806	1.3
379.08209	2.3
381.09714	1.5
393.09772	29.4
394.10248	2.6
407.07553	5.8
408.07809	1.5
419.07733	2.6
425.08829	1.0
451.10040	7.2
476.14664	1.1
513.11768	14.4
514.11816	1.2
531.12933	20.2
532.13153	2.7
541.17206	3.5
635.21124	10.5
636.21185	2.5
647.21014	5.3
650.34247	1.1
665.22339	3.2
682.37183	1.4
683.18365	7.8
683.39728	6.2
684.17847	1.3
684.36841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3478
Annotation	Lehualide K
Peak:m/z	Relative Intensity
55.01863	1.1
57.03429	1.1
58.00574	0.6
59.01371	9.1
60.96675	0.4
61.88439	0.3
61.98823	0.7
61.99104	0.4
69.03435	0.6
69.38747	3.2
71.01372	9.8
72.99294	4.4
73.02929	2.5
75.00870	2.2
83.01370	2.8
85.01005	1.5
85.02936	4.6
87.00879	1.0
89.02447	2.0
93.03423	0.4
95.01390	0.9
96.96004	2.7
97.02915	0.7
99.00864	0.7
101.02436	5.6
113.02434	3.6
121.02939	0.8
125.02455	1.3
131.05011	0.8
135.04486	0.8
141.09967	0.5
145.02982	1.2
147.04486	8.0
161.02487	0.6
161.04843	0.4
161.06036	2.2
179.03484	0.9
183.57993	0.4
195.11403	0.4
205.12392	0.5
221.04506	0.6
223.13358	2.7
281.06512	0.9
285.03845	0.7
341.08469	0.9
353.28989	0.4
357.26315	0.9
397.13400	1.4
415.14526	0.8
429.29858	0.5
439.28540	0.9
449.14441	3.4
450.14752	0.9
453.78445	0.4
457.29297	1.1
475.14108	12.9
476.14432	1.8
519.31360	0.7
619.34924	2.3
621.27679	0.8
635.33868	0.8
646.45441	0.5
663.17371	0.7
663.33588	2.9
664.33582	0.8
681.18530	4.7
681.34772	100.0
682.19250	1.0
682.35083	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	42.4
64.79863	1.2
69.47046	8.5
72.88844	1.2
72.99301	4.7
78.00830	1.0
88.98871	0.9
96.95997	3.4
103.05526	1.2
119.05042	5.8
121.02937	1.7
147.04509	100.0
148.04846	5.5
165.05548	93.5
165.07043	1.7
166.05916	3.8
173.08183	1.0
187.09790	1.3
207.06602	53.7
208.06949	3.7
306.23636	1.1
463.08600	1.5
492.92593	1.5
681.26538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30147	0.3
54.91648	0.4
59.01369	1.6
63.02356	0.4
64.14899	0.4
65.00314	0.4
69.62173	2.7
71.01375	0.7
83.01366	0.4
86.31434	0.4
89.02429	0.5
96.95985	0.8
107.01364	1.0
113.06129	0.5
121.02920	0.5
125.02393	0.9
131.07115	3.2
148.01662	0.5
149.02422	2.3
150.03137	1.0
151.00349	2.1
173.08180	1.3
177.01851	0.5
191.03479	1.1
191.05537	0.7
227.03453	0.4
243.02895	0.7
255.02875	0.6
271.02509	0.4
272.03259	3.1
273.03473	0.6
300.02710	46.3
301.03464	41.6
302.03839	2.8
343.04584	0.8
463.08762	100.0
464.09021	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62937	0.7
55.01892	0.8
59.01094	0.9
59.01373	11.8
59.68375	0.6
61.01013	1.3
61.98818	1.4
62.40996	0.8
68.99791	1.1
69.03445	2.9
69.30202	7.2
71.01374	14.3
72.99296	3.8
73.02931	2.7
75.00871	1.3
79.25681	0.8
79.95715	1.1
81.03432	1.0
83.01395	4.0
84.01371	1.2
85.01021	12.9
85.02941	4.4
87.00868	3.0
88.98838	0.7
89.02442	5.3
89.69408	0.7
93.03441	1.3
95.01363	1.0
95.05027	2.1
96.81944	0.7
96.96005	9.6
97.02934	2.7
98.20612	1.6
99.00858	1.7
101.02424	6.4
103.05474	0.9
106.81254	0.7
109.02899	0.9
112.98815	1.7
113.02431	3.3
115.02053	2.7
115.05433	0.9
117.03416	1.0
119.03510	1.2
119.04989	1.6
125.02452	4.8
127.02070	1.4
131.05046	2.3
133.02882	0.7
133.06584	1.4
135.04521	2.2
143.03468	1.1
145.01379	3.4
145.02963	2.8
147.04506	55.5
148.04826	3.9
155.11919	0.8
161.02399	1.1
161.04663	1.4
161.06038	15.6
169.06595	1.0
179.03519	1.1
183.04642	1.0
187.04184	2.1
189.05554	2.8
191.05585	1.9
195.13904	1.6
205.12332	1.5
223.13342	13.6
224.13837	0.9
235.08220	1.2
240.55150	0.9
267.10638	1.1
285.03989	4.2
327.08926	2.8
335.09259	1.1
341.08621	1.1
357.26587	1.7
395.20914	2.0
397.13358	8.4
415.14490	4.5
449.14426	15.2
450.14917	2.9
474.14438	2.5
475.14111	100.0
476.14462	13.3
517.15411	1.5
519.31635	1.8
619.34399	1.5
621.27472	4.3
663.17859	1.8
663.33710	0.9
671.27649	0.9
681.18439	44.7
681.34930	54.5
682.18341	7.2
682.35193	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	681.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.5
60.28285	0.5
71.01374	2.7
83.01388	0.5
85.06577	4.2
89.02432	2.0
93.03442	0.5
96.95998	1.1
101.02435	1.1
107.01359	1.1
109.02914	0.7
113.02452	0.5
113.06078	5.5
114.98712	0.5
119.03487	0.8
121.02905	0.8
131.07129	37.8
132.07452	1.4
148.01620	0.9
151.00357	8.1
163.00342	1.3
163.04059	0.5
173.08162	20.3
174.08481	0.8
175.04070	0.7
178.99847	3.7
179.05608	0.5
212.89664	0.5
213.02036	0.5
214.94926	0.5
226.02698	0.8
227.03485	1.9
243.02905	4.9
245.04433	0.8
254.02238	1.1
255.02959	14.6
256.03378	1.4
271.02444	31.5
272.02786	3.0
273.03888	0.9
299.01810	1.2
300.02710	69.0
301.03433	34.6
302.03812	2.7
463.08759	100.0
464.09088	11.8
648.66064	0.5
681.26208	0.9
706.95734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1504
Annotation	Luteolin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.27255	0.3
59.01377	3.7
63.02387	0.7
63.90713	0.3
65.00307	0.5
65.12018	0.3
69.85012	1.2
69.85424	0.5
71.01376	2.1
74.83593	0.3
75.00861	0.5
78.36026	0.3
83.01364	0.7
85.02947	3.0
85.06586	1.0
85.25637	0.3
87.00869	0.6
95.01374	0.9
96.96021	0.7
99.00883	1.1
103.00346	0.3
105.03474	0.5
107.01357	1.3
107.02003	0.3
113.02466	1.8
113.06057	0.7
114.04111	0.3
117.01953	0.4
121.02981	0.4
129.01936	0.5
131.07130	4.8
133.02942	4.8
149.02380	1.1
151.00349	3.6
166.97752	0.3
173.08150	1.7
175.02585	0.5
175.03947	1.8
177.01889	0.4
185.06001	0.5
199.03946	2.2
201.01865	0.7
213.05548	0.6
215.03477	0.4
217.05023	1.3
241.05035	1.1
243.02977	0.6
266.72742	0.3
285.04007	100.0
286.04327	8.3
327.05038	1.3
349.01965	0.3
357.05988	1.0
381.68869	0.3
461.07193	44.2
462.07550	4.9
538.56238	0.3
679.23004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
56.71857	0.4
57.03438	0.7
58.00573	1.6
59.01374	38.6
61.98810	1.2
68.99800	0.6
69.03442	2.1
71.01376	34.2
71.09433	0.4
72.99298	3.2
73.02937	5.3
75.00852	1.1
80.96500	0.6
81.03446	1.3
82.95398	1.2
83.01384	3.7
83.05031	0.4
85.02943	7.6
87.00867	9.6
89.02435	29.9
90.02790	0.5
91.03976	0.7
95.01372	2.4
96.95988	0.5
97.02941	5.9
99.00850	2.3
99.04547	0.6
101.02432	30.1
102.02780	0.5
103.03996	0.5
109.02969	0.4
111.00898	0.5
111.04491	1.1
113.02435	12.9
114.02766	0.4
115.03999	0.8
116.92749	0.5
119.03495	9.5
121.02915	0.5
124.01698	0.4
125.02431	12.5
126.02779	0.6
126.98193	0.4
127.04002	0.7
131.03477	1.7
133.05023	0.9
139.00308	0.5
141.01910	0.7
143.03473	6.1
144.99309	0.3
149.04472	1.0
150.02785	0.3
161.04527	6.6
167.03494	1.1
171.02960	0.5
179.05583	6.4
185.04544	0.9
199.06093	0.6
203.05574	0.4
217.07167	1.1
221.06624	2.1
235.08203	12.4
236.08585	0.6
237.06180	0.4
245.06664	1.0
253.09164	3.1
261.22183	0.6
263.07660	1.6
277.09100	0.8
279.23254	100.0
280.23593	8.7
287.07703	3.8
293.24814	0.5
305.08777	3.8
323.09747	1.6
361.11215	0.6
379.12183	1.1
397.13452	84.1
398.13742	6.5
399.12280	0.4
415.14526	32.5
415.44299	0.5
416.14877	2.5
463.16382	0.4
577.26990	0.8
677.37341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.5
58.00562	0.7
59.01372	5.3
61.98817	6.5
70.01582	0.9
70.01997	1.6
71.01379	6.0
72.99281	0.9
73.02933	2.2
80.99855	0.5
82.46568	0.5
83.04971	0.8
85.02924	1.3
87.04478	1.0
89.02421	1.2
93.03396	0.7
95.01370	0.5
96.96003	10.0
97.06556	0.8
98.19967	0.9
101.02425	2.2
103.44430	0.5
109.02917	0.8
111.08127	0.9
112.21393	0.6
113.02428	1.0
113.09760	0.5
119.22826	0.5
121.02940	0.5
123.00887	0.6
123.04518	0.6
123.08131	1.9
125.02399	1.3
125.09689	4.7
127.11263	3.1
137.02432	1.2
137.09686	3.8
139.11237	0.6
141.09180	0.6
151.00339	0.8
153.09174	1.0
153.12828	1.7
155.10773	9.4
156.11028	0.7
157.05052	0.7
165.01869	0.6
167.10680	0.6
171.10266	4.5
173.11887	0.5
177.01970	0.7
179.03517	0.5
185.11792	1.7
199.13315	2.4
201.14914	4.8
209.11765	3.1
210.12123	1.7
211.12321	0.6
217.14432	3.1
227.12810	1.8
228.13062	0.9
229.14410	8.0
230.15173	3.0
231.15831	0.6
285.03992	0.5
289.07190	0.9
294.66409	0.5
297.11935	0.8
325.23380	0.6
335.12466	0.6
337.23886	3.2
355.24896	10.2
357.26569	0.8
359.27817	0.7
371.24286	1.7
373.25885	36.6
374.26263	4.0
387.27472	18.8
388.27646	3.0
396.27213	0.6
415.26843	3.1
438.38269	0.5
675.35883	100.0
676.36206	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	677.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79796	0.8
59.01378	6.4
61.98825	10.4
68.99570	18.1
71.01381	5.1
73.02924	1.7
79.94358	0.8
79.94847	0.8
81.03471	1.0
82.95424	1.1
83.01378	1.3
83.05002	4.8
85.02958	1.6
87.00880	0.8
89.02420	4.0
93.03435	2.4
95.05032	1.2
96.96005	12.6
98.95580	1.2
101.02428	3.6
109.02942	1.0
109.06593	1.0
112.98559	17.3
113.02434	2.4
116.32790	0.7
116.92918	0.9
121.02941	1.3
123.04501	1.3
125.02456	1.9
125.06120	0.9
127.11269	3.3
135.08182	1.1
137.02432	2.2
137.49742	0.8
139.04030	4.6
142.82709	0.8
143.03474	0.7
145.02954	2.0
151.00374	1.1
161.02431	1.2
161.04536	3.2
163.04054	0.9
163.11278	3.2
165.12779	1.6
171.10257	100.0
172.10553	3.9
177.01897	2.1
177.26541	0.8
191.05524	1.1
197.11760	0.9
209.11806	84.9
210.12148	5.8
217.14392	2.2
227.12897	10.7
235.08188	2.9
253.09250	8.3
269.04498	2.0
285.03812	1.5
327.25238	1.3
339.25327	1.4
355.24762	1.8
357.26376	7.3
358.26563	1.6
371.24200	2.3
373.25595	1.1
387.23941	1.1
389.25302	1.4
407.19101	2.8
417.24670	1.1
445.20486	3.2
641.35266	2.9
642.35590	1.1
677.18829	3.1
677.33386	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	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03225	0.3
57.03449	3.9
58.00577	0.7
58.20619	0.4
59.01366	4.2
61.98558	0.5
61.98827	5.9
70.00742	1.8
70.01114	0.9
71.01374	7.4
73.02926	1.8
83.01366	0.8
83.05024	0.5
85.02946	1.4
87.04499	1.3
88.98821	0.5
89.02439	1.5
89.30878	0.4
93.03471	0.7
93.85553	0.4
95.05006	1.3
96.96000	11.7
97.06574	0.9
101.02435	1.1
105.79312	0.4
106.85478	0.5
109.02962	0.6
111.08154	1.1
113.02430	1.3
121.02884	0.7
123.04515	0.6
123.08131	1.8
125.02409	1.8
125.09704	6.5
127.11272	3.5
128.36783	0.5
137.02461	0.5
137.09709	4.4
138.10036	0.6
139.07625	0.6
141.09186	0.9
145.02956	0.5
153.09186	1.1
153.12816	1.3
155.10760	10.5
156.11029	0.8
157.04947	0.6
157.12318	1.0
167.10722	0.7
171.10262	4.1
183.13853	0.8
185.11743	2.2
187.56531	0.5
193.01347	0.7
199.13400	2.3
201.14946	6.0
201.46834	0.4
209.11810	5.4
210.12230	2.2
211.12224	1.1
214.12030	0.8
217.14435	2.7
218.17484	0.5
227.12756	2.0
228.13222	1.6
229.12665	0.5
229.14496	8.5
230.15149	3.5
231.15831	0.7
234.19414	0.5
239.02950	0.4
243.12354	0.7
281.21503	0.6
285.03943	1.0
297.11578	0.7
327.21689	0.8
335.12375	0.9
337.23764	3.5
338.24161	0.6
342.55048	0.5
355.24860	11.9
356.25351	1.0
357.26465	0.5
359.27975	1.3
371.24103	1.0
373.25891	37.8
374.26355	4.2
387.27472	18.5
388.27826	1.6
398.18344	0.5
415.26962	4.1
513.27277	0.8
675.35870	100.0
676.36249	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	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47020	0.2
55.01879	1.7
56.91275	0.2
57.03435	1.7
58.00589	2.2
59.01374	51.5
60.01718	0.3
61.98817	0.9
68.99816	0.5
69.03452	2.3
71.01376	43.0
72.01717	0.6
72.99300	3.5
73.02940	7.2
73.03333	0.4
75.00884	1.0
78.95916	0.4
79.13986	0.2
81.03442	2.0
83.01379	4.8
83.05029	0.7
85.02943	9.4
86.00114	0.4
86.03289	0.4
86.47778	0.2
87.00868	9.8
87.04512	0.4
89.02435	37.8
90.02772	0.4
91.04000	0.7
93.03439	0.4
95.01379	3.1
95.05054	0.3
97.02945	7.5
99.00859	2.8
99.04509	0.5
101.02434	35.9
102.02769	0.7
103.00349	0.3
103.04025	0.5
109.02951	0.7
111.00889	1.0
111.04514	1.4
113.02439	16.5
114.02760	0.5
115.04006	1.0
119.03490	11.7
121.02987	0.7
123.00890	0.5
123.04487	0.4
124.01590	0.3
125.02435	15.7
126.02734	0.5
127.03986	0.7
129.01961	0.3
131.03494	2.0
133.05077	1.4
139.04002	1.2
141.01939	0.8
141.33670	0.2
142.02611	0.2
143.03484	7.4
149.04512	1.3
152.99612	0.4
155.03516	0.3
161.04544	9.2
162.04878	0.3
167.03514	1.0
169.05022	0.5
171.02988	0.4
179.05586	8.6
180.05951	0.3
181.05136	0.3
185.04485	0.9
187.87886	0.2
199.06172	1.0
203.05563	0.4
217.07079	1.2
219.05119	0.6
221.06633	2.7
233.22717	0.4
235.08199	16.2
236.08504	0.8
245.06560	1.0
253.09250	4.7
259.20657	0.4
263.07657	1.7
275.20126	0.7
277.09543	1.0
277.21683	100.0
278.22034	8.8
278.25162	0.3
287.07669	3.8
288.08066	0.3
291.23413	0.4
305.08759	4.9
323.09750	2.3
361.11368	0.7
379.12357	1.0
397.13446	93.5
398.13794	7.5
398.19083	0.3
415.14511	39.3
416.14883	3.0
593.27124	0.5
675.35120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.3
59.01369	23.6
61.98820	44.0
65.37999	5.0
69.08305	4.4
71.01379	13.2
71.62627	7.2
74.99148	4.0
83.01360	5.0
87.00876	5.2
89.02428	9.6
96.96002	40.0
101.02439	6.8
109.02953	5.1
113.02410	4.7
117.95692	4.1
124.27417	4.8
125.02418	9.0
161.04486	5.5
169.12291	7.6
171.10217	19.1
178.69318	4.8
187.07602	15.2
197.11826	100.0
198.12096	5.8
209.11801	90.9
210.12076	11.2
211.13509	5.4
227.12849	10.2
253.09302	10.5
257.08191	15.0
277.12872	5.4
294.57507	5.8
311.99619	5.7
343.28497	10.5
355.24734	8.2
357.26263	5.2
371.24084	6.0
373.25851	8.3
385.66370	5.0
398.26956	4.5
428.21713	5.2
433.20932	6.2
621.32831	16.6
623.25934	5.1
626.22595	5.4
631.30792	9.2
639.33551	10.4
675.33380	56.9
676.33459	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03440	1.1
58.00585	2.4
59.01373	50.7
60.01722	0.3
61.98839	1.0
67.01870	0.3
68.99812	0.5
69.03458	2.4
71.01374	42.5
72.01717	0.6
72.99296	3.2
73.02938	7.4
75.00853	0.9
78.95901	0.2
81.03442	2.0
81.03849	0.2
83.01375	5.0
83.05016	0.4
84.01704	0.2
84.02184	0.2
85.02940	9.3
86.00093	0.6
86.03283	0.2
87.00865	10.7
87.04510	0.5
89.02433	38.9
90.02769	0.5
91.03984	0.9
93.03443	0.5
95.01384	3.3
95.05003	0.2
97.02939	7.5
98.20728	0.3
99.00877	2.4
99.04526	0.5
101.02431	36.8
102.02779	0.7
103.00353	0.6
103.04014	0.5
104.65762	0.2
109.02934	0.8
109.90913	0.1
111.00858	0.8
111.04510	1.4
112.01653	0.4
113.02435	16.8
114.02713	0.4
115.03970	0.8
119.03487	11.1
120.03827	0.2
121.02950	0.7
123.00889	0.5
123.04513	0.5
124.01659	0.5
125.02432	14.5
126.02823	0.3
126.78291	0.2
127.03989	0.5
127.07632	0.3
129.01901	0.3
131.03487	1.8
131.08134	0.2
133.05060	1.2
135.04504	0.3
137.02475	0.3
139.03990	1.4
141.01945	0.6
141.05579	0.3
142.02731	0.3
143.03485	7.2
145.05051	0.2
149.02422	0.3
149.04521	1.3
151.03925	0.2
155.03435	0.2
157.05119	0.2
157.43269	0.2
161.04538	8.8
162.04836	0.2
163.04008	0.2
167.03441	1.0
169.05070	0.6
171.03008	0.4
173.04466	0.2
179.05592	7.2
180.05858	0.2
181.05009	0.3
185.04543	0.5
199.06081	0.7
203.05608	0.7
205.19649	0.3
217.07053	1.1
219.05061	0.4
221.06624	2.7
227.05745	0.2
233.22769	0.5
235.08182	15.6
236.08539	0.7
245.06534	0.9
253.09256	3.8
259.20663	0.5
263.07672	1.7
275.20078	0.5
276.89908	0.2
277.09589	1.1
277.21667	100.0
278.22006	8.5
287.07684	4.0
288.08228	0.2
291.23254	0.6
305.08768	4.8
323.09879	1.7
361.11383	0.6
379.12585	1.0
397.13434	90.3
398.13791	6.6
398.19086	0.2
415.14496	39.0
416.14801	3.0
634.07526	0.2
675.35986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16479	0.1
59.01373	0.6
61.98824	1.3
68.89242	0.1
68.99570	0.2
69.27976	1.0
71.01375	0.7
72.99317	0.1
73.02941	0.2
78.95882	0.3
79.95732	3.5
80.02641	0.1
83.01360	0.1
83.05019	0.3
83.22287	0.1
85.02943	0.2
85.71822	0.1
86.67363	0.1
87.00877	0.1
88.98794	0.2
89.02430	0.3
93.03435	0.3
94.31709	0.1
94.98041	0.1
96.96004	100.0
97.95943	0.4
98.19897	0.2
101.02434	0.4
107.43104	0.1
111.04510	0.1
112.98557	0.1
113.02474	0.1
113.40942	0.1
117.03455	0.2
119.03535	0.1
125.02390	0.5
135.04517	0.4
136.07686	0.2
137.02440	0.6
138.01985	0.4
139.04013	0.3
145.02937	0.7
147.04584	0.1
150.56306	0.1
151.00333	0.3
151.11263	0.1
161.04529	0.3
163.11243	0.2
165.12793	0.1
169.05057	0.3
171.10252	0.2
177.01953	0.1
179.03468	0.2
185.11809	0.6
199.13417	0.2
209.11824	3.8
210.12157	1.6
211.12329	0.1
225.11359	0.1
227.12903	2.3
228.13203	1.1
229.13397	0.1
235.08310	0.2
253.09328	0.3
254.09767	0.2
264.87250	0.1
269.04596	0.4
273.07187	0.1
284.03137	0.1
285.04300	0.2
287.05643	0.1
297.11942	0.2
357.26526	0.3
358.26895	0.1
359.28003	0.2
367.01382	0.2
371.24313	0.2
373.25739	0.2
464.22504	0.2
470.83963	0.1
494.53662	0.1
513.27295	0.1
577.13269	0.3
578.14130	0.2
598.34778	0.1
599.25555	0.1
639.33972	0.4
643.23730	0.1
674.34564	0.5
675.10449	0.3
675.33612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.0
57.25938	1.6
58.00580	2.4
59.01375	71.4
67.20867	1.8
69.27749	18.0
71.01379	54.8
72.99293	3.5
76.85344	1.8
81.03453	2.3
83.01379	4.4
85.02943	10.2
87.00856	5.2
89.02438	66.2
89.02990	3.5
90.87455	1.5
93.03446	4.4
95.01389	3.0
95.05003	2.0
96.95999	26.5
97.02924	5.0
98.20623	3.8
101.02444	28.2
101.73497	1.5
104.47137	1.5
109.02942	25.6
113.02452	20.7
113.27950	1.9
119.03489	25.1
119.05004	7.4
120.99619	4.6
121.02937	4.9
123.04534	16.0
125.02419	18.8
131.03503	3.7
133.62708	1.7
135.04529	4.2
137.02438	14.6
139.03970	4.2
143.03477	5.9
146.03745	2.3
149.02414	5.5
149.04495	3.1
150.03221	2.4
151.04001	10.5
159.04454	1.8
160.05309	1.8
160.99500	1.7
161.02452	2.0
161.04527	9.5
161.06038	5.9
161.09692	4.2
162.03268	1.9
163.04015	6.7
164.01114	4.7
164.04434	1.8
165.01971	4.0
173.06177	2.3
175.03998	3.4
179.03534	5.2
179.05589	25.7
187.03938	5.0
188.04828	2.0
191.05571	11.9
203.07126	9.8
205.04985	7.3
221.08253	2.4
223.06047	3.8
245.08186	15.0
289.07153	100.0
290.07486	5.8
307.14041	4.0
341.16052	25.5
342.16370	2.7
351.33212	1.6
385.14996	7.9
392.47287	1.9
403.87408	1.7
675.19818	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	673.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.2
57.03454	0.2
58.00595	0.1
59.01371	2.0
69.03458	0.1
71.01374	1.9
71.05036	0.2
72.99313	0.1
73.02950	0.4
76.17912	0.1
80.02666	1.0
81.03445	1.1
83.01400	0.3
83.05013	4.8
84.02164	0.8
84.05365	0.1
85.02933	0.4
87.00877	0.3
89.02434	1.3
93.03437	0.2
93.15704	0.1
95.01376	0.2
95.05021	0.6
97.02953	0.2
97.06590	0.2
97.69054	0.1
101.02428	1.9
102.64350	0.1
109.06600	0.4
110.70113	0.1
111.04478	0.1
111.08150	0.1
112.94019	0.1
113.02440	0.8
119.03487	0.4
123.08128	0.1
125.02432	0.1
125.06084	0.6
125.09721	0.3
131.03427	0.1
135.06044	0.1
135.08168	0.5
137.02267	0.1
143.03497	0.1
145.05032	0.2
147.11815	0.2
149.09689	0.1
150.06950	0.1
151.07234	0.1
161.04572	0.7
161.09691	0.1
163.11269	3.7
164.11610	0.3
165.12814	2.5
169.05086	0.1
171.10245	1.6
179.05595	0.3
181.12317	0.6
191.10779	0.9
196.65785	0.1
199.13324	0.4
209.11795	100.0
210.12131	6.3
221.11830	0.2
223.13293	0.2
227.12848	13.6
228.13171	1.1
235.08195	1.7
247.13388	1.0
253.09245	5.3
254.09561	0.2
265.14398	0.4
401.23062	0.3
407.19003	0.1
409.25443	0.1
419.24319	0.3
437.25632	0.1
445.20709	0.9
446.21057	0.1
463.21649	0.2
483.22299	0.1
529.75586	0.1
611.30670	0.2
637.32037	0.7
638.31830	0.1
655.32690	0.4
673.31335	0.2
673.41058	0.2
679.98816	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	673.342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
58.00579	1.2
59.01376	7.3
61.98826	7.8
70.24810	2.8
71.01057	0.7
71.01379	8.4
71.04954	1.0
72.99292	0.8
73.02915	3.0
73.89962	0.8
82.28120	0.7
83.01386	1.1
83.05018	2.2
85.02930	2.0
87.04492	2.9
89.02446	1.5
93.03446	1.2
93.07060	0.9
95.04974	1.3
96.96008	5.2
97.06580	1.6
99.00878	0.6
101.02415	2.6
101.06057	0.7
109.02892	0.9
113.02414	1.9
113.06041	1.2
119.03517	0.9
121.02905	0.9
121.10220	0.7
123.04557	0.9
123.08115	2.2
125.02420	1.8
125.09721	6.7
135.08150	0.9
137.02429	1.2
137.09702	2.2
139.11264	2.1
141.12808	0.7
145.02937	1.1
151.11258	1.7
153.09161	1.2
153.29697	0.7
155.10770	7.2
157.05020	0.9
161.04510	0.9
161.09595	0.8
163.11259	2.0
165.12781	1.4
169.12286	1.5
171.10260	6.6
179.03362	0.6
179.05585	0.7
181.12253	1.2
183.13968	1.1
185.11751	2.4
197.11774	2.1
199.13377	4.7
209.11813	42.5
210.12155	2.1
214.12094	2.0
215.12756	2.3
221.06554	1.1
225.11330	0.7
227.12862	23.1
228.10614	0.6
228.13394	2.9
229.14323	1.5
235.08112	0.8
253.09370	3.2
284.03110	0.8
285.03781	0.9
297.12039	3.1
323.22186	1.1
325.23648	1.6
335.22299	1.8
341.23288	3.8
349.37982	0.6
353.23309	20.0
354.23587	2.0
357.26447	5.2
359.28104	3.6
371.24347	41.4
372.24554	4.0
385.25931	5.5
401.23300	1.0
403.29840	0.7
413.25293	3.4
463.21915	1.3
493.23727	0.9
637.31378	1.1
655.33405	1.6
673.34253	100.0
674.34705	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	673.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.4
58.00565	0.6
59.01136	0.5
59.01376	6.7
61.98824	6.5
62.95742	0.5
69.03404	0.5
69.89606	2.8
71.01377	5.0
71.57561	0.5
72.99261	0.5
73.02946	1.1
81.03439	2.3
82.95390	0.9
83.01358	0.7
83.05013	2.5
85.02946	3.6
87.00859	1.3
89.02423	2.0
93.03426	2.2
95.01364	2.4
95.05004	0.8
96.95441	0.6
96.96007	7.2
97.02908	0.8
98.95586	1.4
99.00879	0.5
101.02406	1.9
106.36955	0.5
108.02166	50.1
109.02956	34.1
110.03226	0.8
113.02411	1.9
119.03498	0.5
119.04958	0.7
121.02921	1.9
123.00900	2.3
123.04525	4.0
125.02430	10.8
135.04489	0.8
135.08139	0.8
137.02458	2.8
139.03998	0.9
149.02393	0.5
150.03198	0.5
150.06842	1.0
151.00314	1.4
151.03925	1.9
152.01138	57.9
153.01924	19.0
153.05548	2.8
153.09213	0.6
154.02258	0.7
161.02458	3.2
161.04500	0.6
163.03972	2.0
163.11273	2.5
165.01889	2.0
165.12807	1.4
167.03453	0.7
169.12181	0.7
171.10217	1.3
177.01855	1.1
179.10710	1.4
185.11742	1.0
187.03966	0.9
191.05649	0.9
209.11806	53.2
210.12152	3.1
227.12875	8.1
229.08607	0.6
235.08138	1.0
253.09276	3.1
255.02939	1.2
273.04111	1.0
287.05511	0.9
289.07330	2.3
329.23248	0.7
357.26361	1.9
371.24234	1.0
373.25790	0.9
375.27466	23.5
376.28000	2.5
387.23843	0.8
405.24969	1.1
407.07224	0.7
420.95477	0.5
503.13116	1.1
511.35947	2.2
521.14307	1.3
637.31787	0.7
673.34082	100.0
674.34460	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01368	3.4
61.98814	3.0
69.30644	0.5
69.31258	4.3
71.01369	2.4
74.99094	0.6
78.95913	0.6
79.95725	1.8
85.02950	1.4
87.00867	1.6
88.98810	1.2
89.02440	2.7
90.44533	0.5
93.03447	3.5
95.05028	1.1
96.96003	47.7
97.06598	2.1
98.28420	0.6
99.04520	0.8
101.02421	1.1
106.98985	0.6
107.01379	1.0
108.02161	1.1
109.02943	1.8
109.06593	0.6
113.02446	1.3
119.03454	0.6
121.02944	1.3
121.06598	0.7
123.04527	1.2
123.08125	0.7
125.02444	3.5
135.04527	1.5
136.05289	8.0
137.02446	6.1
139.03979	1.2
145.02936	0.6
148.25670	0.6
149.06042	1.9
150.05634	1.0
150.06851	16.6
151.00343	2.5
151.04054	0.8
151.07353	1.1
153.01947	1.0
162.06827	1.2
163.03970	0.8
163.07617	3.2
164.08395	4.1
165.09183	8.3
167.03438	0.9
173.08218	0.7
175.00374	1.3
175.04016	0.7
177.01958	0.6
177.09203	1.0
178.10010	1.3
178.99773	0.6
179.10765	8.2
179.12245	1.1
193.01378	2.7
209.11821	0.9
215.09290	1.0
237.61156	0.6
271.02457	0.7
280.63263	0.6
285.04034	7.0
286.04175	1.0
299.01871	1.3
301.03372	0.9
319.04712	1.0
320.19983	0.8
327.09915	0.7
329.19604	4.2
335.22275	1.2
343.21262	1.7
350.21069	1.1
373.26169	0.8
387.23917	1.1
427.28485	2.3
463.30573	2.2
491.30048	2.3
508.30411	2.0
509.31039	24.1
510.31393	3.9
582.22186	0.6
671.36456	100.0
672.36755	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	671.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01362	1.0
61.98811	1.5
69.18777	0.3
70.93993	0.6
71.01373	0.5
71.42072	0.3
80.97746	0.4
85.02963	0.9
96.96005	0.6
113.02478	0.4
113.03252	0.3
113.06081	0.5
122.29745	0.4
126.18149	0.4
127.11259	0.5
136.05298	0.4
137.09718	0.7
139.03989	0.7
149.06090	4.3
150.06851	39.6
151.07173	1.8
153.78790	0.3
155.10803	0.5
161.09749	0.6
162.06758	0.4
163.07635	9.1
164.08412	6.0
169.05109	0.7
176.08420	1.8
177.09123	0.8
178.10017	2.4
179.10751	11.1
180.11069	0.4
207.10199	0.8
209.11790	1.5
225.11229	0.7
235.08363	0.4
257.30112	0.4
265.21661	0.5
327.25351	1.1
329.23300	5.0
330.23627	0.6
339.25293	0.5
356.17734	0.4
357.26462	1.1
387.90472	0.4
430.30667	1.0
445.32953	0.8
446.34369	0.5
447.09952	0.3
447.34720	0.5
448.31842	7.3
449.32291	0.9
462.33521	1.1
463.34232	11.1
464.34457	1.5
472.31760	0.4
490.32919	2.2
491.33902	2.7
493.35263	0.5
508.34021	2.9
509.34775	28.7
510.35074	4.1
671.40088	100.0
672.40417	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	0.6
57.03451	0.6
59.01373	9.8
59.01632	0.7
61.98832	5.0
68.40421	0.6
69.03471	1.1
69.80148	3.4
71.01368	8.2
72.99310	1.0
73.02955	1.4
80.02681	1.7
81.03476	2.5
83.01392	1.2
83.05017	7.4
84.02174	1.2
85.02979	2.3
87.00886	1.3
89.02425	4.5
93.03474	2.3
95.01389	1.5
95.05044	1.9
96.96025	2.6
97.02959	5.2
97.06586	1.0
98.20579	0.8
99.00892	1.8
101.02430	5.7
107.04989	0.9
109.02958	1.3
109.06577	20.0
111.04516	1.0
112.70783	0.7
113.02422	3.2
121.02949	1.0
121.06600	2.4
123.04531	1.0
123.08163	0.9
124.01695	1.7
125.02415	3.1
125.09729	2.7
127.11209	0.7
135.08165	3.0
137.02408	1.5
141.02065	0.6
142.02708	1.4
143.03519	0.7
145.02945	1.8
145.10208	0.7
149.99583	1.2
150.06790	0.8
161.04533	2.5
161.09746	1.4
161.76691	0.7
163.03940	1.0
163.11272	17.0
164.11555	1.1
165.12846	2.5
168.00658	1.4
171.10268	9.7
179.05682	0.8
179.10674	1.1
181.12366	4.5
185.11906	2.8
187.09695	0.8
188.31392	0.6
189.09224	1.6
191.10835	0.9
201.11357	4.1
207.10240	58.8
208.10628	3.0
209.11804	100.0
210.12148	5.0
223.13261	1.0
225.11296	37.5
226.11682	2.1
227.12869	13.2
228.13145	1.3
231.10233	1.3
235.08220	4.5
245.11761	1.1
247.13229	1.4
249.11246	1.3
251.12930	1.0
253.09259	9.2
263.12881	1.8
265.10309	0.6
265.14294	1.1
277.12851	1.4
281.13980	1.1
285.04135	0.7
293.08878	0.7
299.14999	0.9
329.23126	1.3
357.26456	1.5
399.21674	5.6
417.22714	6.1
435.23804	0.8
443.19080	2.6
445.20404	1.2
461.14096	1.0
461.20221	11.5
462.20267	1.0
485.20352	0.7
609.29102	0.7
635.30676	10.8
636.30914	1.3
653.21619	0.9
653.31628	14.8
654.32153	3.6
671.32367	39.9
672.32916	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73874	0.5
57.03431	1.0
59.01366	1.7
61.98813	3.6
69.28939	1.5
69.29345	3.6
71.01363	2.0
72.99298	0.7
75.00869	0.5
79.95729	1.7
83.05004	0.8
85.02946	1.2
87.00877	1.7
88.98786	1.3
89.02431	1.3
93.03436	2.4
96.96001	38.2
97.06560	2.0
99.04529	1.0
101.02406	1.3
108.02135	1.2
109.02962	1.1
109.06561	1.1
111.04471	0.7
113.02470	1.0
116.04301	0.5
121.02905	1.0
121.06659	0.6
122.53882	0.5
123.04497	1.4
123.08157	0.9
125.02421	2.0
127.07568	0.5
135.04504	1.5
135.08162	0.8
136.05281	10.6
137.02415	5.4
137.06070	0.8
139.03993	0.9
149.06036	3.6
150.06842	20.4
150.63658	0.6
151.00331	1.0
151.03981	0.7
151.07288	0.9
152.01093	1.0
153.01906	0.6
161.04559	0.6
162.06876	0.8
163.07643	3.5
164.08420	5.4
165.09195	9.7
167.03552	0.7
173.08206	0.6
177.09189	0.9
178.09947	1.3
179.10747	9.7
193.01358	1.1
209.11670	0.7
215.09120	0.7
229.10866	0.6
241.08607	0.6
243.10271	0.5
285.04105	3.3
286.04300	0.7
292.20432	0.5
299.01886	1.6
321.20645	0.8
327.21738	0.7
329.19604	3.7
335.22360	1.3
343.21133	1.7
350.20828	1.3
364.22641	0.8
387.23694	0.9
401.69119	0.6
427.28574	2.9
445.29480	1.4
461.07083	1.2
463.30624	2.6
491.29962	1.6
492.30154	0.9
508.30426	2.5
509.31076	26.2
510.31256	3.5
619.92896	0.6
671.36414	100.0
672.36761	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	671.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23053	0.5
57.03447	1.0
59.01355	1.8
61.98572	0.4
61.98830	3.7
69.03458	0.8
71.01373	2.2
73.02937	0.8
75.38569	0.5
81.03437	1.5
85.02950	2.6
87.00866	0.6
93.03465	3.3
95.01373	1.9
96.96003	5.2
101.02428	1.4
105.07117	0.6
108.02164	48.5
109.02952	35.0
110.03268	1.2
110.25311	0.5
113.02424	1.1
118.50248	0.6
119.03475	0.5
120.99666	0.5
121.02893	1.6
123.00854	2.2
123.04492	2.3
123.08170	0.7
125.02410	0.8
125.09727	1.2
127.11217	0.6
135.00778	0.6
135.04532	0.7
137.02452	4.4
145.02969	0.5
151.03984	1.1
152.01140	54.8
153.01935	18.9
153.05539	1.0
154.02290	0.6
163.03929	0.8
164.08344	1.7
165.01848	0.7
171.10226	2.0
174.01630	0.8
192.04128	0.8
192.99641	0.9
207.06598	0.9
207.10246	0.7
208.01938	1.5
209.11813	2.0
223.04356	3.8
225.11298	1.7
227.12820	0.6
241.05383	0.8
245.15721	0.5
285.03833	0.7
297.06427	0.6
329.06860	1.4
355.24680	1.0
369.22208	0.5
371.24142	0.8
373.25888	19.1
374.25937	2.5
403.10275	1.3
491.12531	2.3
671.32715	100.0
672.33051	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	671.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.00579	0.6
59.01374	9.1
61.98826	10.1
68.51989	0.6
69.03472	0.6
71.01374	7.9
71.42484	1.0
72.99314	1.1
73.02952	1.7
78.44370	0.7
78.91894	0.7
80.02689	2.1
81.03467	3.6
83.01400	1.7
83.05011	7.0
84.02161	1.8
85.02950	2.6
87.00876	1.7
88.98734	0.7
89.02423	4.8
93.03455	2.6
95.01366	1.2
95.05031	2.1
96.96009	3.8
97.02948	5.3
97.06611	1.4
99.00847	1.5
101.02429	7.0
107.05019	1.3
109.02968	1.0
109.06578	20.4
110.03716	1.2
110.06936	1.2
111.00871	0.8
111.04519	1.3
113.02440	3.4
116.62133	0.6
119.03506	0.9
121.02972	1.1
121.06585	1.4
123.04504	1.1
125.02404	2.1
125.06099	1.2
125.09708	4.2
129.38638	0.6
135.08170	3.4
136.05304	0.9
137.02444	1.9
139.04013	0.9
142.02744	1.0
145.02919	0.8
149.09767	0.7
151.03996	0.6
151.33655	0.7
161.04567	4.2
161.05782	0.8
161.09666	2.0
163.11267	18.3
164.11600	0.7
165.01959	1.1
165.12848	2.1
171.10251	5.2
175.04002	0.7
177.09213	0.7
179.05655	0.7
179.10651	1.4
181.12302	4.4
185.11824	2.6
187.09735	0.7
189.09129	1.9
191.05562	0.8
191.10732	1.7
192.96446	0.8
197.11812	1.3
199.13295	0.9
201.11369	0.9
207.10237	58.2
208.10564	3.1
209.11798	100.0
210.12140	5.5
210.75925	0.6
217.12369	1.0
225.11295	37.0
226.11697	1.8
227.12851	13.3
228.13222	1.1
235.08203	4.2
235.13376	0.9
243.12395	0.7
247.13327	0.8
249.11224	1.7
250.87622	0.6
253.09224	10.2
254.09663	0.7
263.12793	1.5
269.04419	1.0
284.03363	1.1
299.14902	1.6
372.26810	0.6
373.26010	3.7
375.27469	1.0
399.21646	5.5
407.24405	1.1
417.22751	4.9
418.23010	0.9
423.06824	0.7
435.23618	0.8
443.19357	3.3
461.20282	12.1
462.20468	1.3
509.26291	0.7
519.25366	0.7
611.18988	0.8
625.32385	0.9
635.30499	12.3
636.31244	2.1
653.31671	16.0
654.31757	2.5
671.32446	31.9
672.32477	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	669.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24444	0.2
55.01886	0.4
57.03446	0.7
58.00621	0.3
59.01375	6.6
61.98836	0.9
64.69219	0.2
67.26620	0.2
69.03455	2.2
71.01370	4.3
71.05029	1.0
72.99337	0.5
73.02963	1.1
76.70718	0.2
80.02705	1.1
81.03440	1.3
83.01380	0.6
83.05019	4.7
84.02182	0.9
85.02959	1.1
85.06601	0.4
87.00895	1.0
89.02436	3.0
93.03446	0.5
95.01427	0.4
95.05034	1.1
96.96051	0.4
97.02978	0.4
97.06618	0.4
101.02433	3.9
101.03062	0.3
102.02728	0.3
108.05762	0.3
109.06563	1.2
112.32188	0.3
113.02436	2.3
119.03505	0.9
120.42851	0.2
125.06089	0.3
125.09716	0.4
135.08157	0.5
135.11807	0.3
143.03488	0.4
145.05087	0.7
145.85255	0.3
147.11774	0.3
149.09737	0.4
153.39626	0.3
161.04529	1.8
161.13348	0.4
163.11244	2.8
165.12837	1.9
167.10754	2.7
171.10272	1.7
177.12845	0.6
179.05499	0.6
179.10799	1.2
179.14409	3.7
180.14671	0.3
181.12413	0.3
181.87280	0.2
191.10793	0.6
195.13890	10.3
196.14258	0.7
205.12303	10.6
206.12637	0.6
209.11798	95.4
210.12135	5.1
223.13356	100.0
224.13705	6.6
227.12852	15.3
228.13197	0.8
229.25278	0.3
235.08209	4.6
245.15477	0.3
253.09251	11.0
254.09634	0.6
261.14948	2.0
357.26541	0.3
415.24838	0.5
433.25766	0.5
441.21225	0.7
445.20505	0.8
459.22311	10.8
460.22458	1.2
633.32336	1.0
651.33905	1.3
652.34015	0.3
669.34735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3855
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03446	0.9
59.01369	1.5
61.28853	0.2
61.51262	0.3
61.98822	4.2
71.01369	0.8
73.02947	0.7
83.05036	0.4
85.02956	1.2
85.04211	0.3
88.98792	0.6
89.02445	0.6
93.03446	0.4
93.89275	0.3
96.96000	0.7
98.19844	0.8
99.04503	0.4
101.02424	1.0
108.02164	1.4
109.02934	0.7
111.08125	0.6
113.02483	0.4
113.06084	0.5
117.03441	0.4
123.04497	1.4
125.09720	0.6
135.08107	0.5
136.05310	0.4
137.02409	0.8
137.06023	0.5
137.74200	0.3
139.04015	0.7
145.02940	1.0
149.06056	4.8
150.06848	40.9
151.07248	1.4
152.01132	2.7
157.08676	0.5
161.04547	0.3
161.09705	1.0
162.06807	0.7
163.03983	0.5
163.07648	9.0
164.08420	6.4
165.01901	0.4
165.08839	0.3
167.03465	5.3
168.03766	0.4
169.05072	0.9
169.12163	0.3
171.10242	1.0
175.04036	0.4
176.08395	1.3
177.09196	0.7
178.10010	2.9
179.10753	14.5
180.11220	0.4
193.08723	0.3
209.11664	0.4
212.12381	0.3
229.16080	0.3
241.14407	0.4
263.20166	0.6
277.12869	3.0
278.13052	0.6
279.23364	0.7
281.21234	0.8
309.20599	0.3
325.23746	0.9
327.21701	6.0
328.22131	0.5
355.24765	0.7
357.26324	0.8
371.24234	0.4
373.25903	1.6
428.29404	0.7
430.30981	0.4
443.31494	0.9
445.33728	0.3
446.30316	6.7
447.30597	1.6
460.31778	0.8
461.32690	9.3
462.33179	1.2
488.31482	1.4
489.32187	2.7
492.30817	0.3
506.32413	3.0
507.33200	27.2
508.33459	3.7
669.38452	100.0
670.38879	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15059	0.5
51.66881	0.6
57.03454	1.4
59.01129	0.8
59.01374	8.5
61.98815	2.3
64.30566	0.6
71.01377	6.1
71.04996	0.7
72.99310	0.6
73.02929	1.7
83.01366	0.6
85.02937	2.0
87.00848	2.8
88.98809	0.9
89.02448	4.8
93.03448	1.5
96.96008	3.0
97.06588	1.8
97.53242	0.7
99.04511	1.9
101.02421	4.5
109.06606	0.9
111.04517	0.7
111.08149	1.1
113.02416	3.1
113.06075	0.7
117.76649	0.6
119.03450	0.9
121.06560	0.7
123.04500	2.3
123.08127	1.5
125.02440	3.8
125.06085	1.4
135.04471	1.2
136.04297	1.3
136.05284	19.9
137.02428	0.9
137.05884	0.8
138.06876	0.8
141.09145	1.2
145.02951	0.9
149.06068	11.1
150.06824	2.0
151.04016	0.8
151.07578	1.8
157.08682	0.9
160.01579	0.7
161.04582	0.8
162.06831	2.5
163.07555	0.9
165.05574	0.8
170.09586	0.6
170.22214	0.6
176.08409	0.7
179.05653	0.7
183.13834	2.1
190.09886	1.0
191.05623	1.3
191.10754	15.8
192.11172	0.8
203.10738	0.8
205.08601	1.4
205.12233	0.9
209.11801	1.4
211.13358	24.3
212.13725	1.4
229.10751	2.0
233.15364	1.1
235.08112	2.1
253.09319	0.8
273.18619	1.1
285.04001	0.6
285.17145	0.6
305.08710	1.1
315.18158	3.4
355.21179	1.0
359.22479	0.6
371.24402	0.9
373.25974	0.8
391.26834	1.6
397.13440	15.6
398.13986	1.6
407.25998	1.2
415.14688	4.7
416.14716	0.7
425.26077	0.7
427.27985	0.7
443.27896	1.6
461.29071	1.1
488.27539	0.7
489.28693	5.7
491.29977	0.8
506.28854	0.9
507.29514	16.0
508.29889	1.8
609.27783	3.2
610.27301	1.1
669.34857	100.0
670.35040	19.4
670.46454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
61.98822	13.3
69.03448	0.8
71.01372	3.1
71.63089	0.7
73.02927	1.1
81.03457	1.4
83.01412	0.6
85.02962	3.0
86.24886	0.4
87.04536	0.6
88.98810	4.2
89.02457	1.8
93.03445	2.4
95.01385	1.9
96.95998	2.8
97.57528	0.4
99.00874	0.8
101.02440	1.8
108.02165	52.7
109.02953	31.5
110.03277	1.4
113.02438	1.9
113.27821	0.5
116.92839	0.6
119.03486	0.5
119.04984	0.8
121.02934	1.6
123.00865	1.8
123.04506	2.2
123.08173	0.7
125.02448	1.2
125.09732	1.3
133.02931	0.5
135.04518	0.6
137.02431	2.4
145.02914	1.8
145.36641	0.4
151.04007	1.4
152.01137	59.2
153.01927	16.9
153.05547	1.1
154.02298	0.5
155.10753	0.5
161.02496	0.6
161.04561	0.9
163.03987	2.2
165.01872	1.2
165.05666	0.4
171.10258	3.0
177.01764	0.5
185.11725	0.5
195.02878	0.5
209.11745	0.5
251.11331	1.7
255.02937	1.3
256.03284	0.9
257.03635	0.4
267.10828	0.8
283.02512	0.8
284.03006	1.2
285.04056	2.1
301.03296	0.7
341.23254	2.5
342.23535	0.5
342.80270	0.4
353.23309	1.3
355.24936	0.6
359.28226	1.1
371.19733	1.0
371.24335	17.2
372.24692	1.7
373.25876	1.6
375.27496	2.8
447.09216	0.5
490.10037	0.6
510.76276	0.5
592.15448	0.5
669.31091	100.0
670.31488	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	669.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.2
58.00602	1.1
59.01378	38.7
71.01372	16.4
73.02942	3.1
75.00874	1.0
81.03439	1.4
83.01382	3.2
85.02944	3.9
87.00870	5.5
89.02439	17.8
93.03454	15.0
95.05088	0.9
96.96005	1.9
98.20743	2.1
99.00887	2.1
101.02431	7.4
107.05019	11.2
108.43674	1.1
113.02425	3.0
115.00345	9.4
117.01942	12.0
119.03490	3.1
119.05025	37.5
120.05309	1.5
121.06609	1.9
125.02438	69.7
126.02766	2.5
129.01924	1.5
133.02945	19.0
135.04482	5.4
147.02974	2.1
147.04489	3.0
147.08147	1.0
149.02429	8.1
149.06075	7.5
151.04053	1.5
161.04588	1.2
163.03995	60.7
163.10011	1.6
163.11278	18.8
164.04312	2.0
165.05557	2.3
167.03525	1.0
171.73178	1.1
175.02446	10.6
177.05531	4.7
181.05064	17.6
182.05380	1.1
191.05562	1.6
193.05048	1.2
198.12415	1.2
221.04527	40.7
222.04843	2.7
225.04034	4.3
233.04619	1.3
237.07700	4.6
263.05627	1.3
281.06635	14.9
287.07660	9.4
296.16373	1.2
310.45776	0.8
343.17560	1.1
372.99228	1.0
376.07169	1.0
387.09448	6.8
387.16571	100.0
388.16977	8.9
499.31586	1.0
514.01379	1.0
604.54449	1.0
626.43939	1.1
666.76868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52143	1.7
59.01381	9.2
60.99302	1.8
61.98825	53.8
71.01366	10.2
71.63066	2.0
71.63416	1.9
72.99300	2.1
73.02938	4.2
75.00893	2.0
83.01353	2.1
85.02949	3.7
88.98800	15.5
89.02438	4.6
93.03428	2.2
96.95999	21.0
101.02441	6.7
104.21583	1.6
109.02953	9.9
110.60103	2.0
111.04513	2.0
113.02428	4.7
115.78500	2.0
117.03468	13.5
119.03507	2.5
119.05019	9.1
121.02940	5.1
123.04510	2.3
125.02415	5.8
133.02945	5.2
135.04520	4.0
137.02496	3.5
145.02940	51.4
146.03281	4.9
147.04535	4.0
149.02376	2.5
151.07585	1.9
152.01120	2.0
161.02437	14.3
161.04533	12.2
163.03983	12.7
167.03494	4.3
171.10184	3.1
191.03470	2.4
227.12822	1.9
265.12909	5.8
269.04715	2.0
277.12875	100.0
278.13318	4.9
284.03271	2.7
285.04056	5.3
287.16812	1.8
313.13013	2.7
327.12857	2.0
341.23541	2.5
353.23233	15.5
355.24686	2.4
359.27972	7.9
371.24344	49.1
372.24307	4.3
375.27133	3.4
415.32007	4.3
505.35577	3.7
615.10193	2.1
622.80811	2.0
629.34949	2.3
631.36865	8.2
667.35779	93.3
668.35803	17.1
682.68469	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	667.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83641	2.0
50.84426	1.9
59.01377	18.4
60.99313	2.2
61.98824	66.2
62.83284	2.4
64.08588	2.1
69.95048	10.2
71.01376	13.0
71.01701	2.3
73.02930	4.5
83.01337	2.5
85.02959	4.7
88.98808	17.9
89.02466	4.5
93.03448	2.7
93.85892	2.1
96.96003	29.0
101.02436	9.8
103.00334	3.0
108.02167	4.7
109.02926	9.8
113.02406	3.9
116.92741	2.1
117.03448	16.5
119.05030	11.7
121.02951	5.9
123.04511	4.7
125.02457	4.8
133.02948	7.1
135.04501	7.0
135.37981	2.2
137.02435	5.3
145.02930	53.7
146.03275	5.1
147.04506	6.8
149.02434	4.2
153.45502	2.7
155.10764	2.4
161.02438	16.9
161.04564	11.6
163.03984	13.7
164.04352	2.8
167.03476	4.2
177.01932	2.8
256.79007	2.3
265.12857	8.0
277.12894	86.7
278.13275	3.5
282.35828	2.6
285.04080	3.4
313.13028	5.4
353.23349	15.9
354.23618	2.7
359.27841	12.3
371.24255	49.1
372.24744	5.2
375.27551	3.7
415.32437	2.8
505.35730	2.4
629.35815	3.0
631.36560	8.9
667.35944	100.0
668.35663	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	667.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01374	40.7
66.02858	0.5
69.61169	4.0
72.99295	4.9
76.68237	0.6
81.03470	0.8
83.01428	0.8
84.04207	0.6
96.95998	2.0
103.05536	1.8
107.01402	0.6
119.05022	6.3
120.99648	1.2
125.02434	38.2
125.06081	5.2
126.02779	0.7
147.04506	100.0
148.04855	5.2
149.02417	2.0
165.05547	88.1
166.05951	3.4
167.03426	0.7
195.06584	0.8
207.06595	64.4
208.06935	4.2
214.80081	0.7
242.54018	0.7
253.07140	33.7
254.07413	0.9
277.07269	0.7
307.61984	0.6
343.03455	0.7
415.12360	11.4
416.12863	1.5
667.21399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01667	0.4
57.00967	0.4
63.99730	0.4
65.03938	1.7
69.03471	0.5
71.01357	0.6
76.32960	0.6
79.66167	0.4
81.03452	14.2
83.05018	62.6
84.05354	1.5
85.02941	0.7
85.73528	0.5
93.03448	25.4
94.03765	1.1
94.43258	0.4
98.40627	0.5
109.02942	41.4
110.03278	1.0
111.04510	35.4
112.04830	1.3
113.02463	0.9
117.03468	0.7
121.02943	100.0
122.03286	3.7
123.04512	20.4
124.04884	0.9
127.04004	2.0
129.05544	0.8
133.02930	0.8
137.02429	51.5
138.02769	1.3
145.02925	2.9
145.03937	0.5
155.03485	29.1
156.03804	1.0
157.53343	0.4
167.55588	0.5
172.56331	0.6
173.04501	2.6
371.24487	0.5
387.10992	0.9
405.11932	7.9
406.12140	0.6
509.14429	6.6
510.14941	0.6
527.15582	8.8
528.15942	1.6
543.15045	9.3
544.15350	1.3
553.13428	0.6
579.20020	0.5
665.18665	8.5
665.35883	1.9
666.19360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.3
61.98822	21.8
65.03975	1.9
66.68112	1.4
68.82999	1.5
71.01366	4.4
71.63168	1.3
72.86287	1.4
74.84262	1.1
81.03454	13.7
83.05019	58.5
85.46889	1.2
89.02423	1.6
93.03458	26.3
96.95989	4.9
101.02451	2.5
109.02947	39.5
111.04512	35.1
113.02455	1.6
121.02947	100.0
122.03275	3.2
123.04517	23.2
125.02441	2.3
127.03971	3.6
137.02435	54.9
138.02725	2.6
145.02939	5.9
147.04539	1.4
155.03490	30.7
161.04517	2.0
163.03986	1.4
167.03511	1.5
173.04474	3.0
187.07523	1.6
281.06381	1.5
307.08081	4.0
357.26373	5.5
373.25797	2.9
405.11832	7.2
441.49811	1.7
443.75565	1.3
477.98260	1.4
501.53183	1.5
509.14362	4.8
527.15540	6.3
528.15680	1.4
543.15118	8.6
665.18829	8.0
665.36206	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.4
57.03428	2.5
58.00574	1.0
59.01089	0.8
59.01375	15.1
61.85884	0.6
61.98821	13.0
69.41478	0.9
69.41881	3.5
71.01379	24.0
72.99299	1.2
73.02943	9.5
83.01382	5.1
85.02943	13.5
86.00094	1.9
87.00868	1.3
88.98805	1.1
89.02439	2.2
95.01379	2.1
96.95998	3.1
97.02927	0.6
99.00864	2.6
101.02433	14.7
108.02155	0.5
109.02948	0.9
113.02441	6.8
117.03416	0.6
125.02387	0.6
137.02475	0.8
145.02908	1.7
161.04515	1.3
163.04005	0.7
175.03891	0.7
209.11836	1.4
215.31511	0.5
217.01276	0.7
223.65590	0.6
235.08348	0.5
357.26407	1.8
371.24051	0.7
373.25818	1.4
387.32590	1.6
397.31403	0.6
399.28943	1.9
413.30515	1.8
415.26462	1.0
415.32077	18.9
416.32498	2.6
457.29584	5.0
458.29254	0.6
459.31119	15.7
460.31491	2.1
510.49106	0.6
561.33838	0.6
577.37219	2.4
603.20129	0.9
605.32800	1.2
619.33911	0.8
621.36316	25.0
622.36865	3.6
665.35358	100.0
666.35785	18.4
683.36377	47.4
684.36670	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	665.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76350	0.7
59.01091	1.1
59.01372	17.6
69.66517	3.8
85.02943	0.9
85.06593	6.1
89.02454	1.0
96.95996	3.1
97.21423	0.7
98.19875	1.5
109.02910	1.2
113.06065	6.5
125.02428	1.7
131.07132	46.0
132.07445	1.1
133.02933	1.9
136.30028	0.7
137.02419	1.2
149.02437	1.2
150.03186	2.1
150.61017	0.8
151.00336	2.4
151.03915	1.0
163.03857	0.7
165.01942	5.5
165.05530	2.9
173.08183	22.6
174.08522	1.4
175.03989	1.3
177.01926	1.2
180.04292	4.6
195.06607	12.5
199.04039	1.3
217.05045	0.7
225.07701	0.9
227.03488	0.7
243.08601	0.7
256.03760	2.7
284.03229	40.2
285.04010	88.4
286.04388	6.8
289.07065	0.8
327.04749	0.9
330.53870	0.8
395.74689	0.8
447.09271	100.0
448.09628	9.4
471.57800	0.6
483.29034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03442	2.5
59.01368	5.0
68.99808	0.5
69.03455	4.1
69.82861	1.3
69.83257	0.9
71.01376	11.2
72.99300	0.5
73.02938	12.8
73.38268	0.4
76.56687	0.5
81.03477	0.6
83.01379	1.4
85.02943	26.4
87.00867	100.0
88.01196	1.3
89.02429	0.7
93.03413	0.5
95.01378	4.3
96.96009	1.0
97.02941	21.1
98.03308	0.6
99.00849	0.5
101.02423	0.6
103.04000	9.7
111.00880	1.0
113.02436	6.9
115.00372	10.0
115.03973	1.3
125.02435	0.8
129.01942	2.1
141.01929	2.0
152.14107	0.5
157.01411	8.6
159.90756	0.5
175.02454	72.1
176.02766	1.8
179.42546	0.4
217.03502	18.4
237.40088	0.5
260.05273	0.6
303.07184	42.6
304.07510	2.0
321.08212	33.5
322.08527	2.3
444.42206	0.5
609.58075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28523	0.2
57.03442	1.4
58.00588	1.0
58.81041	0.3
59.01370	3.1
61.98821	3.1
69.03440	0.3
71.01379	4.3
71.04995	0.3
71.62704	0.4
72.02071	0.2
72.54996	0.2
72.99296	0.4
73.02952	0.5
75.00864	0.3
78.95898	0.9
79.95732	3.9
82.95396	0.3
83.01392	0.3
85.02936	0.5
87.04519	0.7
88.04107	0.2
89.02441	0.5
93.03430	0.3
95.05054	0.3
96.96002	100.0
97.02917	0.3
97.95942	0.4
98.95599	0.5
101.02435	0.9
109.02926	0.7
113.02444	0.5
116.92822	0.3
117.03450	0.6
119.05008	0.6
125.02435	0.5
125.09689	0.8
127.04024	0.2
127.11346	0.4
137.02444	0.4
137.09702	0.3
141.01907	0.3
145.02960	2.3
151.00372	0.7
152.01147	0.3
155.10802	0.2
159.98424	0.2
163.03984	0.4
167.03517	0.3
169.12289	0.6
171.10268	0.3
178.99821	1.6
197.15425	0.6
209.11722	0.2
222.10532	0.2
267.23199	0.5
269.04401	0.4
279.23279	0.5
295.22803	1.0
297.24377	1.1
307.22690	0.3
309.24399	0.6
311.26016	1.0
313.23804	4.2
314.24026	0.4
325.23746	0.7
325.27383	0.5
327.25421	2.3
329.23218	0.6
329.26935	0.9
330.23682	0.6
331.23923	0.4
339.25235	0.3
341.26913	7.7
342.27203	0.8
343.28549	0.4
355.24594	0.3
355.28522	0.5
357.26450	1.0
359.27975	19.8
360.28369	1.7
371.28021	0.8
373.29529	13.2
374.29843	1.5
401.29041	2.6
402.29391	0.4
413.29889	0.3
415.13986	0.5
563.28705	0.5
568.51038	0.2
601.24054	0.3
661.37976	48.6
662.38336	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	661.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.7
58.00574	1.9
59.01379	7.0
61.98827	23.1
64.69615	0.8
68.99550	1.1
70.47836	2.3
70.48233	1.5
71.01374	11.6
73.02933	1.7
78.88130	0.9
78.95874	1.5
79.95726	2.6
82.95422	1.7
83.01369	1.3
83.05018	1.2
85.02952	2.1
89.02427	2.8
93.03439	1.2
95.05058	1.2
96.96002	71.8
97.02911	1.0
98.95580	2.4
101.02448	4.5
106.37133	0.9
107.01371	1.2
109.02959	4.6
113.02433	1.2
117.03466	5.3
119.03544	1.0
119.05016	3.5
121.02988	1.6
125.02422	4.6
127.04024	1.3
133.02980	1.1
135.04562	1.0
137.09673	1.1
145.02940	28.1
146.03218	1.3
151.00375	2.4
155.10786	1.1
161.02411	1.6
161.04549	1.2
163.03947	3.1
165.05527	1.1
177.01877	1.4
178.99834	4.3
181.12321	1.2
191.05670	1.0
197.11832	2.6
209.11874	2.1
279.23401	1.4
297.24091	1.5
309.24268	2.0
311.25726	2.3
313.23801	6.2
319.03830	0.9
325.27527	1.1
327.25363	3.2
329.26929	1.8
339.25473	1.6
341.26907	18.4
342.27408	1.7
355.28809	1.2
356.34869	0.9
357.26431	2.7
359.27963	42.1
360.28409	3.1
371.24261	1.1
373.26169	1.4
373.29578	26.5
374.29849	1.9
401.29276	4.7
402.96127	0.9
415.13907	14.3
416.14285	1.9
617.38177	1.2
661.38025	100.0
662.38269	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01377	1.1
61.98824	1.9
65.00349	0.2
68.94615	0.2
71.01379	1.2
71.62814	0.2
72.99332	0.2
73.02953	0.4
76.22588	0.2
78.31368	0.2
78.95892	1.5
79.95262	0.2
79.95737	3.9
82.95408	0.5
83.01391	0.2
83.05003	0.2
85.01956	0.2
85.02966	0.4
89.02412	0.4
93.03449	0.2
96.96005	100.0
97.02959	0.2
97.95955	0.3
101.02451	0.4
109.02935	0.6
112.98554	0.2
113.02403	0.4
117.03469	0.5
119.05034	0.3
125.02418	0.7
135.04474	0.3
137.02440	0.2
137.09769	0.2
145.02965	1.5
149.02551	0.2
151.00378	0.5
161.04688	0.2
161.06111	0.2
163.03954	0.3
165.01849	0.2
177.01956	0.3
178.99893	0.9
185.12042	0.2
193.01436	0.2
197.11792	0.9
199.13390	0.2
205.05032	0.2
209.11775	0.5
215.12915	0.2
230.95796	0.2
231.12560	0.2
295.22781	0.3
313.23849	0.5
327.25723	0.3
329.26834	0.3
341.26938	1.5
357.26346	0.5
359.28012	2.6
360.28714	0.2
371.24442	0.3
373.25876	0.3
373.29630	1.6
401.29059	0.3
487.37241	0.2
563.28473	1.0
564.28644	0.2
625.32159	0.3
661.38110	6.9
662.38770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
59.01374	1.2
61.98826	1.5
63.12928	0.2
69.67787	0.2
71.01389	1.1
71.18359	0.4
73.02956	0.4
78.95894	1.4
79.95729	3.5
82.95405	0.7
83.01389	0.3
83.05019	0.5
85.02947	0.5
87.83835	0.2
89.02418	0.3
93.03405	0.2
95.01377	0.2
96.96001	100.0
97.95959	0.5
99.00873	0.2
101.02433	0.7
101.44801	0.2
109.02940	0.3
113.02446	0.3
115.92672	0.2
117.03455	0.3
118.67216	0.2
119.03595	0.2
119.05021	0.4
121.02943	0.3
125.02416	0.6
127.03976	1.5
137.02399	0.3
139.07611	0.4
139.59590	0.2
145.02966	0.8
150.05531	0.2
161.04562	0.2
163.03960	0.3
165.05528	0.5
167.03561	0.2
171.10287	0.5
178.99777	0.2
197.11816	0.7
207.20757	0.2
209.11829	1.1
222.35571	0.2
227.12825	0.3
369.22940	0.3
373.25925	0.4
387.23746	0.3
533.33234	0.5
563.28223	0.4
613.39746	0.2
617.38470	1.0
661.27563	0.3
661.38000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98820	1.3
71.01366	0.4
71.62867	0.3
78.39731	0.2
78.95903	0.5
79.95731	3.3
80.96477	0.2
84.62180	0.2
85.02966	0.3
89.02469	0.2
96.96000	100.0
97.95947	0.4
98.95603	0.8
101.02438	0.3
109.02930	1.5
113.02506	0.2
117.03468	0.4
119.05048	0.3
121.02944	0.2
125.02425	0.4
134.06190	0.2
135.04509	0.4
137.02417	0.3
145.02931	1.5
151.00354	0.6
161.04482	0.3
163.04012	0.3
167.03421	0.3
191.05501	0.2
197.11728	0.2
209.11826	0.2
217.01382	0.2
269.10263	0.4
287.05481	0.3
355.24911	0.6
357.26453	0.6
359.27899	0.2
364.47867	0.2
371.24426	0.7
373.25995	0.4
404.10013	0.2
478.30389	0.2
563.28943	0.5
601.23444	0.5
625.35413	0.4
661.32660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01377	1.1
61.98824	1.9
65.00349	0.2
68.94615	0.2
71.01379	1.2
71.62814	0.2
72.99332	0.2
73.02953	0.4
76.22588	0.2
78.31368	0.2
78.95892	1.5
79.95262	0.2
79.95737	3.9
82.95408	0.5
83.01391	0.2
83.05003	0.2
85.01956	0.2
85.02966	0.4
89.02412	0.4
93.03449	0.2
96.96005	100.0
97.02959	0.2
97.95955	0.3
101.02451	0.4
109.02935	0.6
112.98554	0.2
113.02403	0.4
117.03469	0.5
119.05034	0.3
125.02418	0.7
135.04474	0.3
137.02440	0.2
137.09769	0.2
145.02965	1.5
149.02551	0.2
151.00378	0.5
161.04688	0.2
161.06111	0.2
163.03954	0.3
165.01849	0.2
177.01956	0.3
178.99893	0.9
185.12042	0.2
193.01436	0.2
197.11792	0.9
199.13390	0.2
205.05032	0.2
209.11775	0.5
215.12915	0.2
230.95796	0.2
231.12560	0.2
295.22781	0.3
313.23849	0.5
327.25723	0.3
329.26834	0.3
341.26938	1.5
357.26346	0.5
359.28012	2.6
360.28714	0.2
371.24442	0.3
373.25876	0.3
373.29630	1.6
401.29059	0.3
487.37241	0.2
563.28473	1.0
564.28644	0.2
625.32159	0.3
661.38110	6.9
662.38770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	17.0
61.43712	5.4
61.98817	15.0
71.01373	14.5
71.10024	8.4
73.02930	5.4
83.05011	27.7
89.02439	9.2
89.64509	4.8
93.03472	11.8
96.96021	15.9
97.06590	9.9
101.02374	8.8
109.02956	19.8
111.04519	58.6
121.02949	100.0
123.04537	15.4
137.02432	27.0
144.40530	5.4
155.03514	28.0
171.10330	9.0
224.71010	5.2
230.61147	6.0
235.08246	7.6
263.20132	20.6
397.13327	26.1
405.11774	18.0
415.14337	11.0
439.70084	5.6
527.15503	62.7
528.16327	10.7
588.07263	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	661.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
58.00583	0.8
58.91452	0.5
59.01377	28.6
60.01712	0.7
65.43237	0.4
70.09734	1.9
71.01379	17.5
72.99281	0.9
73.02930	0.7
75.40706	0.4
81.30072	0.4
83.01411	0.7
85.02937	3.3
85.96628	0.5
87.00859	0.9
88.77399	0.4
89.02438	19.7
95.01400	0.6
97.76487	0.4
99.00850	0.4
101.02441	12.0
101.59056	0.4
110.24979	0.4
113.02434	8.7
119.03498	9.1
120.99638	0.6
131.03476	0.6
143.03506	0.6
152.01147	0.6
157.05052	1.0
179.05576	0.8
315.07220	1.1
316.07739	0.5
319.10309	100.0
320.10657	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	661.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32985	0.4
55.01857	0.9
57.03434	0.5
58.00588	1.1
59.01375	24.8
66.70471	0.3
69.30711	2.0
69.31123	1.1
71.01376	15.2
71.05007	1.9
72.99298	0.9
73.02928	0.6
78.95892	0.9
83.01382	1.5
85.02945	4.3
87.00887	0.6
89.02436	18.1
95.01372	1.3
95.05002	0.6
96.96001	1.1
97.02946	3.1
101.02436	12.7
106.72433	0.4
108.02162	13.0
109.02973	4.0
111.20401	0.4
113.02431	8.0
119.03495	9.4
123.00891	0.6
131.03439	0.4
139.03995	27.9
140.04353	0.8
143.03491	0.5
149.04544	0.5
152.01128	10.7
153.01936	4.3
154.65143	0.4
161.04544	0.5
163.04033	0.9
179.05695	0.5
192.20302	0.4
197.04492	0.9
213.05153	0.6
315.07181	22.6
316.07291	2.0
317.07755	0.6
319.10291	100.0
320.10620	6.2
320.14005	0.7
345.08224	14.0
346.08524	1.1
538.71478	0.4
540.05121	0.5
661.19373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01372	30.6
61.55731	0.2
62.35083	0.3
64.96306	0.2
65.56593	0.2
70.46694	0.7
71.01360	0.3
79.95733	0.2
83.01394	0.6
83.05009	0.3
85.06583	11.8
86.06874	0.3
96.36214	0.2
96.95998	0.8
106.19617	0.3
108.02134	0.5
109.02927	0.7
111.04517	0.5
113.06073	12.5
114.06372	0.4
115.25986	0.3
117.80021	0.3
119.05006	0.3
124.01604	0.6
125.02428	6.6
127.33440	0.3
131.07126	100.0
132.07458	3.6
137.02429	4.8
139.03946	0.3
145.50665	0.3
150.03221	0.9
151.03979	2.2
155.25310	0.3
159.78537	0.3
161.02455	2.3
165.05684	0.3
167.03427	0.6
173.08163	49.0
174.08467	2.1
177.01930	0.5
191.05646	0.4
199.95779	0.2
204.48994	0.3
217.07069	0.5
269.04559	0.8
287.05627	1.3
288.06302	1.1
289.07120	1.1
301.10782	0.4
413.90329	0.3
463.15265	0.3
532.05054	0.3
661.26953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03429	2.0
59.01378	7.2
61.73912	0.6
61.98826	8.3
69.50336	4.3
71.01366	7.8
73.02918	2.2
79.95718	2.0
80.02656	1.2
80.96494	1.8
81.03448	1.4
83.01390	1.1
83.05019	5.0
85.02927	2.7
87.00854	1.3
89.02428	4.6
93.03416	1.6
94.92497	1.7
94.98101	2.7
95.01369	0.6
95.04997	2.2
96.96004	16.3
97.06589	4.7
97.25732	0.6
101.02436	5.8
113.02438	3.6
119.02223	0.5
119.03466	1.6
121.02939	1.1
123.04478	0.6
125.02450	0.9
125.87237	0.6
135.04495	1.2
137.02417	1.7
138.01947	1.7
143.03514	0.9
145.02905	1.4
149.09744	0.9
151.11279	16.8
161.04517	2.7
163.11252	3.1
165.12851	2.8
169.12323	74.0
170.12656	3.5
171.10156	0.9
191.10799	0.8
195.10194	2.5
197.11745	1.3
209.11809	57.1
210.12186	3.7
211.13367	1.7
213.11296	12.8
227.12851	6.3
228.13248	0.6
235.08144	1.7
253.09294	4.6
255.02962	1.1
269.04483	1.2
283.02414	1.3
284.26407	0.7
285.03976	1.6
339.25482	1.6
357.26343	2.8
371.24121	1.2
385.18979	0.6
431.19177	3.2
449.20197	7.2
471.15311	2.5
551.22803	0.7
586.42603	0.7
627.23810	1.1
641.31720	2.7
659.32770	100.0
660.33313	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	659.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.00579	2.5
59.01370	10.0
60.34847	0.8
61.98819	10.1
68.99563	4.9
69.47434	5.8
71.01381	14.0
71.04996	0.8
72.99293	1.4
73.02927	1.7
75.00863	5.4
78.23473	0.7
79.95717	1.8
80.96509	2.1
81.50203	0.7
83.05007	1.1
85.02945	1.3
87.04512	1.7
89.02437	2.2
93.03427	1.5
95.05038	1.0
96.95999	24.7
97.02963	1.2
97.06595	0.9
101.02425	3.2
112.98563	3.7
113.02419	1.3
116.92795	1.0
121.02958	0.9
121.10226	1.5
123.04488	1.1
125.02409	1.5
125.09715	3.8
134.06059	0.8
145.02956	2.2
149.13336	2.2
151.11270	0.8
155.10770	2.2
161.04541	1.6
169.12334	1.9
171.10237	2.3
177.01953	0.9
183.10266	1.2
183.13850	1.6
185.11775	2.6
199.13429	2.1
209.11824	3.4
211.13324	2.8
213.14978	6.1
225.11359	0.8
227.12943	1.5
309.24442	4.1
311.25906	3.9
321.24451	1.1
325.27438	0.8
327.21750	1.5
327.25281	7.0
339.25345	34.0
340.25726	2.7
341.26987	1.3
355.24640	1.5
357.26419	38.7
358.26743	3.8
371.28113	6.8
399.27411	3.4
471.15277	3.0
543.26056	1.4
615.37994	0.9
627.24280	0.8
659.36383	100.0
660.36774	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23150	0.6
57.68347	0.6
59.01381	6.8
61.98827	51.3
63.96238	1.4
66.50582	0.5
66.87612	0.5
71.01378	4.7
71.46415	1.1
73.02939	1.3
78.95911	3.2
78.98582	5.6
79.95731	7.0
80.96512	50.3
85.02944	2.5
87.00867	2.4
94.98078	11.1
95.64873	0.6
96.96008	1.5
99.00875	0.6
101.02402	1.6
106.98074	1.9
113.02441	0.5
116.92864	0.8
122.97558	3.0
125.02430	3.4
134.97617	4.3
136.99109	1.3
141.01707	5.3
148.99129	4.4
152.98563	3.9
152.99605	1.5
162.95613	0.9
164.98634	9.6
206.99686	2.4
209.11797	0.7
225.00729	14.6
277.21738	1.9
299.04401	12.3
367.13953	0.7
381.03479	1.0
382.86346	0.6
577.26807	100.0
578.27203	14.5
599.24469	1.2
601.42896	0.7
659.26129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18079	6.4
57.16299	8.0
59.01374	25.0
61.98833	39.6
68.00587	7.0
70.82632	16.3
71.01377	12.2
78.95902	24.6
80.96514	8.5
85.97042	6.8
96.96006	10.7
105.87115	8.1
109.02981	13.0
125.02419	9.0
134.69516	7.0
152.99547	20.1
209.11771	17.5
211.98000	7.9
273.04749	7.7
277.21854	17.9
295.22537	11.1
357.07861	8.0
363.11987	9.9
387.25400	14.2
405.26163	9.3
577.27106	23.2
623.34375	100.0
624.34332	12.5
659.34253	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	659.015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48934	0.5
59.01373	68.7
60.01709	0.7
69.63070	0.5
69.79389	2.1
69.79808	0.9
90.97135	0.6
98.19804	0.5
103.32861	0.4
118.96641	0.5
132.98207	1.0
134.97069	0.8
149.71349	0.5
150.94785	1.6
157.03561	1.1
159.01489	0.9
174.99223	23.9
176.98120	0.9
192.95825	13.8
196.14275	0.5
201.02524	16.6
202.02713	1.5
217.00270	100.0
218.00668	2.7
218.97980	0.5
276.98056	0.7
331.79449	0.5
343.03653	2.0
359.01422	33.4
360.01654	3.5
374.99155	53.5
375.99561	2.2
460.68042	0.5
501.02835	0.7
517.00385	12.0
518.00684	0.9
663.33429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58654	0.8
59.01359	1.2
61.98812	1.6
69.37722	5.9
71.01364	1.2
77.27144	0.6
84.96902	0.8
89.02467	0.7
96.96006	4.9
107.04993	1.1
108.02164	2.7
109.02917	1.3
109.87530	0.6
110.99438	0.6
112.15156	0.7
118.16363	0.7
120.99627	1.2
124.01724	0.8
125.02433	1.6
147.06323	0.6
151.00320	3.3
152.01088	2.4
153.01932	0.9
165.01875	0.9
165.88037	0.8
176.04449	0.8
177.01941	0.8
178.99867	1.0
183.04475	0.9
191.05652	0.7
199.03967	1.8
227.03491	3.2
242.02231	1.8
243.02933	17.2
244.03293	1.8
254.02165	0.8
255.02927	9.5
257.04462	2.2
269.04303	0.8
270.01617	2.7
271.02435	30.6
272.03055	3.4
285.03961	5.4
286.04663	0.9
287.05341	2.0
289.07074	1.0
299.01953	29.7
300.02701	23.3
301.03104	2.2
314.04303	33.5
315.05048	66.5
316.05325	5.2
329.11292	1.0
365.25247	0.7
473.57269	0.8
497.16428	1.5
623.16077	100.0
624.16431	14.9
659.22803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30301	0.5
57.03456	1.2
59.01376	3.6
61.98823	14.8
62.28408	0.5
65.00298	0.8
71.01370	2.1
71.04970	0.6
71.63351	0.5
72.99321	0.7
78.91872	1.8
79.95730	1.3
83.01366	1.0
83.05033	0.5
85.02937	1.9
87.00878	0.6
87.64957	0.5
89.02434	1.6
93.03436	2.0
96.96003	18.6
101.02428	1.6
105.72530	0.5
107.01373	1.3
109.02940	0.9
111.04476	0.8
111.08208	0.6
113.02452	1.1
119.04987	0.6
120.99596	0.8
121.02954	1.3
121.06587	1.4
122.03764	0.9
123.04513	1.4
125.02433	4.5
133.02911	0.6
133.52448	0.5
135.04524	8.0
136.05292	33.6
137.02440	7.3
137.05904	1.0
137.09645	0.7
139.03989	1.3
145.02924	4.0
149.06068	9.0
150.06857	9.2
151.00371	6.8
151.07526	0.8
161.02437	2.0
161.04524	0.7
162.06873	1.8
163.03978	1.0
163.07607	1.0
164.08430	4.3
165.05495	0.6
165.09198	20.1
166.09514	0.7
171.10204	0.5
179.07062	0.7
179.10680	0.8
191.05644	0.9
209.11832	8.2
210.12167	0.6
211.13371	5.9
227.12854	1.0
243.06551	1.0
253.09332	0.9
269.04456	0.7
283.23044	0.6
285.04129	0.7
287.05521	1.8
307.08139	1.1
327.25302	0.8
329.23196	5.2
330.23566	0.6
371.24420	0.7
373.26068	1.6
375.27338	1.9
376.41861	0.5
416.29333	1.0
417.28955	0.7
431.31555	1.6
434.30313	4.0
448.31943	0.8
449.10834	0.8
449.32623	15.6
450.33002	2.3
459.20502	0.7
464.61472	0.6
476.31393	1.1
477.31985	3.3
494.32590	2.5
495.15857	0.5
495.26965	0.7
495.33099	31.8
496.33359	3.3
595.14575	7.1
657.38531	100.0
658.38794	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30301	0.5
57.03456	1.2
59.01376	3.6
61.98823	14.8
62.28408	0.5
65.00298	0.8
71.01370	2.1
71.04970	0.6
71.63351	0.5
72.99321	0.7
78.91872	1.8
79.95730	1.3
83.01366	1.0
83.05033	0.5
85.02937	1.9
87.00878	0.6
87.64957	0.5
89.02434	1.6
93.03436	2.0
96.96003	18.6
101.02428	1.6
105.72530	0.5
107.01373	1.3
109.02940	0.9
111.04476	0.8
111.08208	0.6
113.02452	1.1
119.04987	0.6
120.99596	0.8
121.02954	1.3
121.06587	1.4
122.03764	0.9
123.04513	1.4
125.02433	4.5
133.02911	0.6
133.52448	0.5
135.04524	8.0
136.05292	33.6
137.02440	7.3
137.05904	1.0
137.09645	0.7
139.03989	1.3
145.02924	4.0
149.06068	9.0
150.06857	9.2
151.00371	6.8
151.07526	0.8
161.02437	2.0
161.04524	0.7
162.06873	1.8
163.03978	1.0
163.07607	1.0
164.08430	4.3
165.05495	0.6
165.09198	20.1
166.09514	0.7
171.10204	0.5
179.07062	0.7
179.10680	0.8
191.05644	0.9
209.11832	8.2
210.12167	0.6
211.13371	5.9
227.12854	1.0
243.06551	1.0
253.09332	0.9
269.04456	0.7
283.23044	0.6
285.04129	0.7
287.05521	1.8
307.08139	1.1
327.25302	0.8
329.23196	5.2
330.23566	0.6
371.24420	0.7
373.26068	1.6
375.27338	1.9
376.41861	0.5
416.29333	1.0
417.28955	0.7
431.31555	1.6
434.30313	4.0
448.31943	0.8
449.10834	0.8
449.32623	15.6
450.33002	2.3
459.20502	0.7
464.61472	0.6
476.31393	1.1
477.31985	3.3
494.32590	2.5
495.15857	0.5
495.26965	0.7
495.33099	31.8
496.33359	3.3
595.14575	7.1
657.38531	100.0
658.38794	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03438	0.3
58.00578	0.2
59.01376	3.6
61.98822	1.4
69.03435	0.6
71.01373	3.1
71.05009	0.2
71.58491	0.3
73.02938	0.8
80.02671	1.1
81.03452	1.1
83.01373	0.5
83.05019	3.8
84.02151	0.7
84.05321	0.2
84.86393	0.2
85.02939	1.0
87.00867	0.5
89.02438	2.2
93.03439	0.3
95.05016	0.5
96.96015	0.7
96.96590	0.2
97.02945	0.2
101.02434	2.8
109.06563	0.3
112.98563	0.2
113.02438	1.5
119.03504	0.6
124.53598	0.2
125.02396	0.5
125.06078	0.4
125.09717	0.2
135.08127	0.6
139.04056	0.2
143.03520	0.3
145.05104	0.4
147.11772	0.2
155.10738	0.3
161.04527	1.2
163.11279	3.3
164.11534	0.2
165.12825	2.1
167.10764	0.4
167.14412	0.6
171.10255	1.1
172.10516	0.3
179.05569	0.4
181.12375	0.3
183.13879	6.1
184.14171	0.2
191.05623	0.2
191.10710	0.8
193.12317	1.5
199.13335	0.4
209.11809	95.2
210.12158	5.2
211.13362	100.0
212.13705	6.3
212.15781	0.2
227.12857	13.7
227.24287	0.2
228.13214	0.6
235.08194	3.5
249.14943	1.2
251.94739	0.2
253.09247	9.3
254.09607	0.5
385.23468	0.3
403.24741	0.6
421.25504	0.2
429.21320	0.4
445.20840	1.5
446.21191	0.2
447.22327	4.2
448.22653	0.6
495.12021	0.2
534.58563	0.2
621.32922	1.0
622.33405	0.3
639.33643	0.7
657.34808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02090	1.0
57.03418	2.1
58.00571	2.4
59.01379	11.2
61.98825	47.6
65.95744	0.9
68.99550	1.2
70.04518	4.2
71.01378	9.9
71.05015	1.5
72.99281	1.4
75.00853	1.5
80.02644	0.9
81.03445	1.2
83.05006	2.6
85.02953	1.4
87.00871	1.5
87.04498	1.0
89.02416	2.8
93.03405	1.5
95.01321	1.2
95.05003	2.0
96.96002	23.9
97.06562	1.6
98.19918	1.3
101.02425	3.7
108.02158	2.7
109.03673	1.2
113.02422	1.9
116.24135	1.0
117.03443	1.1
119.03475	2.1
119.95264	1.0
121.02939	2.0
123.04517	1.7
123.08167	1.1
125.02445	2.3
125.09707	5.3
135.04526	1.3
136.52298	1.2
137.02425	3.1
138.01965	20.6
138.05568	1.2
139.02275	4.2
140.29396	1.0
143.24052	1.0
145.02985	2.4
153.01930	1.5
153.12688	1.2
155.18884	1.0
157.04956	1.5
161.02383	1.5
161.04443	1.6
163.11259	1.9
171.10187	2.0
183.13870	1.2
199.13295	2.1
209.11806	32.9
210.12216	1.3
211.13379	37.9
212.13737	2.2
227.12885	7.6
235.08096	1.4
253.09319	3.3
255.02850	1.6
269.04498	1.9
285.04041	1.1
285.07376	1.2
300.10080	2.1
307.22791	2.1
309.24310	7.3
321.24286	1.7
325.20377	1.1
325.23627	6.8
331.11804	1.6
333.24274	3.7
337.23782	34.4
338.24207	3.2
339.25381	1.3
355.24829	41.2
356.25122	3.5
369.26358	4.5
397.25809	2.9
418.83203	1.1
447.22104	1.6
619.14105	1.5
639.33423	2.7
657.34778	100.0
658.35181	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	657.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.2
59.01368	2.8
61.70108	0.2
61.98822	1.2
63.37614	0.2
67.12121	0.2
69.03451	0.4
69.28006	1.7
71.01376	2.5
73.02932	0.5
80.02666	0.8
81.03445	0.9
83.01389	0.4
83.05014	3.1
84.02168	0.5
85.02940	0.8
87.00891	0.5
89.02447	1.7
95.05016	0.4
96.96009	1.1
97.02905	0.3
97.06580	0.3
98.19901	0.4
101.02441	3.0
109.06627	0.3
113.02434	1.2
119.03488	0.3
121.02916	0.3
125.02438	0.3
125.06068	0.2
135.08159	0.3
143.03485	0.3
145.05038	0.3
149.83672	0.2
161.04520	0.9
163.11264	2.5
165.12813	1.7
167.10666	0.3
167.14377	0.6
171.10211	0.9
179.05557	0.4
181.12303	0.4
183.13873	5.6
184.14241	0.4
191.10756	0.6
193.12323	1.5
194.60283	0.2
199.13342	0.4
207.69189	0.3
209.11800	65.6
210.12146	3.6
211.13356	100.0
212.13695	6.0
218.44109	0.2
227.12843	10.9
228.13167	0.8
235.08202	3.3
249.14922	1.2
250.12865	0.2
253.09236	8.5
254.09602	0.4
313.26450	0.2
385.23892	0.2
403.24689	0.3
421.26102	0.3
429.20825	0.3
445.20502	1.0
447.22299	5.5
448.22726	0.4
621.33038	1.1
639.34119	0.6
657.35138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01368	8.6
61.98822	93.0
62.98525	1.1
68.99519	0.8
69.03481	0.9
69.49856	5.0
71.01360	6.2
79.95714	0.7
81.03459	2.2
83.01394	1.3
83.05021	5.9
84.02126	0.8
85.02945	4.1
87.43320	0.7
89.02438	4.4
93.03446	11.8
94.03800	2.2
95.01392	2.4
95.05025	0.9
96.95994	9.2
97.02917	0.7
97.06595	0.8
98.20620	1.5
99.00906	0.7
100.68790	0.6
101.02444	4.1
108.02160	43.3
109.02944	29.7
113.02444	3.1
117.03466	2.0
119.03509	1.8
119.04990	1.3
121.02898	1.4
123.00884	1.9
123.04527	3.2
125.02468	2.3
125.09719	0.9
127.04001	1.9
133.02959	0.8
135.04482	1.3
137.02429	20.4
137.06062	0.9
138.02798	3.8
139.02916	1.5
145.02917	3.9
148.23816	0.8
150.06831	1.0
151.00410	1.3
151.03993	1.6
152.01132	38.0
153.01917	17.0
153.05583	2.1
159.04477	0.7
161.02426	1.3
161.04568	2.5
163.04005	1.3
163.11256	3.5
165.12833	2.2
167.14519	0.7
171.10225	2.6
177.01617	0.8
179.05693	0.9
181.12315	0.8
183.13878	4.0
191.10757	1.2
193.12311	1.9
209.11797	100.0
210.12126	11.8
210.13948	1.2
211.13379	76.6
212.13661	4.4
227.12863	11.5
228.13139	1.6
235.08212	3.4
249.14847	1.0
253.09203	10.2
268.03616	0.8
269.04514	15.8
269.07169	1.4
270.04852	4.0
271.05203	1.1
281.12421	0.8
285.04034	2.2
286.04172	1.7
321.50275	0.7
355.24957	1.0
357.26498	2.2
359.27963	13.6
359.32114	1.2
360.28497	1.2
371.24179	1.1
373.25842	0.9
375.27524	1.3
403.25266	1.0
421.25668	0.9
445.20752	1.2
446.18863	0.8
447.22287	3.2
495.36792	1.2
522.29547	0.9
560.90918	0.8
619.14624	7.2
620.14294	2.2
621.15295	2.5
621.31805	1.2
630.38428	0.8
639.33057	2.5
657.34802	88.7
658.35199	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01368	8.6
61.98822	93.0
62.98525	1.1
68.99519	0.8
69.03481	0.9
69.49856	5.0
71.01360	6.2
79.95714	0.7
81.03459	2.2
83.01394	1.3
83.05021	5.9
84.02126	0.8
85.02945	4.1
87.43320	0.7
89.02438	4.4
93.03446	11.8
94.03800	2.2
95.01392	2.4
95.05025	0.9
96.95994	9.2
97.02917	0.7
97.06595	0.8
98.20620	1.5
99.00906	0.7
100.68790	0.6
101.02444	4.1
108.02160	43.3
109.02944	29.7
113.02444	3.1
117.03466	2.0
119.03509	1.8
119.04990	1.3
121.02898	1.4
123.00884	1.9
123.04527	3.2
125.02468	2.3
125.09719	0.9
127.04001	1.9
133.02959	0.8
135.04482	1.3
137.02429	20.4
137.06062	0.9
138.02798	3.8
139.02916	1.5
145.02917	3.9
148.23816	0.8
150.06831	1.0
151.00410	1.3
151.03993	1.6
152.01132	38.0
153.01917	17.0
153.05583	2.1
159.04477	0.7
161.02426	1.3
161.04568	2.5
163.04005	1.3
163.11256	3.5
165.12833	2.2
167.14519	0.7
171.10225	2.6
177.01617	0.8
179.05693	0.9
181.12315	0.8
183.13878	4.0
191.10757	1.2
193.12311	1.9
209.11797	100.0
210.12126	11.8
210.13948	1.2
211.13379	76.6
212.13661	4.4
227.12863	11.5
228.13139	1.6
235.08212	3.4
249.14847	1.0
253.09203	10.2
268.03616	0.8
269.04514	15.8
269.07169	1.4
270.04852	4.0
271.05203	1.1
281.12421	0.8
285.04034	2.2
286.04172	1.7
321.50275	0.7
355.24957	1.0
357.26498	2.2
359.27963	13.6
359.32114	1.2
360.28497	1.2
371.24179	1.1
373.25842	0.9
375.27524	1.3
403.25266	1.0
421.25668	0.9
445.20752	1.2
446.18863	0.8
447.22287	3.2
495.36792	1.2
522.29547	0.9
560.90918	0.8
619.14624	7.2
620.14294	2.2
621.15295	2.5
621.31805	1.2
630.38428	0.8
639.33057	2.5
657.34802	88.7
658.35199	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28874	0.4
60.14716	0.3
69.40821	0.3
70.80383	0.7
71.01387	1.0
73.02921	0.6
80.02105	0.4
81.03435	0.5
85.02945	0.8
93.03442	0.5
95.01376	0.7
101.02436	1.1
107.05103	0.4
108.02167	48.9
109.02966	15.9
113.02459	0.8
121.02943	0.8
123.00865	0.8
123.04486	0.6
133.02937	0.6
133.92917	0.3
151.03964	1.2
152.01141	44.2
153.01939	17.9
154.02277	0.6
163.04012	1.0
165.01877	2.0
168.12505	0.4
211.18098	0.4
225.03859	0.5
315.07193	100.0
316.07550	6.9
330.01434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97396	0.3
55.21435	0.3
59.01366	0.4
61.98822	100.0
69.27842	2.7
88.20515	0.3
89.25674	0.3
96.96011	0.5
98.20634	0.7
108.77083	0.3
122.27578	0.3
125.02444	0.4
125.54001	0.3
176.83217	0.3
209.11760	0.5
211.13367	0.3
548.01306	0.3
656.32214	0.5
657.28656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86138	0.3
54.66097	0.3
59.01365	0.5
61.98825	100.0
69.47302	1.2
69.47722	0.7
74.71675	0.3
78.95898	0.4
94.66433	0.2
96.96071	0.3
119.95905	0.3
209.11819	0.6
211.13480	0.4
218.12181	0.4
230.63918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64994	1.0
57.03181	1.2
57.03442	16.5
61.98803	1.7
63.02404	4.6
65.00316	6.6
68.99805	1.3
69.63875	1.2
69.72883	3.7
69.73296	2.6
83.01376	10.2
93.03461	1.3
95.01364	2.0
98.19909	1.4
107.01392	11.6
109.02912	7.0
111.00794	1.1
118.08435	1.3
121.02928	3.8
123.00871	4.9
124.01656	5.3
125.02431	82.6
126.02748	2.0
134.03705	6.2
135.04488	1.6
137.02419	15.3
138.03133	2.0
139.02261	1.3
139.03979	5.8
141.94470	1.1
147.00806	1.4
149.02356	3.0
149.06088	1.6
151.00362	32.4
151.03932	1.9
152.01125	10.2
153.01932	17.6
155.03474	2.1
159.04471	2.8
160.01634	4.4
161.02359	2.4
163.00388	2.6
163.03922	1.9
164.01044	2.2
165.01920	21.7
166.02548	1.9
167.03503	13.8
169.01427	2.3
173.02350	1.3
175.00261	6.3
175.03975	8.2
176.01103	1.4
177.01923	5.3
177.23456	1.0
178.99847	35.0
179.01436	1.7
179.03352	1.7
183.04501	2.2
185.02467	1.1
187.04018	3.0
189.01933	2.6
190.02678	3.6
191.03513	10.5
192.00633	3.6
193.01392	100.0
193.05011	4.8
194.01715	4.3
201.05423	1.6
204.04208	1.3
205.05020	4.3
209.04405	1.2
211.03951	3.8
213.01956	2.0
213.05426	2.1
213.09174	1.1
213.46559	1.0
214.02658	1.6
214.14272	1.2
215.03485	4.9
217.01331	1.1
219.02847	1.1
227.03474	4.1
229.04964	3.1
231.02899	1.4
231.06664	1.3
232.03717	2.7
233.04453	10.9
234.04768	1.1
235.02579	1.5
239.03458	3.1
247.06079	2.1
255.02954	12.9
256.03583	4.9
257.04565	6.8
273.03973	2.6
274.04630	1.7
275.05588	9.5
283.02457	41.9
284.02936	3.7
291.05234	1.5
294.72531	1.2
300.02591	3.7
301.03540	11.8
302.03757	1.4
319.04614	1.6
337.09271	1.2
437.10785	1.8
463.08801	4.8
481.09665	3.3
503.11972	3.0
513.10278	1.6
529.13519	1.9
531.11310	27.1
532.11694	4.1
535.31750	1.4
595.13971	1.6
613.15686	4.9
629.15198	4.6
639.02777	2.2
639.13409	49.9
640.14117	7.4
657.14520	54.5
658.14948	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	655.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
57.03428	0.1
59.01373	1.7
60.01728	0.1
61.98820	0.5
65.26138	0.1
69.03421	0.1
71.01374	1.8
71.62307	0.1
71.62663	0.2
73.02931	0.5
80.02680	0.3
81.03452	0.4
83.01398	0.3
83.05019	1.6
84.02148	0.3
84.14907	0.1
85.02930	0.4
87.00863	0.5
89.02432	1.1
90.01221	0.1
95.01357	0.2
99.00854	0.1
101.02429	1.9
109.06580	0.4
113.02444	1.0
119.03498	0.3
125.02412	0.3
133.05031	0.2
143.03510	0.2
145.05067	0.4
161.04509	0.9
163.11253	1.3
165.12828	0.9
167.63828	0.1
171.38177	0.1
181.12308	0.5
191.10754	0.3
207.10205	0.8
209.11798	100.0
210.12131	5.6
211.13333	1.4
223.13243	0.1
223.18568	0.2
225.11270	1.2
227.12848	4.8
228.13237	0.2
235.08186	3.9
235.49818	0.1
253.09264	4.3
253.11778	0.3
401.23105	0.2
445.20862	1.2
446.21301	0.2
461.20407	0.2
516.41559	0.1
621.33636	0.1
633.48364	0.2
637.32355	0.5
655.33435	0.6
683.36938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55110	0.6
56.31011	0.5
57.03425	0.5
59.01364	3.8
61.98824	22.8
65.00312	0.5
68.05585	0.4
68.99569	0.5
69.03431	0.6
71.01379	4.4
71.23324	0.6
72.99279	0.8
73.02930	1.2
81.03426	2.2
83.01392	0.8
83.05000	2.0
85.02946	3.9
87.00873	0.7
88.98779	1.5
89.02430	1.4
93.03440	5.7
93.06644	0.5
95.01374	2.1
96.95993	2.9
101.02402	2.2
107.01363	0.6
107.04980	1.4
108.02164	61.4
109.02953	38.0
109.06561	0.7
110.03246	0.7
112.98543	0.6
113.02435	2.5
117.03448	1.1
119.04979	1.5
121.02934	2.8
123.00841	2.2
123.04486	2.6
125.02406	1.7
133.02963	0.5
135.04489	1.8
137.02425	12.6
137.06023	1.7
145.02902	1.8
150.06859	2.4
151.00381	2.6
151.03918	2.1
152.01134	58.1
153.01932	20.3
153.05548	1.8
154.02301	0.5
161.04495	1.5
163.03943	1.9
163.07608	1.0
163.11272	1.1
165.01891	1.0
165.12738	0.6
167.03525	0.7
171.10228	3.5
179.10730	1.6
185.11836	1.4
207.10165	1.4
209.11798	40.3
210.12100	2.8
211.13322	2.0
225.11362	0.6
227.12885	3.2
235.08046	0.8
253.09230	2.2
265.12814	0.6
269.04510	8.4
270.04755	0.8
279.10928	0.6
285.03748	0.9
327.21799	0.8
327.25253	3.6
338.31033	0.5
339.25311	0.8
355.24667	0.7
357.26440	16.9
358.26645	2.0
371.24240	1.4
373.25842	2.2
401.23187	1.2
445.20743	0.8
479.22635	0.5
493.35254	6.0
494.35342	0.7
619.14282	3.2
620.14606	1.0
637.31738	2.9
655.33136	100.0
656.33472	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	655.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91245	0.3
59.01367	2.2
61.98809	0.7
71.01373	1.6
71.63136	0.3
72.62488	0.2
80.02666	0.5
81.03461	0.7
83.01377	0.3
83.05013	2.7
84.02169	0.3
84.19018	0.2
85.02939	0.4
87.00835	0.4
89.02438	1.4
95.05017	0.6
96.95991	0.4
101.02429	1.1
109.06586	0.6
113.02444	1.0
135.08159	0.4
161.04590	0.5
163.11243	2.4
165.12863	1.6
179.05490	0.5
181.12346	0.5
191.10860	0.4
207.10269	0.9
209.11797	100.0
210.12125	5.4
211.13347	1.5
225.11272	0.5
227.12851	7.1
230.10648	0.3
235.08217	1.0
253.09198	4.6
373.22449	0.3
401.22998	0.4
445.20560	0.9
485.72299	0.3
529.85931	0.3
546.36169	0.3
607.73175	0.3
630.33105	0.3
637.32257	0.8
655.33490	1.0
683.58539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23178	0.1
55.01862	0.2
57.03438	0.2
59.01371	2.0
61.98821	3.7
71.01368	1.8
71.63287	0.1
71.63655	0.1
72.99311	0.1
73.02927	0.4
78.95901	0.6
80.02666	0.8
81.03447	1.1
83.01367	0.5
83.05016	4.0
84.02150	0.2
84.86156	0.1
85.02940	0.6
87.00864	0.4
89.02431	1.4
89.79800	0.1
93.03445	2.0
94.21174	0.1
95.01367	0.2
95.05005	0.6
97.02945	0.3
97.06574	0.2
99.00823	0.2
101.02432	1.4
104.69980	0.1
107.01333	0.2
107.08651	0.1
109.02943	0.2
109.06578	0.4
111.08131	0.2
112.75932	0.1
112.77998	0.1
113.02431	0.9
114.74776	0.1
119.03471	0.3
121.02950	0.3
123.08159	0.3
125.02413	0.3
125.06074	0.5
125.09719	0.6
126.90395	2.1
127.00313	0.3
127.03992	0.4
128.03523	0.4
131.03432	0.1
133.02948	0.3
135.04530	0.3
135.08157	0.5
136.05305	0.9
137.02432	4.5
143.03519	0.2
145.05042	0.2
149.02460	0.1
149.06082	0.3
149.09708	0.2
150.06831	0.4
151.00333	0.6
152.99590	0.3
153.05560	0.2
161.04541	0.5
163.11272	3.2
165.09175	0.6
165.12836	1.5
171.10263	1.9
175.03976	0.2
179.05486	0.1
179.10776	0.1
181.12317	0.4
185.11816	0.4
190.89180	0.1
191.10799	0.8
199.03828	0.2
203.14397	0.1
207.10249	0.3
209.11798	100.0
210.12134	6.2
211.03726	0.1
211.13367	0.4
221.15302	0.2
225.11299	0.2
227.12842	5.7
228.13103	0.4
231.13899	0.2
235.08165	1.3
247.13324	1.3
249.14917	0.5
253.09233	4.1
254.09555	0.2
265.14413	0.5
269.13950	0.1
278.53900	0.1
284.03265	0.5
285.03992	7.4
286.04385	0.5
287.05527	0.3
327.21585	0.2
373.25687	0.2
383.22211	0.3
401.23132	0.8
419.24487	0.5
445.20770	1.4
446.20868	0.1
447.31168	0.3
493.31113	0.7
591.25690	0.2
623.28369	0.3
637.32214	2.6
638.32666	0.4
655.20270	1.9
655.36011	2.9
656.21118	0.6
656.37122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.01707	1.1
61.98824	7.1
69.39948	0.4
71.01398	0.5
71.62568	0.4
89.52463	0.4
92.57980	0.4
96.18243	0.6
96.99310	1.8
97.02944	0.7
101.00948	0.6
103.23681	0.4
117.00419	0.7
141.01686	68.5
142.01991	1.1
142.05032	0.4
144.39902	0.4
173.03154	0.5
209.11716	0.7
211.13211	0.7
229.39122	0.4
257.05182	0.5
275.06137	2.4
277.21634	1.8
357.41769	0.4
359.21902	1.1
391.19559	1.0
535.27332	3.1
536.27759	0.8
595.29395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60308	0.4
57.07592	0.4
59.01374	100.0
60.01705	1.2
61.98827	8.3
69.85721	0.4
71.01373	0.9
86.07398	0.4
90.46505	0.4
96.99294	2.7
97.02955	0.7
98.20723	0.8
99.00869	0.4
100.74940	0.4
101.00944	0.9
104.72097	0.4
113.00967	0.7
114.87319	0.4
117.00443	0.6
127.22006	0.4
133.68575	0.4
141.01688	70.1
142.02023	1.5
142.05075	1.3
166.62367	0.5
173.02994	0.6
176.42714	0.4
201.02490	0.6
209.11867	1.1
211.13336	0.7
257.05261	0.6
275.06213	5.8
277.21722	3.0
317.07114	1.1
335.08511	1.2
359.21698	1.2
391.19574	2.3
535.27563	6.3
536.27722	1.2
587.69873	0.4
595.29614	2.3
596.30243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03441	1.0
58.00593	2.2
58.83749	0.2
59.01375	43.0
60.01708	0.3
61.98818	1.5
62.18092	0.2
67.01880	0.2
68.99795	0.6
69.03447	2.5
69.86211	0.7
71.01376	36.2
72.01716	0.4
72.99310	3.1
73.02936	5.5
75.00864	1.0
81.03447	1.7
83.01381	4.0
85.02946	7.9
86.00113	0.2
87.00865	9.1
87.04492	0.3
89.02435	33.0
90.02757	0.3
91.03999	0.9
93.03413	0.2
94.34038	0.2
95.01381	2.9
95.05005	0.2
97.02937	6.4
98.20602	0.5
99.00874	2.5
99.04529	0.3
101.02435	30.5
102.02793	0.5
103.03988	0.4
109.02945	0.7
111.00871	0.8
111.04488	0.9
112.01662	0.3
113.02436	15.3
114.02737	0.3
115.03989	0.9
119.03495	9.4
120.03796	0.3
121.02932	0.6
122.43246	0.2
123.00864	0.3
123.04501	0.3
124.01657	0.4
125.02435	12.2
126.02845	0.2
127.04004	0.4
131.03514	1.6
133.05032	1.2
137.02411	0.4
139.03998	1.0
141.01926	0.4
141.62459	0.2
142.02740	0.3
143.03487	6.6
149.02435	0.6
149.04558	1.1
157.04967	0.3
161.04541	7.2
167.03455	0.8
169.05035	0.5
171.02934	0.4
179.05592	6.8
185.04536	0.6
199.06061	0.6
203.05553	0.3
217.07121	1.3
219.05026	0.3
221.06604	2.6
223.47919	0.2
235.08206	14.8
236.08603	0.6
245.06622	0.8
253.09253	3.1
255.23265	100.0
256.23605	7.5
263.07718	1.5
269.24792	0.9
277.09378	1.2
277.12009	0.2
287.07739	3.8
305.08765	4.5
306.09055	0.3
323.09851	1.7
361.11258	0.8
379.12335	1.1
397.13446	96.1
398.13782	7.3
415.14520	34.2
415.18750	0.7
416.14929	2.9
428.87665	0.3
469.43579	0.2
653.37579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03450	1.0
58.00585	1.9
59.01376	38.8
60.01695	0.5
61.98823	1.8
63.67022	0.3
66.14169	0.3
69.03455	2.5
70.95207	0.7
71.01378	35.0
72.01721	0.5
72.99306	2.8
73.02939	5.7
75.00873	1.2
78.95919	0.3
81.03452	1.7
83.01384	4.2
85.02944	8.5
87.00874	8.7
87.04530	0.3
89.02435	33.0
90.02763	0.3
91.04015	0.8
93.03449	0.6
95.01385	3.0
97.02940	6.2
98.05542	0.3
99.00851	1.7
99.04536	0.4
101.02436	29.6
102.02779	0.5
103.03986	0.6
107.05011	0.4
109.02937	0.9
111.00906	0.7
111.04531	1.0
113.02444	14.1
115.04002	0.7
119.03491	9.2
121.02969	0.7
123.00883	0.3
123.04539	0.4
125.02435	12.7
127.04053	0.3
129.01949	0.4
131.03474	1.7
133.05052	1.1
139.03990	1.3
141.01913	0.9
143.03471	5.5
149.04567	1.0
152.99648	0.3
161.04547	6.9
165.89996	0.3
167.03462	0.9
169.05086	0.7
179.05579	6.5
184.13055	0.3
185.04568	0.6
199.06104	0.6
203.05443	0.4
209.11852	0.5
217.07129	0.9
219.05029	0.4
221.06650	2.4
235.08200	15.2
236.08548	0.5
242.10709	0.3
245.06569	0.7
246.57426	0.3
253.09256	3.6
254.38249	0.3
255.23264	100.0
256.23599	8.4
259.08194	0.3
263.07660	1.2
269.24777	0.8
277.09186	1.0
287.07697	3.5
288.07959	0.3
298.69934	0.3
305.08707	5.1
323.09750	1.7
359.06302	0.3
361.11429	0.5
379.12335	1.2
397.13449	98.3
398.13757	6.0
415.14517	34.1
416.14816	2.6
481.02985	0.3
595.29114	0.6
653.37537	1.0
665.13605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.4
62.96400	0.6
64.33012	0.3
64.94102	0.3
70.76289	0.6
71.68110	0.4
78.95895	100.0
83.60509	0.3
87.69173	0.3
96.96988	0.4
149.00084	4.7
150.90710	0.3
152.99522	0.6
167.44673	0.4
205.15952	2.3
209.11819	2.9
255.23170	0.5
277.21701	4.6
285.12549	3.7
355.16803	1.9
385.17676	0.9
431.45184	0.3
447.13266	5.3
448.13931	0.6
653.30011	59.8
654.30396	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	653.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.7
61.74935	2.7
61.98822	52.7
71.01379	12.2
71.62870	4.3
71.63878	2.7
72.99332	4.1
76.73704	2.9
82.95406	33.2
83.01396	3.4
85.02934	3.2
88.98795	9.7
89.02446	4.2
96.96021	17.7
101.02435	6.9
116.68098	2.4
117.03454	11.7
121.02991	2.7
125.02445	3.8
135.04507	25.1
137.02383	3.3
138.02028	3.2
145.02946	25.9
147.04527	7.6
151.03972	3.9
151.11237	2.6
161.02480	3.6
161.04535	8.3
163.03979	3.5
164.21117	2.7
172.89180	3.1
182.35240	2.5
209.11821	6.8
261.13428	6.6
277.12900	29.5
355.24985	7.3
357.26349	16.1
373.25900	8.6
617.39166	5.4
653.37091	100.0
654.38293	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	653.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
59.01374	16.5
60.99307	16.7
61.86866	2.0
61.98825	99.5
68.98931	2.2
71.01375	8.8
72.99293	2.6
73.02945	5.6
75.00878	2.8
85.02931	6.5
88.98797	100.0
89.02441	6.5
93.03440	27.1
94.92503	2.5
94.98085	5.2
96.96003	13.8
101.02433	5.6
105.63762	2.0
109.02924	4.0
109.06595	4.2
113.02406	4.6
116.92813	2.3
119.04996	2.6
121.02922	3.3
123.04539	4.1
125.02444	5.6
125.09708	3.9
135.08124	3.0
137.01414	3.7
137.02431	54.7
138.87251	2.2
145.02969	3.7
152.01143	3.6
153.01894	2.9
153.05502	2.1
161.04504	5.3
171.08783	3.2
171.10254	63.5
172.10632	3.2
175.03918	2.7
185.11758	2.5
187.03864	2.0
207.10185	3.6
209.11781	59.8
210.12138	2.6
227.12846	12.8
235.08173	4.8
251.11302	11.1
253.09186	3.8
285.03870	3.6
357.26318	6.3
359.27881	10.7
360.28253	3.1
371.24329	3.4
375.27444	3.9
406.24048	2.1
407.19119	3.8
417.22552	2.5
431.20502	3.2
445.20840	4.2
455.26419	8.4
563.28839	2.3
593.28760	3.1
599.31073	2.2
635.30139	6.2
653.30176	43.6
654.31183	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	653.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
59.01374	16.5
60.99307	16.7
61.86866	2.0
61.98825	99.5
68.98931	2.2
71.01375	8.8
72.99293	2.6
73.02945	5.6
75.00878	2.8
85.02931	6.5
88.98797	100.0
89.02441	6.5
93.03440	27.1
94.92503	2.5
94.98085	5.2
96.96003	13.8
101.02433	5.6
105.63762	2.0
109.02924	4.0
109.06595	4.2
113.02406	4.6
116.92813	2.3
119.04996	2.6
121.02922	3.3
123.04539	4.1
125.02444	5.6
125.09708	3.9
135.08124	3.0
137.01414	3.7
137.02431	54.7
138.87251	2.2
145.02969	3.7
152.01143	3.6
153.01894	2.9
153.05502	2.1
161.04504	5.3
171.08783	3.2
171.10254	63.5
172.10632	3.2
175.03918	2.7
185.11758	2.5
187.03864	2.0
207.10185	3.6
209.11781	59.8
210.12138	2.6
227.12846	12.8
235.08173	4.8
251.11302	11.1
253.09186	3.8
285.03870	3.6
357.26318	6.3
359.27881	10.7
360.28253	3.1
371.24329	3.4
375.27444	3.9
406.24048	2.1
407.19119	3.8
417.22552	2.5
431.20502	3.2
445.20840	4.2
455.26419	8.4
563.28839	2.3
593.28760	3.1
599.31073	2.2
635.30139	6.2
653.30176	43.6
654.31183	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	649.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20695	1.3
57.03438	2.7
59.01373	24.8
61.98822	13.1
67.53249	1.3
69.03448	5.5
69.58024	8.8
71.01373	10.7
72.99289	1.6
73.02942	5.6
79.95721	1.8
81.03436	12.5
82.49995	1.3
83.01363	1.8
83.05016	75.8
84.05338	1.2
85.02928	4.9
87.00858	1.5
89.02428	2.3
93.03446	33.6
95.01353	1.6
96.95997	18.7
98.95557	2.3
99.00838	1.5
100.79380	1.4
101.02435	8.2
108.02234	1.5
109.02940	36.7
111.04510	75.1
112.04823	2.7
112.98522	1.7
113.02417	4.5
116.92842	2.4
117.03435	1.4
119.05036	2.4
121.02943	46.0
123.04509	100.0
124.04797	2.8
125.02425	3.4
127.03992	4.4
133.02888	1.5
137.01421	2.1
137.02431	32.5
139.11296	7.4
145.02957	6.1
150.06868	2.6
155.03493	51.9
156.03796	1.9
161.04517	8.2
161.05894	2.1
165.01904	1.8
171.10231	3.4
177.01895	2.8
183.08636	2.2
183.10240	40.3
184.10585	1.6
205.04933	3.4
209.11763	4.4
248.31232	1.4
265.07031	2.0
267.08624	1.5
271.08124	3.4
321.63348	1.2
327.14539	2.5
344.40997	1.2
355.24957	1.4
357.26431	4.3
359.27972	12.5
371.23950	1.7
373.26065	1.6
375.27194	5.3
405.40454	1.5
483.19028	1.6
589.22791	27.9
589.31805	3.1
590.22852	6.0
613.35834	3.8
649.39386	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01361	1.1
68.57750	0.2
71.01365	1.0
72.99319	0.2
81.03442	0.3
83.05056	0.2
85.02940	8.7
86.03257	0.2
87.00854	1.3
89.02477	0.3
89.12326	0.2
93.03447	5.0
94.03786	0.2
96.96004	1.3
99.04533	0.3
109.02943	0.4
111.00857	0.3
111.04509	0.8
120.99674	0.4
121.02950	0.2
125.02394	0.2
127.03991	1.5
129.01878	0.4
133.02927	0.6
135.04494	0.7
137.02431	6.4
147.02965	0.5
161.02431	1.5
171.02986	0.4
173.04504	1.0
177.01836	0.3
179.03464	0.8
191.05585	100.0
192.05920	3.4
199.82643	0.2
280.25671	0.2
299.07785	1.0
313.05576	1.1
339.07309	0.2
353.08743	13.5
354.09052	1.1
680.40894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.215
Annotation	Egonol gentiobioside
Peak:m/z	Relative Intensity
59.01374	8.0
61.98817	1.4
62.68053	0.5
68.21587	0.6
68.99804	0.6
69.03425	0.7
69.51304	3.4
71.01385	5.3
72.99284	2.2
73.02943	1.9
75.00867	3.1
79.95764	0.7
82.95393	0.8
83.01363	1.9
85.01028	2.9
85.02928	1.7
85.26924	0.5
87.00853	1.1
88.98795	1.1
89.02420	2.3
91.27525	0.5
93.03453	0.7
95.05009	2.0
96.95427	0.9
96.95998	10.6
97.02931	1.1
98.95618	0.5
99.00864	1.2
101.02455	3.1
101.05425	1.1
101.06073	18.2
103.00356	0.8
112.98804	3.6
113.02438	1.4
115.00362	1.4
115.02122	0.6
115.07641	12.5
121.02906	1.4
125.02441	3.0
127.02050	0.7
137.02396	0.8
139.03969	1.8
143.07042	0.8
145.01407	5.1
145.03026	1.2
150.03206	0.9
157.01396	1.7
159.04442	0.5
165.01917	0.6
165.05440	0.9
170.61053	0.5
175.02467	0.8
175.03876	0.7
187.02431	0.7
191.05615	0.8
195.06554	1.0
197.04594	0.5
233.89577	0.5
263.05753	1.1
359.07831	0.9
429.15753	7.7
443.17111	1.0
469.20651	1.2
471.16959	0.6
501.14227	1.2
541.84766	0.6
649.21436	100.0
650.21820	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	647.2
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
58.00584	1.7
59.01374	19.8
69.77817	2.9
71.01372	14.2
72.99280	1.5
74.99115	0.8
83.01339	0.6
85.01017	6.9
85.02945	5.1
87.00857	1.4
88.41991	0.5
89.02433	13.2
93.03473	2.7
95.01389	1.5
95.05029	3.9
96.96001	4.9
97.02962	0.6
98.19938	1.0
101.02434	10.3
105.74057	0.5
108.02139	1.3
109.02921	0.8
110.81737	0.5
113.02428	8.5
115.02040	1.2
119.03492	6.5
120.99617	1.5
121.02953	1.0
125.02432	2.1
127.02050	1.8
136.99120	1.8
137.02405	2.5
139.02060	0.8
145.03099	1.2
153.01917	1.0
157.05026	3.9
163.03964	0.7
167.03450	1.2
179.05563	0.7
187.04147	0.5
191.05547	1.1
299.07828	1.0
315.07214	1.9
319.10236	8.0
320.10388	0.8
331.06781	0.7
344.70972	0.7
345.09973	9.4
346.10452	1.0
384.75485	0.6
441.11600	1.2
489.13708	0.9
647.19958	100.0
648.08875	0.7
648.20197	12.6
648.31042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.01812	0.1
61.50194	0.1
61.98826	100.0
62.98531	0.1
69.64790	0.5
69.65204	0.2
71.01390	0.2
75.81230	0.1
80.77921	0.1
82.95401	0.3
83.05027	0.2
88.98827	0.3
89.02517	0.1
96.96000	0.9
101.02464	0.2
101.55678	0.1
108.36857	0.1
109.02969	0.2
113.02480	0.1
116.92851	0.2
119.20873	0.1
120.58687	0.1
125.02454	0.3
137.02472	0.1
145.02953	0.4
161.04495	0.1
163.04024	0.1
183.10262	0.8
184.10611	0.5
185.10785	0.2
187.03845	0.1
199.13377	0.8
200.13811	0.4
209.11781	1.5
210.12140	1.0
227.12967	0.2
228.13170	0.2
253.09319	0.2
373.26074	0.4
374.26328	0.3
419.25488	0.1
564.28857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	18.5
59.01357	4.4
61.98826	2.1
63.02391	3.2
64.95249	1.1
65.00314	5.8
66.10490	1.0
66.90749	1.2
69.51201	8.5
71.01374	2.8
73.02920	1.4
81.03448	1.3
83.01389	11.5
89.02435	1.3
93.03448	3.4
95.01376	3.2
96.95998	10.6
98.20650	2.0
101.02422	2.8
107.01379	9.0
108.02186	1.8
109.02960	9.5
111.00897	1.2
116.62246	1.0
118.98059	2.0
121.02956	5.5
122.03695	3.6
123.00912	6.7
123.04475	2.8
124.01641	7.0
125.02434	92.6
126.02794	2.2
134.03659	1.2
135.04509	3.3
137.02431	18.3
137.49570	1.1
139.04007	7.8
145.02931	3.0
147.04352	1.2
149.02423	6.2
149.06140	1.5
150.03242	5.5
151.00349	32.6
151.03960	3.7
152.01138	8.6
153.01912	18.0
155.03496	3.4
159.04494	3.0
161.02403	3.6
161.04636	1.7
161.06012	2.3
162.03281	1.3
163.00317	4.3
163.03972	5.2
164.01074	3.1
164.04749	1.8
165.01909	25.3
165.05511	3.6
166.02545	3.5
167.03481	17.3
169.01405	2.7
174.03261	1.2
175.00348	7.5
175.03978	4.0
176.01151	2.7
177.01973	6.5
177.03252	1.4
177.05560	2.3
178.99847	34.3
179.03484	2.2
180.00209	2.0
181.01392	2.7
181.04939	1.2
183.04460	2.4
184.97748	1.1
185.06035	1.9
187.04024	3.1
189.01898	3.6
189.05553	1.8
190.02696	4.9
191.03477	16.6
192.00604	3.5
193.01398	94.7
194.01700	4.4
196.06822	1.3
199.03960	1.4
201.05557	1.9
203.03575	1.9
203.07082	3.0
204.04303	1.9
205.05051	7.5
207.02965	1.7
207.06592	1.4
209.04456	1.3
209.11739	2.1
210.12234	1.2
211.04008	4.0
213.02020	1.4
213.05585	1.6
214.02669	2.2
215.03505	7.5
227.03481	3.4
227.12901	1.3
229.04970	3.8
231.03069	1.7
232.03700	1.9
233.04478	11.0
239.03384	3.7
247.06018	2.5
255.02991	12.5
256.03528	3.1
257.04514	7.6
273.04022	1.5
275.05594	8.6
282.99310	2.4
283.02444	42.0
284.02859	2.7
285.03961	3.8
300.02670	2.5
301.03531	7.9
303.05020	4.0
319.04507	2.6
327.08716	2.7
371.24246	1.1
486.93939	1.3
495.17001	1.3
503.15250	1.5
521.16559	27.2
522.17120	2.4
561.29144	1.5
599.19757	1.6
603.20850	4.9
619.20258	5.1
629.08203	2.7
629.18665	56.8
630.18744	7.6
647.20044	100.0
648.20404	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44876	0.1
57.01216	0.1
57.03445	0.1
59.01369	1.3
61.98824	100.0
69.37412	1.2
71.01378	0.4
74.99068	0.3
82.95399	0.2
85.02932	0.2
89.02408	0.3
96.95982	1.0
98.95583	0.3
99.14878	0.1
101.02451	0.4
116.92862	0.1
123.04535	0.2
127.04026	0.2
135.04494	0.1
137.02429	0.2
145.02902	0.3
161.04591	0.3
183.10286	0.6
184.10612	0.5
185.10831	0.3
197.11739	0.1
209.11862	0.4
210.12140	0.3
224.77066	0.1
285.04071	0.3
313.52420	0.1
371.24393	0.2
418.25470	0.1
419.25391	0.3
420.25723	0.2
553.38092	0.2
583.18219	0.2
602.39777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49611	0.1
59.01378	0.9
61.98824	100.0
63.86639	0.1
70.17611	0.3
70.18007	0.5
71.01385	0.5
74.99087	0.3
82.95444	0.2
83.05021	0.2
83.17762	0.1
84.43838	0.1
84.92160	0.1
96.95982	1.0
97.35023	0.1
98.20608	0.1
101.02445	0.4
101.56233	0.1
107.74508	0.1
111.98254	0.1
113.02500	0.1
125.09769	0.1
127.03968	0.3
139.11282	0.2
141.01781	0.1
145.02959	0.3
161.04649	0.2
183.10262	0.6
184.10612	0.4
185.10854	0.1
191.05583	0.1
209.11806	0.2
213.06792	0.1
239.97023	0.1
275.66913	0.1
284.03232	0.2
285.03998	0.4
286.03937	0.2
371.24359	0.2
372.25031	0.1
419.25543	0.2
477.69376	0.2
563.28381	0.2
602.40063	0.3
646.39636	0.2
647.32037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40253	0.6
55.01833	0.6
57.03432	1.1
59.01379	3.3
61.98829	3.0
69.52924	3.0
69.53341	2.1
71.01367	2.3
73.02944	1.0
76.18739	0.7
80.02647	1.5
81.03438	1.7
83.01373	1.0
83.05011	5.8
84.02151	1.6
85.02939	0.8
89.02438	1.2
93.03420	1.2
94.48672	0.7
95.05023	1.6
96.95996	12.1
101.02425	2.1
107.05021	0.8
109.02937	2.5
121.02953	1.9
122.03770	0.8
123.04503	2.3
125.02435	7.8
125.06106	1.0
135.04500	1.9
135.08122	1.2
137.02431	13.1
145.02916	2.6
147.04488	1.2
148.01685	0.9
149.02388	1.7
151.00342	1.6
151.03975	2.0
153.01929	1.5
161.02438	1.3
162.03172	1.9
163.03983	4.2
163.11258	4.9
164.01274	0.7
164.04721	0.8
165.01912	56.5
165.12825	3.6
166.02350	2.2
171.10278	1.4
175.04001	5.8
176.04745	1.5
177.01917	1.7
177.05540	3.1
178.99870	1.2
179.03459	9.5
179.07164	1.2
180.04257	32.5
181.04669	1.9
181.12343	0.9
188.04771	2.7
189.05548	1.3
190.06314	4.8
191.03464	1.6
191.05540	1.0
191.07143	3.4
191.10712	1.3
192.04279	0.9
193.05049	3.1
194.05818	6.1
195.02895	1.3
195.06598	42.4
196.06938	2.1
199.13335	0.8
203.07094	1.1
205.04926	0.8
205.08643	5.4
206.05952	0.8
207.06627	4.8
208.07364	2.7
209.11801	100.0
210.05302	6.4
210.12152	4.2
211.05934	1.4
222.08861	0.9
225.07649	31.5
226.07942	1.4
227.12862	47.6
228.13126	1.5
284.03149	1.0
285.04004	12.8
286.04584	1.0
299.79504	0.7
303.05002	2.6
321.12408	0.8
350.97867	0.8
374.13684	0.8
375.14322	1.2
389.16003	25.8
390.16275	2.4
391.26550	0.8
401.15878	1.0
473.21008	0.8
499.95987	0.7
507.16513	1.1
519.23230	0.7
567.22272	25.8
568.22198	3.5
597.23120	1.3
609.28986	1.0
615.24280	5.6
645.17981	2.9
645.29419	9.1
646.18402	0.9
646.29010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07345	0.5
55.01876	0.5
57.03431	3.7
59.01374	53.9
60.01712	0.9
61.98827	7.1
63.19059	0.4
69.03449	6.5
70.94100	0.8
71.01373	13.5
71.05004	1.0
72.99281	0.7
73.02930	3.0
74.42521	0.5
80.02671	0.8
81.03445	1.2
83.01381	1.7
83.05022	2.8
84.02166	0.6
85.02938	5.1
87.00858	0.6
87.04511	0.5
89.02436	6.2
93.03432	0.6
95.01369	1.0
96.95997	1.9
99.00845	0.9
101.02428	9.4
111.08093	0.4
113.02446	4.8
113.06100	0.7
119.03494	1.9
121.99896	0.4
123.08112	0.7
125.02425	1.3
130.57762	0.4
137.02452	0.7
139.11276	16.7
140.11601	0.5
141.09221	0.5
143.03514	0.4
145.02991	0.6
149.04520	0.5
150.32686	0.4
153.12814	0.9
159.02963	0.5
161.04552	6.5
161.62672	0.5
163.11310	2.6
165.12782	1.4
167.03424	0.5
169.12331	5.7
171.10237	0.6
172.27245	0.5
179.05620	0.7
179.10759	0.5
183.10246	100.0
184.10609	4.8
191.03577	0.5
197.11810	95.6
198.12175	4.0
209.11807	68.7
210.12137	4.2
210.86478	0.6
227.12837	10.7
235.08194	3.6
235.13408	0.8
253.09236	8.0
399.23715	1.6
417.24875	36.0
418.25357	3.9
426.13080	0.6
433.20685	4.6
445.20758	1.1
583.00452	0.6
607.31842	1.1
632.32385	0.5
644.33038	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.3
59.01374	63.7
60.01719	0.6
60.19975	0.3
61.98830	2.3
69.03445	4.7
69.25424	3.2
71.01375	6.2
71.05007	0.8
73.02950	1.6
73.19391	0.3
73.69312	0.3
82.76098	0.3
83.01370	0.4
85.02930	2.3
89.02437	2.1
89.22973	0.3
95.01369	0.6
96.96001	3.1
99.00838	0.6
101.02438	3.8
111.08138	0.6
113.02435	3.0
113.05979	0.3
119.03490	1.0
123.08188	0.4
125.02428	0.6
139.11278	13.2
140.11555	0.5
141.01898	0.4
143.03447	0.6
145.02914	0.5
156.49011	0.3
159.02969	0.4
161.04541	4.5
165.09250	0.5
167.03329	0.3
179.05620	0.5
183.10243	100.0
184.10580	4.6
197.11810	2.8
209.11833	2.9
227.12801	0.9
253.09248	0.3
255.19627	0.7
270.66418	0.3
399.23734	1.1
417.24881	21.6
418.25226	2.2
512.86273	0.4
583.34137	0.6
643.36609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
59.01373	47.8
60.01703	0.4
61.98827	2.9
68.10847	0.4
69.03450	6.1
69.03790	0.5
70.84559	0.9
71.00989	0.5
71.01377	8.8
71.01760	0.6
71.05022	1.3
71.10278	0.3
72.99319	0.5
73.02554	0.4
73.02929	2.5
79.95741	0.6
80.91656	0.4
81.03439	0.5
83.01372	0.8
83.05024	1.5
84.02184	0.3
85.02942	3.0
87.00861	0.3
87.04499	0.4
89.02431	3.6
95.01359	0.7
96.96001	14.5
99.00885	0.8
101.02435	6.9
106.51178	0.3
111.08173	0.9
113.02438	3.8
113.06094	0.5
116.92886	0.7
119.03473	1.6
122.06205	0.3
123.04450	0.4
123.08184	0.5
125.02451	1.2
125.06018	0.4
135.08284	0.3
137.02370	0.3
139.11278	15.3
140.11638	0.8
143.03558	0.8
145.02925	1.0
153.12819	0.4
159.03001	0.6
161.02536	0.4
161.04544	4.8
163.11278	0.6
165.12878	0.7
167.03452	0.8
169.12329	2.6
171.10213	0.7
179.05602	1.1
180.04033	0.4
183.10239	100.0
184.10565	4.4
197.11801	31.3
198.12189	1.3
199.13324	0.5
201.11353	0.9
209.11797	23.3
210.12120	1.2
217.01576	0.4
223.13411	0.8
225.11015	0.3
227.12871	4.6
227.63333	0.3
235.08177	1.1
235.13329	0.4
236.42917	0.4
237.32776	0.4
242.31401	0.4
250.81741	0.4
253.09276	2.6
255.19621	0.8
399.23895	1.4
417.24869	27.7
418.25049	2.7
433.20514	1.8
436.66153	0.4
481.18793	0.5
523.19690	0.5
561.26758	0.5
626.93860	0.4
643.23828	0.8
643.35382	0.3
644.32135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
58.00602	0.3
59.01373	10.1
59.74492	0.2
60.01704	0.3
61.01775	0.2
61.98823	11.2
65.00236	0.2
69.03445	1.0
69.60381	0.2
71.01382	4.4
71.05017	0.4
71.63318	0.2
71.65996	0.2
73.02923	0.8
80.02684	1.0
80.96532	0.3
81.03456	1.5
83.01359	0.8
83.05014	4.3
84.02157	0.9
85.02953	1.1
86.81061	0.2
87.00842	0.4
89.02432	2.7
93.03445	0.6
95.01416	0.3
95.05027	0.8
96.96004	2.4
97.02955	0.5
97.06585	0.3
99.00839	0.3
99.04571	0.3
101.02444	3.4
109.02920	0.3
113.02447	1.8
117.03462	0.3
119.03481	0.7
123.04490	0.4
123.08144	0.3
125.02422	1.4
125.06077	0.5
125.09715	0.3
135.08141	0.8
137.02411	1.3
139.04100	0.3
139.11250	1.8
141.09225	0.3
143.03549	0.4
145.02937	0.7
145.05034	0.4
148.05380	0.2
151.00346	0.4
151.04010	0.3
153.09117	0.3
153.12833	1.0
161.04584	1.9
163.11279	3.2
165.01808	0.5
165.12833	2.0
165.99960	0.2
167.03485	0.9
169.12341	3.8
171.10251	1.0
175.00690	0.2
179.03452	0.4
179.05566	0.6
179.10825	0.6
180.04341	0.4
181.12254	0.5
183.10240	11.7
184.10617	0.7
187.03848	0.2
187.07693	0.2
189.01990	0.5
191.05583	0.4
191.10812	0.9
197.11804	67.4
198.12152	3.3
199.13428	0.5
201.11278	0.7
209.11803	100.0
210.12155	5.0
210.14336	0.3
210.15047	0.3
217.01421	0.5
218.92583	0.3
223.13458	0.7
227.12862	14.0
228.13200	0.8
235.08211	2.7
235.13426	0.5
253.09259	8.1
289.07224	0.4
371.22775	0.2
389.23434	0.4
394.14093	0.2
399.24054	0.3
407.24268	0.3
415.19470	0.4
417.24911	2.9
418.24933	0.3
426.13242	0.6
433.20706	1.6
445.20624	2.0
492.30197	0.2
523.19861	1.1
553.20850	0.5
607.31128	0.8
625.32355	0.5
643.37030	0.7
644.32642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16035	0.3
59.01093	0.8
59.01369	9.4
61.98515	0.7
61.98824	8.3
69.03430	0.5
69.34584	4.0
69.83065	0.4
71.01376	5.5
73.02915	0.6
77.03955	0.4
81.03446	0.4
83.01381	3.6
83.85617	0.4
85.02934	1.8
88.98808	0.4
89.02426	3.3
92.14323	0.4
93.03439	1.6
95.01375	1.4
95.05007	0.5
96.96005	2.4
97.02964	3.1
98.20687	0.7
101.02438	3.2
102.98581	2.1
108.02152	1.8
109.02940	8.2
113.02425	1.7
119.03465	1.0
121.02937	4.1
122.03730	7.8
123.04527	5.8
124.01634	2.4
125.02441	4.9
135.04475	1.2
136.01666	0.8
137.02425	22.2
138.03140	1.3
139.03975	1.9
143.05072	0.5
145.02917	1.1
146.03699	1.8
147.04483	0.5
149.02426	2.9
149.06104	0.7
150.03212	1.3
151.00346	0.4
151.03989	3.1
154.02658	1.5
159.04491	1.6
161.02361	1.4
161.06036	3.3
162.03159	1.1
163.03952	1.8
164.01155	4.2
165.01910	33.3
165.05580	0.8
166.02298	1.2
173.05956	0.5
175.03926	1.6
175.07640	0.5
177.01923	0.5
177.05498	1.5
178.06331	0.5
179.03448	3.8
187.03958	1.7
188.04709	1.0
190.02692	0.5
195.73116	0.5
199.73103	0.4
201.05411	1.1
202.06227	0.7
203.03694	0.6
203.07112	6.6
204.04251	0.9
204.63708	0.4
205.05031	8.7
206.05405	0.7
209.11848	0.6
229.04974	0.7
231.02919	0.7
243.06494	0.5
244.07309	1.1
247.06087	2.0
270.05179	0.6
285.03897	0.8
288.06433	2.2
299.16669	0.6
373.25800	0.8
395.21924	0.7
419.22198	3.3
463.21341	0.8
479.22702	1.4
491.22726	2.4
599.28424	1.3
643.27478	100.0
644.27722	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	643.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
59.01094	0.8
59.01371	9.9
61.98822	5.3
69.03407	0.7
69.89513	2.8
71.01380	5.4
72.99276	0.7
76.62002	0.7
83.01366	2.6
84.04147	0.7
85.02946	1.6
87.00813	0.8
88.26306	0.5
89.02441	4.4
89.90714	0.5
93.03451	4.1
95.01359	2.0
96.95974	2.8
97.02940	4.1
98.20604	0.8
99.00860	0.6
101.02440	3.9
108.02158	2.0
109.02941	10.0
113.02422	1.8
113.10104	0.6
119.03539	1.4
121.02939	4.5
122.03750	7.2
123.00947	0.6
123.04538	5.4
124.01661	2.2
125.02419	3.4
131.35123	0.7
135.04478	2.4
136.01613	1.3
137.02428	27.0
137.06908	0.6
138.03169	1.4
139.03995	1.3
139.07613	0.7
145.02942	1.3
146.03670	1.2
149.02446	2.9
150.03134	1.8
151.00366	1.7
151.03943	4.6
152.04361	1.0
154.02672	1.3
159.04427	1.0
161.02428	2.1
161.04747	0.8
161.05978	3.4
162.03229	1.2
163.03944	2.0
164.01137	4.8
165.01913	31.7
165.05531	1.1
171.10219	0.9
175.03951	1.6
175.07742	0.8
177.05502	1.8
179.03490	3.8
187.03931	1.9
202.06474	0.8
203.03328	0.9
203.07121	5.5
205.05061	8.8
209.11836	5.3
225.11180	0.9
227.12840	3.0
229.04994	0.7
231.03137	1.1
244.07320	1.2
247.06049	1.1
271.08157	1.1
288.06302	1.5
339.16034	1.1
371.24359	2.0
389.25320	6.6
395.22357	0.8
419.22260	3.0
479.22665	1.2
491.23053	1.8
599.28625	2.3
643.27460	100.0
644.27802	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28080	0.4
54.60316	0.4
55.41681	0.5
58.85668	0.4
61.98829	2.2
67.01897	1.3
69.03459	0.9
69.57907	3.2
71.01369	0.9
74.70454	0.6
79.95738	0.7
81.03445	1.0
93.03433	0.9
96.96001	22.9
97.02941	0.7
107.05002	0.5
109.02947	4.5
121.02948	0.9
123.00861	1.5
123.04514	0.8
124.01643	1.0
125.02439	14.4
135.04529	1.1
136.01662	1.9
137.02434	28.3
138.03012	0.8
139.00409	0.7
139.04036	0.7
142.91646	0.5
147.00873	0.7
149.02362	0.7
150.03154	2.4
151.00354	5.0
151.04002	3.7
152.01089	1.4
152.04823	1.6
153.01883	0.8
159.04491	1.1
161.02397	0.7
161.06084	0.5
162.03218	0.8
163.00362	0.7
163.04013	0.6
164.01115	2.8
165.01918	100.0
165.05565	3.2
166.02701	15.7
167.03391	1.6
173.02393	0.7
175.03970	1.6
177.01932	1.4
177.05551	1.9
179.03488	19.8
179.05089	0.9
179.07045	0.7
180.04269	55.2
181.05046	19.6
187.03960	2.0
189.05576	0.6
190.02689	0.8
190.06343	0.5
192.04285	0.9
193.05067	1.2
194.05818	3.8
195.03047	2.8
195.06609	75.8
196.06937	3.5
203.03517	0.6
205.05006	4.1
206.05667	0.7
207.06573	0.8
209.08134	0.7
210.05325	10.3
211.05753	0.8
220.07387	2.3
221.08087	0.7
225.07651	54.8
226.08025	2.9
235.09731	0.7
240.07364	0.5
355.24976	0.6
359.11292	2.2
371.11292	0.8
372.11868	0.6
373.25824	4.3
386.13251	1.2
387.09875	3.0
387.14896	5.6
388.10904	0.8
402.13028	1.2
403.13812	2.0
416.14737	1.6
417.15466	29.7
418.15750	2.3
565.21198	3.7
580.19360	1.3
595.21771	42.5
596.22198	6.2
643.24976	2.1
643.35577	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	643.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77342	0.1
57.26820	0.1
59.01382	0.5
61.98821	2.4
68.52527	0.1
69.30594	1.0
71.01375	0.4
72.99279	0.1
78.95895	0.3
79.95728	3.5
80.35052	0.1
85.13056	0.1
89.02422	0.2
93.03434	0.2
96.95998	100.0
97.95941	0.3
101.02454	0.2
108.02171	0.1
109.02943	0.4
117.03419	0.1
119.03442	0.1
119.05000	0.2
120.97570	0.1
121.02962	0.1
122.03697	0.1
123.04517	0.3
125.02419	1.7
137.02438	0.2
145.02933	0.4
151.07663	0.2
161.04572	0.1
163.03984	0.2
175.03970	0.1
191.05496	0.2
209.11716	0.1
251.11382	0.2
270.04919	0.1
285.04102	0.2
289.07132	0.2
355.24701	0.2
371.24423	0.1
373.25919	0.6
385.45477	0.1
580.15039	0.1
607.27515	0.1
642.36127	0.3
643.34412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33789	0.6
54.85513	0.6
57.03440	4.3
59.01360	1.7
63.02376	0.9
65.00324	4.0
67.01889	0.6
68.99783	0.6
69.51732	4.2
71.01363	1.8
72.99328	0.6
81.03456	0.7
81.44476	0.5
83.01385	4.5
85.02962	1.1
87.00858	0.8
89.02433	0.8
93.03446	2.7
95.01366	0.7
95.05006	0.7
96.95986	2.5
107.01377	8.5
109.02934	3.8
120.99739	0.7
121.02914	2.2
123.00879	0.9
123.04510	0.7
124.01630	2.2
125.02439	56.3
126.02763	0.8
131.01332	1.0
137.01563	0.9
137.02451	10.0
139.00360	0.8
139.03999	5.3
147.00874	0.7
149.02415	4.7
151.00362	31.6
151.04015	1.1
152.01073	2.4
153.01929	27.5
155.03488	0.8
161.02438	0.7
163.00317	0.9
163.03967	1.1
164.01079	0.9
165.01912	16.9
166.02563	1.0
167.03458	7.0
169.01392	1.4
175.00343	9.3
176.01041	0.8
177.01949	6.7
178.99838	20.8
179.03433	0.9
180.00157	0.8
181.01419	14.4
189.01889	1.2
191.03439	3.6
191.05544	2.0
193.01392	26.9
194.01782	0.8
195.03000	3.0
205.01372	1.2
205.04980	1.4
207.03062	1.2
211.04008	1.2
215.03438	2.0
217.01317	0.7
227.03500	0.9
229.05000	1.0
231.02997	1.0
233.04506	2.2
239.03482	0.8
255.02975	3.1
256.03629	0.9
257.04498	2.2
273.03851	1.5
275.05582	2.1
282.01730	1.1
283.02408	8.6
284.02615	0.8
290.04047	0.7
291.05042	4.3
300.02835	1.5
301.03622	4.3
307.02670	0.8
313.05487	1.5
315.07596	0.9
319.04544	5.5
327.07074	3.6
331.11703	0.7
341.05142	8.3
343.06714	3.6
353.08652	0.9
355.06616	7.8
356.07159	0.8
415.48959	0.7
437.10736	1.0
445.07422	1.4
453.10303	12.1
454.10712	1.7
463.08752	20.5
464.09348	1.2
477.10159	1.8
481.09790	100.0
482.10208	10.0
520.36908	0.6
615.16034	1.4
625.14203	1.5
643.15070	5.4
644.16010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31725	0.3
57.03442	0.3
59.01371	2.7
61.98824	100.0
62.98519	0.5
62.99260	0.2
63.99245	4.2
68.99562	0.5
69.34726	1.9
69.35130	0.5
71.01378	1.4
73.02949	0.6
75.00870	0.5
79.95734	0.7
80.96518	0.4
83.01399	0.5
83.05030	0.3
85.02943	0.7
85.18275	0.3
87.00867	0.5
89.02444	0.6
93.03474	0.4
96.96000	11.8
98.20653	0.5
99.00859	0.3
101.02463	0.8
105.03397	0.3
109.02955	1.1
112.98592	0.7
113.02465	0.5
117.03452	2.3
118.03813	0.7
119.04970	0.5
120.99631	3.5
121.02930	0.6
121.99991	0.5
123.04514	0.8
125.02445	1.3
129.44283	0.3
132.02190	0.5
133.02942	9.7
134.03668	0.3
135.04503	3.1
136.05264	0.9
137.02422	1.3
145.02934	5.1
146.03285	2.2
147.03546	0.5
157.29411	0.3
161.02426	40.0
162.02795	1.5
163.03989	0.7
165.01935	1.7
165.05547	0.4
171.10266	0.4
177.01901	0.5
179.03484	2.2
180.04269	1.0
181.05205	0.3
183.10283	0.4
189.01891	0.5
191.03485	0.4
191.05557	0.3
195.06577	1.1
197.11789	0.5
209.11871	0.7
216.00584	0.4
217.01422	0.3
219.03049	0.4
225.07669	1.4
236.92278	0.3
251.11320	1.6
252.11760	0.7
267.10843	0.6
268.03732	0.7
269.04501	3.4
270.04758	2.5
271.05209	1.6
285.03790	0.6
286.04269	0.4
353.23129	0.3
355.25058	0.3
357.26428	0.3
371.24210	1.0
372.24854	0.4
373.26080	0.6
389.25381	0.3
414.09235	0.3
419.11310	1.2
433.10385	0.4
479.33704	0.8
480.34171	0.8
485.59625	0.3
523.19800	0.7
523.46350	0.3
577.13348	0.8
578.13574	0.4
579.14459	8.1
579.28021	40.0
580.14355	0.8
580.28363	6.1
606.36743	0.4
628.33502	0.3
642.24573	0.4
642.34033	2.3
643.34662	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	642.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65657	0.4
59.01377	2.0
61.98825	100.0
68.99538	0.6
69.32316	3.3
69.32728	0.6
71.01389	1.6
73.02975	0.6
75.00886	0.6
79.95737	1.6
80.96498	2.9
83.01360	0.8
85.02952	1.3
87.00889	0.8
88.98794	1.3
89.02439	1.0
94.98083	0.9
96.96006	18.1
98.19881	0.7
101.02414	1.0
109.02950	0.9
112.98528	0.5
113.02480	1.1
117.03459	1.2
121.02866	0.4
122.03770	0.5
123.04586	0.6
125.02457	2.4
129.01913	1.0
132.02060	0.5
133.02950	17.3
134.03722	0.9
135.04520	12.8
136.04930	0.5
136.35757	0.4
137.02463	1.0
145.02934	1.0
149.02370	0.5
150.03113	0.4
151.00381	0.8
151.07652	0.7
152.98647	0.7
159.03044	0.9
161.02428	71.4
162.02763	2.6
163.04018	0.6
165.01865	1.1
175.03979	0.7
177.01813	0.7
177.04012	2.8
177.05405	0.6
179.03484	12.3
180.04025	0.5
191.05568	0.4
193.05095	0.4
195.06499	0.5
209.11845	0.9
225.00749	0.5
225.07655	0.5
251.11319	0.7
255.06947	0.4
269.04498	3.5
289.07095	0.4
339.07315	0.5
341.06638	0.5
373.25854	0.8
398.65466	0.4
417.15720	0.5
579.28027	84.1
580.19257	0.8
580.28387	12.4
642.27789	4.3
643.27002	0.8
643.36572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.5
59.01357	2.0
61.98811	2.7
69.03464	3.1
69.91810	1.2
71.01369	1.1
71.05014	1.2
71.62691	1.8
93.03445	3.7
95.05018	1.6
96.31123	1.1
96.96013	3.3
107.08723	1.3
119.08652	9.1
121.10164	1.4
123.08120	1.6
125.09728	2.5
127.11344	1.6
135.08173	1.3
137.09714	12.3
139.11295	4.9
147.08128	1.4
153.50302	1.0
155.10753	2.4
167.10745	2.5
171.10245	34.2
172.10641	1.6
179.10550	1.5
183.10223	2.7
185.11861	9.2
193.08458	5.8
201.11333	3.2
207.09998	72.3
208.10355	3.2
209.11798	1.5
211.13359	22.3
212.13606	1.5
213.11411	2.9
217.15775	1.4
229.19408	1.6
245.19090	5.4
246.36702	1.2
273.18570	3.5
291.19623	8.8
295.16696	3.3
309.20688	100.0
310.20929	7.6
313.17801	65.9
314.18182	5.8
358.26398	1.5
379.19763	1.3
380.19885	1.2
517.51849	1.2
552.46545	1.2
623.37964	2.0
641.40131	16.6
642.40222	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	641.403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56893	1.1
57.03423	3.6
59.01373	2.2
61.98826	3.5
69.03455	3.6
71.01376	1.7
74.08400	1.3
83.04972	2.9
93.03436	2.3
93.07079	1.2
95.05024	1.7
96.95991	3.3
97.02899	1.5
98.20634	2.5
100.08997	1.0
101.02397	1.4
105.55241	1.1
110.43339	1.1
114.25791	1.3
119.08651	9.6
121.10211	2.3
125.09684	5.8
127.11274	3.2
130.52283	1.1
135.08148	1.7
137.08730	1.8
137.09712	21.3
138.10042	1.4
139.11293	6.0
151.11345	1.4
155.10783	3.5
167.10696	3.8
171.10246	63.4
172.10593	1.5
179.10603	1.1
183.10225	2.6
183.13846	4.2
185.11819	13.6
191.06885	1.6
193.08440	12.6
197.11798	1.5
201.11264	4.9
207.09995	71.0
208.10307	3.4
211.13371	63.1
212.13609	3.4
213.11292	4.2
223.09392	1.4
245.18961	5.3
253.09174	2.8
273.18533	4.1
291.19626	16.9
292.20078	1.4
295.16736	4.3
309.20663	100.0
310.21060	8.4
313.17831	79.8
314.18158	5.5
331.14883	1.7
380.80862	1.4
447.22250	4.1
503.28036	1.4
641.40759	29.6
642.41083	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.01357	2.5
60.56456	0.7
61.98805	3.3
67.01875	1.1
68.99558	0.7
69.03442	7.2
69.28401	1.4
69.28803	6.6
71.01350	2.1
71.10725	0.8
78.95894	1.0
81.03455	1.2
83.05006	1.7
85.02930	3.3
89.02423	1.4
93.03428	0.7
95.05016	1.0
96.96011	8.2
97.02940	56.6
97.06557	2.7
98.03243	1.3
98.19900	1.7
99.91322	0.8
109.06560	0.9
110.84043	0.7
111.08189	1.6
113.02399	1.1
119.08648	2.0
121.10229	1.4
125.09717	2.1
127.11251	0.9
135.08055	0.8
137.09711	18.3
139.11263	1.4
150.59081	0.7
151.07651	1.4
165.12805	2.9
171.10252	23.1
177.12759	1.3
179.10513	1.0
183.13828	5.7
185.11742	1.6
191.06917	0.9
193.08432	15.5
193.12286	2.7
195.13908	1.4
199.13297	1.5
207.10013	15.8
209.11644	1.0
211.13367	100.0
212.13684	6.0
215.10445	1.9
219.09906	0.8
219.21886	0.8
221.11807	4.4
223.13326	1.2
225.11528	1.0
233.11557	13.0
235.08171	1.1
236.40132	0.7
239.12842	2.6
245.19182	1.0
247.96437	0.8
248.10242	0.9
253.09309	3.5
261.11017	5.0
273.18457	1.8
287.16382	4.0
291.19656	7.5
295.16730	1.3
309.20670	88.3
310.20941	6.1
313.14276	1.8
313.17761	17.3
314.18158	1.8
323.83389	0.8
331.15186	5.9
331.18781	25.6
332.19220	2.2
375.17828	3.8
429.21460	1.1
432.21494	0.8
447.22208	6.1
623.34460	2.1
641.40234	30.9
642.40649	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	641.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73121	0.4
57.03432	0.8
59.01374	90.8
60.01701	0.6
61.98819	4.1
69.03473	1.4
69.32458	3.5
71.01373	4.1
73.02939	1.3
77.30766	0.4
78.91877	0.5
78.95892	0.9
78.98582	0.4
79.95728	7.9
80.96513	4.9
85.02952	1.6
87.00879	0.7
88.98803	0.7
89.02446	1.4
93.03436	1.0
94.98089	1.2
96.96001	100.0
97.57912	0.4
101.02444	2.7
113.02425	1.1
113.06095	0.4
119.03488	0.7
119.08607	0.5
121.02975	0.7
122.97570	0.5
125.02399	0.8
137.02414	1.2
137.09723	0.5
139.11278	3.9
143.03424	0.8
150.06877	0.6
152.98611	0.5
161.04561	3.0
163.07628	1.1
164.98639	0.9
169.97255	0.4
179.05501	0.5
181.08658	2.4
183.10242	27.2
184.10570	1.1
197.11761	0.7
207.10197	0.6
209.11661	0.6
211.13358	5.0
225.00691	1.4
225.11238	1.0
229.64627	0.4
255.02986	0.5
283.02414	0.4
299.04178	0.8
303.42712	0.4
345.19110	2.7
358.26947	0.4
415.23300	4.7
416.23441	0.4
417.24954	0.8
471.15387	6.8
472.15817	0.5
478.36343	0.6
479.36887	1.5
499.18222	0.7
525.70911	0.4
527.17627	0.9
543.16992	0.5
641.24603	2.5
641.34650	0.8
642.25317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.1
58.00597	0.1
59.01378	1.9
61.98818	0.5
63.92434	0.1
64.15025	0.1
69.03449	0.3
70.15195	0.1
71.01378	1.4
71.22523	0.3
73.02950	0.3
76.32721	0.1
83.05033	0.2
85.02952	0.5
87.00869	0.2
89.02425	1.3
95.01374	0.1
95.10522	0.1
95.64684	0.1
96.95999	0.8
99.00848	0.2
99.39826	0.1
101.02445	1.3
113.02421	0.7
119.03522	0.2
125.02423	0.1
139.04155	0.1
143.03438	0.2
145.05092	0.2
155.10750	0.3
161.04518	0.7
165.12799	0.3
167.10762	0.4
167.14389	0.5
179.05582	0.3
183.13878	6.0
184.14171	0.2
193.12318	1.8
211.13365	100.0
212.13715	5.1
220.14807	0.1
221.15443	0.4
235.08226	1.7
236.10458	0.4
253.09256	3.9
254.09531	0.2
288.95361	0.1
293.17416	0.2
294.17813	0.2
387.25439	0.5
405.26422	0.4
429.21329	0.9
447.22287	5.6
448.22623	0.8
623.34265	1.0
624.34930	0.3
641.35101	0.5
643.48175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
58.21097	0.7
59.01369	10.2
61.98820	65.1
65.00331	1.3
66.06273	0.7
68.99550	2.0
69.03456	3.3
69.43136	1.5
69.43533	4.7
71.01370	9.2
72.99319	1.0
73.02937	3.2
75.00853	1.4
76.18941	0.8
79.95704	1.1
83.01374	2.9
83.05030	1.2
85.02946	7.1
87.00848	1.3
88.98789	1.1
89.02428	3.3
93.03450	8.7
95.01379	1.4
96.96001	7.0
98.95649	1.3
99.00883	1.4
99.04526	0.8
101.02430	3.0
107.01402	1.9
109.02969	2.1
111.08167	0.8
112.98524	2.1
113.02449	5.4
115.00365	1.5
117.03457	1.0
119.05017	1.0
120.66393	0.8
121.02940	9.8
123.04500	5.8
125.02408	3.0
125.09699	1.2
133.02975	1.6
135.04448	1.9
137.02426	3.6
139.03995	71.6
139.11270	1.9
140.04344	1.3
145.02878	1.2
147.04590	1.1
149.06044	1.0
151.00328	2.8
151.07594	1.1
153.05505	0.8
155.10777	0.9
157.01486	1.0
161.02438	1.3
161.04538	1.3
165.01889	0.9
167.03506	3.5
171.10252	2.6
179.10672	0.9
183.04341	0.8
183.10217	11.1
197.11794	2.0
199.13397	1.0
207.10188	0.9
209.11783	1.2
211.03940	1.6
211.13428	1.2
221.11710	1.5
225.11304	1.5
227.03517	1.2
229.14354	1.0
239.12865	5.6
255.02930	16.6
255.05357	1.4
256.03677	5.5
269.10324	1.2
283.02432	10.2
283.05707	1.5
284.03210	90.4
285.03876	15.7
286.04413	1.6
297.04047	3.2
298.04755	2.4
299.05554	100.0
300.05875	8.2
311.05521	1.2
313.03513	0.9
313.07190	1.5
323.05612	1.2
339.25555	0.9
341.06488	2.3
341.12344	2.1
355.24890	1.4
357.26407	4.5
371.24295	4.0
373.25864	16.5
374.26202	1.0
389.25305	2.7
395.07486	1.6
415.27338	1.2
442.05383	13.9
443.05637	1.3
457.07697	97.0
458.08041	9.5
479.33765	1.3
505.97925	1.2
553.16541	0.9
578.13776	1.6
578.26648	1.3
641.18500	17.3
641.34998	12.3
642.18005	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	641.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01373	2.9
59.54883	0.5
61.98819	0.7
67.01886	1.4
70.99154	1.3
70.99493	0.8
71.01365	2.1
72.06548	0.5
81.03487	0.7
83.01386	2.5
83.05014	0.9
85.02946	16.9
87.00883	3.7
89.02432	0.8
93.03452	7.5
95.01391	1.4
96.96004	2.1
99.04501	0.7
101.02421	0.8
109.02947	6.5
111.04523	1.8
119.05025	2.6
120.99654	2.9
121.02957	2.2
122.99240	1.8
123.00866	1.4
123.04503	4.8
125.02457	3.0
127.04003	3.1
128.47525	0.6
130.52568	0.5
133.02954	1.2
135.04500	1.7
137.02460	3.7
139.04012	0.9
143.05023	1.0
145.02925	1.2
147.04477	1.5
149.02440	1.4
151.00284	0.6
151.04001	1.7
155.05026	2.3
159.04517	1.6
161.02428	1.8
161.06056	0.9
162.03282	0.7
163.00394	3.6
163.03973	2.3
165.01892	0.7
165.05559	1.2
171.03011	1.4
171.04535	1.8
173.02441	4.0
173.04585	1.5
173.06003	0.6
174.03210	7.7
175.03967	14.2
177.01993	1.3
179.03526	1.0
181.06549	1.6
182.03725	1.4
183.04463	1.5
185.06035	0.8
187.03992	4.3
189.05545	1.6
191.05602	100.0
192.05945	3.7
195.04526	1.4
196.05244	0.8
197.06125	1.8
198.03246	2.9
199.03984	16.7
200.04503	0.9
201.01929	4.5
201.05579	1.5
203.03325	0.7
203.06969	0.7
205.04997	3.2
207.04489	1.0
209.06068	5.9
210.03195	1.2
210.06416	0.8
211.04008	6.8
212.04684	2.1
213.05542	5.0
214.02715	1.4
215.03529	5.3
217.04984	2.0
223.04001	1.1
224.04755	2.2
225.05551	8.0
226.06213	0.7
227.03481	4.1
229.05074	3.9
231.03035	1.2
235.03989	2.0
238.02704	0.7
239.03488	1.8
240.04218	2.5
241.05013	2.9
242.02205	0.9
242.05544	0.8
243.02960	27.7
244.03381	1.1
245.04576	0.8
247.16953	0.6
251.03503	5.6
252.04050	0.9
253.05034	18.4
254.05580	2.5
255.02904	1.3
255.06572	3.2
256.03561	0.7
257.04468	0.9
267.03088	0.9
269.04572	1.2
271.05936	1.0
273.04001	6.2
276.63986	0.7
279.03000	4.9
280.03473	1.1
281.04517	2.4
285.04065	0.7
289.07098	1.9
293.12424	2.6
295.05951	1.1
297.04010	47.2
298.04459	3.8
299.05106	1.0
305.12320	0.7
353.08755	0.8
363.08698	6.2
364.09219	0.9
381.09726	2.3
387.08420	1.4
405.09714	13.9
406.10208	1.6
407.07736	2.6
408.08044	0.9
423.10818	4.6
426.09366	0.6
431.07788	1.8
449.08707	62.1
450.09024	6.2
489.10449	2.2
578.13751	0.8
641.14966	11.2
642.15320	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	14.2
57.81577	0.4
58.03778	0.5
59.01365	2.8
61.98824	3.1
63.02387	1.2
65.00323	2.2
68.99809	0.6
71.01377	2.4
71.62665	0.6
73.02937	0.8
74.99081	0.6
76.13869	0.5
79.95736	0.5
80.68680	0.5
81.03457	0.6
83.01388	4.8
85.02972	0.9
87.00845	0.5
89.02460	1.6
93.03460	1.6
95.01381	2.8
96.96001	6.2
99.23793	0.5
101.02443	1.4
107.01375	2.9
108.02162	2.3
109.02948	5.3
110.03290	0.5
111.00889	1.4
113.02416	1.0
116.92912	0.5
117.03480	0.8
119.05014	0.9
120.99652	1.3
121.02959	2.1
123.00817	1.2
123.04531	3.0
124.01655	5.5
125.02437	100.0
126.02755	2.2
132.02199	1.0
133.02924	3.1
134.03740	3.5
135.04529	1.0
137.02448	3.8
139.00377	1.5
139.04002	1.7
145.02933	1.6
145.06554	0.6
146.03732	0.6
147.04533	1.8
148.05220	0.5
149.02419	5.8
149.06056	1.0
150.03218	2.8
151.00363	11.2
151.03992	5.7
152.01134	11.1
153.01924	9.4
159.04509	0.6
160.01666	4.7
161.02371	1.9
161.06042	1.5
163.00354	1.3
163.04008	0.8
165.01918	0.6
165.05557	1.0
166.02669	0.5
167.03497	0.9
171.04478	0.6
171.10234	0.8
172.05298	0.8
173.06087	1.4
174.01826	0.5
174.03210	2.0
175.03979	13.5
176.01131	1.8
176.04308	0.9
177.01917	6.7
178.02477	0.6
178.99838	9.6
179.03459	0.6
180.00269	0.5
188.04776	1.7
189.05554	7.7
191.03473	2.7
191.05534	0.8
191.07195	1.1
193.05057	4.2
196.40247	0.5
199.03955	1.9
201.01857	0.6
201.05634	0.5
203.07217	0.8
211.07639	1.8
213.05553	2.0
215.03513	1.2
215.07095	2.7
216.04236	1.8
217.05026	17.0
217.07126	0.8
218.02263	0.7
219.02953	0.8
223.08080	0.5
229.05013	0.7
231.06654	3.2
241.05045	2.8
257.04562	1.2
258.05283	0.9
259.06094	13.7
260.06485	0.8
270.72461	0.5
274.04889	0.6
275.05582	5.6
283.02463	0.5
283.10309	1.0
284.03140	2.7
285.04022	30.0
286.04327	1.9
299.05588	1.2
300.02670	1.4
301.03387	2.3
303.05063	16.7
304.05380	0.8
337.09201	2.9
369.22818	0.6
373.26086	0.8
374.26218	1.1
375.27313	2.1
387.23837	1.0
421.11316	1.6
437.10791	1.6
447.09296	3.6
448.09323	0.8
449.09512	0.8
460.28012	0.8
461.27982	0.6
465.10309	6.9
466.10785	0.7
479.19257	0.6
489.75296	0.5
491.11807	1.6
517.10022	1.2
597.16345	4.0
613.15625	6.5
614.15973	1.5
623.14008	5.8
623.23639	0.7
624.13904	1.0
641.15063	65.5
642.15399	8.7
642.25079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53267	0.3
59.01379	1.7
61.98823	3.4
68.11218	0.3
68.99567	100.0
69.03448	0.6
69.48769	2.2
69.99884	0.5
71.01374	1.2
73.02946	0.8
77.30115	0.3
80.96507	0.7
83.05003	0.4
93.03465	1.3
98.19882	0.5
99.51920	0.3
101.02437	0.3
107.05098	0.3
109.02950	1.3
112.98556	97.0
113.02422	1.4
113.98899	1.1
116.44359	0.3
121.02943	1.2
123.04497	0.7
125.02384	0.7
137.02417	2.3
137.03300	0.3
139.00330	0.3
145.02937	0.4
147.49382	0.3
151.00331	0.4
154.03235	0.3
161.04555	0.4
183.10304	0.4
194.66566	0.3
209.11772	0.3
210.12091	0.3
213.95515	0.3
237.09688	0.6
285.03973	0.7
370.22711	0.3
371.24509	0.6
373.25681	0.9
380.84140	0.3
389.25241	0.3
479.33252	0.7
543.17108	0.5
641.34924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03783	0.2
59.01365	0.4
61.98822	100.0
66.49092	0.2
68.99561	0.4
69.44540	0.5
69.44962	1.0
71.01393	0.3
72.99303	0.2
78.40443	0.2
82.58378	0.2
96.96011	0.7
101.02447	0.2
107.01428	0.2
117.03450	4.7
119.05004	1.0
120.99636	1.0
123.87179	0.2
125.02419	0.4
128.12457	0.2
135.04532	0.2
137.02426	0.4
142.71411	0.2
145.02933	11.5
146.03314	0.3
156.12340	0.2
156.91158	0.2
159.04485	0.4
161.02393	0.5
163.04001	0.5
168.04292	0.2
191.03467	0.3
192.04341	0.2
201.05624	0.2
201.12875	0.2
207.06705	0.3
223.06078	0.4
225.05557	0.2
237.09727	0.2
249.43355	0.2
268.03674	1.8
269.04498	11.7
270.04968	0.8
286.56070	0.2
307.08319	0.3
356.95071	0.2
359.28052	0.2
371.24722	0.2
413.08896	1.4
431.09769	1.8
443.61725	0.2
491.15976	0.4
577.13416	16.6
578.13721	2.6
578.21832	0.3
637.42145	0.2
640.34857	0.4
641.22766	0.4
641.34705	0.3
659.19135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13855	1.2
53.40720	1.2
57.03430	4.3
59.01372	42.8
61.98823	80.5
66.05477	1.3
69.52056	7.4
69.52462	3.1
71.01374	17.3
72.97536	1.7
72.99311	2.0
73.02931	4.1
80.11819	1.1
81.03427	1.3
83.01352	4.4
83.05026	1.8
85.02925	5.2
87.00867	19.0
88.98776	2.6
89.02444	12.8
93.03452	44.4
96.96017	12.5
98.20596	2.6
99.04524	12.4
101.02448	10.6
107.04992	1.8
108.02145	1.9
109.02863	2.4
113.02433	7.2
116.92827	3.5
117.03450	5.0
119.03453	4.8
119.05008	5.2
121.02957	3.0
122.03710	1.4
123.04498	3.4
123.08123	1.4
125.02396	5.0
127.62472	1.3
127.93486	1.5
130.59889	1.3
131.03441	1.4
131.05025	1.5
133.02980	1.5
135.04501	18.5
135.08150	3.1
136.01599	2.4
137.02429	45.5
138.02853	1.8
143.03485	1.5
145.02930	15.7
149.02415	5.0
149.06049	1.9
151.00336	1.3
151.03993	31.5
151.05190	1.7
161.02446	6.1
161.04535	3.2
161.05966	1.9
163.03999	26.9
165.12852	2.4
167.03458	1.6
175.03954	2.0
177.05547	23.7
179.03482	71.7
180.03824	1.7
191.05556	3.7
191.10748	2.4
199.87509	1.3
205.04906	1.6
207.03000	7.0
207.13788	6.3
209.04506	4.4
209.11792	16.3
223.08154	9.5
225.14911	3.1
235.13335	5.4
239.05551	4.4
249.03944	4.6
251.12796	3.9
269.13867	17.6
279.05011	5.0
281.12390	4.0
285.03967	6.5
286.04224	2.6
287.04526	2.2
309.06149	17.2
310.88751	1.4
329.23386	1.4
355.24942	1.6
358.30945	1.5
369.08206	28.2
370.08646	1.9
371.24435	1.5
373.25760	9.8
375.27444	6.7
391.27011	1.4
431.86505	1.3
459.27557	26.6
460.28003	3.5
463.40298	1.3
507.22260	4.2
515.00824	1.4
524.33075	1.5
551.20972	1.7
639.23004	100.0
639.33868	17.6
640.23407	12.3
640.33191	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	639.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
59.01382	6.4
61.98824	47.0
65.91251	0.8
70.15841	4.2
71.01381	4.2
81.03467	2.4
83.01368	2.4
83.05020	3.5
85.02932	1.3
89.02450	3.0
93.03448	28.6
94.92499	1.9
94.98103	1.1
96.96021	3.1
98.20634	1.2
101.02450	2.5
109.02956	6.1
111.04502	10.3
113.02462	2.0
119.03489	1.1
119.05008	9.0
121.02901	1.6
123.04507	1.7
125.02434	17.9
126.90462	1.4
131.05013	1.6
135.04504	3.1
136.03401	1.0
137.02428	23.0
138.02820	1.3
145.02950	3.4
145.06561	1.3
147.04509	11.8
149.02419	7.9
156.33556	1.0
157.06607	1.2
159.04469	12.6
161.02408	2.9
161.04648	1.1
161.06036	15.0
165.01846	2.2
169.06656	1.3
171.04538	1.5
171.10283	1.9
177.01834	2.2
181.06587	1.3
183.04471	2.9
185.06056	11.6
187.03929	7.0
187.07642	6.7
196.05283	3.3
197.06052	11.2
201.05644	1.1
203.07178	3.1
207.10255	1.0
209.06073	6.8
209.11829	11.3
211.04013	3.7
211.07536	2.0
211.13373	7.4
213.01976	2.1
213.05553	3.5
215.07144	2.9
221.06096	1.6
225.05525	3.1
227.03418	1.8
227.07022	6.0
229.05020	5.2
230.05638	1.0
231.06561	10.7
237.05492	1.2
239.07077	4.0
241.05003	1.9
243.06631	6.8
253.05090	1.1
253.09381	1.0
255.06613	3.3
269.04282	1.7
271.06046	7.0
283.06018	5.9
289.06979	0.9
291.10245	4.5
295.06036	2.0
301.08606	1.5
309.11340	2.4
315.10205	16.6
316.10461	1.6
333.11166	2.2
335.09070	1.3
336.10141	1.4
337.10812	9.6
342.27240	1.9
349.10699	2.2
357.26141	1.1
361.10724	1.2
373.25958	3.9
377.10226	12.8
378.10461	1.4
385.23819	1.3
389.10284	5.8
409.05600	1.0
421.14420	1.3
449.19870	1.0
465.13263	1.9
483.14426	100.0
484.14774	13.3
489.16013	1.2
501.15482	6.2
527.13440	2.6
595.20288	1.1
621.32861	2.5
639.18439	7.8
639.34412	3.0
640.18256	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1556
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
50.07116	0.5
51.65098	0.4
59.01381	0.7
63.96235	0.6
65.00330	0.9
65.95141	0.4
70.20332	0.5
71.17697	1.3
73.98929	0.5
75.56863	0.4
83.01376	0.7
83.30217	0.4
96.95976	0.7
107.01344	1.5
120.99630	6.6
121.03004	0.4
123.97142	0.4
124.01716	0.5
125.02407	0.7
135.98349	1.0
139.03818	0.5
143.04999	0.9
147.04462	1.4
147.08614	0.6
151.00357	7.8
151.03940	0.8
159.04439	0.7
163.00359	2.8
164.01120	0.6
165.05518	0.6
171.04407	0.9
173.02409	0.4
177.01935	0.5
178.02745	0.5
178.99799	3.8
182.48615	0.4
187.03943	1.5
199.03955	1.9
203.03459	4.8
204.04002	0.7
209.04628	0.5
214.02716	1.1
215.03473	4.2
217.01382	1.2
231.02966	4.2
241.01349	1.1
242.02208	1.7
242.45480	0.6
243.02972	7.1
244.03603	0.6
259.02426	13.8
260.02994	0.6
269.00848	0.9
270.01572	1.7
271.02441	17.2
272.02850	1.3
285.04031	1.7
286.01147	1.3
287.01926	26.8
288.02274	2.9
298.01102	1.0
301.03448	2.2
302.04172	0.6
315.01425	48.3
316.02063	13.9
317.02484	1.1
330.03751	54.9
331.04477	30.9
331.08612	0.9
332.04840	1.8
507.74582	0.5
536.51483	0.5
607.13135	0.5
639.15570	100.0
640.15814	13.6
640.26190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20308	0.3
56.74226	0.3
59.01368	0.7
69.81252	0.3
71.01376	0.6
71.61825	0.4
85.02928	1.2
89.02451	0.3
89.03957	1.2
93.03448	8.5
95.04995	0.3
96.96001	1.6
101.02408	0.5
105.03465	2.5
109.02933	0.6
119.05003	2.8
120.99645	5.8
121.02917	0.6
125.02377	0.8
133.02940	6.4
137.02429	16.5
138.02766	0.7
149.02402	0.9
157.80736	0.3
163.03941	0.5
176.01140	0.9
177.01903	100.0
178.02255	3.8
191.05589	7.0
285.04388	0.7
289.07196	0.5
299.07626	2.5
300.02707	0.5
301.03430	0.8
339.07153	33.6
340.07443	1.8
353.08975	0.5
463.09042	0.6
477.06735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33285	0.3
59.01382	1.0
65.43867	0.3
66.30816	0.3
69.53405	2.4
71.01379	1.0
73.02960	0.5
76.70485	0.3
82.00461	0.4
82.98195	0.4
85.02940	4.9
85.06538	0.4
87.00869	0.9
90.45707	0.3
93.03430	2.2
96.95993	0.8
98.19867	0.7
101.02415	0.6
109.02962	0.4
111.04492	0.8
119.05014	34.0
120.05363	1.5
120.99641	100.0
122.00017	1.8
122.99204	1.3
123.04484	0.3
125.02390	1.0
127.03985	1.4
133.02951	0.6
135.04532	0.7
153.02026	0.4
154.91733	0.3
161.02438	1.2
163.03984	6.6
171.03020	0.5
173.04544	0.5
176.81204	0.3
179.03430	0.8
181.05032	0.6
191.05583	74.9
192.05951	2.4
223.06175	0.4
230.00240	0.3
241.08478	0.3
285.04318	9.3
286.04767	0.8
289.07083	0.4
293.12369	1.2
300.02640	0.8
301.03363	0.8
342.57941	0.4
353.08731	9.6
354.08875	0.8
463.08722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1349
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
58.54457	0.4
59.01375	2.9
61.98821	1.5
63.02422	0.6
65.00322	1.1
71.62846	0.5
71.74455	0.5
72.99306	0.5
73.02920	0.5
74.99072	0.4
83.01374	0.9
83.05006	0.5
85.02962	1.1
88.98769	0.5
89.02436	1.7
96.95968	2.4
99.04497	1.1
101.02440	1.7
107.01394	2.8
108.02171	0.6
109.02970	0.8
113.02399	0.8
117.03422	0.9
118.98059	0.6
119.03472	0.5
119.04979	0.6
120.99644	0.6
121.02943	0.9
125.02421	1.8
132.02133	1.2
132.33113	0.4
133.02919	1.8
134.03769	2.7
135.04483	1.7
137.02405	0.7
145.02959	1.9
148.01649	0.5
149.02422	6.8
150.03178	1.7
151.00362	7.1
160.01622	5.0
160.66609	0.4
161.02443	4.8
161.04530	0.7
163.04027	1.1
175.03979	2.3
177.01962	0.7
179.03548	1.0
179.05424	0.5
191.03505	1.8
191.05556	0.8
193.04979	0.6
199.03954	0.7
201.05556	0.6
203.03503	0.7
204.39296	0.5
215.03448	1.2
227.03488	1.7
233.04572	1.0
235.13425	1.1
239.03572	0.5
240.32697	0.5
243.02876	1.7
255.02895	1.5
256.16284	0.4
257.04382	0.7
271.02499	3.3
272.03238	7.2
273.03851	0.6
283.02310	1.2
283.10342	3.1
299.01950	2.0
300.02713	60.8
301.03470	73.9
302.03860	4.2
313.03647	0.5
315.05087	7.6
316.05383	0.6
323.07507	0.6
329.02826	0.9
343.04501	0.9
373.25916	5.5
445.07657	0.6
459.27438	1.3
463.08701	5.6
579.29254	0.5
639.13458	100.0
640.13855	16.1
640.22351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	10.2
59.01377	0.8
61.98797	0.5
67.65460	0.4
68.91075	0.5
69.55788	1.0
69.56211	2.1
70.02969	4.4
71.01357	0.5
72.00900	3.0
85.02959	1.1
91.05511	3.3
96.96001	1.7
113.02438	1.1
114.02859	0.5
119.05035	0.4
133.53816	0.4
147.04507	19.2
148.04865	0.9
164.07146	52.2
165.07460	2.2
175.02516	0.7
191.05597	0.7
200.66483	0.4
206.08191	100.0
207.08534	5.2
250.07242	1.4
256.03171	0.5
285.03732	0.6
298.04382	0.8
299.05188	0.7
300.05768	0.6
462.11227	1.1
549.91498	0.5
638.15784	0.6
638.37390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.119
Annotation	Herbacetin 3-glucuronide-8-glucoside
Peak:m/z	Relative Intensity
52.08826	0.5
52.12954	0.4
57.03464	0.9
59.01381	4.9
63.02399	0.4
65.00356	0.6
69.70846	2.7
71.01359	3.8
72.99325	0.9
81.03449	0.4
83.01427	0.8
85.02947	3.8
85.06609	0.7
87.00890	1.1
89.02438	2.9
93.03477	1.0
95.01399	0.6
95.05063	0.6
96.96045	1.4
97.02995	1.0
99.00925	1.2
101.02463	1.4
102.11623	0.5
107.01435	1.5
108.02227	0.5
109.02956	4.1
113.02422	3.6
113.06100	0.8
115.00417	0.4
115.07668	0.5
119.03546	1.1
119.05071	1.5
120.99649	4.3
121.02988	1.3
123.04508	2.4
125.02455	3.5
131.07138	7.3
131.08000	0.6
135.00935	0.6
135.04541	1.1
137.02481	1.5
139.04001	0.7
149.02480	1.2
151.00360	5.8
151.04028	1.3
159.04565	0.7
161.06015	0.9
163.00380	1.3
163.04037	0.9
164.01134	0.8
165.01944	1.0
167.03535	0.5
169.01396	0.8
173.06189	0.5
174.03242	0.7
175.04048	0.8
177.01874	0.6
178.99838	4.6
179.03516	1.0
187.04051	0.6
188.04819	1.1
190.02863	1.0
190.99838	0.5
191.05591	7.8
193.01387	0.5
196.94865	0.5
198.03185	0.8
203.07057	2.0
205.04980	0.7
211.03918	0.6
216.04346	0.5
221.08087	0.4
226.02757	4.3
227.03482	1.7
243.02943	10.9
244.03276	0.8
245.08171	2.5
254.02142	5.0
255.02934	6.4
256.03442	0.5
256.13919	0.4
257.04550	0.5
267.02832	0.5
271.02441	47.7
272.03009	4.1
285.04123	0.6
289.07126	13.8
290.07562	1.0
293.12399	18.2
294.12863	1.0
294.65909	0.4
299.01978	1.1
300.02719	63.9
301.03412	21.0
302.03842	1.1
314.04175	0.9
343.04605	1.0
353.08514	1.2
391.77283	0.6
414.79242	0.5
447.57935	0.4
463.08765	100.0
464.09106	8.4
477.06433	1.0
505.10062	2.9
533.08923	0.5
535.10699	1.8
547.11255	0.5
559.10931	1.4
639.11578	16.2
640.11664	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56429	0.3
57.29247	0.3
59.01373	23.4
60.01680	0.3
69.28137	2.5
71.01366	2.4
73.02928	0.5
83.01409	0.4
85.02952	1.1
87.00868	1.1
88.98795	0.4
89.02433	0.9
93.03445	0.4
93.50959	0.3
93.51534	0.3
96.96035	1.9
98.89661	0.3
101.02421	1.4
104.44595	0.2
112.71298	0.3
113.02463	0.7
117.03454	20.3
118.03793	0.6
119.03511	0.7
119.05013	11.0
120.05360	0.3
121.02950	0.6
129.96745	0.3
133.06567	0.6
134.03696	0.4
145.02933	100.0
146.03264	3.4
161.04544	0.4
162.03195	0.5
163.03987	12.2
164.04333	0.4
177.05539	1.1
179.05693	0.4
191.05608	2.0
192.05974	0.5
193.06255	0.4
205.05064	2.0
268.07486	0.3
296.06998	0.5
308.06854	0.7
323.09238	1.1
324.06396	0.4
324.09897	0.5
338.11533	0.6
339.08646	3.5
354.11072	1.4
355.11639	0.3
369.13367	4.2
370.13766	0.4
415.13913	88.7
416.14304	9.1
457.14871	0.6
637.21075	4.0
638.21002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02635	0.4
52.01949	0.4
58.02967	15.4
59.01378	6.9
70.02972	3.9
70.42597	1.5
71.01376	1.8
72.00902	3.0
85.02962	0.6
89.02434	1.3
91.05521	3.5
96.95988	1.8
98.20594	0.5
101.02433	1.6
103.88735	0.4
109.24148	0.4
113.02446	1.1
119.03518	0.5
125.02425	0.5
135.04515	0.6
147.04507	17.2
148.04750	0.4
161.02376	0.5
162.09189	0.5
163.11319	0.5
164.07144	54.4
165.07454	1.6
171.96915	0.4
191.05577	0.5
193.01299	1.0
206.08192	100.0
207.08504	4.0
207.10310	1.4
217.56981	0.4
250.06990	0.9
251.09599	0.8
301.03513	2.1
387.16565	23.4
388.16876	1.9
427.04562	0.5
477.06659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	10.0
59.01368	0.8
69.31850	0.3
70.02972	4.7
70.89970	0.6
71.01384	0.8
72.00904	2.2
72.99308	0.4
80.92593	0.3
85.02952	1.3
87.00883	0.5
88.98800	0.5
89.02474	0.5
91.05516	3.6
96.95998	2.2
99.00881	0.5
103.05566	0.6
110.90270	0.4
113.02459	2.2
116.27554	0.3
117.01968	0.4
147.04509	20.0
148.04872	0.5
150.03146	0.4
162.09219	0.6
164.07143	55.7
165.01871	1.0
165.05594	1.4
165.07463	1.9
165.82564	0.3
166.05917	0.4
175.02414	1.2
180.04265	0.5
195.06577	1.6
196.07007	0.6
206.08191	100.0
207.08598	4.7
250.07184	1.4
255.02959	1.2
283.02502	1.1
284.03207	1.6
297.04041	1.3
298.04752	1.7
299.05569	2.6
461.10803	3.1
475.08728	0.9
557.81409	0.4
587.96503	0.4
637.14087	1.1
655.95660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.3
58.00592	2.2
59.01373	71.2
59.65920	1.2
61.98822	10.2
64.32222	1.3
69.03439	6.9
71.01377	100.0
71.63355	1.6
73.02932	3.3
77.18060	1.5
79.44906	1.5
83.05031	2.4
85.02959	3.7
87.00893	1.7
87.04512	1.3
88.98824	1.9
89.02441	5.9
93.03449	14.5
94.03251	1.4
95.01365	1.5
95.05010	16.7
96.96008	9.9
99.08166	1.4
99.10943	1.5
101.02444	5.9
109.06577	2.0
111.04507	2.2
111.08162	1.9
113.02442	4.7
113.32552	1.6
119.03469	3.1
119.05006	2.0
123.04498	2.1
127.07671	7.9
137.02478	1.7
137.06100	3.8
139.11278	15.8
145.02940	8.4
155.07115	4.5
157.05045	68.5
158.05412	1.5
161.04549	3.9
165.09200	2.5
171.10185	1.6
183.10245	88.7
184.10580	2.9
197.11789	15.5
211.06088	44.2
225.11238	17.0
225.13240	2.1
226.11673	1.8
255.08690	1.8
273.09735	5.9
279.14493	2.3
301.09265	18.7
359.28235	1.7
373.25983	3.5
439.19791	6.0
467.19150	15.2
530.06854	1.7
599.28503	5.3
631.34900	2.1
635.30176	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	635.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
61.01008	1.4
69.03448	1.9
70.24200	0.7
71.01370	5.8
71.62782	1.4
72.99295	0.8
73.02964	1.1
75.00853	0.6
79.95727	15.0
81.03471	1.4
83.01399	2.5
84.01365	1.1
85.01016	17.6
85.02964	0.9
95.05023	2.1
95.95226	4.0
96.96000	23.1
97.02945	2.9
98.95570	0.8
101.02457	1.6
101.06070	42.1
102.06407	1.2
110.97580	0.8
112.98804	2.4
113.02458	1.8
114.38136	0.7
115.02088	2.1
115.07650	10.9
125.02438	2.7
127.02090	2.2
136.01645	0.9
143.07104	1.4
145.01416	1.7
145.03105	4.6
148.54427	0.8
183.04483	1.0
184.09279	0.7
187.04239	1.7
289.11008	1.6
327.08905	1.2
403.16025	8.3
404.16498	1.2
428.16040	1.6
429.15689	100.0
430.15997	8.3
437.09286	1.5
438.09845	1.0
447.16763	1.1
617.19202	2.1
635.19391	60.0
636.19659	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	635.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50789	0.6
53.90654	0.6
59.01373	55.7
61.98838	0.7
69.67367	4.0
71.01376	2.1
71.05013	2.2
73.02904	0.8
79.95730	0.8
84.09606	0.6
85.02937	2.3
87.00869	0.7
87.04497	1.4
93.03461	1.9
96.96003	28.4
98.95611	3.8
98.96267	0.5
99.04500	9.0
99.08143	2.6
101.02452	1.4
103.00359	8.5
113.02486	1.0
115.04010	5.8
115.07643	1.1
117.05566	5.8
120.99677	0.7
121.02958	1.0
125.02426	2.9
137.02396	1.1
143.07127	3.1
150.03177	1.4
151.54495	0.6
161.08177	100.0
162.08511	2.8
165.01909	1.6
165.05519	2.0
167.03532	0.7
173.04494	0.8
180.04247	1.2
189.11403	0.9
191.05629	2.8
195.06609	2.6
203.09235	22.1
226.06403	0.8
229.05161	0.9
231.06554	1.2
245.04567	0.9
247.08171	1.5
289.06989	1.0
387.16519	2.3
448.67389	0.9
599.15521	1.3
635.15509	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	633.149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
68.29706	0.2
69.60853	1.6
72.33144	0.2
72.99317	0.3
79.14024	0.2
79.95733	9.2
80.96513	0.8
82.52309	0.2
85.95816	0.2
93.03460	0.5
93.98859	0.2
95.95234	0.6
96.96004	100.0
97.95932	0.4
98.19866	0.5
101.02418	0.4
104.13504	0.2
105.41451	0.2
107.05042	0.4
121.02935	0.9
123.04532	2.6
125.02430	0.4
131.07118	0.8
135.04489	0.8
137.02429	0.5
138.97050	2.9
191.05591	2.3
192.05943	0.3
211.07739	0.4
215.00009	0.3
229.08722	0.5
259.01257	3.9
289.07233	0.5
303.08945	0.3
365.05371	0.6
471.09647	7.0
472.09958	0.7
633.14838	48.8
634.15198	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	633.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98813	0.5
67.74754	0.2
79.95726	2.8
87.27897	0.3
96.95998	100.0
98.96407	0.2
103.44709	0.2
113.92638	0.3
114.99865	0.2
129.54251	0.2
172.85376	0.2
340.37924	0.2
535.32800	3.3
536.32709	0.4
633.30469	0.7
634.30341	0.2
658.53436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18560	0.7
58.00575	0.8
59.01375	26.4
66.86894	0.6
68.55788	0.6
71.01376	16.4
71.60445	1.2
81.58445	0.5
83.01364	1.2
85.02511	0.7
85.02946	3.7
85.88856	0.5
86.97500	0.7
87.00889	0.8
87.36114	0.6
87.40610	0.6
89.02429	17.5
95.01366	2.5
96.95976	1.1
101.02435	12.1
108.02163	25.0
109.02963	6.9
113.02448	7.2
119.03488	8.2
121.02927	0.7
131.03519	1.2
137.02394	1.5
151.03983	0.8
152.01137	22.6
153.01909	7.2
179.05582	1.0
221.37473	0.6
296.95590	0.7
315.07178	33.3
316.07458	1.8
317.07785	1.1
319.10294	100.0
320.10596	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	633.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62945	0.3
53.31693	0.4
59.01371	0.8
71.01379	0.6
71.63477	0.4
79.95727	8.4
80.96502	0.9
89.02445	0.6
96.96002	100.0
97.95972	0.4
102.16792	0.3
108.16013	0.3
121.02952	2.6
123.04520	3.9
125.02401	1.2
135.04459	0.8
138.97075	2.1
165.05537	0.4
191.05595	0.4
203.00233	2.9
241.00128	0.5
241.21582	0.4
255.08821	0.4
259.01227	3.9
365.05411	21.3
366.05667	1.5
471.09583	3.3
633.14807	55.2
634.15234	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	633.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14666	0.2
59.01370	4.3
68.50027	0.2
69.44341	1.5
71.01373	0.4
72.99280	0.2
78.18366	0.2
79.95731	5.6
80.96511	1.6
85.02926	0.2
85.06567	0.8
89.02434	0.4
93.03458	1.1
96.95998	100.0
97.95927	0.4
101.02496	0.3
113.02438	0.2
113.06076	1.7
119.03457	0.2
119.04993	0.3
121.02924	0.6
123.04494	0.6
125.02379	0.4
131.07124	9.4
132.07425	0.3
137.02408	0.2
138.97052	5.3
152.15334	0.2
173.08156	4.8
173.09634	0.3
191.05498	1.1
200.82991	0.2
203.00185	0.3
227.06947	0.2
229.08624	0.5
241.08644	0.3
258.98535	0.4
259.01233	6.6
355.94843	0.2
361.12833	0.3
365.05487	1.3
383.96069	0.2
418.75314	0.2
471.09363	1.0
475.52216	0.2
488.59143	0.2
633.14813	36.0
634.15125	4.4
639.57141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42976	0.1
50.80542	0.1
57.03451	0.3
59.01377	0.5
61.98822	100.0
67.99522	0.1
71.01373	0.7
71.63349	0.1
73.02935	0.2
83.01407	0.2
83.05032	0.3
83.59530	0.1
85.02944	0.3
88.98795	0.3
89.02443	0.2
96.95999	0.9
101.02443	0.4
103.00399	0.2
105.01941	0.2
109.02950	0.3
111.04525	0.2
113.02464	0.3
114.36237	0.1
117.03411	0.1
121.02943	0.3
123.04514	0.2
123.84451	0.1
124.01698	0.1
125.02425	1.0
125.09725	0.1
126.02766	0.1
129.24973	0.1
145.02921	0.8
155.03464	0.2
161.04570	0.3
163.03970	0.2
171.10260	0.4
209.11763	0.1
223.43486	0.1
232.06026	0.1
236.79025	0.1
259.06137	0.2
271.24954	0.1
275.11322	0.2
277.12848	0.8
285.04019	0.4
286.04245	0.1
289.07071	0.1
303.05014	0.2
307.08160	0.2
355.25073	0.3
371.24442	0.3
372.24136	0.2
373.25916	1.6
385.04169	0.1
407.20810	0.2
431.13300	0.2
463.08466	0.2
532.08722	0.1
569.16522	0.2
595.14624	0.3
596.15228	0.9
633.31927	0.5
659.41315	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	632.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98822	100.0
70.55843	0.1
71.01356	0.3
83.05012	0.2
95.92694	0.2
96.96016	0.6
101.02407	0.2
104.09077	0.1
111.04544	0.2
116.09482	0.1
116.31708	0.1
119.05096	0.2
121.02953	0.5
122.03246	0.2
125.02475	0.3
137.02515	0.2
138.23161	0.1
155.03444	0.2
218.40875	0.2
224.12729	0.1
298.11829	0.1
305.07053	0.2
646.52264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04044	0.3
59.01371	1.6
61.89209	0.3
71.01387	0.5
71.62949	0.4
79.95729	15.9
80.96497	0.9
89.02431	0.5
93.03439	1.8
95.95213	0.4
96.96000	100.0
97.75841	0.4
101.02451	0.3
107.05014	0.8
115.65998	0.3
119.05034	0.3
121.02929	4.2
123.04512	8.1
125.02395	0.8
131.07086	1.0
135.04475	1.1
137.02425	1.5
138.97084	3.4
145.02924	0.4
147.04489	0.8
149.99609	0.5
152.01196	0.5
165.05576	0.6
167.03465	0.6
173.08246	0.8
179.03458	0.8
197.81700	0.3
203.00179	2.9
207.02873	0.5
255.08725	0.5
259.01242	6.4
285.03998	0.4
365.05420	27.3
366.05457	1.9
398.49167	0.4
471.09589	2.9
513.70325	0.4
633.14807	64.7
634.14618	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27465	0.5
52.09809	0.6
59.01366	1.8
61.98817	1.8
70.90106	1.3
73.02936	6.5
73.61220	0.6
75.00880	1.7
99.00906	3.3
99.92569	12.2
105.58616	0.6
105.81305	0.6
116.07110	0.7
116.92849	100.0
116.97239	14.9
117.01929	15.0
117.05547	3.3
117.91480	0.6
117.92858	4.6
142.26971	0.6
190.13077	0.6
215.70784	0.6
277.21741	1.5
314.84079	0.6
450.49197	0.7
541.30615	1.0
631.31897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08789	0.3
57.03429	0.3
59.01343	0.7
65.03947	0.5
69.04709	0.3
71.01389	0.4
73.02953	0.3
75.00873	2.0
81.03445	5.2
83.01402	0.3
83.05016	22.5
83.44211	0.3
93.03458	2.4
101.02438	0.7
103.00374	2.3
103.04027	1.5
107.05017	0.7
109.02943	11.4
111.04530	1.2
114.58337	0.3
121.02943	100.0
122.03278	2.4
123.04507	7.3
127.03986	0.8
137.02426	17.5
138.02800	0.3
155.03494	8.0
187.07626	0.5
202.44029	0.3
211.07689	0.4
212.39999	0.3
277.13077	0.6
371.24304	1.4
387.11142	0.4
467.43115	0.3
509.14453	18.5
510.14743	2.0
593.30103	0.4
631.18103	8.1
631.28003	0.4
631.33789	0.5
632.18689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	13.6
59.01377	2.6
60.61526	0.5
61.98827	4.9
65.00314	4.0
68.99839	1.0
69.51991	1.5
69.52402	3.2
71.01376	2.6
73.02925	0.9
81.03452	0.8
83.01373	5.7
84.95089	1.4
85.02946	0.9
89.02460	1.1
93.03429	0.8
95.01380	4.8
96.95995	14.9
101.02425	1.4
107.01374	5.6
108.02143	0.8
109.02924	4.5
111.00883	1.7
113.02435	0.9
115.70435	0.6
117.03430	2.2
119.05010	1.9
121.02942	2.5
122.03766	0.9
123.00870	2.2
123.04515	4.2
124.01676	7.9
125.02434	100.0
126.02782	2.5
133.02916	1.3
134.06064	1.4
135.04503	8.9
137.02440	4.9
139.00348	1.5
139.03961	1.5
145.02931	5.0
146.03679	0.8
147.04593	1.4
149.02466	4.4
150.03209	3.3
151.00357	22.1
151.03970	7.7
152.01135	14.9
153.01936	5.7
161.02414	2.5
161.04610	0.8
161.06023	1.3
163.00336	1.9
163.03979	2.1
165.01961	0.8
165.05559	1.3
167.03464	0.7
171.04362	1.3
172.05228	0.6
173.06004	1.7
174.03195	2.0
175.03964	7.2
176.01086	2.8
177.01906	5.0
178.99857	7.8
181.01395	1.3
185.06012	0.8
187.03979	0.9
187.07484	0.7
188.04774	1.8
189.05577	5.4
191.03481	2.1
191.07153	0.7
193.05032	3.0
199.03842	1.8
201.01891	0.9
201.05379	0.9
203.07071	1.7
209.11877	0.8
213.05525	1.1
215.03520	1.1
215.07121	2.0
216.04242	1.5
217.05009	11.2
219.02994	1.1
229.04858	0.7
231.06543	2.0
235.05869	0.8
241.05009	2.8
243.06549	1.0
257.04446	1.0
258.05029	0.6
259.06027	11.2
260.06366	0.9
274.04706	1.4
275.05521	6.3
276.05734	0.6
284.03250	2.3
285.03995	28.6
286.04300	2.6
287.05487	3.4
303.05008	8.7
307.08099	1.9
375.27213	1.3
437.10724	1.8
447.08823	1.0
465.09979	2.2
469.11044	1.0
587.21289	2.0
593.12756	1.4
593.35089	0.8
595.14514	10.0
595.33087	1.2
596.14709	0.9
603.20740	13.8
604.20752	1.8
613.18890	7.6
614.19312	1.4
618.16357	0.7
631.20044	89.4
632.20355	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	631.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.1
70.16666	0.2
70.17059	0.3
79.95730	3.0
80.03171	0.1
82.73698	0.1
83.85939	0.1
89.73986	0.1
96.96000	100.0
97.95928	0.3
121.08293	0.1
151.00345	0.1
161.74777	0.1
163.83372	0.1
176.11147	0.1
222.91476	0.1
242.86838	0.1
284.03253	1.2
285.03973	2.6
286.04395	0.2
303.41092	0.1
312.27557	0.1
489.10306	6.3
490.10648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50732	0.3
54.45248	0.4
57.49764	0.3
58.48899	0.3
70.67844	0.8
71.01385	1.7
72.87150	0.4
73.02932	0.7
85.02951	1.8
87.82851	0.4
91.67570	0.3
95.01382	0.9
101.02428	0.8
108.02167	53.4
109.02965	16.4
110.03295	0.5
113.02425	0.8
121.02962	0.5
123.00887	0.6
123.04589	0.3
133.02930	0.8
138.35162	0.4
151.03978	0.9
152.01137	49.7
153.01941	18.9
154.02275	0.4
163.03979	1.5
164.35939	0.3
165.01872	1.4
181.05034	0.5
195.42712	0.4
209.81284	0.3
220.18417	0.4
225.04080	0.6
315.07178	100.0
316.07462	5.9
524.86694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90376	9.8
51.20676	9.6
59.01367	15.7
61.98820	20.5
65.22295	8.9
71.62463	11.6
71.62861	15.4
85.36138	10.1
88.10828	10.7
96.96024	41.7
101.85554	10.2
102.66422	11.0
246.74495	10.7
269.21136	11.6
287.22260	100.0
289.24707	12.0
341.32742	11.4
557.44128	73.5
586.62927	10.7
627.48004	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	627.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.8
59.01372	13.4
61.98825	57.7
63.99255	1.8
68.99557	10.2
71.01376	12.2
71.63930	2.0
73.02932	4.4
78.95916	4.2
80.96496	3.4
83.01389	3.6
85.02949	6.3
89.02439	4.4
93.03469	3.2
96.96013	15.7
101.02466	5.5
108.02185	2.1
109.02947	58.4
112.98529	10.1
113.02465	4.4
121.02954	5.0
123.04510	2.2
125.02464	7.7
133.03011	2.4
134.03760	7.1
136.05319	3.1
137.02434	7.2
145.02922	4.7
149.06091	3.7
151.07631	16.0
152.99539	3.7
160.01643	17.2
161.04594	6.4
171.10226	2.4
175.03966	24.3
193.04994	4.6
200.04945	1.9
209.11751	3.0
229.14458	2.3
235.11786	15.4
251.11392	3.1
269.13992	3.8
271.08289	2.5
355.24814	18.3
357.26477	2.4
359.28152	5.3
373.25919	35.9
374.26480	2.1
375.27496	3.7
407.01791	1.7
447.31119	2.5
465.32455	4.4
486.59970	2.0
505.21091	2.6
573.27045	2.3
591.28113	25.7
591.37140	3.7
592.28827	3.1
627.36841	100.0
628.36908	14.4
656.99731	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	627.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59964	0.3
57.03427	1.5
59.01371	2.8
61.98830	3.3
69.03441	0.7
71.01369	7.8
71.63168	0.4
72.99281	0.4
73.00095	0.3
73.02950	2.5
79.95741	0.5
80.96510	0.6
81.03425	0.8
83.01377	1.0
83.05020	0.4
85.02940	4.6
87.00879	0.6
88.98789	0.8
89.02417	1.0
93.03463	0.7
95.01364	2.5
96.95977	3.1
97.06585	0.7
98.95568	0.7
99.00858	1.4
99.04502	0.4
101.02421	4.8
107.01382	0.9
108.02168	11.7
109.02943	17.3
113.02413	4.0
119.05013	0.5
121.02919	0.7
121.10136	0.5
122.03712	1.0
123.00871	1.3
123.04517	0.6
123.08150	0.5
125.02435	2.3
125.09690	1.7
127.11269	1.2
133.02940	0.5
134.03760	0.6
135.04507	1.8
137.02419	0.7
137.09674	1.0
143.03439	0.9
145.02910	0.6
151.00356	2.1
151.03993	1.1
152.00676	0.5
153.12921	0.5
155.10718	2.3
159.02911	1.2
160.01643	0.6
161.04538	16.7
167.03387	0.7
169.12372	0.5
171.10237	5.6
175.03922	1.0
179.05573	0.4
185.11766	1.1
191.07120	0.5
201.14984	0.5
215.12830	3.0
217.14430	0.7
229.14473	1.9
230.15240	0.5
235.08153	1.5
237.09782	4.9
265.10574	0.4
271.08209	10.6
272.08588	0.7
285.04041	3.7
286.04694	0.4
287.05411	0.5
327.21820	0.6
337.23782	1.6
341.23340	0.5
343.24731	2.4
353.23172	1.2
355.24823	6.8
371.24313	4.0
373.25885	100.0
374.26303	8.1
415.26816	0.7
457.28735	0.4
465.11761	1.2
465.21286	0.5
465.32101	1.7
469.28021	1.0
517.30109	1.0
627.16327	1.1
627.33356	6.7
628.33276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25896	1.3
58.37838	1.3
59.01376	80.4
71.01371	2.3
71.62511	1.7
81.87652	1.3
84.84364	1.3
88.98809	2.0
96.05613	1.3
96.95973	2.8
118.98067	1.5
121.02917	4.3
122.03723	6.6
131.07098	7.3
135.04543	2.2
149.02425	24.5
150.03217	59.9
151.03767	1.5
161.02406	7.7
161.35730	1.5
164.04774	8.4
165.05551	93.3
166.05920	3.5
173.08171	2.7
176.04758	5.9
179.03481	14.3
180.04199	5.8
194.05827	16.9
195.06607	100.0
196.06944	5.0
209.08167	40.9
210.08501	2.8
342.10989	6.5
357.13397	47.9
358.13562	4.1
405.15497	37.9
406.15863	3.7
416.87439	1.6
465.08752	1.7
569.35852	1.6
627.15131	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	627.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.8
58.00563	2.5
59.01374	100.0
68.21129	1.3
69.51537	5.5
71.01376	51.9
72.99291	3.6
73.02934	2.7
81.03440	2.4
83.01375	4.2
85.02944	12.3
87.00877	8.8
89.02433	78.6
90.02740	1.3
91.01865	1.1
93.03455	2.8
95.01369	2.8
96.34054	1.0
96.95987	4.1
97.02931	2.0
99.00872	1.8
101.02435	26.8
109.02917	4.7
111.00841	5.1
113.02438	21.2
119.03493	32.3
119.04900	5.7
120.99641	39.9
121.02935	3.3
121.99899	1.1
123.04539	2.4
125.02416	8.8
131.03488	5.5
135.00876	5.5
137.02396	4.3
143.03510	10.0
149.02382	1.5
149.04520	3.8
149.09637	2.8
149.66446	1.0
151.00314	2.5
151.03955	3.8
153.01913	9.9
161.02483	1.9
161.04565	12.1
163.03973	2.1
164.04762	1.7
165.01907	16.9
166.02512	1.7
167.03517	1.8
175.03967	1.4
176.04666	1.4
177.01924	1.3
179.03479	4.1
179.05592	55.9
179.07042	2.5
180.04289	8.6
180.05833	1.9
181.04970	1.5
191.05554	7.8
194.05962	1.5
195.06598	12.6
203.07130	1.3
209.04387	1.1
210.05264	4.1
219.06465	1.6
225.07645	3.4
241.04895	1.3
245.08096	1.8
251.59152	1.2
259.06046	1.7
264.06302	1.5
265.07196	1.5
285.04028	2.1
289.07178	8.4
293.12384	1.5
297.06131	1.6
337.09186	3.3
341.08850	1.0
405.11768	4.1
405.21222	7.5
421.11139	4.9
447.09088	1.6
465.10175	7.7
491.15320	7.7
510.95148	1.2
529.45776	1.2
567.26477	40.3
568.26898	5.5
627.19415	19.8
628.19836	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	627.2092
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.09997	0.2
53.82263	0.2
55.49855	0.2
59.01400	0.2
69.35406	0.2
70.74355	0.4
73.02985	0.8
87.84453	0.2
98.20539	0.2
102.35746	0.2
169.42502	0.2
169.43916	0.2
191.05490	0.3
214.56084	0.2
225.87854	0.2
306.57693	0.3
343.26675	0.2
353.04428	0.2
385.95789	0.2
437.12622	0.9
438.13239	1.3
450.13089	0.3
451.13953	1.3
452.14850	3.4
453.15231	0.7
465.15790	0.7
466.16400	0.6
469.11554	0.5
477.15860	0.3
479.17618	0.6
480.13507	1.0
481.14963	7.6
482.15063	1.2
484.13806	0.7
493.15390	1.4
494.15707	0.8
495.16681	14.7
496.17105	2.8
497.17749	0.4
498.15500	0.3
507.16492	0.9
508.17929	2.0
509.18338	1.4
511.16150	0.2
512.13531	0.9
514.15302	0.3
518.15771	0.3
519.17358	0.2
521.14398	1.0
522.15283	0.4
523.19556	1.0
525.14545	0.5
526.14807	0.9
533.18335	0.6
535.16162	1.9
536.16864	3.0
537.17450	0.3
539.15637	0.7
540.16791	3.9
541.16669	0.8
549.17706	0.3
551.19312	35.5
552.19568	7.2
553.17157	0.5
554.18732	1.1
555.18726	1.1
567.18829	0.3
568.16626	0.8
572.15576	2.6
573.15863	0.5
583.21826	0.3
586.17023	1.9
587.17419	0.6
595.18225	7.5
596.18555	1.6
627.20874	100.0
628.21161	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	627.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24548	0.2
57.03428	0.3
59.01381	0.5
61.98834	1.7
62.72792	0.2
69.71748	1.5
71.01379	1.0
73.02945	0.3
75.84841	0.2
78.95899	2.8
79.95732	3.6
85.02946	0.5
88.98786	0.9
93.03437	0.3
96.96000	100.0
96.96886	4.4
99.04486	0.3
101.02432	0.5
108.02193	1.3
109.02946	2.4
113.02431	0.6
122.03738	0.9
125.02419	0.4
125.67172	0.2
135.04488	0.5
145.02898	0.4
148.05191	0.3
151.00467	0.3
161.04591	1.5
162.04854	0.4
164.71330	0.2
171.10307	0.3
185.11833	0.3
223.78471	0.3
271.08200	0.7
285.03906	0.6
319.13705	0.3
355.24884	0.3
371.24408	1.2
372.24820	2.3
373.25833	6.0
447.11029	0.3
450.29279	0.3
465.32205	2.0
475.38913	0.3
499.00626	0.3
627.27472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	16.0
59.01363	1.3
63.02399	1.9
65.00325	5.8
70.08413	2.6
81.03449	2.0
83.01381	7.6
84.98234	0.7
89.92419	0.6
93.03454	2.3
95.01401	2.4
96.96010	3.0
107.01366	9.0
108.02157	2.0
109.02972	6.5
111.00876	1.3
111.02306	0.7
113.10229	0.7
117.03445	3.1
119.05001	5.8
121.02931	1.6
123.00844	4.6
124.01658	5.4
125.02432	77.7
126.02782	2.2
135.00868	1.0
137.02425	11.8
138.03142	0.9
139.00327	1.2
139.03998	6.6
145.02943	11.8
147.00868	1.2
147.04440	1.0
149.02438	3.0
149.05994	1.1
151.00359	27.8
151.03960	3.4
151.45454	0.7
152.01157	8.8
153.01913	16.2
153.36363	0.8
155.03464	2.2
159.04491	2.4
161.02431	2.2
161.06052	2.1
163.00388	3.5
163.03983	5.8
164.01157	1.8
165.01912	18.0
166.02594	1.7
167.03468	18.5
169.01393	2.5
173.02435	1.5
173.06203	0.9
174.03293	1.2
175.00328	5.9
175.04001	2.4
176.01089	1.9
177.01895	5.7
178.99838	27.6
181.01450	2.5
183.04483	1.3
185.02348	1.3
185.06003	1.3
187.03969	4.5
189.01897	2.0
189.05560	1.5
190.02670	3.1
191.03476	12.7
192.00623	3.3
193.01390	100.0
194.01698	3.6
201.05478	1.8
203.03465	2.1
204.04192	1.0
205.04996	6.5
207.03055	1.1
207.06601	1.3
209.04475	1.0
211.04037	3.3
213.01897	1.3
213.05576	1.8
213.82796	0.9
214.02682	1.4
215.03471	5.3
217.01447	1.6
225.05621	0.7
227.03488	3.8
228.04074	1.2
229.04997	3.5
231.02884	2.9
231.06500	1.8
232.03650	3.4
233.04492	12.8
235.02449	1.6
239.03493	3.4
243.06535	8.1
247.06029	2.9
255.02917	9.8
256.03714	3.1
257.04535	8.1
263.55777	0.8
273.03928	1.6
274.04871	1.4
275.05582	13.8
276.05630	1.0
283.02441	41.3
284.02771	3.1
300.02704	2.9
301.03540	14.5
302.03763	1.1
307.08316	2.0
319.04672	1.6
327.07239	2.5
329.08563	1.3
353.08322	1.0
355.06750	2.8
395.09683	1.0
405.11719	4.6
437.10815	4.1
444.61859	0.7
463.08820	9.4
464.09158	1.0
472.39212	0.8
473.10718	3.4
475.12601	1.1
481.09662	5.0
483.09528	0.8
488.18039	0.8
499.12204	2.1
501.10345	29.3
502.10559	3.4
565.13281	2.2
583.14508	5.0
599.14197	2.6
609.12366	52.3
610.12787	7.7
627.13446	68.2
628.13806	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	626.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
70.36620	0.9
70.50581	0.2
71.14233	0.3
98.19974	0.3
103.88170	0.2
106.59325	0.2
243.54655	0.3
391.25000	0.3
431.11713	0.3
497.23657	0.3
604.62891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83120	0.7
57.03442	11.8
59.01382	1.2
62.85303	0.6
63.02396	2.7
64.43933	0.6
65.00311	5.6
65.66824	0.6
69.71671	1.4
69.72082	2.5
71.01401	1.1
74.75539	0.6
79.95715	1.9
83.01373	8.3
85.02928	1.0
88.98789	1.2
93.03447	1.5
95.01373	2.5
96.96017	6.0
98.20669	0.7
107.01378	10.0
109.02934	6.4
110.97592	5.2
111.00858	0.8
117.03491	3.4
119.05019	5.3
121.02927	3.1
123.00875	4.6
123.04522	1.0
124.01656	5.3
125.02434	71.8
126.02760	1.8
131.01384	0.8
137.02425	11.9
138.03123	1.0
139.00359	0.8
139.04019	5.7
145.02924	7.9
147.00874	3.1
149.02422	2.9
150.03197	1.0
151.00360	32.5
151.03978	0.7
152.01076	5.3
153.01920	19.1
153.03116	1.4
155.03496	2.2
159.04466	1.2
161.02435	1.7
161.05992	1.1
163.00378	3.7
163.04013	6.2
164.01099	1.6
165.01903	15.9
166.02557	0.9
167.03481	17.0
169.01404	2.1
173.02414	0.9
173.06107	0.8
175.00345	10.3
175.03984	2.8
176.01036	1.6
177.01895	4.6
177.05536	1.8
178.02592	0.9
178.99840	30.1
180.00171	0.9
181.01401	2.4
183.04419	1.0
187.03947	3.6
189.01901	2.5
189.05524	2.0
190.02673	2.9
191.03493	11.3
192.00645	2.7
193.01389	100.0
194.01729	3.1
199.03983	0.9
201.05589	1.7
203.03500	0.9
204.04335	1.2
205.05020	5.6
207.02879	0.8
209.04449	1.4
211.04002	3.3
212.04279	0.7
213.01973	1.6
214.02626	1.6
215.03496	5.7
217.01326	1.0
217.04930	1.1
227.03436	3.2
229.01271	0.9
229.05034	3.5
231.02934	2.1
232.03644	3.1
233.04530	11.5
234.04819	0.8
235.02409	0.9
239.03448	3.6
247.06023	2.4
255.02960	9.6
256.03647	2.8
257.04465	6.0
258.01657	0.8
272.03400	1.0
273.03839	0.9
274.04782	2.3
275.05624	10.8
283.02438	34.4
284.02698	1.8
285.03992	1.6
292.70700	0.7
300.02719	3.1
301.03473	15.6
302.03790	0.9
307.08069	2.3
319.04541	6.7
320.04877	0.8
327.07065	1.6
355.06537	2.1
380.40506	0.7
395.09811	0.9
419.09436	1.1
435.07495	0.8
437.10657	4.0
453.09903	0.8
461.10867	0.9
463.08734	7.7
473.10928	3.2
475.11542	0.9
481.09927	5.3
487.08716	2.4
499.12274	2.3
501.10342	22.9
502.10733	2.6
565.13599	2.1
567.11096	0.8
583.14606	4.5
599.14001	3.0
609.12415	46.0
610.12512	4.7
627.13416	56.8
628.13751	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	626.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71301	0.1
55.91892	0.1
56.04728	0.1
59.01371	0.4
59.37376	0.1
61.98825	100.0
70.99856	0.2
71.00167	0.2
71.01386	0.2
78.48167	0.1
88.98836	0.2
89.02428	0.1
96.95994	0.8
109.02938	2.2
117.03471	0.2
125.02450	0.3
145.02965	0.8
151.07683	0.2
163.04024	0.2
175.04047	0.2
177.01945	0.1
209.11900	0.2
262.07935	0.1
285.04047	0.2
355.25021	0.3
373.25885	0.9
506.18854	0.1
563.28522	0.7
627.21527	0.2
627.36060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98824	100.0
63.99242	0.4
71.01375	0.3
71.63513	0.3
78.95906	0.9
79.95710	0.3
87.30367	0.2
93.03522	0.2
93.27557	0.2
96.96001	6.2
96.96976	0.8
98.95594	0.5
99.00882	0.2
102.25312	0.2
104.00507	0.2
109.02948	1.8
117.03468	0.3
121.02934	0.4
123.04510	0.5
125.02467	0.9
145.02998	1.2
150.06871	0.4
153.05569	0.6
209.11705	0.3
250.70212	0.2
284.03366	0.4
285.04053	0.5
299.05423	0.3
373.25885	0.8
405.26355	0.2
457.59799	0.3
465.32263	0.3
563.28760	0.6
626.27057	1.0
627.27679	0.3
627.37750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98825	100.0
62.98526	0.2
66.85030	0.1
69.44278	0.5
69.44701	0.3
75.41561	0.1
78.18295	0.1
82.68832	0.1
96.96010	0.2
98.20637	0.2
98.24870	0.1
99.60383	0.1
109.02969	0.1
111.08334	0.1
114.26275	0.1
121.02946	0.1
145.02908	0.6
155.55969	0.1
175.64139	0.1
190.28221	0.1
209.11838	0.2
242.89091	0.1
244.42039	0.1
258.32324	0.1
286.62027	0.1
291.88260	0.1
309.26852	0.1
375.27798	0.1
563.28217	0.7
626.35352	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	626.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89693	0.1
59.01370	0.2
61.98824	100.0
62.98529	0.2
69.49931	0.5
69.50358	0.4
71.01380	0.3
80.67165	0.1
85.02944	0.2
85.47043	0.1
87.60774	0.1
90.24451	0.1
96.96032	0.3
101.02438	0.2
108.02134	0.2
109.02192	0.2
109.02943	5.1
110.03288	0.8
117.03442	0.1
125.02470	0.2
137.46951	0.1
145.02948	0.6
151.00301	0.2
151.07660	0.2
161.33063	0.1
191.03496	0.8
192.03859	0.3
197.11812	0.2
198.12262	0.1
199.13367	0.1
199.23071	0.1
209.11844	0.5
216.12595	0.1
269.10257	0.2
271.08368	0.2
285.04068	0.2
297.07733	0.2
298.07941	0.2
354.23721	0.2
355.24948	0.2
357.26575	0.2
371.24222	1.0
372.24673	1.3
373.25607	0.6
374.26395	0.1
375.27643	0.5
563.28894	0.5
626.23663	0.3
626.33936	0.4
627.35907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
60.92067	0.1
61.98824	100.0
62.98522	0.2
69.25169	0.2
69.25562	1.0
71.01397	0.1
84.19736	0.1
84.95734	0.1
93.03510	0.1
96.96011	0.6
109.02940	1.4
117.03433	0.1
125.02437	1.9
125.03300	0.2
126.71549	0.1
137.02440	0.2
145.02917	0.6
151.07674	0.1
153.25601	0.1
163.04051	0.2
296.19855	0.1
300.79694	0.1
357.26563	0.4
373.25946	0.5
417.15579	0.1
464.31149	0.1
563.28619	0.8
625.35846	0.1
626.36243	0.4
627.35724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36529	0.1
59.01383	0.3
61.98823	100.0
69.77927	0.7
69.78381	0.3
71.01396	0.2
77.67501	0.2
96.95999	1.9
98.95596	0.2
117.03466	0.2
120.99721	0.2
125.02406	0.2
145.02948	1.0
163.03981	0.2
319.50662	0.2
325.12939	0.2
398.57886	0.2
447.11234	0.2
504.34503	0.2
563.28400	1.1
567.72510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
58.00583	0.7
59.01372	17.7
66.14011	0.4
66.38523	0.4
67.52918	0.4
68.99819	0.6
69.03448	0.6
70.22620	0.4
71.01373	12.6
71.63249	0.8
72.99297	0.8
73.02937	2.0
74.99113	0.6
75.00873	0.7
80.02641	1.1
81.03443	2.3
83.01373	1.9
83.05019	5.8
84.02151	1.6
85.02950	3.3
87.00857	3.3
88.98788	1.1
89.02431	13.9
93.03486	0.5
95.01372	1.0
95.05031	0.9
96.96006	1.4
97.02937	1.4
98.04443	0.5
99.00900	0.5
101.02437	10.2
102.02809	0.4
111.04494	0.7
113.02439	5.0
119.03499	4.0
123.00874	0.5
123.04538	0.8
125.02436	5.1
125.06100	0.9
129.77890	0.4
131.03487	0.6
131.07100	0.5
135.08145	0.8
143.03462	2.6
147.11603	0.5
149.93689	0.4
150.03189	0.4
161.04582	2.8
163.03889	0.4
163.11261	4.5
165.12808	2.8
167.03450	0.6
170.04625	0.5
177.01918	0.8
177.05551	0.6
179.05571	2.8
179.07050	0.8
181.12276	1.1
191.03619	0.5
191.10803	0.7
193.04953	1.3
207.06606	0.5
209.11795	100.0
210.12122	5.6
221.06577	1.1
227.12842	19.7
228.13057	1.0
235.08189	4.4
253.09286	1.5
287.07706	1.2
295.84875	0.4
300.02917	0.6
301.03510	1.9
305.08768	1.0
323.10080	0.8
379.12494	0.5
385.13037	0.5
397.13437	34.4
398.13806	1.8
403.13895	4.7
415.14508	20.9
416.14819	1.5
463.08676	1.6
625.13739	0.9
625.26788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89963	0.5
55.01857	0.7
58.00576	0.5
59.01378	15.4
59.74738	0.5
65.83191	0.5
66.22610	0.5
69.03452	0.7
69.33247	1.6
69.33666	2.8
70.78120	0.6
71.01376	12.7
72.56061	0.5
72.99279	1.1
73.02934	2.4
73.78040	0.5
80.02662	1.8
81.03454	1.8
83.01385	2.0
83.05021	6.0
84.02164	1.1
85.02946	2.9
87.00865	3.6
89.02441	12.2
90.19827	0.5
95.01402	0.9
97.02928	2.0
98.19843	1.2
99.00850	0.6
101.02443	11.0
108.21340	0.5
111.00866	0.6
113.02429	4.6
115.18456	0.5
119.03500	4.7
123.00774	0.6
125.02437	4.6
125.06052	1.3
131.03423	0.5
131.07115	1.0
135.08162	0.7
137.02437	0.6
143.03500	2.6
147.11824	0.6
149.04568	0.8
161.04550	3.4
163.11287	4.3
165.12885	3.0
167.03441	0.5
173.08221	0.5
177.05588	0.5
179.05571	2.6
181.12256	0.8
191.03545	0.5
193.05087	0.8
208.03734	0.6
209.11806	100.0
210.12108	5.5
221.06639	0.6
223.06090	0.7
227.12846	18.8
228.13171	0.7
235.08206	4.3
253.09265	1.6
271.05896	0.6
287.07666	1.1
301.03424	1.2
305.08771	1.2
323.09875	0.7
348.53622	0.6
397.13470	33.4
398.13712	1.8
403.13858	4.8
415.14548	17.8
416.14865	1.2
463.08643	1.2
617.42267	0.6
625.15155	0.7
625.26532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
71.01379	1.2
71.62262	0.6
79.05524	0.4
83.01362	0.5
83.05018	0.5
85.02944	6.8
87.00864	1.3
89.02425	0.4
93.03449	2.7
96.95988	1.2
97.06522	0.6
109.02921	1.1
111.04533	1.0
112.83120	0.4
119.05013	1.2
120.99644	2.6
123.04512	0.7
125.02435	0.9
127.04002	1.7
133.03030	0.6
135.04509	1.6
137.02411	0.4
141.05653	0.7
153.01915	0.4
161.02448	1.5
163.04013	0.7
167.03415	0.8
171.02827	0.6
173.04512	1.4
173.99275	0.4
177.01874	0.6
179.03511	1.2
179.05663	0.5
191.05589	100.0
192.05922	3.0
221.31866	0.3
223.06033	0.5
271.02319	0.7
283.11807	1.8
289.07089	1.3
290.70926	0.4
299.01926	1.0
301.03720	0.7
329.08780	0.5
353.08679	11.3
354.09070	0.9
435.52249	0.4
463.08270	0.5
463.18231	1.6
625.14307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18028	0.6
57.03447	1.6
59.01373	31.6
59.71172	0.5
61.98830	5.2
62.42075	0.7
70.93785	1.7
71.01380	4.4
73.02951	1.0
79.18924	0.6
79.95731	0.9
80.96509	2.4
83.01308	0.8
85.02945	1.0
88.98780	1.0
89.02425	2.5
89.03966	0.8
89.37420	0.6
93.03459	1.0
94.98057	0.6
95.96857	0.6
96.96004	2.3
99.00928	0.8
99.04514	8.5
101.02425	1.5
109.06599	0.9
113.02453	2.1
117.03452	2.4
121.02937	0.8
123.04583	0.8
125.02431	0.8
127.94511	0.7
132.02156	1.7
133.02937	3.5
134.03732	29.5
135.04468	2.5
136.01701	1.0
137.02417	1.8
145.02975	0.7
147.04530	4.6
148.05229	3.7
149.06049	7.6
151.03983	1.5
158.03703	2.1
160.01637	12.2
161.02370	2.6
161.04509	0.8
163.03986	1.2
164.04735	0.8
165.01897	0.6
165.12816	3.2
173.06073	0.9
174.03230	1.0
175.03978	17.7
176.04759	17.1
177.01904	4.3
177.05363	1.4
178.02719	4.6
179.03415	1.5
189.12843	1.7
191.07115	21.4
192.04260	2.4
192.07497	0.8
192.71988	0.6
193.05034	33.4
194.05424	1.0
202.02794	0.7
203.03506	0.7
207.06555	6.1
207.13864	7.1
208.06976	0.7
209.11797	24.2
210.12202	1.0
217.05023	2.1
220.03767	3.5
222.54030	0.6
225.14883	4.9
235.06071	35.3
236.06502	1.3
251.12845	4.2
259.05963	0.6
265.07132	12.7
269.13895	100.0
270.14291	5.1
285.03940	3.9
287.14957	1.4
295.08148	15.4
313.20905	0.7
329.23114	1.6
355.10306	7.6
449.20279	12.1
492.78973	0.7
565.22382	1.0
607.23468	0.7
625.24915	54.6
626.25000	7.8
648.00885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46321	0.4
63.02397	0.6
65.00323	0.8
70.14152	1.9
76.38513	0.4
83.01368	0.7
93.03443	0.7
96.95975	0.4
107.01385	1.9
109.02949	1.2
112.23231	0.5
121.02937	1.3
125.02428	0.9
126.42445	0.6
133.02934	0.9
149.02383	0.5
149.89569	0.5
151.00356	6.7
163.00308	0.8
163.03990	0.9
173.02310	0.6
174.35619	0.5
175.00400	1.3
175.03867	0.6
177.02020	0.5
178.99771	1.5
183.04453	0.6
187.03941	0.8
189.05667	0.6
191.05627	0.5
193.01466	0.5
198.03175	0.5
199.04007	2.6
201.01910	0.7
203.03410	0.6
211.04028	0.6
215.03520	1.7
226.02629	1.0
227.03479	3.1
242.02049	0.5
243.02962	4.5
254.02158	0.8
255.02908	2.2
271.02454	58.2
272.02826	3.3
283.02481	0.5
299.01935	100.0
300.02588	14.6
301.03494	45.6
302.03851	2.8
313.03476	1.1
343.04688	0.8
416.88397	0.5
453.72849	0.4
462.07968	21.2
463.08713	33.0
464.09100	2.5
489.59042	0.5
625.14008	90.6
626.14337	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	625.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01375	1.5
61.98832	2.1
63.02382	1.3
64.54937	0.4
65.00319	16.5
71.01375	1.9
71.63643	0.6
71.63987	0.4
72.72896	0.4
73.02929	0.4
76.11913	0.3
83.01379	6.2
85.02960	0.8
89.02438	0.7
96.96004	3.6
96.96943	0.7
101.02428	1.3
107.01378	23.3
107.05005	0.6
108.02191	1.2
109.02966	2.3
113.02440	0.5
117.03458	1.2
119.03444	0.4
121.04996	0.5
123.04481	0.5
125.02436	12.6
132.02138	1.7
133.02963	2.8
134.03731	8.2
135.04510	75.0
136.04863	2.1
137.02402	0.9
145.02934	0.6
149.06067	1.1
151.00352	100.0
152.00676	2.9
158.03661	0.5
159.04454	2.0
160.01645	10.2
161.02429	12.9
161.04524	0.6
164.01170	0.5
165.01930	0.9
169.01334	0.5
175.00421	0.5
175.03981	15.3
176.04413	1.2
177.01910	3.6
178.02715	0.4
179.03572	0.5
185.82475	0.4
187.23288	0.4
193.05055	4.7
197.40109	0.5
199.04051	0.7
201.01898	0.5
201.05424	0.6
209.11836	0.7
217.01360	1.0
225.05554	0.6
235.06087	1.5
241.61871	0.4
243.06577	6.4
255.03122	0.4
269.04510	0.6
269.13745	2.0
283.02469	0.5
283.10379	2.2
285.04074	0.7
287.05563	48.4
288.05872	3.6
313.24097	0.7
315.62115	0.4
337.09293	12.5
359.23761	0.4
359.27948	7.3
363.17026	0.4
371.24500	0.6
390.18665	0.4
431.09628	0.8
444.42923	0.5
449.10745	7.8
451.10333	0.8
470.41187	0.6
473.14395	4.3
477.08273	0.5
499.12357	7.6
500.13129	0.7
508.70108	0.5
524.04675	0.4
581.16479	0.7
625.15558	34.6
625.24713	1.4
626.16229	4.9
626.25867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34828	0.3
57.60821	0.3
59.01352	0.4
61.98825	100.0
65.41124	0.3
69.14360	0.2
70.75800	0.3
70.76131	0.7
86.82457	0.3
130.94984	0.3
159.10252	0.3
179.12666	0.3
180.63454	0.3
620.25494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12335	0.4
52.33112	0.4
59.01363	0.5
61.98824	100.0
69.60503	2.7
83.54846	0.4
92.00633	0.4
93.14233	0.4
309.92523	0.4
470.13104	0.4
597.10150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.54741	0.2
61.98822	4.6
71.01382	0.4
78.95905	5.1
79.95733	4.2
85.02945	0.4
94.98070	0.3
96.96004	100.0
96.96900	7.2
101.02410	0.4
107.95110	0.2
109.02954	0.4
121.02961	0.8
125.02419	0.6
147.39471	0.2
152.99510	0.6
161.04573	0.3
191.03607	0.6
203.93481	0.3
206.99757	0.4
209.11824	0.2
223.08229	0.7
241.01094	0.3
243.76772	0.3
283.02866	0.7
285.03952	0.7
357.25677	0.2
373.18799	0.3
427.06854	0.5
518.12762	0.3
594.26611	0.3
625.26196	2.1
625.34406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1402
Annotation	Myricetin-3-O-rutinoside
Peak:m/z	Relative Intensity
54.94946	0.6
58.73627	0.5
70.99733	1.3
76.21946	0.7
81.57629	0.7
107.01382	1.6
107.95096	0.8
109.02917	0.7
121.84813	0.6
124.01647	2.0
137.02417	1.7
149.16908	0.5
151.00371	7.2
152.01149	1.0
163.00385	1.3
164.01126	1.6
178.99852	6.9
183.19402	0.7
203.03426	0.7
214.02693	7.7
242.02121	4.3
243.03000	2.9
259.02435	5.4
270.01654	6.4
271.02441	36.1
272.02762	1.7
285.04086	3.6
286.04333	1.6
287.01913	19.6
287.04465	1.4
288.02298	3.0
300.02768	0.8
315.01535	0.6
316.02188	92.9
317.02823	15.1
409.69727	0.7
625.13995	100.0
626.14459	11.6
627.36267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1611
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03429	0.5
59.01369	2.7
63.02387	0.5
63.82035	0.4
65.00318	0.7
69.66564	0.9
69.66965	2.3
71.01377	1.2
74.09797	0.4
83.01389	0.9
85.02960	1.1
87.00867	0.5
89.02433	0.5
91.82882	0.5
92.23840	0.4
93.03425	0.6
96.96013	1.6
99.04533	0.5
107.01381	1.1
109.02956	0.4
109.06609	0.5
113.02422	0.7
117.03403	0.5
121.02921	0.7
123.04492	0.7
125.02454	1.2
134.03714	0.4
135.04521	0.8
145.02945	1.5
146.47005	0.4
150.03195	1.2
151.00368	5.2
160.01651	0.9
161.02361	0.7
163.00391	0.9
165.05550	0.9
171.04434	0.7
175.02530	0.6
175.03970	1.9
178.99844	0.5
183.04472	1.2
191.05559	2.8
192.05812	0.6
193.04909	0.9
195.06578	0.6
199.03972	5.0
201.01938	0.6
203.03516	0.6
207.10262	1.2
211.04163	0.6
215.03499	2.1
225.11234	0.9
225.13182	0.8
227.03468	5.2
228.04012	0.6
239.12828	0.5
242.02187	2.8
243.02950	24.8
244.03429	2.4
246.85614	0.4
255.02962	13.5
256.03464	1.0
257.04477	2.9
259.05991	1.0
270.01599	2.4
271.02444	36.9
272.03021	4.3
285.04016	8.6
286.04654	1.7
287.05585	1.5
299.01950	44.2
300.02679	26.0
301.03192	1.7
313.03448	0.7
314.04294	42.6
315.05045	56.6
316.05359	4.1
325.03366	0.5
357.05930	0.7
367.21295	0.4
398.53867	0.4
415.14331	0.6
427.16080	1.9
573.64874	0.5
579.21246	2.7
579.28943	0.5
623.16089	100.0
624.16492	11.3
624.26428	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	623.1398
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
54.66277	0.2
56.29226	0.2
57.03474	0.3
59.01371	0.5
61.98818	0.8
63.02393	1.1
65.00318	1.2
68.99819	0.2
69.66541	1.7
83.01389	0.9
96.95989	0.8
98.19885	0.5
101.02423	0.5
105.03453	0.5
107.01366	2.1
109.02916	0.6
113.02464	0.4
121.02934	0.9
123.04491	0.3
132.02153	2.5
133.02940	7.6
134.03745	2.9
135.04520	2.6
148.01643	0.2
149.02422	1.9
149.06052	0.8
151.00363	5.1
151.03899	0.4
160.01636	8.0
161.02419	7.2
162.02812	0.3
171.04492	0.5
171.10204	0.4
175.02492	0.4
175.03983	6.9
176.04538	0.2
177.01907	0.4
177.05481	0.3
179.03482	1.8
185.06029	0.5
193.05003	0.8
197.06009	0.5
197.35330	0.3
198.03110	0.5
199.04018	2.3
200.04762	0.4
201.01927	0.8
211.03935	0.7
212.04872	0.3
213.05516	0.7
215.03468	0.7
217.04985	1.5
221.04521	0.9
227.03406	0.7
228.03995	0.3
229.05017	0.3
239.03508	0.3
241.04967	0.7
243.02910	0.7
246.77568	0.2
255.02945	1.0
256.03729	1.9
257.04385	0.7
267.10760	1.4
283.02612	0.4
284.03220	27.3
285.03992	100.0
286.04355	6.0
297.03986	0.4
299.05560	10.6
300.05896	0.6
313.03476	0.5
323.07675	6.7
324.07993	0.4
327.04974	0.4
331.97485	0.2
371.24240	0.3
373.25952	1.6
429.08163	0.4
447.09277	1.8
529.70667	0.3
623.13953	61.2
624.14270	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	623.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.2
59.01377	1.5
65.00317	0.4
69.78216	0.5
69.78632	0.9
71.01369	2.1
72.99307	0.2
75.00869	0.7
83.01396	0.5
83.77334	0.2
84.76692	0.2
85.02943	2.4
87.00880	0.5
89.02411	0.3
95.01404	0.7
99.00876	0.9
103.00347	0.2
105.03423	0.3
107.01392	1.0
113.02446	1.7
115.00378	0.3
117.01909	0.4
123.82707	0.2
124.94392	0.3
133.02936	4.2
133.03870	0.4
135.58354	0.2
149.02460	1.0
151.00377	2.8
175.03981	2.1
177.01999	0.3
185.06157	0.3
191.05730	0.2
199.03970	1.6
201.01897	0.5
213.05505	0.4
216.40819	0.2
217.05028	1.1
241.05019	0.8
243.02950	0.6
256.03671	0.6
257.04486	0.4
267.02832	0.2
284.03259	2.9
285.04004	100.0
286.04355	6.2
297.03973	0.6
299.05405	0.3
327.05045	1.7
332.80014	0.3
357.06094	0.6
381.06351	0.3
443.06061	0.9
447.09277	8.6
448.09531	0.6
461.07202	22.6
462.07632	2.5
470.30649	0.2
481.51395	0.2
503.08279	2.6
516.05762	0.3
623.12421	19.5
624.12860	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	623.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61697	0.2
57.03447	0.4
59.01372	2.4
63.02406	0.3
65.00314	0.3
69.47241	1.9
71.01373	2.8
72.99300	0.5
73.02965	0.3
75.00873	1.1
83.01380	0.6
85.02940	4.8
87.00882	0.8
87.65051	0.2
89.02457	0.4
95.01381	1.5
96.96016	0.8
98.19893	0.4
99.00884	1.6
103.00350	0.7
107.01392	0.9
113.02435	4.6
115.00324	0.6
117.01936	0.4
119.50401	0.3
121.02937	0.3
129.01962	0.3
133.02933	4.1
148.01672	0.2
149.02490	1.2
151.00337	3.3
152.01112	0.4
175.02458	1.7
175.04004	1.5
185.05885	0.3
191.05611	1.4
199.03929	1.7
201.01930	0.7
211.03995	0.4
213.05429	0.4
215.03546	0.4
217.05002	1.0
227.03566	0.3
241.05020	0.6
243.02991	0.6
248.53018	0.2
256.03763	1.6
267.03064	0.3
284.03235	19.5
285.04004	100.0
286.04343	6.1
297.04056	0.7
298.04562	0.3
298.99814	0.3
299.05557	0.5
327.04977	2.8
357.06067	1.1
381.06174	0.6
399.07169	0.4
443.06351	0.4
447.09219	12.9
448.09641	1.1
461.07187	23.4
462.07642	2.3
503.08191	2.6
533.08972	0.3
623.12433	18.4
624.12683	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	621.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90366	1.0
53.89386	0.9
54.65372	1.0
59.01373	100.0
59.76991	1.1
61.98809	1.2
69.20688	0.9
70.57176	3.4
98.19916	1.1
107.05074	1.0
136.29883	1.0
146.23419	1.1
149.26064	1.0
163.11317	1.0
184.26924	1.0
209.11803	16.2
227.12900	1.8
234.63553	1.0
266.34967	1.1
277.21674	24.2
278.22061	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	622.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40088	0.1
51.78677	0.1
59.01372	0.2
61.98822	100.0
67.45947	0.1
70.64003	0.3
71.01355	0.2
71.85584	0.1
82.63981	0.1
98.20009	0.1
99.98573	0.1
113.02468	0.2
176.54498	0.1
226.38286	0.1
258.87756	0.1
281.12274	0.2
305.78885	0.1
357.26810	0.1
374.26425	0.2
394.81055	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	621.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
71.01381	1.0
71.62247	0.9
71.62628	0.9
79.95732	0.7
90.56953	0.6
93.03455	1.7
96.96000	100.0
101.03505	0.7
107.04996	0.8
119.05022	1.9
125.02490	0.9
130.08745	10.0
131.09084	1.6
135.04524	1.8
137.06058	1.0
163.03958	1.1
166.88438	0.8
172.09766	9.3
173.10042	2.1
175.09834	0.9
191.05589	3.6
192.06071	1.0
217.01723	56.4
217.10736	0.9
218.02071	1.9
221.04424	0.7
275.24210	0.7
295.09491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01359	2.2
65.01973	0.2
67.01892	0.5
68.75657	0.2
71.01360	1.3
71.63015	0.2
72.44352	0.2
72.99280	0.4
73.02946	0.3
75.80901	0.2
78.00797	0.3
78.01337	0.2
79.90422	0.2
80.35802	0.2
83.05022	0.5
85.02942	10.4
87.00865	2.1
93.03438	5.2
96.95998	5.9
96.96951	0.4
99.04475	0.7
101.32432	0.2
105.10741	0.2
109.02940	0.8
109.08971	0.2
111.00864	0.2
111.04496	1.2
113.02363	0.3
125.02444	0.3
127.03995	2.7
127.67702	0.2
131.07092	0.6
135.04512	5.2
135.06088	0.2
137.02481	0.3
145.02953	1.2
161.02423	5.8
161.04507	0.3
163.03957	0.3
166.69286	0.3
171.02943	0.8
173.02396	2.5
173.04492	1.3
173.08145	0.3
174.03194	3.1
182.39426	0.2
188.75745	0.2
191.05579	100.0
192.05922	2.9
221.06102	0.3
239.07123	0.5
241.08693	1.2
244.12029	0.2
249.05513	1.6
267.06577	8.1
268.06949	0.3
429.11829	33.6
430.12198	2.5
447.12814	0.5
450.06430	0.2
450.39160	0.2
459.12585	0.2
621.18060	5.9
622.18463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01359	2.2
65.01973	0.2
67.01892	0.5
68.75657	0.2
71.01360	1.3
71.63015	0.2
72.44352	0.2
72.99280	0.4
73.02946	0.3
75.80901	0.2
78.00797	0.3
78.01337	0.2
79.90422	0.2
80.35802	0.2
83.05022	0.5
85.02942	10.4
87.00865	2.1
93.03438	5.2
96.95998	5.9
96.96951	0.4
99.04475	0.7
101.32432	0.2
105.10741	0.2
109.02940	0.8
109.08971	0.2
111.00864	0.2
111.04496	1.2
113.02363	0.3
125.02444	0.3
127.03995	2.7
127.67702	0.2
131.07092	0.6
135.04512	5.2
135.06088	0.2
137.02481	0.3
145.02953	1.2
161.02423	5.8
161.04507	0.3
163.03957	0.3
166.69286	0.3
171.02943	0.8
173.02396	2.5
173.04492	1.3
173.08145	0.3
174.03194	3.1
182.39426	0.2
188.75745	0.2
191.05579	100.0
192.05922	2.9
221.06102	0.3
239.07123	0.5
241.08693	1.2
244.12029	0.2
249.05513	1.6
267.06577	8.1
268.06949	0.3
429.11829	33.6
430.12198	2.5
447.12814	0.5
450.06430	0.2
450.39160	0.2
459.12585	0.2
621.18060	5.9
622.18463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01371	1.8
67.01881	0.9
71.01383	2.1
71.62836	0.4
73.02916	0.4
81.03457	0.5
83.05024	0.6
85.02942	9.2
87.00867	2.5
93.03448	9.4
96.96004	3.1
97.02943	0.4
99.04516	0.3
101.02403	0.6
108.02155	5.3
109.02935	3.3
111.04503	2.0
113.02442	0.5
121.02948	0.4
127.04018	2.5
132.02121	0.9
133.02940	1.4
134.03732	1.4
135.04517	11.7
136.04843	0.3
137.02402	1.3
143.03464	0.4
152.01135	4.5
153.01917	4.0
159.04443	0.4
160.01643	1.4
161.02431	5.6
165.01952	0.4
167.03491	0.4
171.03000	0.4
173.02348	0.8
173.04553	3.0
178.02728	1.9
179.03470	8.1
191.05588	100.0
192.05948	2.5
241.08646	1.3
249.05556	0.4
267.06631	1.8
285.03973	0.6
315.07178	17.8
316.07568	2.6
317.07654	1.3
321.66031	0.4
323.07758	2.4
353.08743	6.3
358.33554	0.4
359.76120	0.4
395.09854	1.3
429.11777	3.9
447.12772	1.1
455.11569	0.6
459.12521	0.6
621.18158	34.8
622.18439	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	621.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01379	2.4
59.10122	0.3
60.99297	0.4
67.01889	1.4
71.01373	1.6
73.02952	0.4
81.03439	0.4
83.01376	0.3
83.05016	0.7
85.02943	9.9
86.84064	0.3
87.00877	2.2
93.03446	9.3
94.03793	0.4
96.95999	2.7
101.02421	0.4
108.02158	3.4
109.02953	3.5
111.00932	0.4
111.04505	1.5
113.02441	0.5
121.02938	0.4
123.04473	0.3
125.02442	0.9
127.04018	2.1
132.02144	0.9
133.02934	1.5
134.03767	1.8
135.04514	12.4
137.02429	0.9
140.99237	0.3
150.03233	0.6
151.03992	0.8
152.01143	4.8
153.01926	3.7
155.03441	0.5
160.01634	1.2
161.02432	6.4
171.02948	0.6
173.02440	0.8
173.04530	2.4
178.02647	2.0
179.03468	7.4
191.05585	100.0
192.05943	2.0
241.08612	1.2
267.06586	1.9
285.04095	0.9
315.07166	16.8
316.07382	1.7
317.07596	1.3
323.07727	3.2
353.04507	0.5
353.08710	6.1
395.09781	1.3
429.11874	3.9
447.12830	1.1
459.12613	0.7
515.13513	0.7
621.18134	34.0
622.18713	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	621.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63493	0.2
57.03437	0.3
59.01368	2.3
67.01877	0.2
69.90508	1.1
71.01367	1.0
72.06738	0.2
72.43760	0.2
73.02943	0.4
75.19138	0.2
81.03452	0.6
83.04991	0.6
85.02939	11.2
87.00861	2.0
89.06657	0.2
93.02850	0.3
93.03446	5.5
93.04061	0.3
96.95985	0.9
99.04498	0.5
100.60178	0.2
101.02450	0.3
109.02950	0.7
111.04513	1.5
113.02422	0.3
125.02422	0.5
127.03989	2.8
131.07094	1.2
135.04498	5.1
137.02464	0.3
145.02910	1.0
155.03459	0.3
161.02420	5.1
163.03925	0.3
171.02969	0.7
173.02417	2.1
173.04581	1.1
173.08154	0.4
174.03168	2.6
175.03772	0.2
179.54099	0.2
191.05580	100.0
192.05939	3.1
221.06090	0.3
239.07124	0.3
241.08609	1.6
249.05540	1.7
266.05859	0.2
267.06564	7.5
268.06696	0.5
285.72568	0.2
310.11481	0.2
323.07971	0.3
341.58597	0.2
382.31879	0.2
389.06845	0.2
429.11816	33.1
430.12115	3.0
447.12820	0.7
455.54132	0.2
459.13486	0.2
621.18079	2.9
622.18427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14537	1.0
59.01372	12.2
63.17178	0.8
71.01369	0.8
72.99306	2.5
73.02952	1.1
85.02934	5.3
87.00892	1.0
93.03453	3.4
96.96001	1.5
101.02429	1.3
111.04472	1.1
116.78108	1.1
119.05016	100.0
120.05331	2.7
121.02927	1.6
127.04053	2.1
135.04521	11.7
153.61491	0.9
161.02322	1.8
163.03995	57.0
164.04298	1.5
179.03436	1.1
181.05049	77.0
182.05373	3.7
184.62863	1.0
191.05594	90.9
192.05937	3.3
203.89828	1.0
211.82500	0.9
223.06093	52.6
224.06374	3.0
278.88492	1.1
293.12521	1.9
331.50659	1.1
344.51450	1.0
353.08701	10.9
364.47354	0.9
411.99332	1.0
479.25403	1.1
561.33881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.7
59.01378	12.4
61.98826	19.2
64.23341	1.8
66.23502	1.9
71.01374	10.9
73.02946	6.3
75.00876	3.1
83.01397	4.5
85.02963	8.1
85.96049	1.9
89.02438	3.9
96.95999	19.3
101.02415	14.7
109.02945	1.9
113.02437	8.7
117.03449	48.4
119.05018	12.2
121.02917	2.7
125.02423	3.3
132.64554	1.8
136.94080	1.7
137.02383	2.3
145.02942	95.4
149.02415	2.3
159.02977	2.5
159.04465	3.9
161.02448	2.2
161.04541	16.1
161.05948	3.6
163.03976	4.0
171.10310	2.2
183.10217	2.3
187.04025	4.7
191.20651	1.9
261.13193	2.0
268.03793	16.4
269.04523	92.7
270.04767	4.1
277.10022	3.5
277.12872	45.7
278.13190	2.4
313.23862	4.4
357.26413	7.2
359.27982	100.0
360.28311	6.0
375.27533	4.5
383.22134	2.8
455.09775	7.3
473.10855	15.5
479.22256	2.4
541.15533	2.1
581.33234	2.1
619.14697	49.4
619.31409	24.2
620.14575	8.7
620.32147	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46517	0.2
57.03437	0.2
59.01371	1.0
61.98824	100.0
64.94704	0.2
71.01385	0.4
73.02925	0.2
75.54871	0.1
79.95780	0.1
81.03452	0.8
83.01407	0.3
83.05056	0.2
89.02421	0.2
89.22403	0.1
95.05051	0.2
96.95998	1.6
98.20584	0.3
101.02440	0.4
101.07333	0.1
109.21176	0.1
113.02431	0.3
117.03448	0.3
119.03499	0.2
125.02435	1.8
126.92788	0.1
145.02895	0.8
149.02374	0.3
163.04002	0.3
167.03362	0.2
171.10251	0.7
172.10628	0.3
173.10788	0.2
209.11879	0.5
210.12134	0.3
211.12439	0.2
285.03793	0.2
344.39206	0.2
344.65021	0.2
351.25372	0.5
359.28036	0.3
393.99591	0.2
395.24323	18.6
396.24683	1.7
445.00992	0.2
557.29443	2.2
558.30841	0.4
561.28723	0.2
563.28601	0.3
620.30194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	17.8
61.98822	100.0
63.31631	5.6
71.01388	17.2
73.02954	7.8
80.44665	7.2
89.02457	13.0
89.47710	5.5
95.60164	5.6
96.95984	20.1
98.95560	7.1
99.45485	6.7
101.02410	8.7
101.57154	6.0
116.92849	13.4
125.02439	7.2
145.02884	10.1
171.10210	17.6
195.22333	6.1
209.11810	8.0
210.12012	9.0
258.13788	6.7
339.25327	8.5
357.26291	22.1
373.32202	7.7
395.24408	16.8
619.31982	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.8
59.01367	9.2
59.41864	2.4
61.98828	14.6
71.01374	17.9
72.99264	2.3
73.02914	5.2
85.02934	5.4
87.00886	2.7
89.02448	3.3
96.96008	10.8
101.02422	17.1
104.74805	2.7
113.02419	5.7
116.10023	2.5
117.03437	10.2
118.40997	2.7
125.02459	5.7
137.02434	4.6
145.02974	28.4
145.06120	2.3
147.61710	2.7
161.04536	23.4
238.42616	2.8
261.13300	4.2
269.04538	30.6
271.06070	4.2
271.43399	2.9
277.10013	5.0
277.12885	67.7
279.13513	2.5
313.23743	6.4
316.59174	3.0
357.26248	16.0
358.26599	6.4
359.27936	100.0
360.28284	5.2
375.27502	13.5
421.25662	3.7
455.09888	3.4
619.14825	15.4
619.31952	27.6
620.32037	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	619.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71882	1.6
60.13110	1.6
61.98818	5.3
71.62401	2.5
78.95899	2.2
82.29961	1.5
104.78830	1.5
136.91370	1.5
149.74777	1.4
167.17230	1.6
184.88698	1.6
401.13889	3.6
415.15762	5.3
416.16437	10.7
430.17896	3.4
459.18207	100.0
460.18680	14.4
473.19781	13.6
474.20462	6.6
503.17010	3.8
518.19537	41.9
519.19885	4.9
532.21460	9.8
533.15381	1.4
533.21844	84.4
534.22223	13.8
587.22766	7.2
619.25543	87.7
620.25635	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	619.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.5
70.94741	0.4
71.15924	0.2
79.95732	3.1
96.96003	100.0
97.95923	0.2
113.92605	0.2
148.97569	0.2
196.46172	0.2
475.34253	0.3
486.75223	0.2
521.34967	0.9
543.33130	0.3
577.31018	0.2
616.59131	0.2
619.31653	7.3
620.31696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2553
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.08755	0.8
56.19228	0.7
61.98820	1.2
64.36636	0.6
65.14654	0.6
65.79910	0.7
68.99823	1.3
70.57591	2.6
98.19934	0.8
108.65568	0.7
152.99495	0.9
251.71843	0.8
389.15573	0.8
401.13461	1.5
415.15698	3.2
416.16333	13.8
429.17090	1.3
430.18063	2.1
431.18573	1.8
434.17212	1.1
444.15424	1.1
457.16663	1.1
458.17230	1.4
459.18188	100.0
460.18668	11.4
471.19006	0.7
473.13635	1.3
473.19757	14.7
474.20453	6.3
501.19159	1.7
503.10406	0.8
503.17133	3.1
518.19519	44.0
519.19781	5.7
532.21094	7.6
533.21838	90.5
534.22186	12.8
543.20325	1.0
587.22992	6.7
619.25500	93.6
620.25891	13.5
620.60815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78938	0.5
55.13470	0.5
55.47778	0.6
59.01369	2.4
60.99301	17.6
61.98827	2.9
63.06434	0.6
71.01369	1.5
71.63041	0.6
72.99250	0.7
79.59818	0.5
85.02954	0.6
87.00880	1.7
88.00380	2.6
88.98799	100.0
89.02430	21.3
89.99130	0.8
96.95995	1.9
97.06577	0.6
101.02440	1.5
113.02447	0.6
116.90968	0.5
120.00600	0.5
121.02938	2.0
125.02459	0.6
135.04509	0.6
136.01678	0.6
137.02429	1.1
151.04012	0.6
161.04553	0.8
165.05466	0.8
171.10246	1.2
209.11812	1.0
227.12729	0.8
263.11353	1.0
265.12854	0.6
321.56778	0.5
325.53702	0.5
353.23199	1.4
371.24554	2.6
373.25864	2.2
373.74683	0.6
387.14966	0.6
396.96692	0.5
406.07669	0.5
535.19653	0.7
537.26062	0.7
619.33752	3.2
621.57776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.1
60.99296	1.5
67.01869	3.0
71.01027	1.0
71.01369	5.7
73.02930	1.0
74.31377	0.9
80.42205	0.9
82.43633	1.1
85.02940	4.4
87.00875	8.8
89.02426	6.5
93.03446	31.7
94.03770	1.1
96.67776	0.9
96.96010	2.1
98.20699	1.9
99.00912	1.2
99.10215	0.9
107.05012	4.5
110.17422	1.0
111.04501	2.9
115.00356	8.1
117.01919	8.6
119.05019	26.4
121.06577	1.4
127.04015	1.3
129.01971	1.3
133.02937	15.3
135.04507	3.6
145.02919	1.8
147.02914	1.2
147.04486	2.1
149.06076	4.6
151.03931	1.9
155.03456	1.6
163.03993	50.6
164.04330	2.3
165.05534	1.7
173.04550	14.0
175.01239	0.9
175.02490	8.3
177.05513	3.5
181.05048	13.5
191.05592	100.0
192.06023	2.2
219.06749	1.2
221.04539	31.1
233.04567	1.2
237.07622	2.8
281.06653	8.8
337.09259	35.4
338.09637	1.7
375.37039	1.1
643.79602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.145
Annotation	Apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
57.03443	0.3
59.01374	1.6
59.54450	0.2
61.98825	2.5
63.02394	1.3
63.87422	0.2
65.00029	0.2
65.00311	0.7
69.39663	1.4
71.01369	1.2
72.99299	0.2
73.02954	0.2
75.00867	0.3
81.03444	0.1
81.52810	0.2
82.95400	0.4
83.01379	0.3
83.05011	0.2
85.02951	0.5
87.00860	0.5
87.04553	0.2
88.98796	0.6
89.02444	0.7
93.03448	0.6
95.78848	0.1
96.96018	1.0
98.62137	0.2
98.93745	0.1
101.02431	0.6
105.03478	0.2
107.01373	1.5
111.04500	0.2
113.02459	0.6
113.33696	0.1
117.03455	10.3
118.03776	0.3
119.03537	0.2
119.05031	2.0
121.02929	0.9
125.02367	0.3
135.04506	0.3
135.23489	0.2
137.02429	0.2
145.02939	14.4
146.03255	0.4
149.02463	1.0
151.00368	1.2
151.20389	0.1
157.06541	0.2
159.03249	0.2
159.04495	1.1
161.02441	1.1
161.04514	0.8
161.06012	0.2
163.03940	1.0
169.06546	0.6
171.04498	0.2
171.10231	1.2
172.10585	0.4
179.05498	0.2
180.05826	0.2
181.06512	0.4
183.04430	0.8
185.11755	0.2
187.06120	0.3
195.04520	0.2
196.05254	0.2
197.06075	0.8
199.03986	0.2
201.05525	0.8
209.11807	0.9
210.12132	0.4
224.04695	0.3
225.05565	1.5
227.03453	0.6
230.31134	0.2
239.03555	0.3
240.04234	0.4
253.04855	0.2
268.03751	5.6
269.04507	100.0
270.04861	6.5
279.10785	0.8
281.12366	0.5
311.05573	0.6
327.25229	0.3
339.25119	0.2
349.09134	0.4
355.24808	0.8
357.26419	3.0
371.24036	0.2
373.25772	0.3
389.25046	0.2
413.08783	0.2
473.10724	0.6
505.28088	0.2
559.12317	0.7
619.14496	37.3
620.14764	5.9
620.24939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88886	0.2
57.03442	0.2
59.01369	1.6
61.98831	2.7
62.52612	0.2
63.02385	1.2
65.00296	0.8
68.99566	0.4
71.01395	1.1
72.99313	0.2
73.02943	0.3
74.19299	0.2
81.03429	0.2
82.95412	0.2
83.01388	0.4
83.05019	0.3
84.95016	0.2
85.02943	0.6
87.00861	0.4
88.98797	0.5
89.02447	0.8
90.33295	0.2
93.03425	0.5
95.01409	0.2
96.96021	1.1
98.19889	0.4
99.00912	0.2
101.02454	0.8
101.06094	0.2
105.03460	0.3
107.01373	1.7
111.04552	0.3
112.98549	0.4
113.02448	0.5
117.03458	9.5
118.03805	0.4
119.05016	2.0
120.99686	0.2
121.02906	0.8
123.04503	0.2
123.11852	0.2
125.02438	0.4
135.04500	0.4
139.79285	0.2
145.02943	14.6
146.03297	0.6
149.02390	1.2
151.00378	1.1
157.06454	0.2
159.03227	0.3
159.04506	1.6
161.02466	1.1
161.04523	0.9
161.05872	0.2
163.03990	1.0
167.03540	0.2
169.06580	0.4
171.10228	1.2
172.10544	0.5
175.76237	0.1
179.05595	0.2
180.05757	0.2
181.06583	0.6
182.03685	0.2
183.04454	1.0
189.07669	0.2
196.05267	0.4
197.06076	0.5
199.03865	0.2
201.05598	0.5
209.11803	1.0
210.12154	0.7
210.35660	0.2
211.03864	0.2
224.04585	0.3
225.05534	1.5
227.03462	0.6
240.04320	0.2
241.04984	0.2
265.12753	0.2
268.03732	5.1
269.04517	100.0
270.04868	6.2
270.07813	0.3
279.10864	0.7
281.12280	0.3
293.70108	0.2
311.05609	0.5
327.25293	0.2
349.09235	0.5
355.24811	0.7
357.26462	2.6
359.28110	0.2
369.22705	0.2
371.24310	0.2
383.22128	0.6
389.25818	0.2
401.23267	0.5
413.08530	0.4
455.09476	0.2
473.10669	0.5
559.13239	0.8
559.20093	0.2
561.26678	0.2
601.20258	0.2
619.14490	36.2
619.30994	1.5
620.14813	5.2
620.24902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.24178	0.8
64.81355	0.9
67.46361	0.8
70.79841	2.1
78.95882	2.7
84.92161	0.9
114.90739	0.9
119.23071	0.9
126.15570	0.8
127.37622	1.0
152.99619	1.2
173.59079	0.9
255.23271	2.2
316.23660	1.1
399.37451	1.1
492.08301	1.0
524.84021	0.9
645.46478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
58.29148	0.2
59.01374	4.8
61.98823	2.2
71.01373	2.8
71.04997	0.3
73.02934	0.7
75.00858	0.3
80.02686	0.9
81.03466	1.0
83.01361	0.3
83.05017	4.0
84.02153	0.7
85.02953	1.0
87.00879	0.9
88.98804	0.6
89.02442	2.2
93.03455	0.3
95.01410	0.3
95.05037	0.6
96.95983	2.0
99.62065	0.3
101.02432	3.2
107.05023	0.4
110.48906	0.3
113.02439	1.8
117.03444	0.8
119.03523	0.8
119.05017	0.3
121.02964	0.3
123.60714	0.3
125.02431	0.8
125.06062	0.5
125.08590	0.2
125.09705	1.1
127.11273	2.1
135.08136	0.5
141.61174	0.3
143.03456	0.3
145.02945	1.1
145.05075	0.4
158.31500	0.3
161.02400	0.7
161.04492	1.5
163.11264	3.3
165.02036	0.3
165.12810	2.1
171.10251	100.0
172.10605	3.8
179.05621	0.6
181.12398	0.4
191.10764	0.8
209.11804	94.6
210.12140	4.0
210.23561	0.3
211.13419	0.3
227.12860	11.8
228.13142	0.7
235.08176	3.5
253.09241	8.0
268.37418	0.3
337.23590	0.4
355.24783	1.0
357.26416	0.8
395.24512	0.4
407.19070	1.8
445.20789	1.4
455.26245	0.3
485.78708	0.3
523.55927	0.3
525.55139	0.3
579.27966	0.7
581.29315	0.8
617.31415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64063	1.1
57.03423	1.0
59.01378	2.4
61.98815	1.1
69.56108	3.3
69.56523	2.5
71.01368	1.2
73.72374	0.8
87.00882	1.1
93.03447	2.8
95.01449	1.1
96.95989	1.7
98.19810	1.6
101.31264	0.9
108.02190	1.2
121.02951	5.3
122.03734	14.8
123.04516	1.5
125.02399	3.1
133.02954	1.7
134.03659	1.0
135.04501	1.8
136.01646	2.2
136.99104	0.9
137.02425	2.0
145.02936	2.1
148.23711	0.9
149.02415	25.5
150.03209	99.8
151.03577	3.0
161.02347	1.7
163.03957	2.8
164.04840	5.3
165.05548	100.0
166.02605	1.3
166.05847	4.1
168.98117	1.2
176.04784	1.1
180.04237	6.7
191.01918	1.0
191.07118	1.4
195.06602	51.5
196.06973	2.2
206.05708	1.3
207.06572	1.8
225.05598	1.2
226.06270	1.2
238.06438	1.0
240.04277	1.5
241.04883	1.6
241.08652	1.2
254.05901	1.8
255.02917	1.6
265.05026	2.3
266.05716	1.9
267.03000	1.0
269.04541	3.3
269.08051	2.0
270.05237	4.6
281.04468	2.2
282.05197	2.6
283.06149	1.9
283.09503	2.0
284.06802	1.2
285.04074	2.0
285.07629	3.2
293.04358	1.3
294.05298	2.4
295.05777	2.2
297.07571	2.1
298.04807	3.8
299.09161	1.1
308.06799	2.7
309.07602	6.9
310.04724	3.4
310.08328	3.3
311.09109	1.8
312.06467	1.3
313.07141	11.2
314.07666	1.2
319.79861	1.1
324.09863	3.0
325.07120	14.3
325.10678	2.1
326.07568	1.3
327.08707	3.6
328.05865	1.5
328.09479	17.0
329.10095	2.8
331.11902	1.1
340.09473	13.0
341.09998	1.7
342.11176	1.6
343.11832	24.0
344.12073	2.2
355.07803	1.7
355.11792	18.9
373.12805	2.2
391.08826	1.9
391.13904	37.6
392.14197	3.3
403.13901	44.0
404.14200	4.0
448.15002	1.2
461.12314	1.5
476.14725	18.8
477.15213	2.9
491.17044	48.5
492.17389	6.1
521.18109	4.3
539.19171	12.3
540.19611	1.6
549.04602	1.2
551.19360	2.2
569.20245	23.1
570.20929	2.8
617.22357	17.8
618.22186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36047	0.8
59.99964	0.8
61.98825	100.0
63.28524	0.7
67.07050	0.8
68.22646	0.8
70.62044	1.9
70.62371	0.8
73.79978	0.8
74.89196	0.9
197.11716	1.2
255.23239	2.3
270.14041	1.0
330.08826	0.9
404.42697	0.8
459.37167	0.9
459.43805	0.9
553.37402	6.8
554.37463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11784	0.6
57.03447	0.6
59.01370	2.3
60.99304	17.3
61.09494	0.5
61.98827	0.9
71.01369	0.7
71.63499	1.0
82.72385	0.6
87.00876	5.0
88.00385	4.4
88.01179	1.1
88.98801	100.0
89.02437	60.5
90.02795	0.6
117.03461	0.7
121.02949	1.5
125.02439	1.3
161.02429	1.1
171.10269	4.8
209.11810	2.6
227.12930	0.9
245.22670	0.6
297.92838	0.6
455.87140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35430	1.3
70.35819	1.4
71.01370	2.5
74.99093	2.6
78.49265	0.6
85.02950	1.6
89.32608	0.8
93.03446	0.9
95.01405	0.9
96.96003	1.3
101.02409	1.1
108.02159	56.0
109.02317	1.2
109.02961	15.3
113.02480	1.0
117.89641	0.6
123.00916	0.9
136.99118	4.5
137.02385	0.8
148.70313	0.7
151.03958	1.4
152.01131	53.0
153.01915	18.4
155.12097	0.6
163.03995	1.4
165.01877	1.5
179.03432	0.8
181.05040	0.7
247.39966	0.7
315.07181	100.0
316.07516	5.6
317.07495	0.9
319.10614	1.0
617.15686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
59.56805	0.4
61.98823	100.0
66.23013	0.4
71.01377	2.3
71.63007	0.5
72.99318	0.4
73.02950	0.7
79.32574	0.4
83.02374	0.4
83.50746	0.4
85.02939	1.2
86.59343	0.4
89.02432	0.8
96.96027	0.8
97.24992	0.4
101.02445	2.4
109.02948	0.5
110.03269	0.4
113.02460	0.8
116.59959	0.4
121.02958	0.6
125.02485	0.6
139.07494	0.4
161.04553	1.7
171.10274	2.1
209.11815	0.9
227.13045	0.5
230.76158	0.4
251.58563	0.5
261.13400	1.3
277.12949	4.6
327.25494	0.7
353.23419	1.2
354.23581	0.6
355.24997	1.5
357.26428	4.8
371.24304	2.1
372.24448	0.8
414.55655	0.4
557.25684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
59.92218	0.2
61.98809	0.3
67.91175	0.2
78.95861	0.4
79.95730	2.5
96.96000	100.0
141.05692	0.2
152.99483	0.3
173.74930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	3.1
59.02279	1.0
59.43956	1.0
61.98816	4.9
69.80334	6.0
70.59529	1.1
71.01385	3.0
73.02920	1.6
85.02998	1.3
89.02469	1.2
93.03424	3.5
95.01453	1.2
96.96008	10.2
101.02413	1.5
108.02168	1.5
109.02944	3.9
117.03455	2.4
119.04968	1.5
120.99710	1.5
121.02939	5.2
122.03722	9.7
123.00832	1.6
123.04576	2.6
124.01614	1.4
125.02406	5.5
133.02940	2.2
134.03719	2.1
135.04590	2.5
136.01617	2.7
137.02428	19.4
145.02916	10.7
147.04500	7.6
148.01624	1.4
149.02405	19.0
149.06053	2.8
150.03210	64.8
151.00314	2.2
151.04024	8.6
158.03729	4.2
159.04483	3.4
160.05307	10.0
161.02406	2.1
161.06032	4.9
162.03195	4.9
163.04012	11.0
164.01094	1.6
164.04811	9.9
165.01907	89.1
165.05550	59.4
166.02361	3.5
166.05962	3.5
167.03453	1.8
171.10225	1.3
173.06024	3.4
174.03174	2.2
175.03986	8.2
175.07620	14.1
176.04698	4.1
177.01904	1.5
177.05534	13.2
178.06268	3.6
179.03462	19.2
179.07037	5.6
180.04254	54.0
181.04910	3.8
187.40598	1.0
188.04694	3.1
189.05463	3.2
190.06293	6.5
191.03436	1.7
191.07130	6.2
192.04280	2.0
193.05000	4.0
194.05855	7.7
195.06593	100.0
196.06958	3.0
205.05107	1.6
205.08649	8.0
206.05827	3.0
207.06534	4.7
208.07362	3.8
209.08138	3.6
210.05365	9.0
216.93642	1.4
222.08960	1.7
225.07643	51.8
226.07983	2.8
272.99146	1.1
345.12897	1.4
357.13422	1.4
359.14935	40.5
360.15311	4.2
371.14761	1.9
385.99728	1.3
387.14966	1.5
388.15332	1.4
389.15997	35.1
390.16388	3.3
453.24686	2.7
477.15662	2.1
507.20108	1.5
522.18774	1.8
537.21228	87.2
538.21527	11.6
549.21442	1.9
567.22198	2.7
579.27716	3.8
585.23322	22.1
586.23352	2.7
615.15436	1.6
615.24268	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	615.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57779	0.8
59.01372	1.9
59.84787	0.6
61.98822	0.9
67.01881	1.1
71.01367	1.3
71.62872	1.5
71.63258	1.0
81.03447	0.7
81.56979	0.8
89.02445	1.1
93.03444	1.7
96.96030	4.4
101.02478	0.9
108.02144	0.9
109.02949	3.7
112.80406	0.7
119.05019	0.9
120.99635	0.9
121.02975	4.4
122.03721	1.4
125.02435	4.5
131.03484	0.8
135.04526	2.9
136.01627	2.2
137.02437	17.8
145.02962	4.2
146.99606	0.7
147.00853	1.5
147.04501	1.3
149.02441	1.9
150.03183	2.6
151.00381	1.4
151.03990	1.7
161.02551	1.0
162.03252	1.2
163.03995	5.8
164.01140	2.5
164.04868	0.8
165.01915	100.0
165.05534	3.6
166.02287	3.9
167.03502	1.4
174.03195	1.2
175.04008	4.2
176.04665	1.4
177.05519	2.0
179.03465	22.8
180.04262	56.8
181.04707	1.8
188.04736	0.9
189.05559	2.6
190.06310	8.6
191.05615	1.1
191.07079	4.5
192.04330	1.0
193.05048	2.5
194.05820	10.0
194.07416	1.2
195.02951	2.3
195.06599	75.7
196.06950	3.4
197.65839	0.7
203.07158	1.2
205.08664	6.9
207.06566	5.8
208.07402	5.8
209.08159	2.1
210.05302	9.4
222.09024	1.4
223.08211	5.5
225.07651	58.0
226.05882	0.9
226.08022	3.1
278.04233	0.8
297.11377	1.1
345.13342	2.6
359.14935	40.7
360.15305	4.4
373.25986	2.7
375.14508	1.3
388.15640	1.3
389.15997	3.3
395.20709	1.1
453.25140	1.6
521.18195	0.9
537.17877	1.1
552.19989	1.4
567.22260	53.0
568.22559	7.7
579.28595	3.0
615.24017	4.5
615.33020	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	614.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74686	0.1
61.98844	0.2
62.56785	0.2
69.77869	0.9
77.39056	0.2
78.95898	0.7
79.95730	2.3
93.22416	0.2
96.96003	100.0
97.95930	0.2
98.20633	0.2
135.72591	0.1
369.31061	0.2
542.80664	0.2
583.49274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36367	0.2
61.98816	0.4
66.53926	0.2
69.58173	1.4
78.95902	0.6
79.95730	2.3
89.78275	0.2
96.95998	100.0
97.95934	0.4
138.02463	0.2
225.11317	0.3
292.11292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01369	2.5
61.98820	3.2
63.02382	1.4
64.99984	0.7
65.00315	10.5
71.01383	0.9
71.63039	0.4
73.02949	0.5
74.45940	0.4
81.03471	0.8
83.01379	4.7
84.95119	0.4
87.00864	5.9
88.00401	0.4
88.98782	0.4
89.02457	0.4
91.18650	0.4
96.96010	4.8
101.02407	0.7
107.01374	19.0
107.04994	0.4
108.01672	0.5
109.02948	1.6
112.27638	0.4
116.92850	0.4
117.03431	2.8
119.05011	1.1
121.02911	0.8
123.04514	0.6
125.02441	5.5
133.02942	0.7
134.03705	1.2
135.04504	69.7
136.04799	1.7
137.02426	0.8
145.02921	6.9
147.04558	0.6
151.00348	100.0
152.00690	2.5
159.87344	0.4
161.02409	5.1
163.03970	1.6
163.05219	0.4
164.01118	0.6
165.01912	0.6
165.46620	0.4
169.01404	1.3
171.10246	0.8
171.26193	0.4
177.01900	0.8
201.05379	0.4
209.11771	0.5
225.11346	0.6
239.32056	0.4
247.81395	0.4
269.04352	0.8
271.02097	0.4
285.03964	0.6
287.05563	68.4
288.05911	3.4
417.24658	1.3
431.09888	1.9
449.10840	3.3
453.25354	0.8
463.19739	0.5
546.76324	0.4
579.27948	8.1
580.29260	0.8
615.20721	36.2
615.31750	1.6
615.34900	1.4
616.20996	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	613.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01351	2.0
68.35008	0.9
78.89094	0.9
92.17377	0.9
96.95954	1.4
99.08116	1.1
125.09699	1.8
127.11278	1.3
151.11241	1.5
171.10254	47.8
191.06905	1.2
249.22165	2.0
259.20346	1.2
275.82773	1.1
277.21692	54.7
278.22052	4.2
281.92877	1.0
289.93079	1.0
295.22754	100.0
296.23010	6.8
299.19870	1.1
316.07330	1.1
317.20935	39.7
318.21240	2.7
361.19751	6.0
613.44385	98.4
614.44592	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	613.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29198	0.5
58.81017	0.6
59.01382	1.5
60.08184	0.5
61.98827	2.2
63.36173	0.5
71.63010	0.5
93.03448	3.4
95.01393	0.6
96.96009	1.9
109.02927	1.5
117.03443	1.2
121.02949	6.3
122.03737	14.3
123.00872	1.9
123.04522	0.7
124.01604	1.1
125.02422	1.8
133.02936	1.8
135.04500	1.3
136.01633	2.3
137.02423	6.6
145.02928	1.5
149.02428	17.4
150.03212	93.5
151.00371	4.6
151.04018	3.8
159.04251	0.5
161.02426	2.9
163.03987	1.2
164.04785	4.0
165.01918	25.6
165.05548	100.0
166.02684	8.8
166.05846	4.6
167.03433	0.9
175.04074	0.8
177.05495	1.1
179.03513	3.9
180.04265	19.8
181.05043	15.8
187.03995	1.0
191.03552	0.6
193.05060	0.9
194.05800	0.7
195.06602	89.1
196.06992	3.1
205.05040	1.8
210.05310	3.4
220.07297	1.7
221.08081	1.1
225.07658	19.4
226.08095	0.6
284.03168	0.8
285.03897	1.0
357.09586	0.8
357.13449	1.3
372.12021	0.6
387.10715	1.5
387.14633	11.5
388.14905	0.9
402.12967	1.4
403.13873	1.7
417.15518	16.5
418.15488	1.3
451.23022	1.3
477.92249	0.6
565.20782	5.0
566.20776	0.7
577.26630	3.2
583.21979	0.7
613.22241	2.5
613.32568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.8
59.58672	1.1
61.98819	6.9
63.45805	1.1
71.01369	3.4
71.62801	1.6
73.02949	1.3
79.05604	1.4
81.03451	11.4
82.82991	1.2
83.05017	61.4
85.02957	1.4
87.00838	1.3
88.98802	1.6
89.02431	2.8
93.03453	21.1
96.95996	6.6
98.95566	1.4
101.02381	1.7
108.02156	1.7
109.02942	100.0
111.04510	62.3
111.05290	2.0
112.04869	1.3
112.98557	1.6
113.02428	1.8
119.05071	1.4
121.02941	25.2
123.04513	71.7
124.04825	1.7
125.02428	1.9
127.04007	2.3
127.52805	1.3
137.01414	2.2
137.02426	28.4
145.02939	1.4
147.04504	42.0
148.98811	1.1
155.02208	2.2
155.03485	40.1
161.04500	1.3
161.06111	1.3
163.03998	1.3
171.10173	4.0
173.14896	1.5
209.11853	2.1
223.13425	3.1
314.23978	1.5
359.24359	1.4
359.28098	12.4
473.83066	1.2
553.17188	12.2
554.17432	2.2
604.25024	1.4
613.37793	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	613.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29655	2.7
59.01376	24.2
60.88742	2.6
61.98824	24.6
68.99561	2.8
70.19921	11.7
71.01363	6.4
80.96512	3.0
81.03450	10.1
82.67988	2.5
83.01364	3.6
83.05015	47.7
85.02966	3.9
88.98828	3.3
89.02431	5.3
91.01027	2.6
93.03448	9.3
96.96009	34.9
101.02448	5.6
109.02934	29.3
111.04498	26.7
112.98561	3.4
113.02441	4.5
117.03447	4.7
121.02953	22.6
123.04517	34.6
125.02433	7.2
135.08118	8.1
137.02443	42.6
145.02960	9.4
147.04509	100.0
155.03477	35.6
161.02405	5.0
171.10239	10.0
179.03836	3.1
185.11795	3.4
196.78445	2.7
209.11789	5.3
223.13394	8.2
229.04169	3.6
405.11865	16.0
459.22659	3.3
553.17090	21.0
571.04663	3.4
613.30695	5.6
613.39520	11.6
629.83691	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	613.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.5
58.49745	0.3
59.01374	16.7
59.29995	0.3
60.01703	0.7
60.99289	0.5
61.98824	7.7
63.02388	0.9
65.00322	0.9
69.47990	1.9
69.48398	0.9
70.24784	0.4
71.01382	1.4
73.02962	0.6
79.95740	0.4
83.01379	0.4
85.02919	0.4
88.98791	4.2
89.02431	0.4
93.03426	1.0
94.48365	0.3
96.96008	5.0
101.02422	1.0
107.01371	1.1
109.02902	0.8
113.02392	0.5
113.99601	0.4
116.92876	0.5
117.03450	7.8
119.05017	2.4
120.99626	0.4
121.02952	1.0
123.04540	0.6
125.02450	2.6
135.04546	0.6
136.01649	1.1
136.77513	0.4
137.02393	0.9
140.99934	0.4
145.02939	15.6
146.03256	0.5
149.02415	2.1
150.03163	1.3
151.00371	1.8
151.03925	1.5
151.07716	0.4
159.04506	1.0
161.02399	2.8
161.04498	0.5
163.03935	1.8
164.04681	0.5
165.01907	0.7
165.05527	1.8
166.05911	0.7
169.06659	0.6
177.02002	0.4
179.03464	0.7
183.04417	0.6
183.10236	1.3
194.05687	0.4
195.06563	1.7
196.05249	0.4
196.06992	1.0
201.05574	0.7
219.10262	0.3
223.08153	0.7
225.05507	1.3
225.11211	0.7
268.03748	3.1
269.04504	100.0
270.04837	5.6
285.03879	1.3
307.08185	0.5
341.13876	0.9
342.14349	1.8
343.14468	0.7
371.24384	1.0
431.09860	0.7
451.23874	0.7
467.72733	0.4
523.45264	0.4
529.40112	0.4
550.15710	0.4
577.13434	53.7
577.26398	2.2
578.13715	6.4
600.24469	0.4
613.14099	1.2
613.31653	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	611.345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
58.00579	0.4
59.01380	2.1
61.72484	0.2
61.98822	4.0
63.13399	0.3
69.03445	0.6
69.55323	1.6
71.01376	8.2
73.02941	2.1
79.95721	0.7
80.96513	2.8
81.03438	0.5
82.96098	1.8
83.01392	0.7
83.05042	0.4
85.02951	4.0
87.00858	0.7
89.02433	1.0
93.03424	0.3
94.98075	0.7
95.01379	2.5
96.95993	2.5
97.02934	0.4
99.00854	0.7
101.02436	3.3
101.24001	0.3
105.97923	0.2
108.02162	12.7
109.02945	14.7
110.03277	0.4
113.02434	4.6
121.02910	0.8
122.03753	0.7
123.00874	1.6
125.02422	1.2
125.09716	0.8
135.04547	0.5
137.02429	1.2
141.12805	0.3
143.03433	0.8
145.02930	0.4
151.00412	0.4
151.03993	0.4
159.02962	1.1
161.04546	13.6
163.03940	0.4
164.98595	0.3
166.98148	0.3
167.03525	0.3
171.10297	0.3
177.01961	0.3
184.21930	0.3
185.11813	0.3
199.13379	1.0
205.03403	0.4
213.15045	0.5
213.17332	0.3
225.00673	0.6
235.08237	0.8
237.09755	0.4
267.23090	0.3
271.08194	4.7
271.10962	0.5
285.03973	0.4
297.24323	0.7
309.24344	1.2
311.22278	1.5
311.25552	0.4
325.23804	0.4
327.21497	0.5
327.25330	7.4
328.25909	0.3
339.25323	6.1
340.25748	0.3
355.24982	0.9
357.26416	100.0
358.26740	7.8
363.60483	0.3
373.25793	0.4
399.27554	1.2
423.27469	0.5
449.32831	1.4
453.28534	0.9
501.30646	0.5
557.78607	0.3
611.25073	6.4
611.34558	1.2
612.26257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74859	0.9
59.01368	2.8
61.98820	3.3
63.02399	1.1
71.01379	1.5
93.03451	1.7
94.09768	0.9
96.96014	3.9
107.01356	2.2
116.92822	1.2
117.03452	41.0
119.05003	8.8
119.05797	1.4
121.02916	1.1
125.02427	2.5
133.02937	1.3
135.04582	1.1
139.03969	2.3
139.49100	0.9
145.02939	99.2
145.15828	1.1
146.03239	2.7
149.02359	2.6
150.03221	2.2
151.00385	1.9
161.02429	1.7
163.04041	5.1
165.05524	1.9
268.03735	15.7
269.04507	97.6
270.04880	6.3
284.03091	1.4
285.03970	3.7
307.08325	1.0
413.08713	10.3
431.09714	12.4
432.09949	1.2
451.23105	1.5
507.22427	2.6
577.13440	100.0
577.27191	2.8
578.13757	12.1
613.28174	1.1
621.03247	1.1
636.60950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71674	0.2
61.20088	0.2
70.20570	0.3
70.20965	0.5
73.55215	0.2
78.95889	2.7
79.95733	3.4
83.85867	0.2
90.76706	0.2
96.96004	100.0
96.96884	3.5
97.95910	0.3
120.04834	0.2
191.05339	0.2
243.55980	0.2
277.21744	0.8
314.48474	0.2
398.23892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53959	0.3
70.20815	0.3
70.21163	1.1
71.01373	0.3
78.95889	1.9
79.95735	3.3
96.96002	100.0
96.96880	2.7
118.96568	0.2
196.80040	0.3
209.66338	0.3
240.52881	0.3
277.21741	0.7
291.03784	0.3
333.04984	0.4
351.06088	1.2
551.25177	0.5
591.73370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86915	0.7
58.00575	2.1
59.01376	47.9
59.53661	0.7
71.01379	26.6
72.99283	2.0
73.02962	1.2
83.01363	1.6
85.02920	7.0
87.00874	1.5
89.02444	23.9
89.86614	1.0
95.01356	2.1
99.03882	1.4
99.04510	23.3
101.02428	14.7
111.04467	1.5
113.02442	7.9
119.03499	5.9
143.03430	1.1
163.14923	1.0
179.05586	1.5
189.12839	5.8
207.13870	38.9
208.14139	2.0
229.63010	0.9
233.11877	0.9
251.12849	68.6
252.13185	3.0
255.02867	1.2
256.02896	0.9
269.13797	1.4
271.02441	1.8
271.94186	0.7
272.02628	1.2
273.02887	1.3
283.77448	0.9
300.02618	3.5
301.03180	2.1
302.03247	3.4
431.19162	81.6
432.19632	5.4
449.20218	1.6
453.66507	0.8
585.80920	0.8
611.15350	7.8
611.25378	100.0
612.16309	1.0
612.25696	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	611.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
58.00598	2.5
59.01376	61.3
59.98526	0.9
60.01710	1.2
69.54095	0.9
69.54506	4.2
71.01377	31.4
72.99307	3.0
83.01424	1.5
85.02952	7.1
87.00919	1.1
89.02435	29.1
90.02802	0.9
90.90743	0.6
95.01399	3.4
96.96011	1.3
99.04514	24.1
101.02435	16.5
110.84019	0.7
111.04546	1.9
113.02436	8.9
114.02744	0.8
119.03508	8.0
121.06637	1.9
126.35089	0.8
135.04494	1.7
135.09213	0.7
138.81996	0.7
143.03502	1.2
146.28349	0.7
161.04568	0.8
179.05612	1.9
189.12852	6.6
207.13882	40.3
208.14275	2.1
209.11989	1.1
233.11803	1.4
251.12854	81.5
252.13235	4.9
269.13885	1.6
285.03909	3.2
286.04367	3.5
287.04700	2.4
387.20059	0.8
431.19159	100.0
432.19461	9.0
447.09412	1.3
448.09937	0.9
449.09616	4.0
449.20148	1.5
471.44476	0.9
497.01395	0.8
611.25464	97.6
612.25806	12.5
627.53699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04045	0.5
57.03436	2.8
59.01373	100.0
60.01699	0.7
61.98820	8.8
63.99243	0.9
65.00330	0.9
68.53971	0.5
69.34059	3.4
69.34464	1.0
71.01382	2.5
73.02952	0.9
82.95412	0.8
83.01387	1.5
85.02964	1.3
88.98807	0.6
89.02456	2.0
90.54499	0.4
93.03480	0.6
93.19035	0.5
96.96018	1.5
101.02431	1.4
107.01386	1.2
108.02202	0.6
109.02969	1.2
113.02457	0.8
116.92879	1.4
117.03493	0.7
119.05039	0.6
121.02991	2.1
122.03763	1.2
123.00893	1.3
123.04539	0.6
124.01672	1.3
125.02435	12.3
125.03282	0.8
133.02921	1.0
134.03738	0.8
135.04572	1.0
136.01657	11.6
137.02452	2.5
137.06125	0.5
139.03992	1.0
145.02933	1.6
147.04561	1.2
149.02405	10.0
150.03218	11.9
151.00375	4.8
151.03995	16.3
152.01167	1.0
153.01933	2.2
160.01686	1.1
161.02449	2.4
161.04543	1.2
163.04025	1.7
164.04736	4.5
165.01917	3.2
165.04128	0.9
165.05545	18.2
166.05966	0.9
167.03519	2.5
172.49942	0.6
175.04047	1.5
177.02000	1.7
178.06335	1.5
178.99846	3.8
180.04301	1.2
183.10294	1.5
189.01875	0.6
191.03419	1.2
193.01392	14.3
193.05084	0.7
193.08717	3.0
195.06596	23.0
197.11894	1.1
200.59669	0.6
217.01454	0.8
225.11357	0.5
227.03564	0.9
233.04642	0.8
255.03038	2.1
275.05634	1.5
280.01834	0.6
283.02484	5.4
285.04117	0.6
301.03528	1.6
311.05615	0.7
313.55060	0.7
326.11591	3.9
341.13889	23.8
342.14420	1.5
386.78256	0.5
389.15997	5.0
399.24176	0.7
411.24161	1.3
435.10849	0.7
485.10876	4.1
548.14874	0.9
549.16150	2.1
567.15582	1.0
583.15393	0.8
593.13055	7.0
593.29736	1.4
594.13501	0.9
611.13849	7.6
611.30365	2.4
612.14520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26455	0.4
57.03443	2.2
59.01376	2.1
61.98825	27.6
63.02395	0.7
65.00319	12.3
65.57008	0.4
71.01387	1.9
71.62783	0.6
73.02944	0.6
83.01377	6.2
85.02951	0.6
88.98805	1.6
89.02404	0.5
93.03477	1.2
95.05047	1.1
96.95997	2.7
101.02457	1.0
105.03428	1.3
107.01382	17.2
107.02116	1.0
107.05017	0.9
108.02191	0.7
109.02955	1.1
117.03450	2.7
119.05013	6.2
120.99622	0.9
121.02958	1.5
123.04515	1.4
124.01665	0.6
125.02425	18.3
126.02823	0.7
133.02948	2.1
135.04514	9.7
136.01639	0.7
137.02394	0.7
137.06056	0.5
142.66183	0.4
145.02933	12.8
147.04472	0.7
149.02440	1.9
150.03217	3.6
151.00362	76.2
151.03986	100.0
152.00688	3.1
152.04359	3.5
161.02415	7.0
161.06067	0.5
163.04002	5.2
165.01865	1.2
167.03407	0.7
169.01416	0.8
171.24196	0.4
175.00320	1.3
175.03963	2.0
176.01137	1.1
177.01906	13.7
177.05452	0.6
178.99774	0.8
179.03542	1.0
181.05060	0.6
187.04086	0.6
189.05357	0.6
191.03342	0.4
191.05539	0.8
203.03441	1.4
211.13344	1.7
212.13779	1.0
215.03516	0.5
216.04150	0.5
217.01613	0.5
217.05081	1.2
221.04559	1.0
233.08141	1.3
253.09007	0.5
259.06073	0.9
269.04565	0.7
275.05618	0.7
285.04095	3.6
285.42300	0.5
287.05530	4.0
300.02780	1.2
301.03442	2.3
302.03909	0.6
303.05063	16.7
304.05182	0.8
307.08209	2.9
313.09253	13.9
314.09625	1.5
323.07666	5.1
339.07126	1.0
398.13837	0.7
447.08899	0.6
449.10651	1.4
459.12912	29.3
460.13318	2.4
465.10269	7.1
485.10773	11.2
486.10983	1.2
501.10202	0.7
611.13922	39.6
611.30060	1.4
612.14319	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	16.3
59.01358	2.6
61.98822	2.4
63.02389	2.6
65.00311	6.1
67.01884	1.2
68.99790	0.7
69.40233	2.2
69.40651	2.8
71.01377	1.9
72.99318	0.7
73.02950	0.9
77.03928	0.9
81.03458	1.4
82.95412	0.6
83.01379	7.8
85.02932	1.2
89.02457	0.6
93.03440	2.0
95.01375	2.6
96.96009	1.1
107.01379	9.8
109.02924	6.5
111.00840	1.6
111.04556	0.8
113.02431	0.9
117.03482	1.0
117.36156	0.6
119.04997	1.6
121.02938	3.9
121.06541	1.0
123.00864	7.0
123.04494	1.7
124.01654	7.1
125.02434	80.7
126.02770	2.2
133.02896	1.4
134.03699	0.8
135.04500	2.7
137.02425	13.8
139.00365	0.7
139.04002	5.9
145.02914	2.1
147.00838	2.0
147.04536	5.0
149.02426	2.7
149.06097	1.1
150.03261	1.1
151.00357	32.3
151.03998	1.9
152.01138	8.0
153.01910	16.2
154.05954	0.7
155.03502	2.0
159.04465	1.6
160.01553	0.8
161.02383	4.2
161.06053	1.6
162.03221	1.1
163.00391	3.6
163.03935	2.0
164.01064	2.0
165.01906	16.9
166.02603	1.3
167.03479	12.9
169.01382	1.6
173.02472	0.9
174.03246	1.0
175.00359	5.2
175.03981	2.3
176.01146	2.2
177.01933	5.1
177.05505	1.2
178.02554	0.8
178.99837	34.0
180.00261	1.1
181.01489	1.7
183.04538	1.5
185.02455	1.1
187.04002	3.6
188.04628	1.4
189.01939	2.5
189.05569	1.3
190.02713	3.7
190.99863	1.1
191.03465	13.0
192.00595	2.8
193.01387	100.0
194.01741	3.8
201.05516	1.5
203.03444	1.1
204.04216	1.0
205.05014	4.0
207.03003	1.0
209.04497	1.2
211.03983	5.0
211.05904	1.3
213.01917	1.4
213.05559	1.2
214.02679	1.6
215.03441	5.5
217.01410	1.0
217.04942	1.1
227.03537	4.9
228.04053	0.9
229.05022	3.5
231.02948	2.0
231.06464	1.1
232.03746	2.6
233.04494	8.5
235.02467	0.8
237.57120	0.8
239.03429	3.7
247.06093	1.6
255.02966	14.4
256.03693	3.2
257.04498	5.1
272.03293	1.0
273.04037	1.0
274.04938	1.7
275.05609	11.1
283.02444	48.4
284.02805	3.0
285.04080	0.8
291.05106	1.0
300.02695	2.2
301.03506	11.3
305.59683	0.7
319.04553	2.6
375.21808	0.9
394.66052	0.7
411.23734	1.3
431.26453	1.0
457.11200	1.7
459.12802	1.6
467.10028	1.2
483.12903	2.0
485.10828	28.4
486.10989	3.1
525.13873	1.1
549.14777	1.5
567.15015	4.2
583.14404	7.9
593.12921	55.1
594.13495	7.0
611.13971	52.7
611.30511	3.7
612.14313	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	611.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	16.9
59.01369	3.2
61.98811	1.7
63.02400	1.1
65.00314	2.4
70.37103	0.8
71.01386	2.3
71.62992	0.8
71.79420	0.8
73.02920	1.0
79.04071	0.9
81.65431	1.2
83.01363	4.1
85.02966	1.0
87.00845	1.3
88.98814	2.5
89.02414	1.2
93.03465	4.2
95.01376	3.8
96.95985	3.9
107.01396	1.8
109.02917	3.1
111.00878	1.8
113.02452	0.9
117.03456	2.9
119.05016	4.1
121.02950	2.9
123.00845	2.1
123.04489	3.7
124.01675	5.6
125.02435	100.0
126.02767	3.0
133.02928	3.8
135.04517	1.7
136.01645	1.4
137.02415	10.6
139.00331	0.9
145.02936	19.8
147.04524	1.8
149.02422	4.0
150.03194	2.6
151.00356	9.5
151.03986	7.0
152.01158	12.4
153.01949	5.3
154.63057	0.9
161.02374	1.9
161.06027	2.0
163.00339	1.3
163.03976	3.7
165.05489	1.5
172.05273	2.0
173.06029	2.3
174.03195	2.8
175.04022	5.3
176.01091	2.6
177.01883	3.6
178.99863	7.1
179.03458	5.0
185.06003	1.1
188.04742	1.3
189.05557	9.7
191.03490	2.0
191.07166	1.0
193.04999	2.9
199.04018	1.2
207.13873	1.1
215.07066	3.7
216.04192	1.9
217.05029	22.3
218.02094	1.9
219.03090	1.3
231.06505	3.7
239.05696	4.5
241.05014	1.4
257.04599	1.7
258.05270	1.6
259.06085	21.7
260.06439	1.2
275.05646	2.2
284.03116	1.1
285.04016	28.9
286.04340	2.4
299.07687	3.8
303.04959	5.5
307.08145	3.5
315.05185	1.0
381.08325	1.0
421.11432	3.3
437.10773	1.2
447.09265	5.2
449.22134	1.1
465.10315	11.4
466.10324	1.0
480.37051	1.0
507.22269	1.4
551.21210	1.7
567.14996	5.3
583.14594	4.3
593.12982	10.8
611.13928	91.6
611.29944	2.4
612.14252	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	611.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	17.4
59.01371	3.0
61.98826	4.0
63.02378	3.4
65.00318	5.8
68.99801	0.8
69.35894	3.2
69.36317	2.1
70.33350	0.6
71.01367	1.0
73.02950	0.9
81.03454	1.7
83.01374	8.5
83.31049	0.7
85.94093	0.6
88.52160	0.6
93.03439	1.3
95.01372	3.2
95.44077	0.6
96.96005	2.3
97.02916	0.6
101.02449	1.0
107.01376	9.2
109.02950	7.7
111.00875	1.1
111.04484	0.8
115.71597	0.6
117.03409	1.1
119.05026	1.7
121.02958	4.0
123.00877	6.2
123.04497	1.5
124.01665	5.6
125.02433	88.2
126.02778	2.2
133.02983	0.9
134.03761	0.9
135.04527	3.4
137.02432	13.6
138.03265	1.1
139.00406	0.9
139.03984	5.2
145.02960	2.7
147.00899	1.0
147.04500	5.7
149.02390	2.8
151.00352	34.5
151.03973	1.9
152.01149	9.1
153.01921	17.8
155.03447	3.0
157.03052	0.6
159.04485	1.9
161.02419	4.0
161.06041	2.7
162.03156	0.9
163.00395	3.2
163.03998	2.7
164.01132	2.7
165.01904	18.3
165.05602	0.7
166.02597	1.6
167.03473	16.1
169.01396	2.8
171.04567	0.7
173.02368	1.4
175.00345	5.9
175.03986	2.2
176.01094	2.1
177.01895	5.1
177.05486	1.1
178.99831	36.3
180.00192	1.2
181.01395	3.6
183.04488	2.0
185.02397	1.3
185.06075	1.4
187.04001	4.1
188.04718	1.0
189.01936	3.0
189.05592	1.8
190.02689	4.1
190.99783	1.2
191.03491	13.2
192.00533	2.9
193.01389	100.0
194.01735	4.0
197.51639	0.6
199.03978	1.1
201.05508	1.6
203.03464	1.6
204.04285	1.0
205.04982	4.8
206.02156	0.9
207.02956	0.9
207.06613	1.8
209.04518	1.8
211.03929	3.8
211.06065	2.4
213.01857	1.3
213.05479	1.1
213.10039	0.7
214.02675	1.8
215.03462	6.7
217.01390	1.3
217.04999	1.0
227.03439	4.2
228.04144	0.9
229.05023	3.0
231.02979	2.3
232.03740	3.2
233.04500	9.8
235.02466	1.2
239.03471	4.1
242.02286	0.7
243.02946	0.8
245.04634	0.9
246.05124	0.9
247.05943	1.2
255.02950	14.6
256.03571	2.9
257.04526	6.5
273.04144	1.5
274.04797	1.5
275.05609	9.8
277.43237	0.6
283.02444	44.2
284.02798	2.5
291.05054	1.5
300.02637	2.3
301.03482	11.5
302.03683	0.7
319.04556	3.0
411.23740	1.4
431.26199	0.9
449.10681	1.0
457.11252	1.2
459.12802	2.0
467.09573	1.7
483.12756	2.1
485.10815	29.4
486.11276	3.3
549.13910	1.7
567.14905	5.4
583.14612	6.4
593.12939	52.5
594.13269	7.5
611.13922	56.7
611.30298	3.1
612.14142	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	611.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.1
59.01369	2.0
59.88411	0.5
61.98818	0.9
63.90088	0.5
65.00310	1.7
66.11414	0.5
69.66897	2.4
69.67306	1.2
71.01358	0.8
81.03436	0.6
83.01392	3.5
88.98815	0.7
93.03458	1.0
95.01390	2.9
96.95975	1.2
107.01380	2.4
108.02145	0.8
109.02937	2.5
111.00854	1.0
117.03432	4.4
119.04992	3.7
121.02927	2.5
122.03701	0.6
123.00866	1.5
123.04505	3.0
124.01641	6.4
125.02431	100.0
126.02769	2.5
133.02919	4.2
135.04501	1.9
137.02431	2.1
139.00415	0.8
139.03992	1.4
143.05043	0.6
145.02931	17.0
145.06602	0.6
146.03595	0.6
147.04520	1.8
149.02422	3.2
149.06122	0.8
150.03204	3.0
151.00359	8.9
151.03957	6.0
152.01137	11.9
153.01927	4.9
159.04514	0.9
160.05235	0.6
161.02440	2.5
161.06073	2.6
163.00345	1.0
163.03957	3.5
163.11197	0.7
164.01143	0.7
165.05621	0.7
171.04422	1.0
172.05302	1.6
173.06119	1.5
174.03204	2.1
175.03984	7.3
176.01144	2.0
177.01956	5.4
177.05463	0.8
178.99820	7.0
179.03438	1.4
185.06052	1.3
187.03986	0.9
187.07664	0.8
188.04747	1.6
189.05545	9.7
191.03465	1.8
191.07156	0.6
193.05038	2.1
197.00195	0.6
197.06071	0.9
199.04008	2.3
201.01877	0.8
203.07053	0.7
213.05592	2.3
215.03566	1.1
215.07088	1.8
216.04219	1.8
217.05025	22.2
218.02232	0.7
218.05362	0.7
219.02965	1.5
221.04387	0.7
227.03505	0.8
231.06566	2.0
235.06085	0.6
241.05060	1.9
243.02861	1.1
253.09323	0.7
257.04388	1.3
258.05334	1.0
258.79828	0.6
259.06061	21.6
260.06479	0.8
268.03680	1.0
269.04538	3.1
274.04941	0.8
275.05649	3.7
281.06635	0.7
284.03287	2.6
285.04019	32.0
286.04358	1.9
303.05017	6.9
304.05960	0.5
307.08142	4.1
341.08932	0.7
357.26291	0.6
375.27603	1.0
395.32761	0.6
407.01797	0.5
421.11435	3.4
437.10977	3.7
447.09277	5.5
448.09299	0.9
449.20117	0.8
457.11716	0.6
465.10233	10.7
466.10834	1.2
489.10165	0.9
501.69614	0.6
525.13788	0.7
567.15076	5.4
568.15039	0.7
583.14514	4.3
593.12952	11.5
594.12927	1.5
611.13965	89.7
612.14252	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	611.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01251	0.5
56.16483	0.4
57.03445	7.1
59.01373	1.1
59.15666	0.5
61.98834	1.0
62.69643	0.5
63.02390	2.1
65.00324	4.6
68.99809	0.8
69.32445	0.5
69.40105	3.5
71.01384	0.6
73.02936	0.6
81.03436	0.5
83.01378	5.9
85.02979	0.5
87.00862	0.8
93.03444	1.7
95.01363	0.9
96.96013	0.8
97.02917	1.1
98.19809	0.9
99.16490	0.5
101.02510	0.5
107.01388	7.3
108.02190	0.9
109.02934	4.3
117.03483	1.9
119.05028	1.9
121.02952	2.7
123.04547	3.8
124.01648	2.0
125.02439	100.0
126.02760	2.3
133.02965	0.6
137.02414	4.6
139.03992	3.2
145.02957	5.0
147.04524	1.5
149.02437	12.7
149.99544	0.5
150.03238	1.2
151.00363	29.5
151.04004	3.3
152.01129	2.9
153.01924	36.8
154.02299	1.1
160.01689	0.5
161.02425	1.9
161.06001	0.8
163.00345	3.2
163.03990	3.0
165.01923	1.1
166.02689	0.8
166.04063	0.5
167.03485	2.2
169.01410	0.6
171.04526	0.6
173.06091	1.0
174.03281	2.5
175.00443	2.8
175.03984	12.9
175.05476	0.8
176.01140	1.2
177.01912	19.8
178.02318	0.8
178.99843	20.5
179.03493	2.1
181.01442	2.5
188.04829	1.8
189.01956	0.5
189.05544	3.8
191.03412	2.4
193.05009	1.2
195.02998	1.7
197.06221	0.7
199.04005	6.7
201.01880	2.6
207.03127	0.9
213.05577	1.8
216.04291	1.6
217.05026	7.7
219.02937	0.8
231.06604	0.9
241.05055	5.9
243.02940	1.6
243.08577	0.5
256.03720	0.7
257.04550	0.9
259.06012	3.5
275.05579	18.3
276.05969	1.3
284.03299	1.6
285.04010	61.2
286.04370	4.3
299.05576	5.8
303.05057	84.7
304.05399	4.9
307.08084	1.4
309.03873	1.1
327.05042	2.2
459.09253	1.7
460.09680	1.0
461.10809	7.3
471.09155	1.3
487.08627	5.8
488.09030	0.8
489.10382	2.2
583.14331	4.8
588.22217	0.6
593.12970	6.6
594.13147	1.3
611.12921	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30752	0.5
57.03440	7.9
59.01354	1.2
61.98816	0.7
63.02391	1.6
65.00315	5.1
66.22633	0.6
67.01866	0.6
68.99820	0.7
69.03456	0.6
71.01364	0.6
73.02942	0.5
77.47898	0.6
83.01378	6.4
85.02946	0.7
93.03447	1.3
95.01385	1.1
96.95995	0.9
97.02937	0.7
107.01370	8.6
109.02915	4.4
111.00873	0.7
117.03455	1.8
119.05029	2.3
121.02950	2.3
123.04506	3.7
124.01655	1.1
125.02433	100.0
126.02793	2.2
131.01381	0.8
135.04538	0.9
137.02431	3.0
139.04004	2.2
144.07022	0.5
145.02936	5.4
146.03740	0.6
147.04529	2.0
149.02425	13.8
150.03227	1.4
151.00357	30.3
151.03922	3.1
152.01158	3.3
153.01924	35.4
154.02280	0.7
159.04541	0.7
161.02443	1.7
161.05995	1.0
163.00357	3.9
163.04012	2.3
165.01917	1.2
167.03488	2.1
167.07124	0.8
169.01508	0.5
171.04482	0.7
172.05289	0.7
173.06102	0.7
174.03203	2.0
175.00381	3.3
175.03999	12.5
176.01071	1.0
176.04584	0.7
177.01912	21.0
178.02351	0.7
178.99844	20.4
179.03418	1.2
180.00163	0.8
181.01419	2.9
185.06129	1.0
188.04741	1.6
189.05553	3.7
191.03471	2.1
193.05046	1.2
195.02980	2.1
197.06113	0.7
198.03273	0.9
199.03981	6.2
200.04375	0.7
201.01939	2.2
213.05612	0.8
216.04245	1.6
217.05057	8.5
219.02977	1.1
231.06598	1.3
241.05017	5.7
243.02869	0.9
257.04584	1.0
259.06140	3.1
275.05569	18.0
284.03241	1.9
285.04016	59.5
286.04370	3.0
299.05521	5.2
303.05069	89.4
304.05414	5.0
307.08194	1.3
309.03790	0.8
317.06491	0.7
327.05014	2.2
391.26352	0.7
459.09216	1.7
461.10864	7.0
471.09464	1.7
487.08649	5.5
489.10382	1.7
583.14453	7.0
593.12885	5.8
594.13489	0.8
611.13293	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04226	2.5
69.77733	5.8
69.78141	8.1
120.18427	2.5
140.62769	2.5
144.08806	2.7
166.21980	2.6
169.03654	2.2
196.51181	2.6
219.43489	2.6
279.23239	100.0
280.23633	4.9
552.29327	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67279	0.9
61.98818	3.5
71.09846	2.3
72.93487	0.9
78.95901	1.7
79.95733	3.6
88.97981	0.8
96.96002	100.0
198.48898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62156	0.6
59.01361	2.3
66.17516	0.6
69.92554	1.5
69.92941	1.2
71.01392	0.7
81.03433	0.5
95.05016	3.3
98.19889	0.6
109.06557	0.9
121.10220	21.1
125.09705	1.4
127.11263	1.4
149.09776	0.8
158.70338	0.6
171.10246	55.5
172.10550	1.7
177.16454	1.5
183.13763	1.0
185.11790	2.2
191.06927	0.9
193.08282	0.8
197.11871	1.0
207.09991	2.2
209.07860	0.7
231.21143	5.4
246.12065	0.7
275.20117	65.3
276.20441	4.0
278.11261	9.0
293.21198	67.8
294.21481	4.2
297.18246	2.1
313.17841	0.8
315.19354	41.0
316.19720	2.6
327.87759	0.6
329.17310	1.7
359.18292	5.9
361.05197	0.6
484.54446	0.7
521.93866	0.6
609.41241	100.0
610.41571	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96432	1.3
57.03441	3.1
58.00582	3.1
59.01374	79.2
67.51797	1.5
69.60095	11.6
71.01375	39.4
72.99300	3.0
73.02942	3.8
74.73035	1.7
83.01382	2.4
85.02934	7.3
86.56313	1.6
87.00841	1.7
89.01902	2.9
89.02434	41.3
95.01376	3.2
96.95987	4.7
99.00848	1.9
101.02437	23.2
113.02434	16.2
119.03475	16.2
121.02963	1.6
125.02431	4.0
133.21631	1.4
139.24283	1.4
142.13400	1.4
143.03464	4.0
149.02589	1.9
149.04628	1.5
151.00314	4.8
161.04520	7.3
175.04042	2.0
177.01855	2.5
178.99823	2.4
179.05566	8.7
243.02904	5.7
249.04056	1.7
255.02916	10.7
271.02429	17.6
283.02295	1.7
284.03125	3.4
285.04083	9.1
300.02722	32.4
301.03470	11.8
387.20383	2.3
447.09235	5.8
549.25476	100.0
550.25836	9.0
581.41162	1.7
609.14459	41.4
610.14996	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	609.1451
Annotation	Rutine
Peak:m/z	Relative Intensity
59.01358	0.8
65.00323	1.6
72.92558	0.4
83.01352	0.6
90.03358	0.4
95.03506	0.4
98.20619	0.9
106.65902	0.3
107.01369	2.0
108.02166	0.9
109.02965	0.6
121.02964	1.9
125.84837	0.3
131.07129	0.9
135.00861	0.8
148.01665	1.3
151.00352	10.7
152.00929	0.4
152.45306	0.4
163.00348	2.1
178.99823	4.7
181.22688	0.4
190.02722	0.4
197.70042	0.4
199.03976	0.5
203.03394	0.4
211.04036	1.2
215.03587	0.6
216.04207	0.6
226.02664	1.4
227.03487	2.5
229.04984	0.6
243.02966	8.3
244.03561	0.5
245.04536	1.2
254.02196	2.7
255.02954	22.8
256.03329	0.9
271.02435	45.9
272.02948	3.5
272.22144	0.4
273.03943	1.1
283.02356	1.1
299.01968	1.0
300.02707	87.2
301.03448	30.8
302.03793	1.3
343.04712	0.6
411.07407	0.4
609.14496	100.0
610.14825	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	609.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95042	0.2
59.01369	0.8
61.98814	1.1
70.53185	0.6
71.01379	0.4
73.02969	0.2
77.79261	0.2
78.95898	4.4
79.95728	3.6
80.96504	0.4
81.03452	0.2
85.02911	0.2
93.32978	0.2
94.98094	0.3
96.96000	100.0
96.96880	2.9
98.19937	0.3
101.02441	0.4
108.65278	0.2
109.02999	0.3
121.02935	0.3
142.91965	0.2
144.74353	0.2
145.02837	0.3
152.99577	4.2
162.60907	0.2
183.10358	0.2
195.13864	0.4
209.11819	0.5
211.13358	0.6
223.00078	0.2
223.13301	0.3
241.01111	1.4
265.07690	0.2
275.20068	0.3
283.10223	1.3
293.21155	2.3
297.24414	0.3
300.02591	0.6
315.04916	0.7
343.28476	6.8
343.32629	0.3
344.28970	0.2
415.14517	0.2
426.11206	0.2
609.15009	0.3
609.26563	7.7
609.36469	0.5
610.27155	0.9
621.09418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43310	0.3
56.98069	0.3
59.01372	1.1
59.49257	0.3
59.52755	0.3
61.98825	1.5
63.02376	1.6
65.00343	1.7
67.30575	0.3
70.28788	0.9
70.29184	0.7
71.01382	1.2
73.02931	0.5
74.99095	0.5
83.01382	0.8
85.02948	0.4
89.02478	0.5
95.01396	0.4
96.95981	1.8
101.02403	0.7
105.82800	0.3
107.01386	2.1
109.02956	0.7
113.02444	0.4
117.03445	4.2
119.05024	1.6
121.02955	0.7
124.01572	0.5
125.02432	1.3
133.02902	0.4
137.02443	0.4
145.02948	8.6
145.58752	0.3
147.04544	0.4
148.01686	0.6
149.02426	6.5
150.03191	1.4
151.00348	6.2
151.03920	0.7
157.86023	0.3
159.04466	0.4
161.02405	0.9
161.06004	0.3
163.00323	0.4
163.04036	0.4
163.76408	0.3
165.01978	0.3
177.01921	1.0
179.68477	0.3
183.04491	0.5
185.05981	0.5
187.04019	0.8
190.02734	0.5
191.03485	2.1
199.04031	0.6
201.05603	0.5
203.03448	0.5
205.05075	0.3
211.13411	0.9
215.03500	2.0
216.04228	0.7
227.03459	1.5
229.01399	0.4
229.05029	0.8
233.04518	0.7
239.03476	0.9
243.02997	1.3
245.04422	0.4
253.43665	0.4
255.02998	2.5
256.03607	0.6
257.04492	0.8
271.02417	1.0
272.03207	5.1
273.03772	0.9
283.02383	1.0
284.03296	2.2
285.04034	1.2
299.05545	3.5
300.02719	53.9
301.03488	77.5
302.03876	3.7
313.03586	0.6
343.04568	1.3
371.24252	0.5
389.25116	0.4
415.14313	0.4
445.07916	0.5
463.08920	2.4
609.12402	100.0
610.12811	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
61.98823	100.0
65.24589	0.1
67.47819	0.2
69.26777	1.5
71.01402	0.2
73.02956	0.2
84.85108	0.1
96.96014	0.8
99.95163	0.1
101.02449	0.2
121.02967	0.2
125.02482	0.2
143.24884	0.1
144.82813	0.1
145.03006	0.2
153.95657	0.2
161.04512	0.2
177.01859	0.2
183.10431	0.1
226.68204	0.1
251.11374	0.3
269.04504	0.4
270.04825	0.2
301.03607	0.2
329.23047	0.3
341.06717	0.2
373.25775	0.5
375.27603	0.2
437.26782	0.2
473.36780	0.1
612.47833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.124
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
56.29945	1.1
57.03440	9.9
59.01360	2.3
71.01374	1.5
71.41500	1.2
72.40847	0.9
81.03461	2.2
83.01384	2.7
83.94020	0.9
93.03454	3.8
95.01349	1.5
96.96003	9.0
97.02927	2.2
105.03446	1.4
107.05013	1.2
109.02950	12.5
111.04500	1.9
119.05027	3.6
121.02934	5.4
123.00864	3.8
123.04520	2.4
124.01646	2.5
125.02437	100.0
126.02757	1.9
131.04939	1.1
133.02927	2.2
135.04515	3.1
137.02435	26.7
138.03206	1.4
139.03998	12.8
144.30847	0.9
147.04482	1.0
149.02432	7.1
149.06104	1.2
151.04007	4.8
153.01878	1.9
159.04445	1.2
161.02406	2.3
163.00279	1.8
163.04012	3.7
164.01135	4.1
165.01917	11.4
166.02663	1.3
167.03499	14.3
168.03821	1.3
173.06015	1.0
174.03232	1.4
175.03955	8.1
177.01917	69.4
177.05530	2.9
178.02307	4.3
179.03484	8.9
181.05009	2.1
187.04018	4.3
191.03525	2.0
193.05118	1.3
199.04007	1.6
201.05611	1.8
203.03433	2.9
204.04196	1.2
205.01413	1.6
211.03993	2.2
213.05548	1.9
215.03532	2.2
217.05023	2.6
219.06644	5.1
221.04527	3.8
223.06206	1.9
227.03471	1.5
228.04283	1.8
229.04977	3.8
243.02975	6.3
255.02956	19.0
256.03625	4.6
257.04498	3.3
259.06021	1.1
261.03979	4.5
261.07336	2.0
269.04559	2.7
273.04053	4.8
273.06799	1.0
282.01697	2.5
283.02454	11.6
285.04004	5.3
297.03952	6.5
303.05054	8.2
305.06631	60.7
306.06940	3.5
315.05011	2.4
355.08337	2.7
397.09229	2.0
423.07166	86.4
424.07550	8.3
441.08224	23.1
442.08490	3.3
457.87427	1.1
465.08051	1.8
483.09216	5.1
484.09567	1.1
609.12671	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	605.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
58.94504	0.5
69.85795	2.6
78.95888	0.6
93.03449	0.7
95.05017	0.6
96.95954	0.6
97.06571	1.0
108.48954	0.5
111.08109	0.5
121.06623	0.5
121.10225	9.2
123.08096	0.9
125.09742	2.8
141.12781	0.8
147.08112	0.9
165.12856	0.6
185.11803	7.2
197.11807	1.4
207.09979	3.8
209.11853	0.9
211.13371	0.8
217.15991	0.5
223.13390	0.6
227.18158	1.1
233.11610	0.5
243.17580	1.1
245.19084	8.0
256.26523	0.6
273.18423	0.7
291.19635	24.1
292.19962	1.9
293.15335	0.6
295.16714	0.6
298.15417	0.7
311.16254	1.0
313.17822	100.0
314.18152	6.3
605.36816	1.7
630.99554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56461	0.2
51.67942	0.2
59.01369	0.3
59.86723	0.2
61.98825	100.0
68.99547	0.2
69.66595	1.4
71.01374	0.4
73.02945	0.2
87.74545	0.2
96.96023	1.0
98.20611	0.3
101.02464	0.3
121.02930	1.3
127.84679	0.2
145.02861	0.4
156.54993	0.2
161.04552	0.3
213.22375	0.2
235.06212	0.3
251.11348	0.5
357.26535	0.3
371.24490	0.6
373.26050	0.4
425.18814	0.2
607.34125	0.3
619.67224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47754	0.1
59.01377	0.4
61.98825	100.0
65.16456	0.1
71.23544	0.1
71.62619	0.2
71.62951	0.1
79.95733	0.4
79.97563	0.2
80.96503	0.9
96.95995	1.0
113.02500	0.2
121.02873	0.1
125.84407	0.2
147.04532	0.2
194.04636	0.2
209.11942	0.2
224.71672	0.2
225.00879	0.2
249.99452	0.2
314.40598	0.2
355.18494	0.2
607.24347	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01368	3.9
61.98517	0.8
61.98827	14.3
64.41146	0.5
69.37598	3.0
71.01386	3.2
73.02936	0.4
78.98562	0.6
79.95721	0.6
80.96507	4.2
81.03445	1.1
83.01373	3.8
83.05018	0.7
85.02958	0.7
86.43600	0.5
87.00861	0.6
88.98815	0.5
89.02431	2.0
93.03451	17.6
94.03742	0.5
95.01409	0.6
95.05022	1.7
96.96009	5.1
97.02955	3.9
101.02408	2.2
101.21691	0.4
105.12668	0.4
106.04243	0.5
107.05003	2.2
108.02170	1.0
108.62924	0.5
109.02940	12.8
112.15327	0.4
113.02405	0.7
117.03449	0.6
119.05003	4.7
121.02980	2.5
122.03751	1.3
123.04523	11.1
125.02431	7.3
133.02921	0.9
135.04506	1.9
137.02440	12.2
139.04013	4.5
140.29224	0.4
145.02904	1.3
145.06606	0.7
146.03665	0.8
147.04549	6.0
149.02431	15.3
149.06053	0.5
151.03999	8.6
157.06570	1.1
159.04581	2.2
159.08026	0.5
161.01213	0.7
161.02443	5.0
161.04628	0.7
161.06055	4.0
162.03198	1.8
163.03970	2.7
163.07635	2.7
164.01137	0.8
165.01877	1.6
165.05536	0.6
167.03455	0.5
170.39017	0.5
173.06107	0.8
174.03134	0.5
175.03998	1.8
175.07632	0.9
176.01131	0.8
177.01880	0.7
177.05527	0.9
179.03505	2.1
179.05714	0.7
183.08171	1.3
185.06079	1.5
187.03943	4.3
187.07568	1.3
188.04684	0.7
189.05511	0.7
189.09172	0.7
191.03474	1.9
197.06017	1.0
199.07590	0.9
201.05530	0.8
201.09149	3.2
202.06355	1.5
203.03322	0.6
203.07115	12.3
204.07408	0.6
205.05026	6.4
209.11859	0.8
211.04039	0.5
211.07655	0.5
212.04733	0.6
213.05525	1.6
215.07074	9.3
216.07462	0.5
221.08124	1.1
225.00757	1.1
225.05557	0.5
227.07079	2.6
228.07742	0.7
229.05045	0.9
231.03008	1.1
231.06531	0.9
233.07863	0.5
239.07027	0.6
241.08600	0.5
243.02518	0.5
243.06544	5.5
244.07137	0.8
245.08095	6.5
247.06041	3.5
253.08850	0.6
255.06587	2.0
257.08157	2.6
259.06027	1.2
269.08133	1.5
269.11929	0.5
271.06079	1.1
287.22125	0.7
289.07166	14.9
290.07645	0.7
296.91202	0.6
301.07147	8.0
309.11325	1.9
313.07202	1.3
327.12381	1.1
333.11169	1.0
349.10834	6.6
350.11316	1.2
351.12384	4.0
353.10211	1.5
359.27841	0.8
375.27243	0.7
395.11337	16.6
396.11673	1.7
407.11301	5.5
455.14722	2.9
457.16437	1.3
500.14691	1.3
501.15488	100.0
502.15775	11.1
513.15320	0.8
563.20770	1.2
606.38135	1.5
607.18488	13.4
607.39148	1.1
608.20294	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49442	0.7
59.01370	35.0
61.85466	0.6
62.79726	0.6
69.03455	0.7
70.65878	0.9
70.66243	1.8
85.06586	9.6
89.02451	0.8
96.96006	0.8
98.19888	0.8
106.40165	0.6
113.06075	16.2
113.57439	0.6
125.02419	1.2
131.07124	100.0
132.07463	3.0
173.08159	51.4
174.08548	1.8
204.98169	0.6
212.35257	0.6
281.14557	0.7
331.81506	0.7
354.32809	0.7
440.32040	0.7
514.46594	0.7
572.12561	0.7
605.17114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65451	1.2
70.72409	1.1
71.62125	1.5
71.62505	1.3
83.89791	0.9
110.46612	1.0
174.19820	1.2
183.44566	1.0
255.23468	1.3
318.64749	1.1
429.17371	2.4
430.17773	7.4
444.19250	3.9
445.20261	100.0
446.20428	10.3
459.21814	18.4
460.22549	6.0
462.16806	2.3
487.21634	2.1
503.20795	1.4
504.21609	56.4
505.22009	6.7
518.23254	12.1
519.23962	80.6
520.24182	10.0
531.23700	1.2
573.24792	4.8
605.27570	71.1
606.28137	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	605.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18668	0.3
67.52650	0.2
69.57478	1.2
71.85880	0.2
84.16373	0.2
106.06602	0.4
179.11781	0.2
198.23531	0.2
215.55452	0.2
246.99966	0.2
250.30927	0.2
254.58888	0.3
372.49762	0.3
386.93832	0.2
394.11777	0.3
399.81857	0.2
415.15485	0.3
416.16690	0.7
425.14728	0.2
428.16077	0.3
429.17068	1.1
430.18030	1.0
443.19055	0.4
444.19397	0.5
448.18784	0.2
456.15640	0.4
457.20688	1.7
458.21542	0.4
459.17786	2.9
461.23425	0.3
469.20886	0.3
470.21335	0.8
471.18118	1.9
472.19058	0.5
473.19714	4.0
474.20367	0.6
475.21198	0.6
485.18280	1.1
485.23526	1.1
486.20801	3.8
487.21091	0.9
490.16553	0.3
496.18875	0.6
499.17609	2.1
501.22592	2.4
502.22501	0.5
511.21527	2.3
512.21771	0.4
513.19336	2.4
514.20056	8.2
515.20251	0.9
517.18787	0.7
518.19336	1.6
527.21008	0.3
528.21338	0.7
529.22382	100.0
530.22693	14.7
532.21136	1.6
533.21759	1.8
546.22430	0.3
561.24908	1.1
573.21234	1.6
605.23926	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	605.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
57.44567	1.0
59.01377	12.5
61.41884	1.0
61.98827	76.2
63.01242	1.1
65.00307	6.2
68.13742	1.1
71.00714	3.2
71.01379	11.9
72.99308	1.5
73.02939	1.7
75.00880	1.2
79.95703	1.6
80.96504	2.3
81.03458	1.9
81.07047	1.1
83.01369	5.7
83.05025	4.6
85.02950	2.9
87.00864	2.7
88.98780	1.7
89.02459	5.5
93.03461	4.2
96.96005	39.2
99.04524	2.1
101.02436	5.9
107.01396	10.2
108.02148	1.4
108.39297	1.1
109.02947	3.2
110.88833	1.2
111.04509	3.3
113.02435	4.2
117.03446	5.9
118.71889	1.4
119.03448	1.4
121.02939	9.1
123.04517	3.5
125.02440	4.7
129.02013	1.7
132.02171	3.9
133.02937	6.8
134.03734	46.8
135.04527	36.6
136.01688	1.9
137.02448	7.1
139.11340	1.3
145.02934	7.8
147.04503	10.3
148.05315	5.6
149.06078	12.5
151.00360	46.2
151.03990	4.3
155.03529	2.5
160.01645	22.3
161.02377	3.6
161.04535	3.5
161.05995	1.7
161.13367	6.4
163.03986	3.4
164.04814	1.4
173.06113	4.8
174.03053	1.5
175.03995	37.8
176.04758	26.3
177.01874	7.6
177.05539	1.4
178.02663	7.2
179.03464	3.8
185.11838	1.3
187.07605	3.5
189.05443	1.6
191.07118	42.1
192.04253	2.1
193.05034	66.8
194.05368	2.5
205.12344	18.3
207.06599	15.1
217.05084	2.4
220.03734	7.1
231.06589	2.3
235.06091	100.0
236.06435	3.2
247.05949	1.8
249.11363	13.0
251.05391	1.3
251.11394	3.4
257.08176	4.0
262.54074	1.4
265.07138	45.8
266.07419	2.9
287.05600	58.3
288.05734	2.7
295.08197	58.5
296.08572	2.6
330.59213	1.2
353.23541	2.1
355.10272	19.8
356.10724	1.3
369.22714	2.8
371.24438	6.7
373.25955	3.8
385.18903	1.9
405.12198	1.4
527.15594	4.1
561.23395	10.8
561.31879	2.5
605.21820	11.9
606.22809	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24280	0.9
57.18526	0.9
59.01371	12.4
61.98830	13.5
62.41272	1.0
68.65818	0.9
71.01375	12.1
71.63216	1.4
73.02937	1.8
81.03418	1.3
81.10894	1.1
83.01381	1.7
83.05028	6.0
85.02943	4.6
87.00873	1.8
89.02433	5.5
93.03442	2.8
95.01355	1.3
96.72256	1.1
96.96002	14.3
99.00871	1.6
99.04531	1.9
101.02419	6.0
109.02915	3.1
111.04503	6.4
113.02421	4.3
117.03461	3.3
119.03473	2.3
119.05003	1.5
121.02132	1.3
121.02949	17.2
123.04491	4.5
125.02417	2.8
131.07100	1.3
132.02147	4.0
133.02954	7.4
134.03738	52.3
135.04549	5.8
136.01654	1.7
137.02431	6.4
145.02936	4.1
147.04510	12.5
148.05309	5.3
149.06087	14.7
150.03229	1.9
151.04031	2.6
155.03453	4.0
158.03705	3.7
159.04477	1.9
160.01653	22.2
160.05325	3.1
161.02412	3.1
161.04544	3.5
161.05920	1.4
161.13364	8.9
162.03181	1.0
163.03943	2.8
163.07578	2.2
164.04753	1.4
173.06036	4.6
174.03255	1.6
175.02493	2.2
175.03984	34.4
175.07663	3.3
176.03288	1.8
176.04785	28.9
177.01910	5.6
177.05449	1.9
178.02744	10.4
179.03471	1.6
179.05562	1.4
179.07147	1.2
191.07127	39.6
192.04259	4.1
192.07535	1.0
193.05042	67.4
194.05319	1.3
202.02617	1.9
203.11256	1.0
205.12309	14.6
207.06592	12.4
207.25871	1.1
217.01353	1.6
217.04984	3.2
220.03804	6.1
233.00876	1.2
235.06081	100.0
236.06425	3.7
249.11276	7.0
251.11322	3.6
259.05646	1.0
265.07144	46.8
266.07413	2.1
295.08188	57.6
296.08517	3.3
311.88824	1.1
327.15866	2.4
327.21689	1.5
329.13934	8.9
330.14481	1.1
337.09024	1.3
355.10284	17.5
355.19104	1.1
371.24326	5.0
385.18594	1.4
405.12000	1.2
443.16867	3.9
465.35016	1.2
527.15259	2.9
545.19727	3.7
561.23132	4.5
605.21991	7.4
605.31445	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09716	0.6
58.23829	0.6
59.01369	2.4
60.99302	13.6
61.98835	1.1
71.62640	0.8
72.74540	0.6
76.34441	0.6
82.95402	1.2
87.00879	4.6
88.00396	6.8
88.01267	0.8
88.04000	0.7
88.98802	87.9
89.02437	100.0
90.02778	1.2
102.38387	0.6
114.41514	0.7
115.30197	0.6
117.41668	0.7
142.88881	0.6
166.88297	0.6
275.72220	0.6
277.21573	1.0
386.00357	0.6
414.19510	0.7
521.34418	0.9
604.30573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	33.1
61.98811	2.9
70.52988	2.5
71.01392	1.5
71.18729	0.7
75.00839	1.3
80.02680	1.0
83.05020	2.8
84.02202	0.8
96.96001	1.9
121.02902	0.9
125.02411	0.7
136.01805	0.7
142.80617	0.8
145.02936	0.9
161.06171	1.0
163.11302	2.5
165.12892	1.7
171.10242	7.7
182.48071	0.7
192.12000	0.7
200.27463	0.7
209.11804	100.0
210.12129	5.1
211.19249	0.8
227.12843	9.8
247.13405	1.8
371.24423	0.8
375.21429	0.9
449.24878	1.0
475.26956	1.0
493.28433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43867	1.2
59.01372	2.5
59.43458	1.6
71.62654	2.0
80.02677	4.2
81.03459	1.7
83.05019	11.2
84.02152	2.5
85.97012	1.5
96.95985	1.7
99.08144	2.5
115.07627	1.9
121.10220	6.4
125.09722	2.1
126.19595	1.3
137.09700	16.6
139.11310	2.5
151.11247	3.4
153.09253	3.5
153.12674	1.6
155.10785	18.5
155.26733	1.3
169.12271	1.8
171.10258	32.6
193.12328	7.1
211.13486	2.3
247.20734	2.2
263.20032	2.9
265.21387	1.7
275.20157	25.2
276.20551	2.1
291.19620	36.6
292.19995	2.3
293.21185	29.9
309.20670	100.0
310.21033	5.9
338.09192	1.3
343.20984	1.5
384.11087	1.4
544.59845	1.6
604.37305	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	605.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62531	1.2
51.39036	1.5
55.75953	1.3
59.01375	14.4
60.29923	1.2
60.31294	1.2
61.98825	10.6
64.52241	1.0
65.34966	1.2
67.28883	1.1
68.38490	1.1
70.95986	1.0
71.01368	13.1
71.63196	1.6
73.02942	3.0
75.00858	1.3
78.26730	1.2
81.03451	1.4
83.05006	7.4
85.02921	3.2
87.00869	2.0
89.02413	6.0
93.03439	2.5
96.95995	14.7
99.04497	3.0
101.02399	5.8
109.02933	2.9
111.04491	4.6
113.02443	5.7
117.03441	4.1
119.05013	2.1
121.02935	17.2
123.04520	4.1
125.02422	2.7
131.07088	2.1
132.02173	4.0
133.02971	8.9
134.03726	51.2
135.04543	8.6
137.02449	7.4
139.03967	2.0
145.02914	5.5
147.04494	12.5
148.05284	6.2
149.06046	13.9
151.03992	2.6
155.03487	3.5
158.03783	3.6
159.04422	2.6
160.01636	26.2
160.05270	3.6
161.02394	3.7
161.04541	3.5
161.05949	2.0
161.13347	9.3
163.03966	2.6
163.07588	1.2
164.04765	2.8
171.10258	1.8
173.06064	4.3
175.02573	1.7
175.03961	39.6
175.07640	4.0
176.04749	31.3
177.01947	7.7
177.05447	2.8
178.02675	10.8
179.03435	2.1
191.07108	38.8
192.04190	3.4
192.07417	2.2
193.05023	68.9
194.05376	2.4
205.12296	16.0
207.06566	12.9
217.05054	3.5
220.03731	7.1
223.58701	1.4
235.06076	100.0
236.06494	3.4
249.11331	9.3
251.11279	4.5
251.16330	1.3
261.73004	1.5
265.07120	44.0
265.18167	1.3
281.06674	1.5
295.08179	58.8
296.08414	2.9
307.08224	1.9
323.05966	1.7
323.16397	1.5
327.15961	1.9
329.13855	16.6
330.14148	1.5
341.06274	1.6
353.23343	1.9
355.10229	18.6
355.19019	1.5
371.24252	4.7
397.71945	1.3
435.10648	1.6
443.17068	6.9
461.08246	1.7
527.15240	3.4
545.20001	4.4
561.23407	4.3
575.28772	1.5
586.96655	1.5
605.22577	10.9
605.31818	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.7
59.01374	42.2
61.98827	17.4
71.01369	10.0
71.63000	2.6
73.02953	2.6
83.01367	4.6
85.02955	4.3
88.98817	3.3
89.02426	9.9
96.95995	6.7
97.02936	4.4
97.06578	4.7
101.02435	10.6
105.37837	2.2
113.02370	5.1
121.06573	2.7
123.04610	2.4
125.09707	4.7
136.05362	2.5
137.09569	2.5
138.14337	2.2
147.04443	4.4
161.04561	5.1
163.11197	7.8
165.12753	2.6
171.10347	3.3
185.11823	9.7
191.14388	8.5
207.10258	4.2
209.11827	37.0
227.13019	2.5
237.11342	3.7
245.19020	16.2
253.09277	39.2
263.20117	6.9
271.17062	3.3
289.18060	100.0
290.18359	6.1
297.08200	2.3
307.19131	90.9
308.19580	6.5
543.28046	3.5
603.31799	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58216	1.0
51.12629	0.8
57.03817	0.9
59.01350	1.1
60.99304	17.7
61.98823	2.5
73.59959	0.8
78.95837	1.1
87.00877	2.8
88.00395	8.3
88.04031	1.2
88.98801	100.0
89.02438	66.7
89.99088	1.7
96.96003	4.9
137.00949	1.0
137.02335	1.0
449.19995	1.1
623.77466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63113	0.4
61.98825	100.0
69.29550	0.9
69.29949	2.5
69.93056	0.3
78.36566	0.3
95.88151	0.4
129.60255	0.3
166.44749	0.4
231.48436	0.4
395.74216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23541	0.2
51.02943	0.2
59.01391	0.3
61.98813	0.5
69.86615	0.2
71.00541	0.2
71.01359	0.3
71.63962	0.4
72.99294	2.0
75.00865	100.0
76.01200	0.6
83.05023	0.4
96.22540	0.2
96.96013	0.6
100.90948	0.2
111.04568	0.4
121.02959	1.3
123.04539	0.3
176.46484	0.2
221.95901	0.3
440.27026	0.3
552.66736	0.3
603.33899	0.3
634.27264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78529	0.6
59.01372	33.4
69.52250	0.6
70.68192	0.6
70.90164	1.5
71.01364	0.7
78.21121	0.5
85.06586	10.1
95.86159	0.6
96.95989	2.7
98.95595	0.8
113.06078	11.7
125.02461	0.9
131.07123	100.0
131.13539	0.6
132.07465	2.5
138.05087	0.5
151.04002	0.6
151.84119	0.6
173.08163	50.1
174.08519	1.9
191.05586	1.5
195.67111	0.5
603.22479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95376	0.8
52.99873	0.8
57.69498	0.9
57.81472	0.9
59.01373	35.6
61.98820	1.2
63.94615	0.9
70.49313	2.9
71.01370	1.3
79.95730	17.6
81.95311	10.4
85.06584	11.8
87.00829	1.0
89.02428	1.0
95.95226	6.1
96.96004	54.9
97.94791	3.0
97.95940	1.9
98.95589	34.2
98.96403	5.3
99.95516	0.8
101.02496	1.0
107.63181	0.8
110.97530	2.9
112.97124	0.9
113.05450	1.0
113.06091	12.2
118.42002	0.9
125.02432	1.0
127.02846	0.8
131.07130	100.0
132.07434	1.9
136.01630	1.3
151.03960	1.2
157.26540	0.9
173.08167	44.6
174.01881	1.1
216.26379	1.0
234.41112	0.9
241.00085	1.0
250.03712	1.0
411.09448	1.2
425.07690	1.7
438.09406	1.4
439.09180	2.6
440.10397	1.9
441.10837	5.8
603.16144	82.2
604.16095	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	601.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72190	1.3
59.01382	6.7
60.99299	15.2
61.98821	9.9
67.88726	1.5
69.40190	1.1
69.40507	12.0
71.01366	3.0
73.47699	1.3
75.29284	1.3
78.59966	1.3
83.04990	2.6
87.00832	3.5
88.00394	2.6
88.98798	100.0
89.02439	21.4
93.03449	1.8
96.95988	8.1
101.02407	3.1
117.03439	5.1
119.05010	1.8
121.02950	3.1
123.04538	1.5
125.02388	3.0
125.09771	1.3
137.02359	1.7
137.46376	1.4
145.02943	18.3
153.67085	1.4
161.04599	1.9
163.03964	2.5
167.03401	3.3
171.10240	10.9
179.03465	1.8
209.11803	1.9
211.13326	9.4
218.32784	1.5
233.15440	1.6
255.06546	6.3
271.06009	1.6
302.38882	1.6
335.63458	1.3
441.21002	1.7
563.28668	9.4
565.29016	3.8
601.30286	2.1
601.39697	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	601.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43117	0.3
61.98828	3.4
68.39017	0.3
69.84282	0.7
69.84673	0.8
79.95729	31.5
80.96507	1.2
81.03381	0.3
95.95223	10.6
96.95999	100.0
98.95610	0.4
110.97569	5.1
121.02933	0.4
125.02396	0.3
135.02931	0.3
136.01610	0.4
137.02437	0.7
141.95737	1.1
149.99904	1.3
151.00601	0.5
151.03987	0.9
160.05229	0.4
161.02461	0.6
163.00439	0.6
165.05554	0.6
177.05431	0.5
191.05516	0.4
191.07124	0.7
201.92459	0.3
232.26553	0.3
260.02792	0.3
271.02823	1.0
273.04156	0.4
315.05542	0.7
329.13791	0.6
409.09537	2.1
421.08289	0.5
423.07449	2.3
424.08179	1.0
437.08963	2.9
438.09631	2.1
439.10635	8.4
439.15738	0.4
440.11002	0.6
477.58093	0.4
540.79352	0.3
552.44366	0.3
601.15869	94.0
602.16180	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	601.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35560	0.4
61.98822	1.8
67.80614	0.3
71.01382	0.6
71.62877	0.4
73.15781	0.3
74.99133	0.3
78.07100	0.4
79.95734	47.9
80.95716	0.4
80.96543	0.4
81.95307	0.3
95.95226	15.6
96.96005	88.0
98.95580	2.1
108.02102	0.4
109.02960	0.6
110.97576	6.5
123.04542	0.5
125.02416	0.6
130.56837	0.4
135.04558	0.6
136.01653	1.9
137.02426	2.4
141.95760	2.1
149.99913	2.1
151.03998	3.6
161.06021	0.4
177.05600	0.8
191.05569	0.8
191.27473	0.4
205.64789	0.4
213.11351	0.9
229.06151	0.9
244.08565	1.7
259.02917	1.0
259.96210	0.4
283.10068	0.4
313.10989	0.3
327.12466	0.4
335.17117	0.7
343.11835	1.2
409.09668	1.7
411.51361	0.4
423.07452	2.0
424.08188	1.3
437.09033	3.2
438.09738	2.5
439.10660	11.9
440.11243	0.9
481.11703	0.6
504.39874	0.4
513.18610	1.4
539.20642	0.5
586.13550	0.4
601.15863	100.0
602.16229	10.2
602.25513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62949	0.2
61.98825	100.0
70.36497	1.1
91.59335	0.2
133.90802	0.3
174.05919	0.3
179.56168	0.3
313.55704	0.3
426.45493	0.3
479.20282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21416	0.2
57.41089	0.2
58.38500	0.2
59.01373	0.5
59.15811	0.2
61.98822	100.0
62.98502	0.2
69.90337	0.2
71.01388	0.4
71.63677	0.2
71.64091	0.3
72.99303	0.3
93.03439	0.4
96.96006	0.8
101.02376	0.2
121.02994	0.2
123.04582	0.2
125.02458	0.8
137.02422	0.3
142.91476	0.2
145.02937	1.1
161.04588	0.2
171.10315	0.3
216.79306	0.2
223.08151	1.2
224.08582	0.2
284.03354	0.2
285.04092	0.8
357.26535	0.3
358.26569	0.2
385.98700	0.2
437.25687	0.5
438.25687	1.0
439.27020	0.6
491.61279	0.2
537.26990	0.5
565.13574	0.4
600.32556	1.2
601.32025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32892	27.8
61.98823	42.3
70.17841	76.2
72.61731	27.1
75.58179	25.0
78.95898	67.4
101.59759	26.4
126.93851	30.4
152.99571	61.6
230.63220	28.4
241.01158	34.4
262.23325	32.1
267.55533	28.0
283.26318	83.8
289.35168	31.5
505.25949	36.4
599.31934	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	600.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21416	0.2
57.41089	0.2
58.38500	0.2
59.01373	0.5
59.15811	0.2
61.98822	100.0
62.98502	0.2
69.90337	0.2
71.01388	0.4
71.63677	0.2
71.64091	0.3
72.99303	0.3
93.03439	0.4
96.96006	0.8
101.02376	0.2
121.02994	0.2
123.04582	0.2
125.02458	0.8
137.02422	0.3
142.91476	0.2
145.02937	1.1
161.04588	0.2
171.10315	0.3
216.79306	0.2
223.08151	1.2
224.08582	0.2
284.03354	0.2
285.04092	0.8
357.26535	0.3
358.26569	0.2
385.98700	0.2
437.25687	0.5
438.25687	1.0
439.27020	0.6
491.61279	0.2
537.26990	0.5
565.13574	0.4
600.32556	1.2
601.32025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12868	0.8
59.01364	1.9
61.98800	1.6
63.17636	0.7
65.47405	0.7
69.20428	0.7
71.62627	1.0
79.25332	0.8
93.03455	2.6
94.79040	0.7
96.95993	2.3
104.14403	0.7
107.04893	0.8
121.02957	4.2
122.03726	13.7
133.02904	2.0
135.04485	1.6
137.02431	0.9
143.52812	0.7
145.02835	0.8
149.02428	16.4
150.03204	78.2
151.03494	2.0
158.96623	0.7
163.04005	4.7
163.27696	0.7
164.04794	5.8
165.05540	100.0
166.05870	3.1
171.10262	2.7
178.06348	5.4
179.07063	2.9
180.04234	5.2
181.10542	0.7
193.08688	8.2
195.06589	64.4
196.06972	2.4
209.11763	2.4
277.73557	0.8
394.59464	1.0
551.22870	1.7
620.43402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85049	1.3
59.01368	9.8
61.03814	1.3
61.98825	100.0
64.64702	1.4
69.26028	1.6
70.52963	5.1
71.01369	7.9
73.02942	1.9
75.00871	2.0
82.95390	2.0
83.01395	3.0
83.05024	5.5
85.02954	2.9
85.61305	1.3
87.00888	2.1
93.03469	2.3
95.87247	1.4
96.95996	7.6
97.06022	1.4
98.99651	1.5
101.02425	3.9
109.02943	5.8
111.04491	2.7
111.08086	1.6
112.98537	1.9
113.02475	2.4
117.03454	4.7
119.05034	3.9
121.02944	13.9
123.04533	3.8
125.02422	13.8
137.02466	2.3
145.02945	29.7
147.04546	2.8
150.03244	3.6
160.01630	1.9
161.04591	4.4
163.04048	5.7
165.05598	2.8
167.03500	5.6
171.10274	6.6
175.03989	2.6
183.10243	3.7
191.03526	8.4
191.05528	3.1
195.06641	2.0
209.11871	4.1
223.08208	43.3
224.08521	2.2
234.40793	1.3
257.08240	1.5
268.64188	1.4
292.69684	1.4
328.09772	1.5
337.09283	2.5
357.26395	14.5
368.93265	1.6
403.14246	3.7
407.17087	13.7
437.25388	21.8
438.25500	2.4
561.26929	4.5
563.19550	4.7
563.28101	2.9
596.81415	2.0
599.32196	52.4
600.32727	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	599.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32833	0.7
57.96405	0.7
59.01369	2.7
61.98835	4.1
72.31316	0.7
77.03948	1.0
77.30991	0.8
87.23414	0.7
88.98750	1.0
90.57320	0.9
93.03448	4.5
95.05033	0.9
96.95989	3.0
98.19829	1.7
101.93355	0.7
114.97419	0.8
117.03395	1.4
121.02939	8.8
122.03739	13.6
123.04486	1.8
125.02438	0.9
132.02161	0.8
133.02933	2.5
135.04518	2.6
136.01622	1.5
137.02412	0.9
145.02930	4.4
149.02425	62.1
150.03210	93.2
151.03586	3.4
161.02420	0.9
162.03210	3.0
163.04004	28.2
164.04774	25.0
165.05547	100.0
166.05864	3.5
171.10146	1.5
177.05482	3.6
178.06320	27.5
179.07098	18.0
180.04268	6.5
192.07892	1.4
193.08662	37.5
194.09024	1.0
195.06596	62.7
196.06870	2.1
209.08151	0.9
209.11732	1.0
274.75357	0.8
285.03851	1.0
313.10959	1.6
326.11700	1.0
327.12213	1.6
339.35785	0.8
341.13852	1.0
357.13281	7.1
502.69882	0.9
536.19867	1.0
551.22809	54.8
552.23474	5.9
561.26758	2.2
563.28052	1.8
598.99622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61649	0.8
58.47201	0.6
59.52062	0.7
69.03442	0.9
69.45746	6.0
79.95689	0.8
89.09686	0.8
93.03449	1.2
96.96011	12.4
98.19885	1.1
123.00843	1.7
124.01657	12.5
125.02441	28.6
137.02438	13.3
143.04974	0.8
151.00327	1.6
159.04503	4.5
163.00349	1.0
169.01364	4.5
181.01393	2.7
183.04462	2.0
185.06036	2.7
200.04805	1.1
201.05580	2.0
201.11317	0.8
205.53310	0.8
211.04019	3.1
213.05522	3.2
227.03494	2.1
228.04330	0.9
229.05017	8.1
230.05803	11.8
231.06577	12.8
256.03687	2.2
257.04483	1.5
273.04044	4.2
274.04770	3.7
275.05618	9.2
287.07974	0.9
392.11185	1.8
418.09036	5.2
419.09546	1.2
436.10175	7.1
437.10336	1.7
527.79572	0.8
581.15106	1.5
599.16064	100.0
600.16547	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	597.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18445	10.2
61.98834	21.1
65.59062	10.6
69.24782	21.3
69.25182	100.0
69.92377	11.8
71.01376	10.7
90.62927	9.5
94.18169	10.2
180.08762	10.2
180.38788	10.1
200.15083	10.7
223.38765	10.4
275.99295	13.2
539.40210	10.9
597.43823	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78339	41.3
70.57169	100.0
70.57536	43.7
130.85417	35.6
264.46942	36.8
551.44623	35.7
597.27246	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20053	0.2
57.03418	0.2
59.01373	3.4
61.98825	1.1
65.33447	0.2
69.57754	0.5
69.58157	1.2
71.01369	2.4
73.02912	0.3
75.00855	0.3
79.95731	8.0
80.96515	0.3
85.02948	0.8
87.00863	0.2
89.02441	1.6
95.01356	0.3
95.95220	0.8
96.95998	100.0
98.01366	0.2
99.00861	0.2
101.02419	1.5
108.02163	0.6
109.02924	0.5
110.97575	0.9
113.01760	0.2
113.02448	1.2
119.03505	0.4
120.99619	0.4
125.02432	0.3
137.02443	0.8
138.97012	0.6
151.03967	0.7
161.04480	0.6
168.98032	0.2
177.04033	0.4
179.05602	0.3
198.99164	0.8
210.90140	0.2
241.00121	0.3
252.95282	0.2
256.99606	0.2
259.01233	0.8
271.08234	0.4
279.06613	0.4
294.08966	0.4
320.55069	0.2
327.14218	0.2
345.15457	1.1
371.24597	0.2
377.29062	0.4
421.82178	0.2
538.33368	0.3
539.34271	3.4
599.14307	55.9
600.14655	6.3
624.04077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39700	0.5
57.17892	0.5
61.98822	1.9
64.25188	0.5
67.70108	0.4
69.52670	3.5
69.53073	0.9
71.01404	0.6
79.95730	5.8
83.21981	0.5
89.33414	0.5
96.96000	100.0
101.91898	0.5
110.97580	0.6
121.02877	0.8
125.02457	0.7
136.01698	0.6
137.02492	0.6
137.17674	0.5
150.67477	0.5
151.03970	1.7
191.05444	0.6
259.01318	0.9
296.06827	1.2
311.09116	2.3
326.11551	1.9
437.08905	1.7
563.89331	0.5
599.14343	50.0
600.14661	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	599.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96467	0.4
57.95884	0.4
59.01362	1.7
61.98803	1.3
69.03463	0.4
69.44395	3.3
71.01376	1.2
74.99101	1.0
79.95732	2.1
83.01350	0.5
85.02922	0.5
89.02455	1.0
93.03448	1.9
95.01403	0.6
96.96002	36.1
98.19894	1.0
99.00899	0.5
111.35136	0.5
112.93102	0.4
113.02418	0.6
123.00860	1.6
123.66283	0.5
124.01659	13.0
125.02436	26.6
135.00887	0.4
136.01662	0.7
136.99132	0.4
137.02429	14.5
141.07104	0.6
149.99591	0.6
150.03188	1.1
151.00330	1.8
151.03990	0.7
157.06534	1.3
159.04500	5.1
163.00348	1.3
165.05556	1.1
166.05901	0.5
166.88147	0.4
167.42508	0.5
168.00636	0.5
169.01378	4.8
181.01375	1.9
183.04503	1.8
185.06065	2.8
191.05574	0.8
195.06664	0.7
197.05983	0.4
200.04768	0.7
201.05528	2.0
201.11285	1.4
211.03886	2.1
213.05531	3.3
227.03433	1.8
228.04036	0.5
229.05048	6.5
230.05801	10.3
231.06586	12.5
243.06551	0.6
255.03003	1.2
255.06549	0.7
256.03726	1.8
257.04504	2.0
259.01334	0.5
273.03986	3.1
274.04834	3.4
275.05579	11.3
276.06107	0.5
287.07886	1.0
296.06989	0.7
300.06125	0.4
301.03561	0.5
301.07156	1.1
311.09189	0.5
313.05579	0.7
392.11078	2.6
393.11945	1.0
414.75867	0.5
418.08936	4.0
419.09793	1.9
436.10049	7.4
437.10596	2.0
472.11337	0.4
581.15320	0.9
599.15942	100.0
600.16229	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	597.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37262	0.6
56.79523	0.6
57.03437	1.1
59.01367	2.0
61.98814	1.7
63.96222	1.1
65.28790	0.6
68.99815	1.2
69.03452	1.0
71.01367	2.8
71.62829	1.0
72.99302	1.8
73.02911	0.8
73.98321	0.6
74.94995	0.6
74.99083	2.3
75.00860	0.7
75.97645	0.6
81.03452	6.7
83.01368	5.4
84.22665	0.6
85.02930	1.7
90.05530	0.6
93.03444	4.6
95.01364	2.4
95.05022	4.0
96.96018	1.5
97.02953	4.5
99.04511	2.7
107.05000	2.0
108.02168	1.0
109.02946	2.5
109.06582	0.9
111.00820	0.8
111.04497	2.3
113.02487	1.6
115.00396	1.0
117.97304	1.4
119.05020	7.7
121.02946	2.4
121.06604	1.2
123.00825	0.9
123.04514	14.0
125.02435	11.4
133.01393	2.0
135.04532	3.6
135.98332	4.8
136.99142	4.6
137.02432	4.4
137.06085	6.3
139.04007	8.8
143.05125	0.6
145.02884	0.9
147.04521	3.3
149.02437	1.7
149.06067	1.1
150.03152	1.5
150.85959	0.6
151.03964	2.6
153.05528	1.9
155.03531	0.8
159.04573	0.8
161.06061	1.7
163.03967	2.8
163.07631	1.7
164.04733	1.0
165.01895	2.9
165.05566	6.4
166.02544	1.0
167.03487	27.5
168.03909	0.7
177.01898	0.8
177.05559	2.2
179.03499	7.5
180.04283	1.1
181.05019	3.2
189.05580	6.2
191.03476	2.1
191.07184	0.8
193.05023	3.5
195.06592	1.4
197.04512	5.2
207.06619	1.7
209.04541	27.8
210.04904	1.2
219.02979	1.0
221.04512	4.5
223.06154	1.2
229.08684	1.6
233.04619	1.3
235.06113	1.0
239.05598	9.8
251.05588	4.0
263.05521	1.8
269.06702	1.9
273.07690	4.4
275.05588	0.7
281.06445	1.1
285.04272	0.6
285.07733	1.6
315.08713	16.1
316.09070	0.9
327.08734	7.5
329.10095	0.9
339.08789	1.0
345.09760	6.3
357.09766	100.0
358.10016	7.4
369.09778	4.1
387.10806	71.6
388.11133	5.3
399.10751	4.0
401.14404	1.8
417.11841	23.7
418.12207	1.7
429.11911	2.0
430.12473	0.7
441.11972	1.2
447.12955	1.1
459.12878	10.0
460.13144	0.9
468.97510	0.8
471.12955	0.9
477.13950	24.3
478.14325	2.7
489.13843	6.4
507.15115	2.6
561.15918	0.9
579.17072	2.4
597.18164	14.1
598.19000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55203	1.2
59.01380	3.4
67.50079	0.9
71.01387	6.3
72.99281	1.8
73.02938	3.6
79.25993	1.1
81.03456	1.3
83.01411	1.4
85.02990	2.2
87.00870	22.4
88.53144	1.0
93.03452	3.6
96.96003	1.9
97.02950	1.7
99.00861	3.1
100.01656	3.4
101.02438	2.4
101.97647	0.9
109.02963	2.2
111.00871	12.0
112.98817	4.6
121.02931	4.9
122.03728	8.5
123.00890	6.1
123.04511	3.3
124.01615	1.1
125.02428	3.3
133.02992	1.7
135.04518	1.7
137.02463	2.9
142.99860	3.1
147.02962	1.2
147.04605	1.2
149.02443	21.9
150.03215	69.3
151.00311	1.6
151.04008	5.0
153.02017	1.2
161.02414	3.4
163.04027	2.8
164.04742	9.2
165.05554	85.6
166.02705	5.0
166.05940	3.1
173.00937	5.3
173.02141	1.0
174.01688	2.7
175.03969	2.1
176.04755	4.4
177.02029	1.5
178.06313	2.8
179.03479	4.0
179.07126	7.2
180.04260	5.8
181.05087	5.6
189.05594	1.4
191.03558	5.5
191.05476	1.8
191.07176	3.2
193.08784	2.2
194.05823	6.2
195.06604	32.9
196.06987	1.4
203.03471	1.7
203.07076	1.3
205.04987	3.0
206.05789	3.6
207.06589	1.5
209.04597	2.7
209.08147	4.9
219.02986	1.9
219.06451	1.2
220.03650	1.3
221.08189	4.8
229.08763	1.4
233.08015	1.1
234.05302	3.0
237.07855	0.9
247.02469	3.3
247.05957	2.2
249.03854	1.6
249.07727	2.8
261.03995	2.9
262.04681	4.6
264.06351	3.3
265.07126	4.3
276.06451	2.7
277.07129	10.6
291.08804	1.5
295.08536	1.3
327.12503	1.7
337.05252	1.7
337.09229	26.2
338.09561	1.7
369.13324	8.1
385.12463	1.3
401.61841	1.2
413.12448	2.8
443.13153	1.3
461.14465	24.1
462.14987	1.3
473.14767	2.8
485.14954	1.5
503.15903	1.4
521.16473	2.1
531.15063	1.3
533.16858	8.0
579.17157	17.4
580.17383	1.3
597.18219	100.0
598.18604	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	597.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69734	0.7
57.03439	1.3
59.01365	1.7
59.61384	0.7
69.03423	0.7
69.97755	3.3
71.01387	3.8
72.99283	1.5
73.02940	1.8
81.03459	0.9
82.22234	0.8
83.01372	3.8
85.02923	3.7
85.06520	0.8
87.00867	24.0
88.98790	0.7
93.03448	2.4
96.95992	4.3
97.02910	0.9
99.00845	3.2
100.01705	0.8
101.02439	4.4
102.15984	0.9
108.02152	1.3
109.02936	2.4
110.00097	1.1
111.00869	28.8
112.98787	1.1
113.02425	0.8
115.00331	0.8
120.99638	1.4
121.02935	3.7
122.03731	10.6
123.00853	1.1
123.04489	2.9
125.02422	2.4
127.03954	1.0
127.94563	0.7
129.01942	1.2
130.87555	0.7
131.03459	1.8
133.02876	1.1
135.04448	1.0
136.01595	1.0
137.02417	2.2
138.03207	1.1
139.03995	1.3
147.02980	1.6
149.02425	18.9
150.03210	61.3
151.00378	1.3
151.03992	8.1
153.05536	1.4
161.02403	2.3
163.03983	2.4
164.04774	11.0
165.05551	70.1
166.02675	2.9
166.05904	1.9
173.00847	1.6
173.02516	0.8
175.03951	1.6
176.04761	2.2
177.01888	0.9
179.03491	4.1
179.07127	9.2
180.04265	4.8
181.05061	6.6
182.05397	0.7
190.02679	1.2
191.01880	2.2
191.03458	2.5
191.05528	1.1
191.07198	1.3
192.04234	1.0
194.05824	4.9
195.06601	22.6
204.04132	1.2
205.04967	2.5
206.05774	1.6
207.06557	0.9
209.08139	6.2
210.08434	0.8
210.48648	0.7
219.02989	1.4
219.06577	1.6
221.08025	1.0
222.05214	0.8
233.04575	1.2
234.05304	1.3
246.05145	1.2
247.06073	1.6
249.03993	2.3
249.07634	4.7
250.04895	1.0
263.05798	0.9
264.03854	1.1
264.06403	11.3
265.07159	5.2
271.58078	0.8
276.06250	0.8
277.07108	1.2
279.08807	1.5
291.08679	1.6
293.12439	0.7
337.09201	9.4
343.23004	0.8
357.13443	1.1
369.13409	0.8
385.12930	1.3
399.18073	0.8
400.10300	0.9
413.12357	6.0
461.14481	42.9
462.14926	3.2
473.14548	2.1
487.16016	2.4
505.17212	2.4
521.16669	3.2
533.15796	1.8
579.17065	8.6
597.18158	100.0
598.18475	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	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93610	2.6
77.98949	0.6
78.95895	57.5
79.63064	0.5
92.21418	0.6
92.39256	0.6
94.27523	0.5
96.96952	10.3
135.03754	0.6
137.52472	0.6
142.61739	0.6
150.97971	1.4
151.14909	0.6
152.99573	83.3
153.99933	0.7
160.84251	0.8
171.00618	2.5
223.00125	10.1
241.01164	20.8
247.70625	0.6
259.02179	1.2
279.23251	60.4
280.23560	4.2
315.04788	13.1
333.05701	0.8
339.15033	0.7
452.09064	0.7
520.35657	0.7
595.28802	100.0
596.29193	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	595.2791
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01374	2.6
61.98810	1.3
63.96219	1.3
71.01380	5.2
71.62846	0.5
73.02942	1.1
74.92918	0.4
78.98576	4.1
79.95723	8.8
80.96506	49.7
81.03424	0.9
82.96082	1.1
83.01422	0.5
85.02953	2.4
87.00868	1.6
94.97463	0.6
94.98077	11.5
96.95999	1.6
97.02959	1.1
99.00859	0.6
101.02416	2.3
106.98071	2.2
113.02431	0.7
114.57282	0.4
121.02908	0.7
122.97572	1.4
125.02454	2.3
134.97568	4.3
136.99123	1.5
140.92052	0.5
145.02914	0.6
148.99101	3.8
152.98621	3.8
164.98605	11.0
188.98630	0.7
206.99638	2.3
225.00699	13.3
226.01096	0.9
277.21658	0.6
295.22729	1.5
299.04309	3.2
595.27753	100.0
596.28137	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	595.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73576	0.6
57.03485	1.9
59.01368	31.1
61.98818	3.3
68.00517	0.6
69.70832	3.6
71.01374	4.5
72.99344	0.8
77.05550	0.6
83.01449	0.7
85.02972	1.0
89.02482	2.0
93.03455	2.9
96.96032	1.8
99.04507	7.2
101.02467	2.0
109.06631	0.7
111.64711	0.6
113.02470	1.4
117.03458	8.9
119.03690	1.5
119.05008	45.9
120.05389	1.7
121.02935	7.2
123.04519	1.5
125.02500	0.9
128.48749	0.7
131.05063	1.2
132.05849	2.8
133.02937	3.0
133.06587	12.3
135.04547	1.0
145.02927	41.4
146.03307	1.3
147.04529	2.2
149.02461	1.3
149.06075	1.0
151.00322	1.7
159.04480	1.5
161.02463	1.9
161.06053	28.4
162.03183	1.0
163.03983	44.6
164.04382	1.7
165.12801	4.6
177.05522	13.1
180.87692	0.6
187.04012	2.7
189.12819	0.8
191.05594	1.1
191.10918	0.9
199.04103	0.8
205.05031	26.7
205.20097	0.8
206.05400	1.0
207.13863	7.2
209.11806	24.6
225.14877	4.0
235.06081	13.6
235.08258	1.0
236.06392	0.9
251.12848	4.7
265.07126	29.2
266.07437	1.6
268.03720	2.2
269.04468	7.6
269.13889	100.0
270.14139	4.9
284.03143	2.6
285.04010	25.3
286.04257	3.5
287.04620	1.7
287.14978	0.8
325.09204	9.8
375.27194	1.1
382.75644	0.8
413.08566	0.8
449.20178	19.9
450.20471	1.6
462.49100	0.7
473.10712	3.5
488.58246	0.7
558.01160	0.6
577.22443	0.9
595.13867	13.3
595.23541	69.4
596.14392	1.7
596.23877	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	595.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35079	0.4
55.98996	0.4
59.01361	1.6
61.98825	6.0
63.02399	1.8
65.00332	1.0
70.37321	1.7
71.01384	1.4
83.01428	0.7
85.02951	1.0
89.02445	0.6
91.86932	0.5
93.03436	0.7
93.33692	0.4
95.01410	0.5
96.96000	2.1
101.02462	1.0
107.01394	2.1
109.02921	0.5
114.94691	0.4
117.03457	15.6
118.03797	0.6
119.04196	0.8
119.05008	6.4
121.02947	50.1
122.03258	1.3
125.02421	1.1
133.02942	2.0
135.04526	0.7
137.02426	0.7
145.02937	30.8
146.03302	2.5
147.03493	0.5
149.02431	1.7
151.00352	3.4
155.05080	0.5
159.04471	1.1
161.02429	2.1
161.04591	0.5
163.04010	2.1
165.05629	0.7
169.06696	0.6
171.04512	0.7
175.03992	0.8
178.99828	0.9
181.05020	0.6
183.04546	0.6
191.05597	0.5
197.06097	0.7
199.03984	1.2
201.05650	0.6
209.11861	0.5
214.28725	0.5
220.52744	0.5
225.05574	1.7
227.03412	0.7
231.01549	0.4
237.09821	1.0
239.03436	1.2
240.04240	0.9
242.86922	0.4
268.03729	30.9
269.04514	100.0
270.04865	6.4
284.03189	2.2
285.03934	16.2
286.04306	16.1
287.04581	12.6
307.08307	0.8
311.05679	2.2
371.24509	0.5
373.25888	1.7
375.27521	2.6
389.25461	0.9
413.08719	15.7
414.09225	0.6
423.16785	1.2
431.09750	5.9
449.09805	1.0
473.10834	43.5
474.11218	4.4
526.22125	0.5
534.83881	0.5
577.13452	12.2
578.13605	1.1
595.13574	27.2
595.27692	2.0
596.13599	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	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56917	0.6
57.03181	0.8
57.03440	9.4
59.01091	1.2
59.01374	20.8
61.98831	8.9
63.02360	1.1
65.00320	5.4
67.01846	0.7
68.99818	0.8
69.90944	0.6
71.01367	1.5
73.02956	0.8
74.80621	0.7
81.03472	1.6
83.01374	7.8
85.02980	0.9
91.01858	0.7
93.03447	2.8
95.01386	1.0
95.05034	1.0
96.95980	1.1
97.02933	1.5
98.19845	2.2
101.02422	0.7
104.44942	0.7
105.03458	0.7
107.01374	8.1
109.02942	3.8
113.02458	1.5
117.03485	5.4
119.05025	2.9
121.02975	3.7
121.03716	0.7
123.00887	0.9
123.04510	4.2
124.01662	2.1
125.02437	100.0
125.53445	0.6
126.02762	1.6
131.01392	1.2
133.02957	9.0
133.55954	0.8
135.04503	1.5
137.02396	4.5
139.04013	3.0
145.02945	16.8
145.04088	1.0
147.04514	6.7
149.02422	13.9
150.03217	1.7
151.00360	32.8
151.03993	3.6
152.01067	2.9
153.01926	22.0
161.02441	4.6
161.06046	2.0
163.00330	1.0
163.04010	4.1
165.01933	1.2
166.02728	1.0
167.03519	1.1
169.01482	1.0
174.01698	0.9
174.03172	1.7
175.00365	4.0
175.03972	11.2
177.01915	24.9
177.05614	0.8
178.02567	0.9
178.99841	14.8
179.03441	2.4
181.01405	9.1
183.04810	0.8
185.06010	0.8
188.04770	2.1
189.05574	4.7
191.03542	2.2
191.05609	2.1
193.01389	1.6
193.04953	1.1
195.02971	1.8
199.04004	7.2
201.01917	1.7
205.01361	0.9
211.07623	1.8
213.05524	1.2
215.07159	0.8
216.04219	1.3
217.05063	6.3
231.06738	1.1
241.05035	4.8
243.02936	0.9
257.04553	1.1
259.05942	4.8
269.04636	1.3
275.05585	20.3
276.05829	1.3
285.04028	56.9
286.04358	3.6
299.05508	8.0
300.02859	1.0
301.03094	1.3
302.03494	1.7
303.05066	75.6
304.05316	3.7
309.04282	1.1
327.05161	1.7
443.09814	2.3
445.11514	1.8
471.09140	6.1
472.09308	1.0
473.10825	8.2
477.49011	0.8
567.14960	3.7
577.13562	2.7
577.21149	1.2
595.13849	7.2
595.30042	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	595.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36396	0.5
54.47549	0.5
57.03177	1.0
57.03444	16.5
59.01366	4.7
60.40477	0.6
61.98824	7.9
62.20654	0.7
65.00321	3.3
69.03440	0.8
69.32508	6.0
71.01378	3.3
73.02960	0.7
75.00854	0.6
79.17297	0.6
81.03461	0.9
83.01374	5.0
85.02946	1.3
88.98793	3.6
89.02475	0.9
93.03451	1.7
95.01366	3.6
96.96008	5.8
99.04462	0.7
101.02448	1.4
107.01395	3.8
108.02177	1.0
109.02911	4.1
109.06554	1.0
110.00101	0.7
111.00871	1.9
113.02423	0.9
116.92841	1.9
117.03457	1.4
119.04994	2.2
121.02941	6.0
121.06649	0.7
123.00872	1.8
123.04524	4.4
124.01645	7.8
125.02432	100.0
126.02766	2.3
127.07671	3.8
133.02908	2.6
134.03757	0.9
135.04491	3.6
137.02431	4.7
137.06081	3.2
139.00369	1.3
139.03978	1.5
139.11266	0.9
145.02933	6.7
146.03665	0.8
147.04520	3.9
149.02438	3.9
149.08316	0.6
150.03235	3.7
151.00354	12.8
151.03958	6.2
152.01140	14.8
153.01933	8.4
155.07121	2.8
161.02380	1.8
161.06081	2.1
161.13399	3.1
161.48215	0.6
163.00349	2.2
163.03984	1.9
163.11270	0.7
165.05559	1.3
169.01433	0.9
171.04495	1.0
172.05228	1.3
173.06021	2.0
174.03212	2.4
175.03993	10.8
176.01186	2.5
177.01913	7.7
178.99838	9.8
179.03497	1.1
181.01334	0.8
183.10216	6.4
187.03957	1.2
188.04762	1.5
189.05530	6.0
191.03497	1.5
191.05559	1.5
191.07188	1.4
193.04990	2.9
197.11826	4.2
199.03951	3.4
203.07155	0.7
205.12317	8.8
207.10252	0.6
207.13858	1.8
213.05467	1.1
215.03470	0.8
215.07071	2.3
216.04272	1.5
217.04985	10.8
219.02933	1.0
220.03697	0.9
225.11264	7.6
227.07182	0.9
230.05803	0.7
231.06577	3.5
235.06090	0.9
239.03307	0.8
241.04973	2.6
243.03011	0.9
249.11279	9.6
256.03647	0.9
257.04553	1.3
258.05365	0.8
259.06082	12.5
260.06317	0.6
269.04526	1.2
274.04703	1.2
275.05533	6.1
284.03235	2.0
285.03995	32.5
286.04324	1.8
287.05328	0.9
303.05026	14.5
304.05420	0.7
327.14026	0.6
419.09631	1.1
433.22098	0.9
531.89514	0.7
551.15472	2.6
559.25305	0.7
567.15002	17.5
567.23547	1.2
568.15430	2.0
577.12762	7.3
578.13599	0.8
595.14490	72.5
595.28522	4.6
596.14734	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	595.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01377	1.8
59.63566	0.4
61.98824	10.8
62.99031	0.4
63.02388	1.1
63.44828	0.4
65.00320	16.3
65.00666	0.8
70.77710	0.3
71.01379	1.5
71.57168	0.6
78.82468	0.4
81.03452	0.7
83.01379	6.2
85.02948	0.4
93.03436	0.7
96.96001	0.5
101.02451	0.7
107.01381	24.1
107.05008	0.5
108.48412	0.3
109.02946	1.6
113.02411	0.7
116.92875	0.7
117.03457	9.2
119.05013	6.9
121.02946	0.8
123.04513	0.6
125.02437	19.7
133.02940	4.9
134.03720	1.7
135.04514	77.8
136.04831	2.6
137.02393	0.7
143.20894	0.4
145.02937	42.4
146.03304	1.2
147.04504	1.5
148.04854	0.4
149.02501	0.5
151.00357	100.0
152.00650	2.3
154.11211	0.4
157.06598	0.4
159.04527	4.1
160.01672	0.7
161.02428	22.1
161.06026	1.0
162.02792	0.9
163.03987	7.9
164.01135	0.8
165.01851	0.7
169.01421	1.0
174.03163	0.5
175.03961	0.7
177.01933	2.9
177.05611	0.6
179.03505	0.5
185.06107	0.4
187.03996	0.7
194.28484	0.4
200.04713	0.5
201.05545	2.0
202.05780	0.4
205.05008	0.6
215.07051	0.4
225.05634	0.8
243.06583	10.2
244.06839	0.5
247.06128	0.7
269.04514	1.1
285.03986	1.6
287.05582	40.1
288.05936	1.9
297.09732	0.9
302.03717	0.4
303.04517	1.2
307.08203	16.4
308.08441	0.9
323.07660	0.8
377.10229	1.0
385.18997	0.4
405.11801	0.6
443.13348	6.6
444.13593	0.6
449.10864	12.6
450.11136	1.3
469.11392	14.2
470.11710	1.4
551.15497	1.2
595.14496	50.0
595.29608	6.2
596.14783	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	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43753	0.5
57.03445	3.0
59.01374	7.1
63.02376	0.8
64.99990	0.8
65.00320	15.9
70.94299	1.6
71.01361	1.2
83.01385	5.5
85.02943	0.7
89.02418	0.5
93.03467	1.0
97.79298	0.5
99.04506	1.5
101.02456	0.9
107.01382	20.3
108.01646	0.7
109.02951	0.8
112.17040	0.5
113.02402	1.0
117.03459	6.6
119.05016	13.4
121.02914	0.7
125.02434	15.4
132.05858	0.6
133.02951	4.2
133.06581	2.8
134.03717	2.3
135.04509	79.0
136.04829	2.2
137.02428	1.2
145.02940	39.4
146.03261	1.6
147.04448	0.8
151.00356	100.0
152.00699	2.4
159.04478	4.1
160.01587	0.6
161.02431	18.5
161.04834	0.8
161.06049	5.9
163.04007	13.8
177.01965	2.1
177.05544	2.2
179.03464	1.4
187.03972	0.9
201.05574	1.4
205.05008	6.1
207.13864	1.0
209.11810	4.7
235.06152	2.1
243.06581	9.9
251.12859	0.7
265.07074	5.6
269.13922	17.1
270.14203	0.7
285.03909	1.5
286.04282	1.0
287.05579	42.1
288.05951	2.3
297.09708	1.1
307.08182	16.0
308.08557	1.1
323.07825	0.5
325.09421	1.6
369.08163	0.6
443.13483	6.1
449.10849	15.2
449.20074	3.6
450.11276	1.7
469.11377	14.2
470.11908	1.4
483.60095	0.6
551.15863	1.3
595.14728	47.8
595.24182	14.0
596.15137	5.9
596.24988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03432	1.3
59.01369	3.5
61.98822	7.1
63.02375	0.8
65.00317	13.6
69.37683	3.9
71.01373	3.7
73.02940	1.0
75.00874	0.6
81.03483	0.6
83.01371	6.2
83.05030	1.2
85.02943	2.0
89.02436	1.8
93.03469	1.3
96.95998	1.4
101.02423	2.9
106.49015	0.4
107.01376	23.2
108.01750	0.5
109.02946	3.9
113.02450	1.8
117.03465	4.3
119.05036	2.3
120.99629	0.6
121.02947	1.8
123.04519	1.3
125.02427	10.2
125.03281	0.7
129.05569	1.3
131.01373	2.1
133.02946	7.4
134.03722	1.0
135.04507	63.6
136.04837	1.9
137.02429	1.8
145.01839	0.9
145.02945	13.9
147.04486	0.7
149.02405	1.5
151.00351	100.0
152.00664	2.2
153.01952	0.8
153.87437	0.5
155.03444	1.1
155.74193	0.4
159.04512	0.5
161.02415	6.2
161.04559	1.6
161.05829	0.6
163.03947	2.4
165.01918	1.5
167.03485	0.9
169.01465	0.8
175.00363	6.2
176.00824	0.5
177.01901	6.9
179.03418	0.5
181.01367	0.7
187.04088	0.5
193.01312	2.3
199.44232	0.4
199.71649	0.5
202.98244	0.6
202.99803	2.8
205.05093	0.6
211.07448	0.7
237.09715	2.2
241.05133	0.6
269.04532	3.8
271.06061	0.8
275.05530	0.6
285.04034	2.7
287.05573	79.9
288.05881	4.5
297.04086	0.7
303.05063	2.0
307.08215	12.5
311.05557	1.0
357.26242	0.8
373.21979	0.9
373.26117	1.1
374.26160	1.0
375.27286	2.8
376.27841	0.6
433.09277	3.4
459.09265	3.0
535.18921	1.0
535.27472	8.2
536.27753	0.7
595.14453	25.5
595.27893	5.8
596.14471	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	595.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
71.01367	2.0
73.02946	0.4
79.95730	35.0
83.01398	0.4
85.02938	0.4
87.00840	1.9
91.66990	0.3
95.95229	2.2
96.96000	100.0
101.02433	0.5
109.96793	0.5
110.97532	0.4
112.95158	0.3
115.00331	2.3
122.97505	0.3
137.02411	0.6
141.95763	1.0
145.02882	0.5
151.03946	1.7
161.04639	0.5
165.01915	0.4
174.01634	1.6
175.02504	1.8
185.11868	0.4
223.08223	1.1
230.99684	0.7
245.01273	0.4
251.83784	0.4
280.07327	0.5
285.34076	0.4
292.64944	0.4
295.09647	1.5
310.12006	1.0
371.24222	2.0
384.96561	0.4
387.23724	0.4
389.25439	2.4
405.06372	1.6
419.07983	5.3
420.08771	16.1
421.09311	2.3
443.81232	0.4
535.09113	0.5
535.31287	1.2
577.10083	1.2
595.11176	77.5
596.02802	0.7
596.11493	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
59.01370	3.6
61.98827	4.6
71.01378	4.1
71.63558	0.9
73.02948	1.2
73.50594	0.4
74.99107	0.5
80.96499	0.7
83.05017	0.4
85.02944	2.2
87.00870	0.5
87.04523	0.6
88.31585	0.4
89.02437	1.4
91.76242	0.4
96.96005	2.7
98.46435	0.4
101.02445	1.6
105.03434	0.4
108.71354	0.4
109.02948	0.4
110.74096	0.4
113.02452	1.3
117.03461	1.6
120.99628	0.6
121.02968	0.7
123.04558	0.5
125.02402	0.9
128.47017	0.4
132.02162	14.4
133.02960	3.2
134.03726	21.0
135.04395	0.8
136.01672	0.5
137.02429	1.6
145.02933	0.9
147.04521	0.8
149.05029	0.4
149.06053	2.3
160.01640	77.1
161.02092	3.6
161.04485	0.4
175.03979	83.8
176.04337	3.4
177.01898	0.5
177.05615	0.7
178.02666	1.1
179.03421	1.1
191.07162	0.8
193.05032	19.7
194.05255	1.0
195.06552	0.5
221.04433	0.6
235.06128	1.0
271.99521	0.4
282.01541	0.4
285.03946	0.9
301.03592	0.7
393.22842	0.5
395.24246	1.1
507.21811	0.5
510.38278	0.5
580.29559	0.5
593.29578	100.0
594.29968	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	593.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03426	0.5
59.01377	3.7
61.98828	2.2
70.08083	0.5
70.08498	0.9
71.01367	3.6
73.02938	0.8
81.03455	0.7
83.01361	0.8
85.02935	1.9
87.00819	0.3
89.02440	1.0
96.96017	0.4
97.02962	0.3
101.02428	2.3
101.53281	0.3
113.02430	1.4
117.03461	1.3
119.05061	0.4
121.02871	0.5
122.03754	0.3
125.02427	2.2
132.02155	19.4
133.02953	3.9
134.03723	20.4
135.04399	0.9
137.02444	0.9
139.04025	0.4
147.04485	0.5
149.02400	0.3
149.06064	2.9
160.01639	89.9
161.02042	2.9
175.03978	92.5
176.04282	3.8
177.01962	0.5
177.05579	0.6
178.02757	1.4
179.03445	1.3
191.07178	0.6
193.05034	22.2
194.05360	0.6
221.04472	0.7
235.06073	1.0
268.59116	0.3
313.19821	0.3
351.25235	0.6
357.26160	0.5
359.28030	0.3
375.27539	0.6
395.24329	19.8
396.24692	1.6
479.00818	0.4
557.29388	1.8
593.29584	100.0
594.29913	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	593.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.6
61.98823	16.3
71.01370	6.1
73.02937	1.9
75.00864	0.7
85.02946	2.7
87.04518	0.9
89.02425	2.0
95.01366	1.1
96.96014	4.1
99.00890	0.7
101.02422	3.5
101.06055	0.7
109.03039	0.6
111.60767	0.7
113.02432	2.2
113.10921	0.6
117.03443	2.1
119.03512	1.1
119.04971	1.1
121.02932	0.9
123.04509	0.7
125.02429	3.1
130.05865	0.6
131.07144	1.6
132.02147	15.6
132.07509	0.8
133.02907	2.8
134.03726	21.9
135.04358	0.9
137.02423	1.7
145.02937	2.5
149.06061	3.3
160.01640	75.1
161.01997	3.1
161.04530	1.9
161.05913	0.7
163.03989	0.8
165.05470	0.8
175.03976	83.9
176.04355	4.0
177.01755	0.7
177.05573	0.7
178.02637	1.3
179.03468	1.4
191.07143	1.5
193.05038	23.2
194.05447	0.8
195.06613	1.8
219.03111	0.6
235.06129	1.8
235.12041	0.7
251.11311	4.7
265.07111	0.9
285.04001	2.2
359.27917	8.7
375.27359	1.2
395.24304	9.3
395.75580	0.8
557.30157	0.8
593.13837	2.6
593.29602	100.0
594.29889	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	593.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
57.73880	0.3
58.24783	0.3
59.01373	5.4
61.98824	11.7
70.47894	0.5
70.48243	0.8
71.01375	4.4
73.02947	0.9
81.02184	0.3
83.01376	0.9
85.02940	1.7
89.02435	1.1
89.03934	0.5
89.23760	0.3
91.25407	0.4
93.03506	0.4
95.01433	0.4
95.05027	0.4
96.96008	1.3
98.95600	0.6
99.00853	0.3
101.02431	2.9
111.45863	0.3
112.98510	0.5
113.02451	1.6
117.03445	1.7
119.05033	0.8
121.02931	0.5
123.04453	0.5
125.02441	0.5
132.02158	17.5
133.02991	2.9
134.03725	20.5
135.04523	0.7
137.02417	1.2
145.02946	1.4
147.04425	0.3
148.05304	0.7
149.06091	2.7
151.00346	0.6
160.01640	86.7
161.02019	3.4
161.04437	1.6
163.07637	0.5
175.03979	90.1
176.04317	3.4
177.01904	0.7
177.05464	0.6
178.02684	0.8
179.03455	1.1
181.33427	0.4
193.05035	25.4
194.05429	1.0
221.04552	0.8
225.11337	0.5
235.06090	0.9
251.11325	1.7
285.03928	1.0
301.03445	1.2
313.24002	0.5
350.75946	0.3
359.28040	2.4
375.27261	0.7
423.59473	0.4
593.29584	100.0
594.29913	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	593.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30503	0.3
58.93545	0.4
59.01379	1.7
61.98827	8.6
63.99245	1.4
66.07542	0.3
66.93447	0.3
68.71436	0.3
69.03469	0.3
69.93941	0.3
71.01380	2.7
71.40218	0.6
71.67255	0.3
73.02943	0.4
73.11806	0.3
75.00902	0.4
78.13534	0.3
83.01392	1.0
85.02928	1.9
85.42323	0.3
87.00894	0.4
89.02458	0.7
89.03935	0.4
95.01416	0.3
99.00893	0.4
101.02446	1.2
101.73531	0.3
105.03429	0.4
113.02467	0.6
117.03455	1.1
121.02905	0.4
124.25549	0.4
129.01947	0.6
132.02159	14.8
133.02994	3.0
134.03728	23.1
134.82648	0.3
135.04323	0.6
136.01663	0.3
137.02449	1.5
147.04526	0.4
149.06058	3.1
159.02968	0.6
159.04420	0.3
160.01643	67.8
161.02206	2.5
175.03986	75.0
176.04349	2.7
177.04036	1.4
178.02650	1.1
179.03467	0.8
191.07124	0.4
193.05035	25.3
194.05350	1.2
221.04607	0.4
235.06047	0.5
353.08826	0.8
379.25247	0.3
437.80814	0.3
578.27802	0.4
593.29602	100.0
594.29956	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	593.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41774	0.4
52.91669	0.5
53.95845	0.4
59.01372	1.0
71.21976	1.2
78.62224	0.5
78.95897	68.2
96.96954	10.8
98.21944	0.5
101.13047	0.5
101.39825	0.5
150.98000	0.9
152.99576	88.0
153.99901	1.2
171.00592	2.3
223.00105	9.1
241.01189	22.5
242.01550	0.6
253.57010	0.5
259.02094	1.5
277.21695	42.2
278.22025	3.5
315.04846	12.6
333.06122	1.0
380.22195	0.5
593.27252	100.0
594.27649	11.4
615.88110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95498	0.4
59.01376	1.6
59.02103	0.4
61.98827	0.7
65.67408	0.4
71.01360	0.5
71.19254	0.8
78.95895	61.1
80.11264	0.4
96.96954	13.9
121.02969	0.6
134.98500	0.4
152.99570	54.1
153.99951	0.7
156.74779	0.4
166.50455	0.5
189.23058	0.4
209.11850	3.1
223.00067	2.7
241.01158	28.5
242.01535	0.8
242.32465	0.4
258.08948	0.4
259.02209	0.7
277.21680	47.2
278.22070	3.7
309.20413	0.6
315.04822	8.6
316.05048	0.5
413.21039	6.0
414.21222	0.7
593.27234	100.0
594.27466	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	593.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04367	0.5
56.17992	0.5
57.03436	1.5
59.01093	1.0
59.01375	16.9
61.98507	0.9
61.98823	12.8
65.00298	0.7
69.71779	3.1
71.01376	10.3
72.99316	1.3
73.02943	6.6
81.03434	0.6
83.01378	2.5
85.02951	2.7
87.00867	1.2
88.98772	1.3
89.02444	2.7
93.03460	0.6
95.01389	0.8
96.96002	4.8
97.02966	0.8
98.95583	0.9
99.00842	0.7
101.02426	8.7
103.05556	0.8
107.01368	1.2
109.02946	1.0
109.06602	0.5
113.02431	6.2
117.03447	2.1
119.03508	0.7
119.05012	2.4
121.02954	1.1
123.04478	0.7
123.08186	0.8
124.05269	0.9
125.02429	3.5
131.04994	0.6
133.02917	1.4
135.04478	1.1
135.19028	0.6
136.01590	0.7
137.02458	1.2
139.07634	3.8
143.03511	1.2
145.02948	6.7
145.06642	0.6
147.04510	100.0
148.04839	2.3
149.02415	3.8
151.00377	3.8
151.07658	1.9
160.01657	1.0
161.02417	2.3
161.04526	2.3
161.06068	3.9
162.03238	1.7
163.04021	2.6
163.11263	1.3
175.04019	2.0
177.01959	1.1
177.05569	1.4
178.06383	0.9
179.03436	0.6
179.10783	2.4
189.05583	0.9
193.05122	0.7
193.12288	1.0
205.12396	1.1
215.03595	0.6
223.13399	1.2
227.03494	0.9
237.09778	0.6
239.03484	0.7
241.14442	4.2
253.09282	1.3
255.02979	0.7
265.10870	0.7
269.04550	1.5
271.02597	0.9
272.03256	2.7
278.53452	0.6
284.03262	0.9
285.04019	10.4
286.04636	0.6
287.05872	0.7
297.03922	1.1
299.02115	0.8
300.02713	11.1
301.03494	32.6
302.04013	2.2
307.08038	0.7
316.59586	0.6
357.26251	1.4
381.93048	0.5
385.18665	23.2
386.19083	1.3
387.16586	1.4
401.25418	1.2
429.08130	0.8
431.09958	0.8
445.07574	0.7
468.71463	0.5
533.23224	3.2
533.30774	1.2
549.27130	2.1
557.22437	1.7
574.76245	0.7
593.13104	26.1
593.26447	5.5
594.12952	3.9
594.27118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23654	0.4
59.01374	0.9
63.02409	0.7
65.00326	0.4
70.06572	1.4
74.70507	0.4
75.23732	0.4
83.01357	0.5
89.02443	0.4
91.01887	0.5
93.03456	1.3
96.96024	0.8
98.50412	0.4
101.02415	0.4
105.75275	0.4
107.01373	2.0
109.02909	0.6
117.03473	0.8
125.02437	0.6
132.02202	0.9
135.00877	1.7
143.04993	1.1
145.02933	0.6
150.57744	0.4
151.00365	2.4
153.01958	0.6
157.06552	0.6
159.04495	1.1
161.02377	0.4
163.00372	2.6
164.01031	0.7
167.04970	0.5
169.06535	0.8
171.04492	0.8
183.04550	0.7
185.06088	2.6
187.03993	2.8
189.05525	1.0
191.05574	0.5
195.04419	0.8
197.05997	0.8
199.03876	0.9
201.05562	0.9
211.03976	2.4
213.05533	1.6
227.03467	31.8
228.03922	1.8
229.05006	10.2
229.07188	0.7
230.05339	0.5
239.03455	1.8
240.04190	0.7
241.04991	1.5
255.02953	50.4
256.03568	5.9
257.04532	6.9
267.02945	1.0
284.03223	63.6
285.03995	79.3
286.04355	4.3
327.04965	1.3
408.84976	0.5
431.19067	0.6
593.15015	100.0
594.15393	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	593.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02180	0.3
59.01372	1.8
62.51641	0.3
63.02396	1.0
65.00315	0.7
71.01376	0.9
71.39467	0.4
79.90643	0.3
83.01383	0.5
89.02440	1.2
96.95991	0.9
99.42407	0.4
101.02436	0.9
107.01380	1.4
109.02954	0.6
113.02445	0.5
121.02950	0.3
133.02934	3.9
134.03699	0.4
137.02481	0.3
147.04515	0.8
149.02432	1.0
151.00346	2.5
158.36232	0.3
161.13373	0.6
163.04041	0.4
165.05557	0.8
171.04507	0.4
171.07835	0.3
175.03978	1.8
177.01907	0.6
185.06108	0.5
187.11293	0.5
197.06033	0.3
198.03156	0.3
199.04001	1.7
201.02017	0.5
203.85101	0.3
205.12288	0.4
206.12770	0.5
207.06593	0.5
211.04099	0.3
213.05490	0.5
215.03566	0.3
217.05115	0.7
227.03313	0.3
229.05023	0.4
238.95816	0.3
241.05049	0.9
243.02893	0.6
249.11218	1.0
250.11746	0.6
251.11797	0.5
256.03711	0.8
256.18701	0.3
257.04395	0.3
284.03207	14.1
285.04004	100.0
286.04367	5.3
331.88785	0.3
375.45663	0.3
384.01688	0.3
413.17285	0.4
423.56012	0.3
429.17636	0.4
430.17795	0.4
431.18213	1.3
447.08896	0.3
593.15009	55.4
594.15338	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	593.1505
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
70.99475	0.8
71.01400	0.4
79.56705	0.4
83.01323	0.4
93.03432	1.4
117.03452	4.5
119.04994	0.7
125.02388	0.3
135.04518	2.3
137.02365	0.5
147.04492	1.1
149.02391	1.2
159.04431	0.5
161.02412	2.2
163.03967	1.4
173.02393	0.4
173.06102	0.6
175.03955	1.8
177.01938	0.5
177.05548	1.4
179.03415	0.6
187.03952	0.4
189.01900	0.7
189.05548	0.5
191.03429	1.3
197.05882	0.4
203.03473	1.0
205.04893	0.5
215.03564	0.4
217.05031	0.4
221.04456	0.7
221.61652	0.4
223.07593	0.5
224.08557	0.4
233.04503	0.6
245.04466	0.6
251.07074	0.6
266.05515	0.4
267.06531	0.6
268.07309	1.0
281.04617	0.8
281.08112	0.4
282.05353	2.0
283.06113	2.6
293.08051	0.4
295.06064	4.2
296.06860	2.7
297.07651	18.9
298.07892	1.7
307.06003	1.9
309.07651	2.0
311.05615	2.5
323.05630	3.6
324.06281	1.1
325.07132	7.7
326.07422	0.5
328.05847	2.4
335.05466	1.5
337.07108	2.7
341.06653	0.6
351.05072	0.5
353.06607	41.1
354.06888	4.2
355.08292	0.9
356.05386	0.8
365.06580	5.1
365.10660	0.6
367.08075	0.6
381.05997	0.5
383.07672	22.3
384.07953	1.7
395.07724	3.2
413.08795	2.8
425.08868	1.2
455.09735	0.4
473.10815	10.6
474.11288	1.3
503.12112	2.7
546.02606	0.4
575.13794	0.9
593.15027	100.0
594.15344	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	593.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	13.2
59.01376	2.3
69.66113	2.3
69.66541	2.4
71.01376	1.8
74.02463	0.9
81.03447	2.2
82.62355	0.6
83.01389	3.1
89.02451	1.8
93.03448	3.6
95.01370	0.8
95.05012	2.0
96.96008	2.6
97.02954	2.6
99.05638	0.7
101.02430	0.7
103.15550	0.6
105.03493	1.1
109.02934	12.9
119.05007	2.4
120.99658	3.5
121.02934	6.5
122.03744	1.0
123.00867	0.8
123.04511	9.6
124.01681	1.0
125.02433	100.0
126.02779	5.1
128.03535	1.4
131.74750	0.7
133.02921	2.6
135.04501	2.2
137.02425	19.4
139.03952	3.4
143.04588	1.9
145.02997	0.8
147.04459	0.7
149.02415	9.1
151.03986	10.3
153.01909	0.8
159.04497	2.0
160.05283	0.9
161.02429	3.6
161.06046	3.0
162.03171	1.0
163.00343	1.2
163.04028	4.4
164.01144	2.6
165.01945	4.6
165.96138	0.7
167.03467	5.7
175.03990	7.0
175.07635	1.1
176.01157	0.8
177.01910	89.2
178.02283	3.3
179.03455	4.7
185.05998	1.2
187.03990	5.4
188.04741	2.5
191.03534	1.2
191.05515	1.3
199.03886	0.8
201.05556	0.9
202.06247	0.8
203.03496	1.9
203.07094	7.4
205.01344	1.0
205.05026	5.9
211.03983	0.8
212.04887	0.7
215.03494	1.9
217.01352	0.6
217.04971	1.8
221.08133	0.9
227.06953	1.3
229.04980	2.1
230.05763	0.9
231.02956	0.9
235.14238	0.7
243.02928	3.7
245.04434	1.4
245.08154	9.5
255.02940	4.4
256.03702	3.0
257.04407	0.8
261.03995	2.9
269.04413	0.7
271.06189	0.8
272.08844	4.8
273.04095	4.9
274.88556	0.7
281.04599	1.8
283.02542	1.2
285.04047	2.2
287.05560	1.0
289.07141	48.1
290.07620	3.3
297.04291	0.7
297.07614	1.8
303.05063	8.4
305.06760	1.4
315.05084	3.2
315.08374	0.7
321.04279	2.6
339.08752	3.1
343.82889	0.7
353.06564	3.1
365.06879	0.9
381.09610	1.8
383.07587	1.9
407.07642	32.7
408.08087	2.9
425.08774	22.5
426.08963	1.5
437.08603	0.9
441.08264	3.6
467.09778	10.4
505.47272	0.8
508.73474	0.7
554.67572	0.9
585.07092	0.8
593.13293	18.7
594.13586	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	593.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	15.6
65.03956	1.1
69.90005	1.5
69.90413	3.9
81.03463	2.4
83.01385	2.9
87.84000	0.8
93.03444	4.5
95.05042	3.0
97.02946	3.4
98.20545	1.3
105.03423	1.2
105.85328	0.9
107.05010	1.5
108.02174	1.0
109.02940	19.9
120.83331	0.8
121.02956	9.0
123.00864	1.4
123.04527	13.4
125.02436	100.0
126.02788	2.9
127.69727	0.8
131.05026	0.9
133.02924	2.9
135.04497	1.6
136.01634	1.1
137.02428	19.7
139.03998	3.9
145.02965	0.9
146.03743	2.1
149.02422	12.4
150.03120	1.3
151.03992	16.5
159.04504	3.4
161.02534	1.8
161.06058	3.3
162.03169	1.8
163.00368	1.9
163.03944	3.6
164.01137	3.0
165.01888	4.1
167.03473	4.7
173.05981	1.6
175.03972	11.3
177.01912	98.9
178.02301	3.5
179.03531	5.8
187.03978	9.3
188.04729	2.8
193.05078	2.4
201.05569	1.1
202.06311	2.0
203.07124	7.6
205.01414	1.0
205.05043	7.1
211.03955	2.4
213.05525	1.1
215.03476	1.8
217.05075	2.2
219.03217	1.1
221.08235	0.9
227.03450	1.8
227.07141	1.8
228.04346	2.1
229.05028	5.6
231.02933	1.6
243.02930	4.8
245.08159	10.0
246.89673	1.0
247.06067	1.6
255.02975	15.1
256.03778	6.4
257.04468	2.8
259.05850	1.2
261.04016	2.1
269.04535	1.1
271.06247	1.4
273.03949	5.8
281.04416	4.5
283.02484	3.2
285.04037	4.1
289.07156	65.7
290.07523	3.0
297.04028	1.3
303.04993	9.6
305.06641	3.0
315.04980	2.6
339.08600	6.7
381.09741	3.1
382.10156	1.4
407.07651	77.3
408.07962	7.2
423.07230	1.6
425.08731	40.6
426.08847	3.7
441.08218	2.6
467.09683	8.6
575.11682	1.1
591.81262	1.0
593.13055	10.6
594.13043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1291
Annotation	Kaempferol-3-Glucoside-2''-p-coumaroyl
Peak:m/z	Relative Intensity
59.01360	0.3
61.98829	0.3
63.02403	0.8
65.00298	1.0
69.89993	0.2
70.22974	0.2
70.36275	0.2
83.01382	0.6
91.50404	0.2
96.95990	0.4
101.02444	0.2
105.03457	0.3
107.01395	1.6
109.02925	0.7
113.02498	0.2
116.48020	0.2
117.03458	5.4
119.05031	1.6
121.02934	0.6
125.02444	0.3
133.02931	5.4
133.06557	0.2
134.03723	0.3
141.33044	0.2
142.29300	0.2
145.02939	11.2
146.03210	0.4
149.02429	1.9
151.00360	3.7
163.03937	1.1
171.04446	0.5
175.03966	1.9
177.01947	0.5
179.63908	0.2
185.06042	0.4
187.03954	0.4
189.05539	0.3
197.06105	0.4
198.03053	0.3
199.03995	1.9
200.04547	0.2
201.01854	0.7
202.56856	0.2
211.04007	0.4
211.66649	0.2
213.05560	0.5
215.03406	0.4
217.05011	1.6
223.03947	0.2
227.03456	0.6
229.04881	0.3
239.03571	0.5
241.04851	1.0
243.02986	0.7
255.02945	0.6
256.03787	1.4
257.04474	0.6
267.02945	0.2
283.02457	0.3
284.03232	15.3
285.03998	100.0
286.04364	5.2
327.04929	0.5
352.08228	0.2
388.61597	0.2
447.09076	1.9
592.27472	0.2
593.12915	67.4
594.13171	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	592.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
62.44800	0.1
69.37632	0.9
69.38052	0.4
71.18048	0.2
121.02937	0.9
122.03288	0.3
124.04706	0.1
127.81430	0.1
157.05084	0.5
198.63248	0.2
316.73618	0.2
328.10385	0.2
341.46103	0.2
374.80823	0.2
483.24988	0.2
557.28766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69671	0.1
57.28584	0.2
61.98816	0.6
69.47131	1.2
75.97750	0.2
78.95891	1.1
79.95737	2.5
96.96003	100.0
97.95950	0.3
121.02962	0.2
287.22342	0.2
557.43390	0.2
592.29065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2607
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.95694	0.2
69.89399	0.6
69.89807	1.0
77.40941	0.3
84.66362	0.3
105.30344	0.3
106.06634	0.5
125.08739	0.2
205.84668	0.3
231.39447	0.3
267.27725	0.2
300.05273	0.3
371.50778	0.3
396.17151	0.7
429.16312	0.3
430.22110	0.3
443.22748	2.2
444.19131	0.7
445.19406	1.6
452.16449	0.3
455.22302	0.8
456.23254	0.7
458.21042	0.4
459.21371	2.0
467.18930	0.3
471.20749	1.1
471.25641	1.9
472.23254	1.9
473.23444	1.6
479.70300	0.3
482.21005	1.7
485.19708	1.8
487.25354	3.3
488.23065	0.3
489.22733	0.5
496.22708	0.6
497.23520	3.8
498.23495	0.5
499.21396	3.7
500.22122	12.0
501.22302	1.1
503.20947	0.4
504.21149	0.5
513.22736	0.6
514.23553	1.4
515.24445	100.0
516.24774	11.8
518.23175	0.4
519.23761	0.8
532.21307	0.3
547.26849	0.5
559.23352	5.2
560.23541	0.8
591.26007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
55.32613	1.4
57.03436	3.3
58.00596	3.0
59.01374	66.1
61.98821	6.1
65.00313	1.7
69.37759	13.9
71.01374	42.9
72.99301	4.4
73.02940	2.1
75.32077	1.4
75.81178	1.5
76.76076	1.4
80.96532	1.4
83.01380	5.1
85.02936	15.1
87.00877	4.4
89.02437	43.0
93.03440	1.8
95.01399	2.8
95.05026	1.6
96.95999	19.2
99.04522	8.2
101.02430	26.6
107.01398	3.8
111.04490	2.0
113.02437	25.0
119.03494	17.4
121.03011	1.9
123.04533	2.1
125.02451	8.5
131.03493	2.3
137.02428	2.0
143.03473	6.0
150.03200	4.2
151.00345	9.8
151.03864	1.5
157.01366	1.8
159.08197	1.8
161.02365	2.0
161.04535	3.7
161.13342	19.1
165.05568	4.9
165.27806	1.4
168.49380	1.6
175.02469	3.2
177.01906	3.3
179.05621	14.0
185.13313	2.8
187.11247	35.7
195.06549	3.1
203.14281	1.8
205.10474	3.2
205.12299	45.5
206.12610	3.0
222.13219	1.9
225.05585	3.4
229.12354	11.4
247.13434	2.8
249.11287	67.7
250.11581	3.4
259.13467	1.6
271.06018	5.9
291.12326	3.3
351.14328	3.9
359.14999	3.0
385.18588	5.5
397.09259	33.8
398.09528	4.6
411.16553	19.9
429.17569	100.0
430.17926	6.3
507.20172	5.3
531.20764	1.7
555.22363	7.1
573.12256	18.3
574.12476	3.7
591.14240	2.5
591.22675	19.6
591.31982	3.3
592.23077	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	591.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33674	1.4
55.01858	1.6
55.99551	1.3
58.00592	3.5
59.01375	100.0
59.14349	1.1
68.65707	1.2
69.03423	1.3
69.58597	9.3
71.01375	56.4
72.99287	5.6
73.01518	1.1
73.02928	3.1
77.99316	1.5
79.67837	1.3
83.01389	3.9
85.02943	11.5
85.84740	1.3
87.00848	3.6
89.02435	58.4
95.01365	5.7
95.58201	1.2
96.96010	6.8
98.19803	2.4
99.04527	6.5
101.02433	31.5
113.02435	30.1
115.48877	1.3
119.03490	23.6
120.05766	1.6
131.03482	3.3
143.03477	6.4
149.04489	2.1
157.06548	3.4
157.11427	1.3
159.08131	2.7
160.39975	1.3
161.04570	8.6
161.09698	2.2
161.13350	28.3
174.73669	1.3
179.05597	22.3
184.87648	1.3
185.09724	2.0
185.13318	3.9
187.11263	54.1
188.11665	2.8
201.12810	1.6
205.12299	63.8
206.12640	4.5
229.12323	13.2
231.10199	4.5
247.13367	6.4
249.11279	94.6
250.11494	3.9
255.02449	1.4
291.12531	6.4
291.15125	1.4
334.22806	1.3
351.14563	2.6
385.18604	12.2
402.46759	1.5
411.16580	32.3
412.16742	2.9
429.17596	91.6
430.17841	5.8
511.65497	1.3
591.23108	18.5
592.22809	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	591.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03449	1.6
58.00588	2.5
59.01374	65.6
67.41291	1.0
69.61456	6.2
70.66370	0.7
71.01373	37.0
72.99314	2.2
73.02951	1.5
83.01366	2.1
83.05046	0.9
83.91553	1.0
85.02930	8.2
87.00851	2.0
89.02435	35.5
91.14832	0.9
95.01371	3.6
95.05051	1.2
96.96003	1.6
97.02926	0.9
99.04501	7.4
101.02428	19.3
107.05023	1.3
111.04507	2.7
113.02432	16.2
119.03493	14.9
123.04546	1.1
125.02461	1.2
135.04503	1.1
143.03476	2.9
148.18454	0.9
149.04457	1.1
151.00249	1.4
161.04538	3.7
161.09671	2.1
161.13353	15.4
162.13612	0.9
169.10211	1.4
172.08928	1.0
179.05585	11.3
185.13359	1.6
187.11263	27.5
188.11583	1.2
198.79192	0.9
205.12289	38.6
206.12679	1.8
208.98038	0.8
229.12260	5.3
231.10202	2.7
247.13409	2.2
249.11275	83.9
250.11646	4.0
273.11252	1.4
291.12497	5.1
339.14355	2.2
351.14523	2.2
385.18640	4.0
397.09204	4.6
398.13208	0.9
411.16586	26.6
412.16699	1.8
429.17587	100.0
430.17960	7.9
451.35532	0.9
465.70926	1.0
471.18750	1.2
472.96933	0.9
573.12427	1.7
591.22900	27.2
592.23022	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	590.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08108	0.3
61.98825	100.0
73.50263	0.2
106.47778	0.3
121.02968	1.0
123.04522	0.3
123.23504	0.3
171.32761	0.3
330.97562	0.3
350.70679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04352	0.4
59.01371	0.6
61.32722	0.4
61.98827	100.0
71.62517	0.5
73.45274	0.4
96.96004	1.1
97.84375	0.4
127.84348	0.5
160.93144	0.4
256.84744	0.5
287.00443	0.4
526.29681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21918	0.3
52.97678	0.3
57.23480	0.3
59.01368	0.8
61.98826	100.0
69.99859	0.3
71.01373	0.5
73.02938	0.4
80.12775	0.3
80.96521	1.6
81.47440	0.4
94.98087	0.5
96.96018	1.2
109.38520	0.3
121.02945	0.5
122.56186	0.3
143.56677	0.3
183.13922	0.3
225.00630	0.5
291.00488	0.3
293.21179	0.9
294.21518	1.4
470.29028	0.3
493.20523	0.4
555.42279	0.3
591.24744	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	589.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
55.90472	0.2
57.03437	0.3
59.01376	2.3
61.98820	0.6
71.01376	3.6
71.63275	0.2
73.02956	1.1
74.99085	0.5
83.01379	0.4
83.05016	0.2
85.02945	1.5
87.00875	0.2
89.02435	1.4
89.23035	0.2
93.03445	0.4
95.01356	0.4
96.95995	1.6
97.02965	0.2
97.06532	0.2
99.00902	0.4
101.02425	2.5
107.01382	0.2
109.02932	0.7
111.00831	0.3
111.04496	0.6
113.02435	1.5
117.14246	0.2
119.03491	0.5
121.02894	0.2
123.04492	0.6
125.02426	0.6
125.09704	0.9
127.11271	1.9
130.40707	0.2
133.02934	0.5
135.04491	0.3
137.02399	0.3
143.03517	0.4
143.41519	0.2
145.02936	0.7
147.04541	0.2
149.04518	0.2
151.00337	0.5
153.09224	0.6
153.95251	0.2
159.02913	0.2
161.02415	0.3
161.04529	2.8
163.04047	0.2
165.05513	0.2
167.03473	1.0
171.10248	100.0
172.10602	3.0
177.01898	2.0
178.02220	0.2
179.05614	0.4
183.10207	0.2
189.01962	0.8
191.05548	0.3
216.00575	0.2
217.01271	0.8
220.33553	0.2
255.02974	0.2
269.04160	0.2
269.13821	0.2
284.03372	0.2
285.04041	2.1
287.05511	0.3
323.05463	1.3
324.05887	0.2
341.06458	0.4
417.24872	12.8
418.25278	1.0
427.23441	0.5
433.09186	0.4
451.10440	0.5
454.40729	0.2
477.07990	0.4
546.63116	0.2
589.15405	0.6
589.24170	0.3
590.16553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54100	0.4
53.03926	0.4
56.65862	0.4
57.03438	1.2
58.00582	1.6
59.01088	0.7
59.01375	13.5
61.98822	12.6
63.57141	0.4
68.73531	0.4
69.03458	1.0
69.37527	3.3
71.00983	0.8
71.01374	13.8
71.44867	0.3
72.99290	1.7
73.02938	1.8
74.25179	0.4
75.00851	0.5
75.04125	0.3
80.52856	0.4
81.03454	7.0
83.01387	1.0
83.05016	33.4
85.02932	1.6
87.00927	0.4
89.02435	1.5
93.03451	5.4
94.03770	0.4
95.01374	0.5
95.05004	1.3
96.96000	11.9
97.02934	0.6
97.06583	0.6
99.08152	4.9
101.02424	2.8
109.02937	9.5
109.06554	0.7
111.04514	5.3
111.08110	0.6
113.02432	1.9
113.09706	0.5
121.02944	16.0
122.03284	0.6
123.04509	26.5
124.04821	0.6
125.02443	0.9
127.04023	0.6
129.09206	13.0
129.72034	0.3
133.02936	0.8
137.02438	10.2
138.02782	0.4
139.11311	0.7
141.12834	1.4
143.10773	0.9
145.02943	1.0
151.00308	1.2
155.03490	12.6
157.05045	1.0
161.04605	0.6
163.04034	0.4
169.12340	1.1
171.10228	0.8
175.03903	0.9
183.10277	3.2
183.13855	0.5
187.07619	1.1
209.11787	4.1
210.12157	0.4
223.20633	0.4
227.12862	0.8
241.21750	1.4
249.18443	0.5
251.20219	2.0
253.21692	0.5
257.08258	1.3
260.12411	0.5
267.19592	0.9
269.17938	0.7
269.21152	5.0
271.06049	0.9
271.22714	7.3
281.21179	0.7
283.22714	1.3
285.20743	0.6
287.22241	38.3
288.22687	2.2
293.17493	0.5
299.22287	3.5
301.23810	32.4
302.24100	2.0
311.22241	22.4
312.22607	1.7
323.22278	0.7
329.23343	7.6
341.23309	0.9
413.21878	0.4
427.77597	0.4
485.07959	0.5
545.23749	1.1
589.23334	7.6
589.32178	100.0
590.24274	0.9
590.32611	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78463	1.1
59.01373	22.7
61.98814	11.4
69.36411	11.0
69.76823	1.2
71.01376	5.1
71.05034	2.4
85.02969	1.5
89.02423	3.5
96.96013	3.8
101.02446	6.2
113.02469	3.1
121.02962	1.7
143.10754	1.8
161.04527	2.6
209.11771	2.6
209.15375	1.6
223.16823	1.5
235.08237	1.3
235.16982	20.2
253.09262	23.8
273.81787	1.2
275.20142	21.0
276.20569	2.7
293.21198	100.0
294.21503	5.6
382.54385	1.2
492.20294	1.8
611.84210	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	589.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10811	0.2
56.44141	0.2
56.52757	0.2
59.44478	0.2
61.98846	0.2
72.99295	1.5
73.40402	0.2
75.00864	100.0
76.01195	0.8
85.44518	0.2
87.39826	0.2
98.19849	0.5
100.54472	0.2
119.81709	0.2
120.76025	0.2
162.80746	0.2
193.45706	0.2
199.16141	0.2
250.86607	0.2
277.21677	0.3
296.52228	0.2
299.41089	0.2
501.32159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20417	3.4
55.50109	3.8
59.01373	34.7
61.98824	36.1
71.01382	15.9
71.04983	3.7
71.62952	6.0
85.02917	4.6
89.02419	4.7
93.42743	3.4
94.23106	3.1
96.95998	15.2
101.02436	10.4
113.02460	6.8
121.02974	4.9
125.02436	4.1
137.02489	3.7
161.04605	6.3
209.11743	4.4
220.21133	3.6
226.88257	3.6
235.17039	43.3
253.09232	50.8
272.11615	3.4
275.20120	86.9
276.20416	6.2
293.21194	100.0
294.21426	8.1
406.24716	3.4
410.14056	3.8
467.63297	3.5
492.19974	9.7
529.29919	6.4
589.25043	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	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	20.4
59.86055	0.6
61.98824	3.4
69.77502	3.7
71.01365	4.2
76.89864	0.5
85.02930	1.3
89.02423	4.1
95.01416	0.7
96.96007	1.5
101.02414	3.1
103.86245	0.5
109.06567	0.7
113.02431	2.6
119.03423	0.7
143.03487	0.6
161.04552	2.4
171.10275	1.8
179.05602	0.9
183.13869	7.4
195.13870	2.9
211.13383	1.7
223.13376	2.4
235.17032	3.5
253.09254	23.5
254.09674	0.9
265.21466	0.7
275.20114	9.6
276.20529	0.6
293.21201	100.0
294.21445	5.1
305.09811	0.6
351.48691	0.6
527.07599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46906	7.2
53.18192	7.5
59.01368	34.1
61.98824	100.0
70.03738	32.6
71.01382	19.1
73.02884	7.7
75.00867	12.7
83.05009	27.3
85.02916	9.5
89.02407	10.0
93.03431	23.3
96.95987	35.8
98.20490	10.1
99.00814	7.8
101.02425	12.8
109.02929	14.1
111.04501	60.1
113.02410	8.4
116.75622	6.5
123.04500	12.2
137.02406	11.5
147.04466	24.6
155.03435	13.1
161.04573	9.1
171.10275	8.2
187.07584	12.4
209.11830	22.0
251.11182	9.2
254.64850	7.1
257.08102	8.4
275.20071	12.2
293.21127	17.8
327.06320	16.0
442.44757	6.9
492.19727	16.9
545.23834	11.3
589.26367	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92960	0.3
61.98828	0.9
69.27011	3.8
72.99302	1.9
73.47768	0.3
75.00867	100.0
76.01202	0.5
81.33348	0.3
105.27090	0.4
152.99593	0.6
159.97881	0.3
203.28400	0.4
206.78804	0.4
234.25349	0.4
265.09961	0.4
277.21909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55618	0.6
57.19059	0.5
59.01375	2.6
61.98823	2.1
71.01376	2.3
71.62868	0.7
81.03460	0.6
83.05021	3.3
85.02926	0.8
88.98806	0.5
89.02444	1.7
89.03945	3.0
93.03457	3.7
93.10153	0.6
95.01362	0.6
95.05013	0.8
96.95432	0.7
96.96005	8.6
108.02149	0.6
109.02936	26.7
110.03246	0.7
111.04501	7.2
117.03431	1.8
119.05039	1.3
121.02948	2.5
123.04535	3.7
125.02418	3.5
126.02790	0.5
132.02200	0.6
133.02014	1.0
133.02946	10.9
135.00870	0.8
135.04521	3.8
137.02405	2.8
138.63255	0.6
142.61209	0.5
145.02937	19.7
146.28189	0.5
147.04500	1.6
149.02415	1.4
150.03244	1.0
151.04013	3.1
159.04491	1.6
161.02440	3.8
161.04579	0.7
161.06032	0.6
163.03925	0.9
167.03450	0.9
171.10248	5.5
172.10529	0.7
175.04025	1.1
176.01099	2.5
177.01906	100.0
178.02266	3.0
179.03467	1.5
179.05530	0.9
187.03990	2.9
189.01906	34.7
190.02591	3.7
191.03444	6.5
191.05269	1.0
201.01924	6.7
203.03421	2.2
209.11873	0.7
211.03983	1.2
216.00598	4.5
217.01382	46.3
218.01863	2.0
219.02930	4.9
223.07503	0.7
225.05505	0.8
227.03558	1.0
230.02243	0.5
231.02940	3.3
233.04234	0.6
233.06221	0.6
239.07217	0.7
243.02914	0.9
245.04396	0.7
253.05086	1.2
255.02936	6.4
258.01654	1.8
259.02301	1.0
261.05527	0.7
264.04416	0.9
267.06509	0.7
269.04477	1.0
277.04944	0.9
279.06558	1.9
280.03879	0.7
281.04425	1.3
282.01685	1.8
283.06207	1.4
285.04074	3.5
287.05627	3.0
289.07169	0.8
295.06058	0.6
296.06967	0.7
297.04028	7.2
298.04739	1.3
299.05496	2.7
305.04608	2.3
308.03113	1.1
311.05450	4.5
323.05563	77.2
324.05878	4.0
325.06961	0.6
327.05020	15.5
328.05347	1.2
329.06503	1.3
341.06613	28.1
342.06931	1.5
355.04425	0.9
367.04410	4.8
368.05148	0.7
391.08417	0.9
421.09216	1.8
427.23221	0.8
433.09186	23.9
433.15158	1.2
434.09677	3.9
435.10846	2.7
439.10327	1.8
451.10269	26.6
452.10657	1.8
461.08887	0.7
465.33063	0.7
477.08170	20.0
477.15024	1.0
478.08530	2.0
505.07407	0.8
552.90222	0.7
553.25970	1.3
571.12445	0.6
589.13727	1.9
589.27753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90512	0.5
56.48908	0.5
57.27684	0.5
59.01376	4.3
59.42051	0.5
61.98824	3.2
65.00311	0.9
69.26964	0.5
69.49342	1.5
69.49749	2.2
71.01377	2.2
73.02946	1.3
79.95705	0.5
80.98516	0.6
81.03462	1.0
83.05019	8.1
87.04535	0.8
89.02421	1.3
89.03969	1.8
93.03457	10.5
95.01395	0.7
96.96001	5.4
101.02464	1.2
108.02155	1.1
109.02941	33.3
111.04510	24.2
113.02442	0.9
117.03403	0.7
119.05029	0.8
121.02954	2.2
123.04513	6.7
123.26452	0.6
125.02417	2.5
133.02939	11.6
134.03766	1.1
135.04498	3.7
137.02428	1.9
137.21629	0.5
141.34323	0.5
145.02939	8.5
147.04524	1.3
148.05254	0.6
149.02435	1.2
150.03236	0.8
151.00377	1.1
151.03999	3.4
153.01868	0.7
159.04497	2.5
161.02414	8.3
161.04514	0.6
161.06055	0.9
162.03201	2.1
163.03932	1.1
165.01982	1.0
165.05565	1.5
173.02429	1.1
175.03972	1.8
176.01155	1.2
177.01909	100.0
178.02252	3.0
179.03482	0.6
183.04587	0.7
185.06007	0.6
187.04015	4.4
188.04778	1.9
189.01898	18.1
189.05498	0.8
190.02658	5.6
191.03468	2.5
195.53818	0.5
201.01907	4.5
201.05531	1.0
203.03508	1.5
209.06058	1.6
211.03978	0.7
213.05486	0.7
216.00626	5.2
217.01378	18.0
218.02049	1.8
219.02963	3.4
222.01675	1.4
225.05612	0.7
227.03528	0.9
227.07095	2.2
229.05057	0.8
229.08717	1.9
231.02916	3.5
232.03381	0.5
235.07799	0.7
237.05437	0.9
241.05011	0.7
245.04587	0.8
251.03342	0.9
251.07138	1.4
253.04997	2.9
255.02948	1.6
255.06842	0.6
264.04279	1.1
266.73035	0.5
269.04514	1.0
269.08215	0.6
271.06070	4.3
272.06754	0.5
277.05069	0.6
279.06693	3.6
281.04510	8.4
282.01697	3.1
282.05072	1.3
283.02332	1.0
285.04013	1.4
286.04251	0.9
287.05569	8.1
289.07187	1.5
297.03986	10.1
297.07642	6.2
298.04620	1.1
298.07843	0.8
299.05566	5.0
305.04587	1.0
307.67575	0.6
308.03302	2.4
311.05490	1.1
323.05569	37.4
324.05911	2.3
327.05051	2.3
341.06604	77.7
342.06943	4.4
367.04520	4.7
371.08942	1.0
417.09894	1.8
433.09198	27.4
434.09479	3.1
435.10950	2.8
451.10284	47.7
452.10458	3.9
477.08368	3.7
479.09967	1.5
553.26288	1.4
589.12952	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	589.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90875	0.6
59.01360	2.3
59.75248	0.7
69.26254	0.7
69.69196	0.6
71.01363	1.9
71.63632	1.1
73.02925	1.0
80.54552	0.6
81.03434	0.9
83.05021	1.1
84.40228	0.6
85.02921	0.7
86.61643	0.7
87.00861	0.7
89.02438	1.5
89.03959	2.0
91.01894	0.9
93.03438	3.7
96.95996	6.5
99.90300	0.7
101.02451	1.9
109.02936	25.4
111.04502	8.6
117.03429	1.7
119.05014	1.5
121.02925	1.2
123.04539	4.0
125.02448	1.6
133.02950	11.8
135.04504	2.9
137.02435	1.4
145.02940	18.5
147.04517	1.6
149.02393	1.2
151.00436	0.9
151.04004	2.9
159.04486	2.0
161.02428	4.6
163.03941	1.3
171.10240	2.6
173.02364	1.0
175.03938	0.8
176.01085	1.9
177.01901	100.0
178.02237	3.1
187.03981	3.5
189.01897	38.1
190.02666	3.3
191.03514	6.2
199.03839	0.7
199.93352	0.7
201.01935	6.4
203.03508	2.6
211.04129	0.7
216.00613	4.8
217.01373	49.0
218.01839	2.3
219.02879	4.7
231.02858	3.6
237.05421	0.9
239.07207	1.4
245.00681	0.9
249.05493	0.7
251.07143	0.7
253.05148	1.4
255.02948	7.3
258.01645	2.0
267.06467	0.9
269.04727	0.9
277.04773	0.9
281.04559	1.2
282.01584	2.4
285.04184	5.0
285.07300	1.2
287.05704	2.1
293.57324	0.6
297.04044	7.3
298.04675	2.5
299.05548	2.8
305.04501	2.5
308.03287	0.9
311.05603	5.0
321.03918	0.8
323.05545	73.6
324.05875	4.6
327.05075	15.9
329.06598	1.7
341.02414	1.6
341.06589	30.7
342.06982	2.3
345.05954	0.8
367.04446	4.2
391.08313	1.3
417.24640	0.8
417.53680	0.7
421.09186	2.5
433.09204	21.1
434.09921	4.2
435.05219	0.8
435.10577	3.8
439.10159	1.3
451.10294	23.6
452.10736	2.0
461.08630	1.3
477.08215	21.4
478.08710	1.7
553.13495	0.9
571.12469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
59.57261	0.5
61.98845	0.7
68.54993	0.5
71.01375	2.1
71.63297	0.5
83.04992	2.5
85.02967	1.1
89.02453	0.5
89.03499	0.5
89.03973	2.4
90.96493	0.4
91.01884	1.0
93.03450	2.7
96.95997	3.6
101.02426	0.9
108.02224	0.7
109.02940	25.8
111.04516	7.4
113.02431	0.8
116.92880	0.6
117.03451	2.0
119.05018	1.2
121.02912	1.2
123.04512	3.9
124.01583	0.5
125.02423	1.4
125.58766	0.5
133.02934	9.9
133.03862	0.8
135.00816	0.7
135.04494	4.2
137.02420	1.1
145.02936	17.7
146.03371	0.5
147.04506	1.0
149.02399	0.6
151.03998	2.3
159.04463	1.6
161.02428	3.1
161.06001	0.6
163.03973	1.1
171.10254	2.3
175.03923	0.6
176.01068	1.6
177.01909	100.0
178.02234	3.4
185.06058	0.6
187.03928	2.6
188.04283	0.6
189.01910	36.8
190.02586	3.5
191.03444	6.2
201.01921	5.9
203.03329	2.6
211.04083	0.7
216.00554	4.5
217.01387	43.2
218.01830	2.4
219.02971	4.3
226.02594	0.5
227.03441	0.7
231.02931	3.8
233.06194	0.7
235.07564	1.0
245.04520	0.5
249.05392	0.6
253.04985	1.0
255.02968	7.7
257.04462	0.8
258.01627	2.0
267.06561	1.5
269.04453	1.2
269.49973	0.6
271.05856	0.8
277.04849	0.7
278.05823	0.8
279.06558	1.0
281.04495	1.9
282.01733	1.4
283.06100	1.8
285.03979	3.4
285.07339	1.1
286.04636	0.6
287.05569	2.2
289.07077	0.6
295.06046	0.7
297.04041	7.7
297.07208	1.1
298.04813	1.9
299.05560	2.4
305.04584	1.5
308.03238	1.8
309.03918	0.8
311.02328	0.9
311.05515	5.9
322.04462	0.5
323.05557	70.0
324.05981	4.7
325.07257	1.3
327.01276	1.1
327.05029	13.4
328.05396	0.7
329.06546	1.4
341.06607	30.6
342.07010	1.5
355.04144	0.6
367.04575	4.1
391.08069	0.8
417.10666	0.5
421.09219	2.2
433.09210	20.8
434.09698	2.5
435.10745	2.4
439.10239	1.6
451.10266	23.6
452.10641	2.5
461.08780	0.9
477.08188	19.9
478.08505	1.9
505.07584	0.8
534.01361	0.5
571.12506	1.2
589.13263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76658	0.8
52.82643	0.7
57.03439	4.5
59.01376	14.5
61.98831	7.6
65.00316	1.1
65.03952	0.9
65.42623	0.8
69.27346	6.5
71.01373	1.6
81.03437	5.4
83.01392	3.9
83.05019	29.3
83.05520	1.5
85.02994	1.0
93.03438	5.7
96.95987	3.4
101.02407	1.1
107.01352	1.0
109.02940	14.8
111.04508	17.4
113.02412	0.9
115.48700	0.8
121.02943	100.0
122.03290	3.0
123.04509	15.5
123.05353	1.4
125.02433	31.9
126.02802	0.8
135.04478	3.0
137.02422	21.1
138.02710	1.1
145.02968	1.0
149.02470	1.1
150.03258	1.0
151.00398	4.5
155.03493	20.3
155.04724	1.5
155.10861	0.9
156.03775	0.9
161.02431	1.3
165.05591	0.9
196.06841	0.7
253.21748	1.7
255.19803	1.3
279.19681	1.8
284.03210	1.4
285.04001	4.5
287.05685	2.7
297.20624	1.4
321.20596	1.5
365.19702	2.0
405.11823	14.3
406.12204	1.1
411.23642	5.1
422.26550	0.8
425.21729	20.6
426.22119	1.7
449.10602	0.8
469.03500	0.9
514.79510	0.7
527.15527	12.8
528.16113	1.7
549.16064	1.5
587.17865	2.6
587.27362	13.7
588.28149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76658	0.8
52.82643	0.7
57.03439	4.5
59.01376	14.5
61.98831	7.6
65.00316	1.1
65.03952	0.9
65.42623	0.8
69.27346	6.5
71.01373	1.6
81.03437	5.4
83.01392	3.9
83.05019	29.3
83.05520	1.5
85.02994	1.0
93.03438	5.7
96.95987	3.4
101.02407	1.1
107.01352	1.0
109.02940	14.8
111.04508	17.4
113.02412	0.9
115.48700	0.8
121.02943	100.0
122.03290	3.0
123.04509	15.5
123.05353	1.4
125.02433	31.9
126.02802	0.8
135.04478	3.0
137.02422	21.1
138.02710	1.1
145.02968	1.0
149.02470	1.1
150.03258	1.0
151.00398	4.5
155.03493	20.3
155.04724	1.5
155.10861	0.9
156.03775	0.9
161.02431	1.3
165.05591	0.9
196.06841	0.7
253.21748	1.7
255.19803	1.3
279.19681	1.8
284.03210	1.4
285.04001	4.5
287.05685	2.7
297.20624	1.4
321.20596	1.5
365.19702	2.0
405.11823	14.3
406.12204	1.1
411.23642	5.1
422.26550	0.8
425.21729	20.6
426.22119	1.7
449.10602	0.8
469.03500	0.9
514.79510	0.7
527.15527	12.8
528.16113	1.7
549.16064	1.5
587.17865	2.6
587.27362	13.7
588.28149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44715	0.6
57.03415	0.6
59.01377	15.2
60.76488	0.7
61.98825	6.2
71.01374	10.7
72.99286	0.8
73.02930	1.6
78.11687	0.6
80.96515	0.8
81.03432	1.2
83.01375	0.9
83.05008	1.2
85.02941	2.7
87.00876	0.7
88.98819	1.5
89.02449	6.2
93.03459	2.8
95.01357	0.8
96.95988	5.0
99.00865	1.4
101.02428	7.2
107.05018	0.9
109.02950	3.0
111.04521	1.5
113.02422	5.0
113.13859	0.6
117.03453	26.2
119.03528	2.5
119.05016	31.0
121.02941	3.4
122.03746	1.0
123.04514	2.2
125.02419	4.1
131.05054	0.7
132.05769	1.6
133.02936	1.4
133.06578	11.7
135.04570	1.5
136.05334	0.7
137.02409	1.6
139.07642	2.5
145.02939	100.0
146.03307	2.3
149.06058	1.1
151.00322	1.1
153.01874	0.9
155.03496	0.8
159.04572	0.7
161.02457	2.7
161.04694	1.3
161.06062	14.5
162.03148	1.2
163.03995	33.5
163.11362	0.6
164.04431	1.2
165.01903	1.0
165.05539	0.9
167.03444	0.7
173.11745	1.6
174.83084	0.6
175.03967	1.3
177.01952	0.8
177.05548	6.1
179.03470	1.0
179.07080	0.8
187.03876	0.8
187.11365	0.7
205.05026	13.5
205.12329	1.7
217.05127	0.7
217.12306	1.4
221.65102	0.7
235.06039	5.4
235.13298	0.9
265.07132	10.5
269.10040	0.8
280.88138	0.7
284.03256	1.8
285.04065	5.9
307.08096	1.1
317.16074	1.3
325.09326	2.3
330.13235	2.5
331.13968	1.7
335.17120	2.3
397.18616	3.2
425.21561	1.5
429.05960	1.0
441.17603	26.3
442.17996	1.5
476.16855	9.6
477.17584	25.1
478.18112	2.6
543.22168	13.5
544.22748	1.1
587.21338	49.6
588.21674	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	587.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	31.5
61.98825	44.7
69.03422	2.6
71.01374	15.7
71.62733	4.0
72.99294	3.5
73.02949	3.0
73.20684	2.9
80.96462	2.5
81.03462	5.0
83.04535	3.6
83.05009	30.1
85.02910	4.6
87.00912	2.4
89.02434	12.6
92.52659	2.5
93.03449	8.3
96.96001	9.8
101.02415	7.6
109.02958	19.5
111.04515	19.2
113.02415	3.0
121.02943	100.0
123.04529	19.7
125.02486	5.2
137.02409	22.1
145.02980	6.7
149.04536	4.2
155.03490	21.3
161.02455	4.9
171.10294	3.2
191.05553	3.6
197.11739	2.9
233.15443	22.3
255.40250	2.4
293.08838	12.9
336.61053	2.5
405.11880	12.5
487.32324	2.7
527.15820	11.3
527.28412	5.9
575.84454	2.8
587.31116	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	587.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.4
59.01381	15.4
61.98826	9.2
62.23616	1.4
69.55484	1.2
69.55862	9.0
69.75169	1.2
81.03458	7.0
83.01381	3.2
83.05015	25.5
88.98752	1.4
93.03465	7.3
96.96010	3.6
101.68861	1.5
109.02945	14.0
111.04507	18.1
121.02944	100.0
121.19807	1.2
122.03239	2.8
123.04504	16.8
125.02430	28.3
135.04478	5.5
137.02431	23.5
150.03299	1.3
151.00346	7.2
155.03490	19.8
161.02452	2.7
165.05539	1.7
179.03383	1.4
192.82649	1.2
261.91156	1.3
279.19604	1.9
285.04037	7.6
287.05533	2.2
297.20819	1.7
356.42001	1.3
365.19696	3.4
378.74307	1.4
405.11838	16.1
406.11642	1.3
411.23660	6.3
425.21729	17.7
449.10355	1.5
527.15527	12.6
528.16260	1.3
549.15967	2.8
587.17645	3.7
587.27283	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	585.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39825	0.5
56.41829	0.5
59.01375	4.4
61.98822	8.8
63.81552	0.5
70.55983	1.5
71.01369	1.2
71.05003	1.0
74.99074	0.5
78.48421	0.5
81.03440	0.8
83.01380	1.9
85.02947	0.7
93.03455	2.3
93.04006	0.5
95.01360	0.6
95.05003	0.9
96.95986	2.7
97.02948	2.1
101.02446	1.1
105.03413	0.7
107.05067	0.7
108.02168	0.8
109.02944	21.9
117.03444	0.6
119.05035	0.5
121.02904	3.6
122.03767	2.5
123.00800	0.8
123.04510	12.4
125.02469	1.0
133.02910	1.5
134.03734	0.6
135.04532	2.8
137.02431	14.6
139.03992	9.6
145.02943	1.6
147.04503	2.1
149.02419	16.9
150.03209	13.0
151.00410	0.5
151.03993	13.9
156.20169	0.4
159.04471	1.3
161.02411	6.3
161.06030	1.2
162.03154	0.7
163.03961	4.6
164.01192	0.6
164.04724	1.1
165.05551	13.7
173.06017	0.6
175.04028	1.0
176.01144	2.9
177.01906	6.9
177.05594	1.0
178.02719	3.2
178.06317	2.3
179.03493	2.6
179.07085	0.9
180.04222	1.1
185.02184	1.0
191.03514	8.0
191.05394	0.7
192.04213	1.8
193.04955	0.6
193.08612	2.2
195.04799	0.6
195.06599	10.3
197.06013	1.7
203.03395	0.6
205.05057	2.4
213.05545	5.1
215.07094	31.4
216.07475	1.8
217.01373	1.2
233.08118	1.0
239.07277	0.8
255.06686	1.1
257.08157	5.7
259.13184	1.1
271.13354	1.0
283.06024	1.7
299.12701	2.3
301.07123	31.9
302.07443	1.6
343.11838	1.6
379.19144	1.1
423.18069	100.0
424.18439	7.2
537.21075	1.5
585.23370	9.1
586.23376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.7
59.01372	5.6
59.78606	0.9
60.99285	0.9
61.98836	2.8
68.09748	1.0
69.47676	5.9
71.01376	2.8
72.99377	0.9
73.02957	1.9
85.02962	2.2
87.00876	1.9
88.98804	3.8
89.02463	1.1
91.01897	1.0
93.03451	7.8
95.01389	1.7
96.95996	13.3
98.95593	1.3
101.02447	1.7
107.01450	1.1
108.02166	4.3
109.02945	6.9
113.02436	1.1
117.03454	1.5
119.05014	2.1
121.02953	8.3
122.03736	13.1
123.04513	6.0
124.01658	1.6
125.02413	8.1
132.02130	2.2
133.02922	13.2
134.03746	1.8
135.04510	8.8
136.01642	1.7
137.02425	2.6
145.02954	7.0
147.04494	1.1
148.44627	0.9
149.02425	37.3
149.06207	1.0
150.03209	100.0
151.00392	1.2
151.03770	2.4
151.64978	1.0
152.01154	3.7
153.01921	4.8
161.02426	42.9
162.02823	1.2
163.03961	2.2
164.04721	5.7
165.05548	91.6
166.05891	4.1
167.06145	1.1
174.03156	1.2
175.03973	1.9
177.05531	1.1
179.03491	5.9
180.04233	6.4
181.05092	1.7
188.04727	0.9
189.05557	1.5
191.05374	1.1
195.02950	9.8
195.06598	59.6
196.06900	2.4
203.07123	1.1
211.07640	2.1
217.05032	2.6
221.08212	1.0
255.05026	10.6
259.06204	1.8
269.13840	1.4
283.06055	4.0
285.03952	3.3
285.07248	1.4
297.07678	4.2
299.09091	2.0
309.11197	1.6
313.07065	2.2
314.07938	4.6
328.09460	15.4
329.10248	23.3
330.10855	1.8
335.13956	1.7
343.07675	1.8
343.11801	29.0
344.12195	2.2
359.11121	9.4
374.13647	19.0
375.13947	2.2
387.23434	1.3
388.15253	1.6
389.15997	78.5
390.16360	6.4
423.16498	23.9
424.16974	1.5
477.15021	1.3
491.17508	1.5
497.18915	1.5
537.21185	76.8
538.21631	5.5
567.11755	1.4
585.12286	7.9
585.22009	31.5
586.22552	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	585.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01377	5.3
60.05441	1.1
61.98826	10.7
70.30549	4.1
70.30929	1.8
71.01393	2.6
83.01359	1.7
83.05014	2.8
88.98788	2.3
89.02445	1.3
91.05540	1.4
93.03443	6.5
95.04980	1.1
96.95999	10.6
101.10316	1.2
105.03437	1.7
107.01373	1.2
108.02190	1.3
109.02966	2.8
111.04533	4.4
112.32934	1.0
117.03449	3.0
119.04970	1.5
120.99598	2.7
121.02924	8.8
122.03735	11.8
123.00878	2.0
123.04542	4.1
125.02422	9.8
132.02180	2.9
133.02966	7.2
134.03728	3.3
135.04527	3.4
136.01653	2.7
137.02431	4.7
145.02940	5.6
146.03726	2.7
147.04495	11.7
149.02434	29.6
149.06055	3.9
149.99513	2.2
150.03210	100.0
151.00327	4.6
151.04047	6.4
155.03493	2.3
158.03716	3.9
159.04472	7.1
160.05266	16.5
161.02406	9.2
161.06082	8.4
162.03189	1.8
163.00317	1.7
163.04013	4.8
164.04778	14.8
165.05547	91.7
166.05939	3.4
167.03473	2.2
168.00603	3.6
171.10269	1.7
173.06046	4.9
175.04080	2.5
175.07599	17.1
176.04791	6.0
177.01912	2.5
177.05573	10.8
178.06313	4.1
179.03508	2.1
179.07127	7.6
180.04279	6.9
181.05034	1.5
187.95842	1.5
191.07211	2.3
195.06595	65.5
196.06926	1.6
229.08589	1.4
251.12970	1.3
271.05905	1.5
285.04089	1.7
308.03131	2.0
320.74872	1.4
323.07629	7.1
327.12289	1.3
337.07074	2.4
344.12589	1.7
345.13248	1.9
357.13406	2.0
359.14963	54.3
360.15234	4.1
371.15027	1.5
381.09732	6.6
422.06363	1.3
423.20050	4.7
477.19141	3.7
507.20142	69.1
508.20435	5.8
519.20465	2.5
537.21204	5.4
555.22260	18.7
556.22327	3.4
585.16083	20.9
585.24310	2.4
586.16296	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	585.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38201	0.3
59.01378	1.3
61.98824	13.6
69.44131	2.7
71.01380	1.0
81.03437	0.4
83.05031	0.7
85.02951	0.9
87.00848	0.3
88.98810	0.6
89.02428	0.4
93.03441	4.1
96.95988	2.4
101.02453	0.7
105.03461	0.6
107.04979	0.3
109.02961	1.0
111.04453	0.4
113.02431	0.3
117.03412	0.4
121.02952	5.4
122.03734	12.8
124.01688	0.5
125.02442	1.9
133.02936	1.6
134.03769	0.7
135.04535	1.3
136.01657	1.0
137.02400	1.8
145.02937	1.2
147.04533	0.6
149.01234	0.8
149.02426	16.1
149.06165	0.4
150.03209	84.5
151.03607	2.3
155.03555	0.4
161.02449	1.7
162.03168	0.6
162.11208	0.4
163.04007	1.4
164.04779	3.3
165.05548	100.0
166.05896	3.4
167.03409	0.5
174.03241	0.6
175.03989	2.7
176.04695	1.1
177.01906	0.5
177.05582	0.6
179.03386	0.8
180.04259	7.7
181.04839	0.5
188.04779	0.6
189.05588	1.4
190.06319	3.7
191.05577	6.0
191.07140	2.2
193.05026	1.5
194.05815	1.1
195.06599	83.9
196.06914	2.5
205.08623	2.7
207.06615	1.2
208.07396	2.7
209.07959	0.6
209.11702	0.5
222.08907	0.5
223.09567	0.4
227.03423	1.4
275.40643	0.4
283.13437	0.6
344.12424	0.5
345.13232	0.7
359.14957	23.4
360.15179	1.7
423.20450	0.5
480.17328	0.4
537.21210	4.4
538.21082	0.6
576.22424	0.4
585.15302	0.6
585.23163	4.3
585.73492	1.0
586.24347	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	585.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06208	0.4
61.98832	4.2
69.48070	2.7
71.50261	0.4
84.66565	0.5
93.03449	6.1
95.01384	0.7
95.05015	0.5
96.96001	1.2
98.19919	1.0
102.48102	0.5
105.03465	0.5
107.05046	0.7
108.02190	0.7
109.02950	4.0
116.65827	0.4
121.02943	13.4
122.03730	14.3
123.04584	1.1
124.01678	0.7
125.02470	0.9
132.02144	1.8
133.02945	3.8
134.03722	1.6
135.04520	5.3
136.01622	1.4
137.02441	2.3
145.02940	1.1
146.03761	0.9
147.04500	3.9
148.05206	0.5
149.02422	33.8
149.06076	2.7
150.03206	99.7
151.03554	2.9
152.04590	0.6
153.01883	0.5
161.02408	2.3
161.06096	0.8
162.03204	0.9
163.03979	5.4
164.04767	6.8
165.01898	2.1
165.05545	100.0
166.05862	3.0
173.02365	0.7
174.03195	1.1
175.03976	7.2
176.04747	2.4
177.01967	0.5
177.05544	2.8
179.03468	1.4
179.07014	2.1
180.04254	11.1
181.04951	0.8
188.04774	2.0
189.05533	2.6
190.06331	9.1
191.07117	7.1
192.07445	0.5
193.05016	3.9
194.05789	6.2
195.06595	54.6
196.06926	1.8
203.07182	1.2
205.08652	9.1
207.06635	4.7
208.07382	7.0
209.08160	1.2
222.08914	2.3
223.09683	0.6
225.07669	1.1
285.04089	0.9
297.11172	1.2
298.12091	0.9
299.09457	0.8
315.08792	0.5
344.12677	1.7
345.13455	3.4
346.13223	0.6
353.13937	0.6
356.32651	0.5
357.13443	2.5
358.14304	1.4
359.14941	48.1
360.15115	3.7
375.14386	1.1
388.15378	1.0
389.15955	1.9
507.20200	3.6
509.22464	0.5
522.18640	0.7
537.21222	67.9
538.21558	8.4
549.28949	0.6
585.15198	0.5
585.23157	6.8
586.24005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01382	0.5
68.59174	0.4
70.20386	0.7
70.20772	1.1
71.01385	1.9
83.01371	0.5
85.02956	1.1
93.03450	43.3
94.03793	1.0
96.96004	8.5
96.96969	0.4
101.02429	0.8
109.02913	0.4
113.02444	0.4
120.99609	0.4
123.04490	0.6
125.01606	0.6
125.02438	7.1
126.02817	0.6
137.02438	100.0
138.02739	2.1
149.02400	0.6
151.04070	0.7
161.02370	0.4
161.04539	0.6
167.03452	0.8
177.01900	0.6
179.03519	0.8
208.99113	0.5
239.05623	0.8
289.07178	0.7
299.07697	16.1
300.08215	0.5
309.44986	0.4
387.09341	1.6
389.17810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
57.16129	0.8
57.25854	0.8
59.01369	2.3
60.99296	0.7
61.98822	8.5
69.03431	1.1
71.01378	4.0
71.62973	0.9
73.02931	0.8
74.99100	2.3
81.03445	7.8
83.01386	1.3
83.05016	47.6
85.02962	1.4
88.98781	2.7
89.02470	1.3
93.03445	15.5
96.95992	2.4
101.02449	1.7
105.03484	1.0
107.05030	0.8
108.02175	1.5
109.02940	8.3
111.04506	31.8
113.02464	1.7
117.03471	1.7
120.99678	0.7
121.02953	6.9
122.03706	4.0
123.04525	9.2
125.02433	5.2
132.02162	1.9
133.02942	37.4
134.03723	2.1
135.04507	22.7
136.01633	0.8
137.02426	8.3
139.03995	0.8
145.02884	1.9
146.03700	1.1
147.04459	1.3
149.02423	6.8
149.06105	1.6
150.03206	31.6
151.00304	0.6
151.03813	0.9
153.01950	0.9
155.03482	19.1
155.04710	1.3
156.03818	0.8
159.04503	1.3
160.01515	0.6
160.05345	2.0
161.02426	100.0
162.02757	3.5
163.04012	0.9
164.04768	3.2
165.01830	1.1
165.05540	37.1
166.05916	1.9
167.03488	5.1
173.02393	1.2
175.04025	1.3
175.07608	1.5
177.01869	1.5
177.05516	5.0
178.02704	0.7
179.03481	17.2
179.07063	3.0
180.04173	2.9
189.01929	0.7
194.05711	0.8
195.06602	27.6
196.06934	2.3
203.03482	1.0
205.08775	1.2
209.08160	1.3
220.03764	0.8
221.04562	3.7
263.05692	0.8
267.06607	4.0
280.05902	1.5
285.03964	0.9
299.09592	1.6
303.05032	1.0
323.07654	53.9
324.08090	1.8
341.06717	1.0
357.13516	0.7
359.14890	9.2
385.12918	4.6
423.12943	10.0
423.19098	0.8
429.11792	6.2
447.12854	33.4
448.13263	2.3
463.23340	1.2
479.12213	1.1
507.20108	2.1
537.20996	3.7
541.17114	1.5
555.22546	1.5
567.15021	1.3
585.15881	15.9
585.24091	1.3
586.16107	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1243
Annotation	CHEBI:73787
Peak:m/z	Relative Intensity
57.03181	1.2
57.03442	18.2
59.01355	3.5
61.98819	12.7
71.01355	2.5
71.62798	1.2
73.02937	1.5
79.43026	0.8
81.03412	1.7
83.01372	8.9
85.02924	1.6
89.02399	1.4
92.10941	1.0
93.03433	2.6
95.01365	3.2
96.96002	5.2
101.02410	1.9
107.01374	7.5
109.02967	8.0
111.00864	1.5
111.04433	1.5
113.02451	1.0
117.03394	0.9
119.04996	1.6
121.02938	12.7
123.00870	5.9
123.04316	1.0
124.01646	6.6
125.02438	84.3
126.02740	2.0
133.02887	1.1
135.00859	1.1
135.04509	4.4
137.02444	15.8
138.03232	1.0
139.00349	1.0
139.04033	5.5
145.02968	4.4
149.02394	3.2
150.03157	1.2
151.00374	31.3
151.03903	1.2
152.01161	6.9
153.01932	17.2
155.03450	4.1
159.04445	2.6
161.02365	3.9
161.06027	1.0
163.00334	2.6
163.03918	2.9
164.01060	1.5
165.01917	19.2
165.05467	2.7
166.02618	2.2
167.02318	1.2
167.03499	14.9
168.03732	1.2
169.01411	2.5
171.04642	1.1
171.10300	1.2
175.00323	6.3
175.03883	2.1
176.00955	1.6
177.01811	4.3
177.05525	1.0
178.99841	32.3
181.01389	2.0
183.04436	2.5
185.02394	1.3
185.05957	1.2
187.03943	3.9
189.01884	3.2
189.05576	1.4
190.02594	1.9
190.99907	1.2
191.03421	12.0
191.05435	1.9
192.00580	2.9
193.01393	100.0
194.01660	2.5
195.06630	1.5
199.03938	1.1
201.05499	1.2
203.03452	1.1
204.04089	1.2
205.05011	4.5
207.02954	1.1
207.06517	0.9
211.04004	2.1
213.01805	1.3
214.02687	2.0
215.03516	4.5
217.05006	1.3
227.03416	4.3
229.05006	3.1
231.02925	1.9
232.03674	2.3
233.04558	7.3
235.02400	1.2
239.03391	3.3
243.02928	1.2
255.02937	13.1
256.03540	2.8
257.04453	6.1
258.01163	1.1
258.26770	0.9
275.05576	9.3
283.02457	40.6
284.02673	1.9
285.03989	2.9
300.02637	3.0
301.03473	11.5
319.04443	3.1
387.24036	1.2
406.17929	1.1
415.80939	1.0
431.10007	1.4
433.11179	1.9
441.08173	2.1
457.11377	1.6
459.09277	33.3
460.09518	2.8
499.12027	1.1
523.12122	1.3
541.13062	4.4
549.22949	2.2
557.12866	5.8
567.02289	1.6
567.11353	57.2
568.12085	5.7
585.12286	61.9
586.12518	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	583.315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76014	0.3
55.08103	0.4
59.01362	0.9
63.36461	0.4
63.96220	1.1
69.03435	0.5
70.67983	0.8
70.68324	0.6
71.01373	5.1
73.02932	1.5
78.98580	5.9
79.95725	8.0
80.96509	57.7
81.03450	0.6
85.02950	2.8
87.00864	3.0
94.98077	13.8
96.95988	0.6
97.02944	1.5
99.00885	0.9
101.02461	1.9
106.98064	3.1
107.30161	0.4
122.97556	2.3
125.02431	2.5
127.03963	0.9
134.97583	4.4
136.99120	1.2
148.99109	4.9
152.98601	5.1
164.98608	10.7
179.00189	0.4
206.99715	2.0
225.00706	14.2
267.43283	0.5
283.26532	1.9
299.04480	3.4
439.41702	0.5
583.31476	100.0
584.23035	0.7
584.31897	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29532	0.3
59.01350	0.4
61.98824	18.1
69.34543	0.8
69.34954	2.3
71.37106	0.4
72.91585	0.3
72.99308	0.6
73.02941	0.4
98.19849	0.8
139.72395	0.4
180.07779	0.3
208.26276	0.4
211.80923	0.4
214.45493	0.4
233.19064	0.8
238.55710	0.3
265.35779	0.4
305.22787	0.3
336.94772	0.4
355.29901	1.1
356.30334	0.5
367.29861	0.9
369.31793	0.8
409.31015	0.8
413.34305	0.8
429.33701	1.0
457.32687	0.5
459.34625	5.5
460.35114	0.6
475.34207	17.1
476.34698	1.7
477.35782	0.9
503.33728	11.4
504.33975	1.4
521.34760	100.0
522.35083	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	583.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01374	6.8
61.43486	0.6
61.98825	33.6
65.39569	0.7
69.76628	1.6
69.77054	2.6
71.01376	2.6
72.99293	1.6
73.02927	1.0
78.62077	0.7
79.95723	1.3
81.03442	0.9
83.01358	1.0
85.02935	1.8
88.98795	3.2
89.02434	1.8
91.85508	0.7
93.03457	4.1
95.01402	1.1
96.96006	24.6
98.19876	1.5
101.02438	2.3
109.02962	1.3
113.02465	1.7
117.03464	1.4
119.05002	2.5
120.99651	1.1
121.02937	10.2
122.03777	12.6
123.00894	1.3
123.04513	3.6
124.01652	1.5
125.02434	9.9
133.02940	2.2
134.03711	2.2
135.04497	2.1
136.01668	1.9
137.02458	6.2
137.06047	0.9
138.03244	0.6
142.49133	0.8
143.03329	0.9
145.02914	6.2
146.03271	0.9
149.02434	19.1
149.06065	2.7
150.03210	90.2
151.00356	1.2
151.03784	2.5
159.04536	0.9
160.01747	0.7
161.02452	2.4
161.04535	0.6
161.05957	0.9
163.04005	3.1
164.04774	2.7
165.01913	3.8
165.05551	100.0
166.05862	2.6
167.03459	7.2
168.03850	0.7
169.01328	1.1
177.01877	0.9
177.05560	1.7
179.03491	2.1
180.04216	8.2
181.05040	1.5
183.10168	1.2
191.03624	0.7
191.05493	0.8
193.01329	0.9
195.06606	72.6
196.06961	2.6
197.11864	0.8
208.03835	0.8
219.71674	0.7
225.70065	0.7
229.05154	1.6
241.60478	0.7
256.03662	0.9
267.06671	1.2
268.07364	1.8
274.04880	2.3
280.07404	1.2
283.09802	1.6
284.06754	0.9
293.08044	0.9
295.06223	1.2
296.06714	0.9
308.07004	1.3
309.07703	1.7
311.09174	0.7
312.06470	1.6
313.10785	1.1
322.08627	1.5
323.09286	3.4
324.06396	1.0
324.09967	1.5
325.10831	1.3
327.08759	6.0
338.11627	1.2
339.08676	8.4
339.12445	2.1
340.08780	0.8
342.11023	3.8
343.11472	1.0
354.10889	3.7
357.13376	20.3
358.13821	1.8
369.13370	23.1
370.13583	1.9
385.12802	8.7
386.13287	1.0
419.09769	1.3
421.18515	2.0
437.10788	6.3
475.10718	1.5
501.45813	0.8
505.18695	1.2
517.18384	1.9
523.34644	1.2
535.19598	4.6
553.20532	0.9
565.22052	2.4
583.14252	8.1
583.23370	4.0
583.30432	0.9
584.23535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39313	0.7
57.03436	2.1
57.77330	0.7
59.01369	1.9
61.98822	11.0
65.00325	1.3
67.15196	0.7
69.30643	3.0
69.31078	4.4
73.02940	0.8
79.77036	0.8
79.95724	1.3
83.01379	1.7
88.98793	5.7
91.48032	0.8
93.03455	4.8
96.96004	15.1
101.02428	1.1
107.01369	1.2
108.02084	1.0
109.02951	1.6
119.04964	1.2
121.02939	7.8
122.03746	14.5
123.04532	1.9
124.01696	1.1
125.02433	23.5
125.03181	0.9
133.02971	2.2
135.04549	2.9
136.01674	1.8
137.02423	3.1
139.04031	1.0
145.02945	2.6
146.03752	0.8
147.04424	1.2
149.02428	33.5
150.03214	94.6
151.00349	6.5
151.03780	3.3
152.01096	1.0
153.01918	4.4
159.04544	0.9
161.02443	2.1
163.03938	1.7
164.04788	7.0
165.01901	3.3
165.05553	100.0
166.05911	3.2
175.03993	3.0
177.01915	4.5
177.05525	2.3
178.99843	3.0
179.03525	1.8
180.04279	7.5
181.01410	2.9
181.31464	0.9
185.06018	0.9
189.05554	1.2
192.07970	0.8
195.06607	59.8
196.06929	2.4
199.03967	1.6
209.08165	1.4
214.77980	0.8
217.05048	2.4
222.05170	0.8
225.07652	1.2
240.04370	0.9
241.05031	1.0
259.06082	1.0
267.06564	0.9
268.07239	1.9
271.06058	1.7
275.05566	4.0
283.06339	1.0
283.09534	1.3
285.04041	11.7
291.06558	1.2
295.06189	0.9
296.06851	1.1
297.11331	1.7
299.05713	1.6
299.09100	1.4
303.05090	16.2
304.05276	0.9
307.09705	1.6
308.07071	1.0
308.10507	1.6
309.07584	1.8
311.09225	1.2
312.06277	2.0
313.10773	1.2
322.08096	1.0
323.09171	2.1
324.06387	1.0
324.09985	2.0
325.10703	3.4
326.11566	4.1
327.05295	1.2
327.08740	5.1
337.10806	1.0
338.11377	1.3
339.08655	9.0
339.12210	1.1
340.08951	1.0
341.13861	1.2
342.10953	5.1
343.11679	1.7
353.10059	0.8
354.11154	3.7
355.11417	1.1
357.13364	22.7
358.13696	1.9
369.13388	26.7
370.13748	1.4
383.09296	0.9
457.12534	1.1
459.09290	2.1
461.10507	1.0
472.15521	1.2
487.17584	1.7
505.18771	6.6
517.18835	1.3
535.19653	47.0
536.19916	6.0
553.20422	2.0
565.13171	1.5
583.14056	5.7
583.22321	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98601	0.8
56.32711	0.9
57.03439	1.4
58.71365	0.8
59.01371	3.9
60.99302	0.9
61.98514	1.5
61.98822	26.8
64.80463	1.2
64.86731	0.9
65.03928	1.0
66.56092	0.9
69.22551	0.9
71.01379	2.0
71.63018	1.4
79.54632	0.9
81.03452	1.0
83.01365	2.5
88.98816	7.2
88.99297	1.4
93.03435	6.3
95.01360	1.3
96.96002	11.8
101.02442	1.7
108.02142	1.2
109.02962	1.6
113.02412	1.9
117.03444	1.6
119.05015	2.2
121.02950	10.4
121.43852	0.9
122.03747	15.5
123.00941	1.1
123.04510	10.5
124.01613	1.5
125.02435	17.5
133.02934	1.9
134.03641	1.7
135.04486	3.2
136.01662	2.5
136.78912	0.9
137.02402	3.7
145.02954	5.4
147.04478	1.0
149.02420	29.8
149.06027	2.4
150.03207	95.4
151.00343	1.5
151.03714	2.2
159.04474	1.0
161.02420	2.0
163.03978	2.7
164.04770	6.7
165.01933	5.0
165.05550	100.0
166.02617	1.4
166.05858	3.5
167.03450	18.5
175.03941	1.5
176.04788	1.4
177.01944	2.2
177.05452	2.1
179.03433	3.7
180.04248	9.1
181.04973	0.9
187.03871	1.3
189.01930	3.3
191.03488	1.6
192.04279	1.1
195.06601	65.5
196.06917	2.1
205.08656	1.1
209.08119	2.1
217.01343	1.3
219.02950	2.0
225.05516	1.0
225.07626	1.6
268.07312	2.0
283.06232	1.4
283.09735	2.4
287.22430	1.4
287.38641	1.1
295.06033	2.6
297.11246	1.7
298.08325	1.7
307.06140	1.1
307.09595	1.9
308.07001	2.2
308.10349	2.6
309.07782	2.3
310.08359	1.9
312.06393	2.1
313.10800	3.6
321.07501	1.3
323.09064	4.0
323.12665	1.7
324.09946	2.7
325.10599	4.5
326.11591	4.9
327.08719	7.6
337.10822	1.2
339.08636	9.0
339.12396	2.3
340.08908	1.5
341.06781	5.0
341.13831	2.1
342.11008	6.5
343.11816	1.9
354.10825	4.7
357.09247	1.6
357.13400	25.0
358.13690	2.3
369.13324	27.5
370.13730	1.8
385.12949	20.2
386.13461	1.6
421.17941	1.9
437.11023	1.2
457.13208	1.4
461.16119	1.5
472.15253	1.5
487.17383	3.1
505.18738	12.5
506.19461	1.3
517.18628	3.3
523.35101	1.1
535.19666	51.6
536.20313	5.5
547.16803	1.7
553.20679	2.0
583.14136	2.4
583.20953	8.5
583.29242	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	583.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02855	0.4
59.01370	0.5
61.98827	3.6
68.94780	0.3
69.28638	0.3
69.28931	3.3
71.01363	0.4
71.79430	0.3
74.56882	0.3
85.02834	0.4
93.03447	3.4
95.01395	0.3
96.95954	0.3
97.02937	0.3
105.03505	0.5
108.02130	0.4
109.02933	1.1
111.04505	0.7
121.02937	6.5
122.03731	14.5
123.00873	0.5
123.04513	0.9
124.01627	0.6
125.02462	1.0
133.02943	1.1
134.03693	0.7
135.04535	0.8
136.01646	7.3
137.02415	1.0
139.03970	0.5
141.01909	0.3
143.93944	0.3
145.02904	0.4
147.04480	0.5
148.44934	0.3
149.02432	17.3
150.03206	90.5
151.00333	2.2
151.04007	8.1
156.36464	0.3
161.02419	0.5
163.04065	0.5
164.04738	3.7
165.05548	100.0
166.02704	4.8
166.05896	3.2
167.03462	0.9
175.03951	1.2
177.01939	0.5
179.03412	0.4
180.04266	6.9
181.05034	5.2
183.10233	0.4
189.05580	0.7
190.06314	0.8
191.03481	0.6
192.23271	0.4
195.06599	73.7
196.06967	2.6
205.05035	0.5
221.08090	0.7
227.18451	0.3
294.05707	0.5
297.07684	0.6
302.70093	0.3
309.07825	0.4
329.10178	0.4
342.10983	1.0
356.12750	0.4
357.09589	1.4
357.13385	7.8
358.13828	0.4
369.13525	0.5
372.12057	0.9
373.12567	0.4
381.00342	0.3
387.14444	15.4
388.14609	1.2
428.46643	0.4
434.50851	0.3
505.18405	0.6
506.17975	0.4
527.15692	0.4
535.19879	3.6
583.22058	1.3
584.21637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92843	0.5
52.70454	0.4
54.78962	0.5
59.01364	1.2
61.98828	3.2
69.39536	4.5
71.01373	1.0
79.29156	0.4
85.02963	0.5
87.04511	2.5
88.98763	0.8
93.03448	5.2
95.01408	0.9
96.95978	0.5
105.03454	0.6
108.02186	1.6
109.02943	1.5
111.04485	1.3
111.36999	0.5
121.02944	15.3
122.03745	17.9
123.00880	0.9
123.04541	2.1
124.01611	1.1
125.02446	2.1
128.45178	0.5
132.02148	1.0
133.02940	2.2
134.03717	1.5
135.04506	8.9
136.00720	0.4
136.01646	11.9
137.02455	3.7
145.02916	1.1
147.04506	1.5
149.02429	30.8
149.06052	1.1
150.03207	98.4
151.00374	2.8
151.04004	15.6
152.01125	1.0
153.01884	0.8
154.02744	0.8
160.05296	1.2
161.06064	1.1
163.04013	3.1
164.04752	6.0
165.05551	100.0
166.02705	9.2
166.05887	2.8
167.03481	3.6
172.05310	1.6
173.05989	0.7
174.03174	0.8
175.03955	4.0
175.64110	0.5
177.01936	0.7
177.05573	1.2
179.07135	0.5
180.04257	5.4
181.05040	9.9
189.02078	0.6
189.05539	3.9
190.06322	5.9
190.63867	0.6
191.03474	1.1
191.07008	1.0
195.06607	57.1
196.06956	1.5
205.05003	0.6
205.08650	1.5
207.06531	0.5
221.08092	1.0
282.05334	1.0
297.07663	0.8
309.07587	0.6
314.07849	0.5
315.08725	0.9
324.09933	0.5
325.10553	0.8
329.10266	3.2
341.10107	0.8
342.10941	1.3
355.11679	0.7
356.12585	2.0
357.09601	2.7
357.13358	10.8
358.13745	1.1
368.12433	0.6
372.12033	1.8
373.12775	2.1
386.13577	1.2
387.14435	33.5
388.14630	1.9
449.23395	0.5
474.63202	0.5
490.15945	1.0
505.18582	5.0
517.18951	1.1
535.19666	53.9
536.20020	5.9
547.18585	0.6
583.07928	0.6
583.21747	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	583.1665
Annotation	Henryoside
Peak:m/z	Relative Intensity
59.01362	1.4
60.17106	0.5
61.98831	4.9
70.92249	1.3
71.01370	2.2
85.02961	1.3
89.02421	1.2
93.03448	16.1
95.01364	2.3
96.96032	2.5
101.02434	0.6
101.88581	0.6
108.02168	24.0
109.02950	21.5
110.03250	0.7
119.05013	1.9
121.02943	39.4
122.03200	0.9
123.00884	1.0
123.04366	0.6
125.02428	2.4
135.04512	0.8
137.02429	0.7
149.99564	2.3
151.04004	1.3
152.01091	1.1
153.01917	1.9
163.04008	0.5
165.01892	1.6
174.50899	0.5
175.02454	1.0
177.01855	0.8
185.06110	2.7
195.06660	0.6
196.05205	0.8
197.06075	1.5
199.36679	0.5
213.05527	5.4
214.06323	33.9
215.07089	32.1
215.09222	1.1
216.07411	1.9
227.07010	1.2
257.04556	0.9
257.08014	1.2
258.05292	12.9
259.06073	10.4
269.08148	0.7
274.51172	0.6
313.05399	0.8
315.07327	1.4
359.11597	0.6
373.13263	0.7
375.13535	0.6
376.11615	0.9
377.12360	2.8
420.10596	19.1
421.11380	12.8
421.17450	1.8
422.11664	1.2
583.16577	100.0
584.16870	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	583.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.4
61.98835	3.9
62.41298	0.7
66.17276	0.7
67.30890	0.9
68.68662	0.8
68.99780	0.8
71.01360	2.9
71.62671	1.1
74.99065	1.1
75.77476	0.9
85.02940	2.3
92.80387	0.8
93.03449	15.9
93.16495	0.8
95.01366	2.6
96.01056	0.7
96.95992	2.9
101.02380	1.5
108.02161	19.9
109.02959	20.8
111.40777	0.8
115.00354	1.6
119.03444	1.0
119.04980	2.6
121.02949	36.2
122.03199	0.9
123.00864	1.0
123.04510	1.0
125.02424	3.3
133.02870	1.1
137.02443	1.0
143.12410	0.8
149.99593	4.3
151.00337	2.5
151.03882	1.0
152.01089	1.8
153.01958	1.5
165.01895	2.8
167.03467	0.9
169.01407	1.1
175.02429	2.4
185.06023	2.6
193.01176	0.9
213.05530	4.4
214.04216	0.9
214.06335	26.6
215.07095	34.4
216.07388	1.0
227.07054	1.3
242.95323	0.8
243.28638	0.8
254.37943	0.8
258.05273	11.6
259.06061	9.8
313.05743	1.8
315.07196	1.6
360.11209	1.0
377.12305	3.2
420.10611	18.7
421.11285	19.4
421.17273	2.1
429.78293	1.0
435.65088	0.9
583.16583	100.0
584.16846	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	583.166
Annotation	Henryoside
Peak:m/z	Relative Intensity
53.40685	0.3
69.55540	2.1
88.70596	0.3
93.03479	0.4
96.96018	0.6
98.20596	0.4
105.46877	0.3
108.02168	6.6
109.02942	100.0
110.03283	1.9
121.02931	0.6
125.02459	0.7
145.74637	0.3
151.03941	0.7
152.01187	0.3
153.01926	12.3
154.02299	0.3
185.06027	0.3
205.80878	0.3
212.04863	0.5
213.05553	6.5
214.06184	0.8
215.07101	14.6
216.07500	0.6
229.05026	0.5
257.04623	1.7
258.05231	2.2
259.06064	20.9
260.06412	0.8
287.05685	0.4
315.07266	1.0
420.10721	1.4
421.11374	22.2
422.11786	1.9
583.16589	72.0
584.16882	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	582.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42099	2.1
61.98826	79.2
71.62954	1.8
75.38279	1.9
79.78313	1.8
82.96094	6.2
106.45103	2.1
125.02335	2.5
140.97491	1.9
194.21246	1.6
208.53961	1.9
248.14543	2.1
349.37921	1.9
401.30472	3.0
473.32446	6.0
513.40765	2.2
519.33203	100.0
520.33789	7.2
582.27350	14.3
582.36377	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	45.7
60.07394	3.8
61.98821	100.0
69.54259	6.2
69.54648	26.9
71.01379	17.6
72.99328	5.9
83.01394	4.6
85.02976	5.9
93.03477	5.2
95.05043	6.2
96.96010	30.6
101.02425	5.2
109.02965	48.4
111.51913	4.0
113.02486	5.5
117.03465	9.6
119.03529	6.6
119.04940	4.4
123.04498	11.0
125.02461	5.2
135.04524	8.9
137.02440	6.6
145.02954	37.6
146.03392	3.7
147.04494	5.5
151.00336	5.9
157.05083	7.0
161.02390	12.2
161.04495	5.3
167.03473	8.8
171.10216	5.4
183.10294	7.5
191.05545	7.8
233.08134	5.6
253.09137	6.3
285.03943	6.9
309.20667	9.6
327.21921	4.4
403.48376	4.3
441.18942	5.9
514.90839	4.3
528.10736	4.0
545.27869	9.7
563.21698	7.6
581.28253	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	81.7
61.98819	100.0
65.72345	10.0
67.51121	9.3
71.01382	39.7
71.62679	9.4
72.99290	11.9
73.02947	16.7
74.27656	9.4
75.00860	14.8
77.65095	8.5
82.95422	11.5
83.05042	21.8
85.02937	17.3
93.03424	13.4
96.96001	36.0
100.55623	10.9
101.02451	15.2
109.02917	16.8
116.93008	10.4
117.03495	18.6
119.08652	15.1
121.02958	24.9
123.04575	22.8
133.02925	12.9
137.02435	20.6
137.09735	12.7
145.02966	68.2
155.03421	9.7
160.01683	15.0
163.03966	17.8
163.07530	12.2
165.01942	12.4
175.04027	10.0
181.08659	44.8
183.10248	30.4
236.30565	8.9
253.09312	17.4
259.01221	12.5
272.57132	9.8
285.03967	10.4
309.20691	32.4
315.06287	10.7
359.22287	52.0
366.66290	12.0
419.24420	23.5
521.27301	16.6
545.27625	28.6
581.26978	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	45.7
60.07394	3.8
61.98821	100.0
69.54259	6.2
69.54648	26.9
71.01379	17.6
72.99328	5.9
83.01394	4.6
85.02976	5.9
93.03477	5.2
95.05043	6.2
96.96010	30.6
101.02425	5.2
109.02965	48.4
111.51913	4.0
113.02486	5.5
117.03465	9.6
119.03529	6.6
119.04940	4.4
123.04498	11.0
125.02461	5.2
135.04524	8.9
137.02440	6.6
145.02954	37.6
146.03392	3.7
147.04494	5.5
151.00336	5.9
157.05083	7.0
161.02390	12.2
161.04495	5.3
167.03473	8.8
171.10216	5.4
183.10294	7.5
191.05545	7.8
233.08134	5.6
253.09137	6.3
285.03943	6.9
309.20667	9.6
327.21921	4.4
403.48376	4.3
441.18942	5.9
514.90839	4.3
528.10736	4.0
545.27869	9.7
563.21698	7.6
581.28253	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47779	1.0
54.15367	0.9
55.01873	1.4
57.03426	1.7
58.00581	3.8
59.01373	100.0
61.98821	1.0
69.44249	2.8
69.44682	5.3
71.01377	61.2
72.99296	6.0
73.02943	1.8
79.33512	0.8
83.01373	3.1
85.02937	13.0
87.00874	4.6
89.02435	77.4
90.73177	1.0
93.03452	1.4
95.01382	4.6
96.95995	2.2
98.20596	1.4
101.02432	35.7
113.02438	25.9
116.92860	1.0
119.03489	39.2
120.03838	1.4
120.99635	1.4
125.02452	1.8
129.01964	1.1
131.03499	4.5
133.01404	1.8
134.03807	0.9
136.01651	1.2
137.02409	2.8
138.03221	2.1
143.03474	7.6
148.29684	1.0
149.02394	1.4
149.04524	3.4
151.03987	3.1
152.04752	1.5
153.05525	1.9
154.33752	0.8
161.04543	6.5
174.03242	1.1
175.03969	5.9
176.04736	1.2
177.05537	3.1
179.05580	17.7
179.07010	0.8
187.03958	6.4
188.04701	2.1
189.05501	1.7
190.06317	3.2
191.05617	2.2
191.07175	2.1
193.04997	1.4
201.05536	1.3
202.06262	3.4
203.07082	3.7
204.04248	1.6
205.05070	7.1
205.08615	2.4
218.21640	0.9
219.06596	2.2
220.07362	5.6
233.08150	1.4
235.09624	5.2
235.13785	0.9
260.31757	0.9
268.64548	0.8
313.10828	1.4
329.14038	1.0
341.10266	5.9
355.11588	1.2
356.12463	3.0
359.15247	1.1
371.14914	2.8
389.16098	2.3
401.15997	56.6
402.16296	3.4
581.22351	12.1
582.22662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2235
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01855	1.8
59.01098	1.8
59.01376	28.7
71.01367	19.3
71.62705	1.5
72.99293	2.5
73.02922	2.7
83.01369	4.2
84.53979	1.1
85.02951	6.1
86.00101	1.1
87.00874	3.5
89.02423	9.8
95.01342	1.5
96.95993	3.5
98.19936	1.0
99.00845	2.0
101.02429	11.9
101.81268	0.9
109.02920	1.6
111.00784	1.0
113.02439	7.3
115.04006	2.2
119.03461	5.7
119.78476	1.0
123.00887	6.9
124.01643	2.0
125.02378	1.1
131.07150	2.4
138.02188	1.6
138.03207	16.7
139.03954	1.6
143.03419	2.2
150.03149	1.9
153.05554	11.8
160.05235	2.4
165.05482	1.3
173.06053	1.0
173.08151	1.2
175.02446	1.0
175.03958	1.2
175.07613	2.2
177.05479	1.1
182.20105	0.9
187.03944	3.3
188.04732	2.1
189.05505	1.7
191.05519	1.5
193.08813	0.9
202.06429	4.7
203.07050	2.8
219.06615	1.3
221.08093	1.6
224.59161	1.0
233.08141	9.1
257.08609	0.9
269.13626	1.8
270.69516	1.1
311.05536	1.0
313.07144	1.9
327.08719	1.9
329.10379	1.2
329.13943	13.8
340.09314	1.8
341.10208	1.6
343.08173	2.3
343.11877	1.6
344.09009	2.3
344.12689	1.1
355.11823	2.8
358.10638	5.4
359.11203	7.9
359.15036	4.7
371.11188	5.7
373.12918	15.1
386.13541	2.0
389.12088	4.6
401.15909	3.6
404.14648	5.1
404.38095	1.2
405.15570	4.8
419.17053	27.8
420.17343	1.8
521.20239	8.7
566.19934	3.6
576.89459	1.1
581.22302	100.0
582.22577	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	579.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41658	10.1
59.01384	33.2
61.98820	84.7
69.26968	100.0
93.03469	18.4
96.96027	12.8
98.20621	26.1
101.08582	10.9
121.02927	17.6
125.02446	15.9
139.45639	10.6
145.02933	23.7
156.51344	10.2
175.48247	12.1
191.05713	12.7
193.46794	11.7
209.11852	26.9
279.17117	14.5
500.69431	12.1
579.28625	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	579.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29530	0.5
55.01881	1.6
57.03442	3.4
58.00584	0.5
59.01372	15.7
60.70100	0.5
61.98833	2.6
69.03458	1.0
71.01371	17.0
71.01757	1.0
71.63575	0.6
72.99299	1.2
73.02938	7.4
75.00866	1.0
81.04357	0.6
83.01374	3.8
85.02938	8.3
87.00864	6.7
87.04520	0.8
88.98800	1.9
89.02424	3.7
93.03449	5.6
95.01373	1.5
96.96020	2.5
99.00865	2.9
101.02429	19.8
104.48156	0.5
106.06612	1.4
109.02919	0.8
109.44894	0.5
111.04450	0.5
111.08171	0.9
112.98595	0.5
113.02445	8.2
113.95538	0.5
117.03452	16.8
117.13262	0.6
117.81976	0.5
118.03843	0.5
119.03550	0.5
119.05013	9.1
120.99657	1.2
121.02921	2.6
123.08173	1.6
125.02458	2.6
125.09705	3.3
127.11277	2.6
129.01926	0.9
135.04530	0.8
137.02415	3.0
137.06097	0.6
137.09712	1.6
139.02211	0.6
143.03522	0.9
143.10913	0.5
145.02934	57.5
146.03307	2.0
150.03177	0.7
153.12865	0.8
155.10776	3.3
159.03058	2.4
159.04219	0.6
161.02502	0.9
161.04543	19.2
161.06004	1.3
163.03990	15.3
165.01903	0.6
165.05545	0.6
171.10243	11.1
171.11649	0.9
175.03970	0.8
177.01907	0.9
177.05608	0.6
179.05664	0.6
185.11807	0.8
191.05580	0.9
199.13237	0.7
205.05078	1.6
217.14412	1.0
223.08194	80.3
224.08624	2.2
229.14445	4.2
230.15184	1.3
231.17468	0.6
235.06067	0.6
236.46021	0.5
256.09750	1.3
257.07959	0.6
265.07053	0.6
276.85898	0.5
281.06427	0.6
285.03909	0.7
285.20700	1.4
294.81165	0.5
325.23770	0.7
337.24066	3.2
339.01425	0.5
341.06656	1.0
343.25003	0.7
355.24777	6.8
371.24283	1.5
373.25876	100.0
374.26254	6.2
390.06967	0.6
418.15103	1.7
475.30811	1.2
519.31732	3.6
543.14771	1.0
579.20203	3.0
579.28015	46.3
580.28558	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	579.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10932	0.2
57.03445	0.5
59.01373	4.2
61.98826	7.0
63.02394	1.1
65.00307	2.3
69.34301	2.2
71.01379	2.7
73.02930	0.9
75.00851	0.3
81.03422	0.3
83.01382	1.3
83.05014	0.3
85.02953	1.1
88.98767	0.4
89.02445	0.9
93.03457	2.0
95.01394	0.3
96.95988	0.8
101.02431	2.2
105.03459	0.4
107.01382	3.7
111.04510	0.3
113.02429	0.7
117.03455	17.1
118.03806	0.6
119.05016	9.9
119.05885	0.5
120.05333	0.3
120.99610	0.6
121.02949	3.6
123.04560	0.7
125.02446	1.4
132.02130	1.4
133.02943	27.6
134.03667	0.5
135.04510	8.4
136.04825	0.5
137.02419	0.5
145.02934	16.2
146.03299	0.7
147.04500	0.4
149.02469	0.6
149.06027	0.5
151.00346	11.9
151.03877	0.3
159.04425	0.4
160.01637	0.3
161.02423	100.0
162.02771	2.5
163.03973	3.6
165.01917	0.7
165.05547	1.1
175.00331	0.5
177.01878	1.3
177.05501	0.5
179.03473	5.0
180.03943	0.2
185.06084	0.4
187.04001	0.7
189.02022	0.3
191.05537	0.4
195.06386	0.3
205.04993	0.4
216.77127	0.3
221.04463	0.4
225.05624	0.3
227.07094	0.4
235.06177	0.3
251.11813	0.3
259.06000	0.3
268.03738	5.3
269.04504	38.9
270.04849	2.1
271.06073	22.7
271.09189	0.4
272.06396	1.3
287.05524	0.5
295.06052	0.8
307.08203	3.2
308.08432	0.4
311.05783	0.4
313.07257	0.4
388.14600	0.3
413.08710	6.5
414.08762	0.5
519.30920	0.7
579.15247	4.6
579.28003	83.8
580.15564	0.6
580.28418	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	579.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
59.55343	0.3
63.96233	1.4
69.03446	0.5
71.01374	6.4
71.07861	0.5
73.02925	1.7
77.90446	0.3
78.98581	6.1
79.95727	9.6
80.96508	62.8
81.03452	0.7
81.17093	0.3
83.01366	0.5
85.02943	3.3
87.00856	2.7
90.88201	0.3
94.98077	15.0
95.01352	0.4
96.96008	2.1
97.02956	1.5
99.00857	0.6
101.02435	2.5
106.98083	3.2
113.02371	0.3
122.97549	3.4
125.02431	2.7
127.03996	0.8
134.97572	5.0
136.99139	1.2
146.97583	0.4
148.99120	5.5
152.98604	5.6
154.20905	0.4
164.98615	12.0
167.00171	0.5
173.49710	0.3
188.98555	0.5
206.99673	1.8
225.00716	13.1
255.23213	0.4
279.23221	1.8
299.04416	3.4
309.54626	0.3
375.97006	0.4
419.70389	0.3
579.28363	100.0
580.28729	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	579.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01373	22.4
61.98822	23.1
63.58379	0.5
66.30510	0.5
67.92950	0.6
69.03407	0.5
71.01375	6.0
73.02911	1.2
75.00852	0.9
82.95387	1.8
83.01379	1.4
85.02925	1.7
86.63607	0.6
87.00854	0.8
89.02408	2.1
90.43340	0.5
93.03437	1.1
95.01372	0.6
96.96002	3.9
97.06544	0.8
98.20682	1.1
99.04496	4.1
101.02421	3.5
107.01369	1.3
107.05029	0.7
109.02901	1.4
113.02448	1.3
115.05481	0.7
117.03453	5.4
119.03509	0.6
119.05005	2.2
121.02931	2.8
123.04472	1.3
125.02406	0.9
130.91516	0.5
131.05034	2.7
132.02179	1.2
133.02942	31.5
133.06566	1.7
134.03236	0.5
135.04517	11.4
137.02431	1.1
145.02950	6.8
145.06534	0.7
146.03275	0.7
147.04506	10.2
149.02361	0.9
150.03174	1.3
151.00348	2.9
161.02423	100.0
161.06032	17.9
162.02771	2.4
163.03996	2.3
163.11310	0.5
165.01895	0.7
165.05499	0.7
165.12883	1.3
175.03905	0.6
179.03448	5.2
189.05571	2.6
189.12831	0.6
191.05644	0.9
195.06662	0.8
207.13821	3.5
208.13617	0.7
209.11801	11.0
221.04512	0.7
225.14922	3.8
229.65280	0.7
237.09763	1.1
251.12938	2.0
269.04529	1.2
269.13895	51.8
270.14355	2.4
285.04065	2.2
286.04489	1.0
287.05472	3.4
343.24832	1.0
357.26877	0.8
359.27560	0.8
383.11469	1.8
414.02090	0.6
421.16556	0.8
519.31824	1.2
563.43524	0.6
579.28278	81.8
580.28448	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	579.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01368	1.6
59.10046	0.2
61.98825	1.9
65.00303	0.2
67.69268	0.2
69.03469	0.4
69.74587	1.0
71.01366	2.4
72.28528	0.2
72.99300	0.3
73.02948	0.5
75.00857	1.0
83.01392	0.3
85.02938	1.5
87.00873	0.4
89.02439	0.7
89.03932	0.2
93.03451	0.2
95.01385	0.3
95.05022	0.3
96.96002	0.3
97.02927	0.2
98.19862	0.3
99.00874	0.7
101.02425	1.0
105.03448	0.5
107.05002	0.3
109.02940	0.2
113.02433	0.5
117.03455	2.7
119.03466	0.2
119.05016	0.9
120.99659	0.2
121.02952	1.2
123.04483	0.4
125.02396	0.2
129.01910	1.1
132.02145	1.7
133.02940	30.6
134.03841	1.2
135.04507	18.8
136.04826	0.4
137.02414	0.8
145.02934	5.2
147.04536	0.3
149.06075	0.5
150.03191	0.2
159.03003	0.6
159.04515	0.2
160.01628	0.4
161.02422	100.0
162.02766	2.7
163.04025	1.2
173.70389	0.2
175.03931	0.2
177.04041	3.4
177.05490	0.5
178.02669	0.2
179.03471	13.9
180.03831	0.4
221.04506	0.6
239.54146	0.2
269.04486	9.1
270.04904	0.7
271.09656	0.3
284.03204	0.8
285.04083	0.9
307.08307	0.4
321.05978	0.3
339.07111	1.5
517.13623	1.2
574.68530	0.2
579.28009	86.1
580.28357	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	579.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89439	0.5
57.03446	0.6
59.01373	5.5
59.39404	0.6
61.98825	9.0
63.02385	1.4
65.00312	4.3
69.72699	0.6
69.73031	3.4
71.01383	2.7
73.02929	1.2
75.00859	0.5
76.71855	0.5
78.93047	0.5
81.03439	1.7
83.01377	4.6
85.02940	1.4
86.95906	0.4
88.98804	0.9
93.03457	3.4
96.95992	1.7
98.19901	1.1
101.02431	1.4
104.22778	0.6
107.01383	9.6
108.02132	1.1
109.02958	1.1
113.02409	0.7
116.09042	0.5
117.03455	20.1
118.03725	0.7
119.05010	27.2
120.05383	0.9
121.02940	4.4
125.02428	5.1
133.02939	3.4
135.04514	2.1
136.01657	0.6
137.02411	1.0
143.05006	40.7
144.05341	1.4
145.02936	75.4
146.03252	2.7
147.04500	0.8
148.43570	0.5
151.00356	17.2
156.05756	0.7
157.06595	1.2
159.04526	0.7
161.02419	9.1
161.04739	0.8
161.06081	3.2
163.03983	7.5
164.01131	1.5
165.01929	2.4
167.03465	0.5
169.01445	0.9
177.01909	3.1
177.04010	0.6
179.03447	1.7
183.08138	1.6
184.05269	1.0
185.06052	15.4
186.06496	0.6
187.04001	2.0
196.00169	1.0
203.07092	4.1
205.05011	0.7
211.07698	0.7
222.02246	0.5
227.07097	44.6
228.07523	1.7
257.99109	0.5
259.06174	2.5
268.03708	0.7
269.04498	7.1
270.04840	5.9
271.06097	18.0
287.05615	1.6
287.22232	0.7
289.08698	1.2
307.08170	5.8
433.11337	1.4
447.78525	0.6
451.13931	6.2
462.69400	0.6
493.14871	0.8
518.30450	1.9
519.31415	2.0
535.15948	3.3
565.88354	0.6
579.15112	100.0
579.28180	21.2
580.15216	11.4
580.24835	0.7
580.28723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
66.89432	0.6
69.29102	6.2
94.11191	0.8
96.95996	0.8
100.35062	0.7
104.54050	0.7
105.85204	0.6
127.07484	0.7
144.90860	0.7
162.14548	0.7
165.84784	0.7
269.04639	0.8
277.21674	100.0
278.21970	5.9
527.02643	0.8
559.42285	0.8
577.42340	58.8
578.42487	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
61.98829	4.2
63.02381	1.5
65.00317	13.4
69.48747	1.5
69.49161	0.6
70.82677	0.3
71.01376	0.4
76.52910	0.3
78.95185	0.3
81.03450	0.4
83.01373	4.9
85.02956	0.4
93.03459	1.3
93.44133	0.3
96.95998	1.1
101.02480	0.3
107.01379	20.0
107.05044	0.3
108.02180	0.6
108.99296	0.3
109.02957	1.6
113.02428	0.4
117.03459	0.8
119.04960	0.4
121.02982	0.7
123.04489	0.3
125.01604	0.4
125.02431	4.1
133.03023	0.6
134.03708	1.0
135.04509	70.5
136.04823	1.6
137.02470	1.5
145.02946	2.0
147.04497	1.6
151.00351	100.0
152.00659	2.4
161.02435	1.8
163.03984	0.7
165.01868	0.8
169.01404	1.1
175.03958	0.3
177.01958	0.7
188.28226	0.3
196.00096	0.4
201.01909	0.5
201.05560	0.4
242.14069	0.3
269.04489	0.8
287.05566	74.1
288.05899	4.3
417.22623	0.6
427.13809	1.6
431.09836	1.7
543.26276	0.6
579.14984	25.1
579.27972	1.4
580.15100	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.6
61.04929	0.5
61.98824	8.7
63.02384	1.9
65.00317	4.7
69.77104	2.8
71.01365	2.8
72.89055	0.5
73.02940	0.7
75.00853	0.5
81.03452	1.6
83.01372	5.7
85.02939	1.4
89.02473	1.0
93.03458	4.8
96.96027	1.8
101.02432	1.2
107.01379	8.8
108.02185	0.6
108.44658	0.4
113.02441	0.8
115.05572	1.2
117.03452	23.7
118.03800	1.0
119.05011	28.7
120.05373	1.0
121.02927	4.9
125.02435	3.7
133.02943	6.2
135.04509	4.2
137.02373	0.7
143.05011	41.7
144.05345	1.9
145.02936	80.7
146.03265	2.9
151.00349	17.7
153.02007	0.6
157.06596	1.5
159.04425	0.5
161.02428	19.6
161.06012	2.5
163.03999	7.9
164.01105	1.0
165.01913	1.5
169.01439	0.6
173.06030	0.8
175.03879	0.9
177.01927	3.2
177.04060	0.8
179.03488	2.8
181.05061	0.6
183.08069	1.3
184.05286	1.2
185.06056	15.7
186.06400	1.0
187.04019	1.3
191.05598	0.9
196.00169	1.0
203.07100	4.5
205.04936	1.0
215.06993	0.5
227.07103	45.8
228.07480	2.2
235.06006	0.6
235.92310	0.5
259.06039	3.4
268.03885	0.6
269.04498	7.8
270.04898	6.8
271.06110	17.1
272.06494	0.7
281.75064	0.5
287.05554	1.2
289.08682	1.6
307.08154	5.4
433.11386	1.6
451.13885	8.3
511.16641	0.6
518.30780	0.7
519.31598	0.9
525.44421	0.6
535.15582	3.8
535.30591	0.6
551.15790	1.0
579.15070	100.0
579.28113	31.5
580.15240	11.2
580.28607	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59961	0.4
55.01868	2.0
57.03440	2.4
57.49435	0.4
58.00603	0.7
59.01371	15.0
59.54574	0.4
61.98822	3.7
69.03457	0.5
71.01375	18.7
71.05030	0.6
71.63388	0.8
72.99294	1.1
73.02939	9.3
75.00851	1.0
83.01367	4.1
83.05023	0.5
85.02943	10.7
87.00862	1.7
87.04494	1.2
89.02447	3.1
89.02885	0.6
93.03467	0.6
93.07110	0.5
95.01379	0.8
96.95999	3.7
97.02914	0.7
97.06593	0.8
98.95592	0.6
99.00858	3.0
101.02432	24.0
101.06026	0.5
103.92967	0.4
109.02959	0.6
111.00877	0.5
113.02433	10.8
116.92800	0.5
117.03481	2.6
119.03500	0.6
119.04996	1.5
121.02937	0.7
123.04462	0.6
123.08170	2.2
125.02419	1.8
125.09710	5.2
128.90123	0.7
129.01935	1.4
131.03445	0.6
133.02939	1.4
135.04536	0.7
137.02408	0.8
137.09680	1.0
139.11272	1.3
141.09251	1.0
141.12834	1.9
143.03462	1.3
143.10812	0.8
145.02942	7.3
146.03389	0.5
151.11304	1.0
153.09093	1.1
155.10773	6.0
159.02945	3.0
160.01649	0.7
161.02560	2.7
161.04535	24.4
163.03983	2.8
169.12291	0.5
171.10248	13.0
175.04030	0.9
177.01830	0.6
179.03439	0.6
185.07146	2.0
185.11812	1.9
191.05481	0.7
192.61110	0.4
197.11850	2.7
200.10544	0.6
215.12915	2.3
223.08200	97.7
224.08539	2.1
227.12843	8.8
228.13551	1.2
231.10236	0.5
242.09328	1.3
257.08176	0.6
260.63760	0.5
269.04553	3.5
289.07141	0.6
311.22256	1.1
320.14517	0.6
323.22137	0.9
335.22263	2.1
341.23270	10.5
342.23627	0.7
353.23270	22.2
354.23471	0.9
369.22717	1.2
371.24326	100.0
372.24692	6.3
415.14069	1.3
415.23215	0.5
498.94882	0.6
517.29871	1.0
577.14197	1.1
577.18616	1.4
577.26721	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01384	1.6
60.90888	0.2
69.34216	2.2
71.01380	1.6
73.02944	0.7
73.83958	0.2
77.43020	0.2
83.01390	0.5
85.02940	0.9
87.00866	0.5
89.02427	0.6
93.03450	0.3
95.01367	0.3
96.96007	0.4
101.02446	0.8
113.02447	0.8
114.02942	0.2
117.03458	20.9
118.03779	0.5
119.05017	12.5
120.05355	0.5
121.02955	0.5
123.04535	0.4
124.06149	0.2
125.02424	0.7
132.11212	0.3
134.03786	0.3
145.02942	100.0
146.03317	2.5
151.00368	0.4
152.01117	0.3
161.04594	0.3
163.03993	10.6
175.03969	0.4
178.99802	0.8
201.38977	0.3
205.05002	0.4
388.57858	0.3
392.63910	0.3
415.13953	67.8
416.14218	4.9
505.09201	0.3
565.66412	0.3
577.14948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84991	0.3
59.01369	1.1
62.59108	0.4
63.96225	1.8
64.32724	0.4
70.62885	0.6
70.63191	0.7
70.67063	0.4
71.01379	6.7
73.02943	1.9
78.95893	0.5
78.98584	6.1
79.05113	0.4
79.95733	11.5
80.96510	70.4
85.02942	3.1
87.00876	2.9
94.98076	14.9
96.95982	1.3
97.02929	1.1
101.02437	2.4
106.98066	2.7
115.39756	0.4
122.97568	3.3
125.02451	2.6
127.03982	0.8
134.97545	4.9
136.99124	1.1
143.03516	0.4
148.99123	5.1
152.98601	5.1
164.98618	10.7
173.11879	0.4
187.50243	0.4
188.98595	0.5
195.81737	0.4
197.30064	0.4
200.85422	0.4
206.99747	2.2
225.00717	12.0
232.76584	0.4
244.26553	0.5
277.21664	1.5
279.23193	1.1
299.04468	2.9
306.75006	0.4
380.04379	0.4
504.30829	1.0
577.26788	100.0
578.27136	10.1
582.98444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	15.3
58.05791	0.8
65.96110	0.9
71.41831	1.6
74.97657	0.8
81.03450	1.6
81.47552	0.8
83.01358	4.9
93.03442	1.1
95.05019	2.2
97.02953	3.9
108.02156	1.0
108.98577	1.0
109.02950	18.2
117.03442	0.9
121.02965	3.1
122.03724	2.2
123.04524	13.8
125.02435	100.0
126.02789	1.1
131.04950	1.1
133.02951	3.2
135.04518	2.5
137.02434	20.1
138.02640	1.1
139.04010	3.1
147.04579	1.0
149.02448	6.3
151.04008	15.8
159.04514	2.4
160.05183	1.4
161.02432	27.4
161.06033	3.6
162.03110	2.7
163.00406	1.8
163.03984	3.6
164.01166	4.2
165.01862	4.7
167.03442	2.2
173.05991	1.2
175.03986	11.4
175.07584	1.8
177.01926	5.5
178.02774	1.0
179.03477	5.6
185.06056	1.7
187.03998	7.8
187.07454	1.0
188.04767	3.7
189.05574	1.4
193.05127	1.3
199.07658	1.2
201.05565	1.5
202.06268	1.0
203.03482	1.2
203.07137	9.7
204.04375	1.2
205.01349	3.5
205.05055	9.1
213.05397	1.4
215.03439	2.1
217.05122	1.3
225.05608	1.1
227.03529	2.2
227.07146	1.6
228.04221	1.9
229.04987	3.1
231.06804	0.9
243.02931	2.5
245.04495	4.3
245.08113	13.9
247.06129	1.6
255.02933	8.5
256.03738	4.8
257.04541	1.3
269.04553	1.5
273.04120	4.3
281.04514	3.1
283.02637	2.5
284.06531	1.0
285.04056	3.2
287.05515	9.1
289.07135	70.1
290.07541	3.8
299.05664	8.5
329.06546	1.2
339.08673	5.1
381.09830	2.4
407.07642	66.6
408.08115	5.3
425.08664	28.6
426.09253	1.8
451.10291	16.6
452.10648	1.8
564.11353	0.9
577.13422	9.5
591.96307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83757	0.6
57.03444	14.8
60.87875	0.7
67.01864	0.7
69.03456	0.8
69.64359	4.3
71.54892	0.8
81.03454	2.2
83.01403	4.2
83.51936	0.9
93.03452	1.9
95.01404	0.6
95.05022	2.0
96.89012	0.7
96.96026	0.9
97.02951	4.7
98.20595	1.3
103.40836	0.8
107.04996	0.7
108.02135	0.8
109.02943	19.9
117.03483	0.9
121.02931	3.6
122.03736	1.2
123.04515	14.8
125.02433	100.0
126.02766	2.2
133.02916	5.3
135.04504	2.2
136.01570	0.7
137.02428	21.0
139.03986	3.0
145.02870	1.2
146.03748	0.8
147.04532	1.0
149.02429	4.2
150.03189	1.3
151.03989	12.7
159.04501	3.3
160.05275	1.3
161.02420	28.9
161.06062	3.6
162.03072	2.5
163.00366	2.7
163.04002	3.7
164.01152	4.5
165.01889	5.7
167.03529	1.7
170.53018	0.6
173.05995	1.3
174.03256	1.6
175.03989	9.5
175.07626	1.2
177.01929	5.1
177.05527	1.1
179.03400	4.0
185.06041	1.2
187.03969	6.8
188.04694	3.2
189.05553	0.9
201.05602	2.3
202.06319	1.7
203.03418	1.1
203.07144	10.4
205.01416	2.6
205.05020	7.8
211.03922	1.3
212.04889	1.6
213.05571	1.7
215.03485	1.8
215.07010	0.8
217.05161	1.2
217.08673	0.8
221.08141	2.3
227.03514	2.6
227.07173	2.0
228.04286	1.4
229.05023	3.4
230.05754	0.8
231.02914	1.0
243.02998	2.8
243.06656	1.5
245.04539	5.5
245.08151	14.3
247.06053	1.6
255.02966	7.8
256.03699	5.0
257.04428	2.0
269.04626	2.6
271.06119	0.9
272.54639	0.7
273.03998	5.8
281.04453	3.9
282.01917	0.9
283.02512	1.9
285.04083	2.2
287.05524	9.4
289.07144	72.5
290.07382	3.6
297.04126	1.0
297.07739	0.8
299.05563	5.7
329.06854	1.8
331.08444	1.0
339.08722	3.8
381.09756	2.1
389.35419	0.7
407.07651	66.1
408.07852	4.9
425.08746	26.0
426.09174	1.9
433.09683	0.9
451.10223	15.5
452.10327	1.5
458.61362	0.8
533.14331	0.9
559.12842	1.7
577.13153	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	577.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.3
59.01375	2.4
61.98819	2.8
63.02388	1.8
65.00306	1.5
69.55312	2.0
73.02934	0.6
76.96899	0.3
82.95400	0.4
83.01382	1.8
85.02946	1.0
87.00884	0.4
89.02436	0.5
93.03466	0.4
95.01389	0.3
96.96006	5.0
96.96587	0.5
98.19881	0.4
101.02446	0.9
105.03467	0.5
107.01394	3.2
109.02945	0.9
113.02467	0.4
117.03455	3.0
119.05021	0.7
121.02930	2.0
125.02435	0.6
127.57008	0.2
132.02153	0.9
133.02939	10.1
134.03709	1.9
135.04520	3.0
137.02417	0.4
142.22208	0.3
145.02937	5.6
147.04497	0.8
148.01683	0.7
149.02432	1.7
149.99551	0.4
151.00357	5.5
158.03728	0.3
161.02431	14.7
161.04411	1.7
162.02960	0.4
163.04012	0.5
171.04454	0.4
173.06091	0.3
175.03979	1.8
177.01891	0.6
177.04102	0.4
177.05629	0.4
179.03481	2.2
183.04462	0.9
185.06122	0.7
187.03970	0.6
188.04761	0.5
191.05615	0.9
195.04504	0.4
197.05923	0.3
198.03259	0.5
199.03973	2.1
200.04686	1.1
201.01878	0.6
211.03992	1.8
212.04790	0.5
213.05504	0.5
215.03577	0.7
217.04991	0.9
227.03473	2.3
228.04155	0.4
233.99660	0.3
235.08192	0.9
237.09724	1.4
238.02679	0.3
239.03505	0.9
240.04276	0.4
241.05083	0.8
243.02986	0.9
253.73820	0.3
255.02908	1.7
256.03711	5.8
257.04230	0.7
268.03787	0.9
269.04532	7.2
270.04871	0.6
283.02512	1.2
284.03226	74.5
285.03995	99.6
286.04352	5.3
297.04053	0.8
327.05118	1.2
327.25159	0.5
341.08633	0.7
357.26428	2.0
359.27945	3.1
373.25754	0.7
387.16406	0.5
413.08835	0.4
429.08228	0.3
431.09747	0.9
489.94217	0.3
517.30261	0.6
577.13428	100.0
577.26630	11.8
578.13715	10.7
578.26465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40453	0.1
55.80655	0.1
59.01375	1.7
61.98826	4.0
63.02395	1.4
63.27748	0.1
65.00345	0.7
71.01358	1.0
73.02934	0.4
83.01383	0.3
85.02964	0.3
88.98858	0.2
89.02428	0.3
92.58061	0.1
93.03449	0.6
96.95995	0.6
98.20752	0.3
99.04563	0.2
101.02467	0.3
105.03408	0.2
107.01387	1.4
109.02940	0.2
113.02447	0.6
117.03455	9.8
118.03799	0.2
119.05007	2.1
121.02948	0.4
125.02460	0.4
129.01968	0.2
131.05159	0.2
132.02135	0.2
133.02956	0.4
135.04526	0.5
137.02435	0.2
139.03935	0.2
145.02942	13.4
146.03297	0.4
149.02423	1.1
151.00334	1.2
159.04500	1.3
161.02422	1.8
161.06049	0.5
163.04008	1.4
164.04320	0.2
169.06567	0.3
177.05446	0.2
181.06560	0.5
183.04445	0.7
191.05551	0.3
194.60385	0.2
196.05258	0.3
197.06039	0.7
199.03993	0.3
201.05524	0.6
203.03429	0.3
210.06812	0.5
211.07614	3.1
212.07973	0.2
224.04759	0.3
225.05594	1.2
227.03435	0.6
229.62509	0.1
239.03438	0.3
241.05121	0.2
268.03732	4.1
269.04514	100.0
270.04861	4.8
307.08282	1.3
311.05450	0.5
379.17694	0.5
391.19678	0.2
413.08710	1.0
431.09613	0.9
467.40851	0.2
471.09250	1.8
471.59219	0.8
472.09158	0.2
517.29974	1.8
541.22394	0.2
577.13428	21.6
577.26489	0.9
578.13782	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	577.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98829	0.7
63.02390	1.3
65.00303	0.6
69.55585	0.9
71.01375	0.3
71.47436	0.1
83.01374	0.3
88.98799	0.2
93.03448	0.3
96.95988	0.2
98.20689	0.2
101.02431	0.3
105.03450	0.2
107.01375	1.5
113.02399	0.2
117.03454	9.1
118.03757	0.2
119.05021	1.8
121.02968	0.3
123.04449	0.1
125.02444	0.2
126.78333	0.1
133.02951	0.5
133.06602	0.2
135.00894	0.1
135.04491	0.6
145.02936	14.1
146.03288	0.5
149.02405	1.0
151.00378	1.0
157.06538	0.2
159.04504	1.3
161.02435	2.3
163.03963	0.8
169.06561	0.4
177.01910	0.2
178.99847	0.4
181.06532	0.5
183.04469	0.6
196.05283	0.5
197.05988	0.5
201.05528	0.6
213.05640	0.1
223.08150	0.3
224.04784	0.2
225.05519	1.4
227.03519	0.6
241.04979	0.2
268.03702	2.5
269.04501	100.0
270.04858	5.4
270.07843	0.2
307.08191	1.4
311.05634	0.2
369.08810	0.1
371.24210	0.6
431.10046	0.4
482.06418	0.1
493.65829	0.2
517.30157	0.2
569.74164	0.2
577.13409	32.2
577.26172	1.5
578.13745	3.6
578.27423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	25.1
61.98819	0.5
69.33124	1.0
69.33551	1.3
71.01362	0.4
78.95895	26.7
83.05038	0.3
96.96945	0.4
104.97483	0.4
122.98527	0.6
152.99571	4.2
168.04294	4.5
212.18260	0.3
224.06894	11.1
224.09129	0.5
233.22612	0.8
242.07985	2.8
259.20618	0.7
275.20184	0.6
277.21674	100.0
278.21985	5.5
376.77335	0.3
502.29330	86.9
503.29669	6.7
517.25360	0.4
576.24976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.6
61.98821	0.4
67.19941	0.2
78.95892	5.4
83.05032	0.3
127.07536	0.2
139.60426	0.2
152.99570	1.4
158.21909	0.2
168.04289	1.5
179.67790	0.2
188.76295	0.2
189.87688	0.2
224.06857	1.0
233.22707	0.6
242.07961	2.9
259.20584	0.3
275.20068	0.2
277.21667	100.0
278.22021	5.6
318.42123	0.2
321.41214	0.2
398.18304	0.2
502.29327	39.8
503.29706	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	577.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31184	0.2
53.21914	0.2
59.01379	1.5
61.98826	0.3
63.02379	1.2
65.00330	0.5
70.41747	0.2
71.01377	0.4
73.02918	0.2
77.32571	0.2
81.87945	0.2
83.01392	0.3
83.75625	0.2
85.02952	0.3
89.03969	0.3
93.03442	0.4
93.13662	0.2
95.47567	0.2
96.96003	0.6
98.19804	0.5
101.02463	0.3
101.06080	0.2
105.03442	0.2
107.01397	1.7
117.03455	37.8
118.03814	1.1
119.05011	8.8
120.05359	0.3
121.02962	0.4
135.04556	0.2
145.02937	91.0
145.91158	0.2
146.03259	2.9
149.02411	1.4
151.00339	1.1
159.04529	1.3
161.02380	1.3
163.03990	4.0
169.06589	0.4
181.06635	0.2
183.04491	0.6
195.04451	0.2
196.05302	0.5
197.06018	0.7
199.04012	0.3
201.05426	0.5
224.04807	0.2
225.05498	1.3
227.03450	0.5
240.04222	0.5
268.03745	16.0
269.04504	100.0
270.04868	5.3
270.07809	0.3
275.24918	0.2
279.30038	0.2
279.34763	0.2
307.08185	2.6
311.05515	1.0
341.23346	0.8
369.45267	0.2
399.23837	0.3
413.08701	12.5
414.09052	0.8
431.09766	15.5
432.09769	1.0
468.74097	0.3
577.13422	58.3
578.13794	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	575.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.6
67.41928	0.3
69.33219	0.9
69.33633	1.8
71.01381	2.6
73.02956	0.7
85.02950	0.8
87.00871	0.4
89.02438	2.1
95.49953	0.3
96.18575	0.3
101.02444	2.6
113.02454	1.6
115.92072	0.4
119.03461	0.7
120.50610	0.3
121.22854	0.3
121.44868	0.3
133.05046	0.3
161.04517	0.9
235.08228	1.7
253.09285	13.3
254.09593	0.5
261.22098	0.3
279.23257	100.0
280.23615	7.2
322.69122	0.3
383.10791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43587	13.1
59.53869	13.5
61.45890	14.6
69.28903	51.7
69.29324	100.0
73.04881	14.1
76.53249	15.9
82.19006	13.6
85.10834	14.7
87.74948	13.4
94.64443	14.2
95.23812	14.4
102.38805	13.8
104.76797	14.7
109.16665	17.3
151.34688	14.1
171.10176	25.0
190.37047	14.1
271.24585	14.6
446.51288	20.1
532.68372	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	575.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18242	0.6
57.03431	1.0
59.01373	33.7
60.01729	0.6
61.98822	9.4
63.25359	0.6
68.99554	1.1
71.01376	9.0
71.43181	0.8
72.99288	0.8
73.02937	1.2
73.96266	0.6
75.00861	1.8
80.91690	0.6
81.03471	0.7
85.02944	2.7
87.00876	1.2
89.02424	4.0
90.93353	0.6
93.03442	1.7
95.01350	1.0
96.95988	5.4
101.02442	5.0
101.06026	0.9
108.71062	0.6
112.98579	1.4
113.02438	4.4
115.05516	1.5
117.03459	1.5
117.05595	0.7
119.03475	2.5
119.05031	2.2
121.02997	0.7
123.08226	0.7
125.02422	1.3
131.05023	4.0
133.02945	1.3
133.06584	2.0
135.04475	1.1
137.02478	3.2
139.17973	0.7
143.03468	1.3
145.02948	3.8
145.06575	1.3
147.04506	100.0
148.04747	1.6
153.09209	2.4
160.01605	0.8
161.02446	1.9
161.04578	3.1
161.06039	26.5
163.04042	1.4
175.03946	1.4
179.03389	1.5
179.10730	1.2
189.05540	10.5
191.07191	0.7
203.10751	0.8
205.12317	3.2
219.06691	0.7
223.13539	0.9
249.07715	1.0
309.10013	0.8
335.16525	2.5
353.23254	0.7
357.19049	0.8
357.26392	1.1
367.17569	2.4
369.23080	1.8
371.24594	1.2
418.40140	0.7
418.75934	0.7
470.83057	0.6
515.22491	4.2
537.26849	4.3
539.25800	1.2
561.97534	0.7
575.12128	1.2
575.29053	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	575.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
59.01374	10.8
61.63027	0.2
63.70305	0.2
66.96495	0.2
70.52231	0.6
71.01376	1.8
73.02931	0.7
76.96272	0.2
83.01346	0.3
85.02929	0.7
87.00829	0.4
89.02438	1.9
91.03958	0.2
95.01392	0.2
96.95969	0.3
101.02438	2.2
109.56818	0.2
113.02397	1.0
113.63895	0.2
119.03467	0.6
133.05022	0.2
161.04523	1.0
179.05600	0.2
209.11784	1.4
235.08231	2.1
253.09251	12.6
261.22195	0.3
279.23236	100.0
280.23575	6.2
291.19589	1.2
294.51657	0.3
305.83545	0.2
515.32288	0.3
575.28003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44101	0.8
51.38941	0.9
51.93774	0.9
54.19334	0.9
57.03440	1.0
59.01373	16.2
61.98829	4.9
71.01374	11.8
71.04993	0.9
71.63411	1.4
72.99298	1.3
73.02943	3.3
79.95744	2.8
83.01356	1.4
85.02942	3.5
89.02432	4.9
93.03448	5.7
96.96001	75.8
98.95570	1.0
99.04522	3.0
101.02432	4.8
108.02115	1.3
111.04537	1.1
113.02423	4.5
117.03452	11.9
119.03589	2.5
119.05012	69.1
120.05366	1.2
121.02946	9.9
122.69151	1.0
123.04532	1.8
125.02427	2.6
127.03950	1.7
131.04996	1.9
132.05785	4.3
133.06577	21.2
134.06926	0.9
145.02934	74.1
146.03360	1.7
147.04491	2.2
149.06033	1.3
159.04486	2.0
161.02451	1.7
161.06053	45.9
161.13348	8.3
162.03123	1.6
162.06372	1.0
163.03992	74.2
164.04333	3.5
175.03964	1.5
177.05553	21.8
179.05579	2.2
183.10240	5.4
187.03983	5.1
205.05022	56.7
205.12302	10.8
206.05403	3.7
206.38863	0.9
217.05006	1.8
218.89677	0.9
235.06078	51.7
236.06398	2.1
249.11295	14.5
265.07132	100.0
266.07550	5.6
307.08154	1.7
325.09219	22.9
325.17975	1.5
326.09515	1.2
349.18631	3.4
368.62488	1.0
369.17154	1.7
385.18539	2.0
411.18362	0.9
413.15973	4.7
413.24356	1.9
429.17593	3.7
448.58447	1.1
515.19623	1.9
515.28381	1.3
531.21704	4.3
539.21033	1.5
575.21136	13.8
575.28931	1.9
576.21252	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.2
60.55363	0.6
61.98816	2.6
67.46481	0.7
69.31246	3.4
69.31677	2.8
71.01376	1.9
79.95732	0.8
81.03424	1.2
83.05019	6.7
85.02936	0.7
89.02465	1.1
93.03473	2.3
96.96001	20.2
98.19833	1.5
101.02429	0.8
103.40013	0.8
109.02946	2.4
113.02437	1.2
113.86474	0.7
115.07622	0.9
117.03513	1.0
119.05028	1.9
121.02949	100.0
122.03274	3.3
123.03693	1.2
123.04520	11.0
125.02464	0.9
127.04002	75.0
128.04347	1.8
133.88040	0.7
137.02492	1.0
145.02930	2.6
161.02507	0.7
161.06003	0.9
163.04034	1.5
163.47360	0.6
166.01765	0.7
187.07634	0.8
205.05084	0.8
246.77954	0.8
255.03021	0.7
265.07181	0.8
357.26620	1.1
377.12408	5.7
499.15723	1.7
515.28442	1.3
537.26752	1.1
575.30914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.9
58.00583	0.9
59.01086	1.8
59.01372	30.4
61.98821	9.6
66.59276	1.0
69.65820	6.6
71.01369	9.7
71.97720	1.0
72.99301	1.5
73.02947	4.2
79.95736	1.2
83.01378	1.4
85.02939	5.2
87.00884	1.4
89.02432	5.7
93.03452	4.1
95.01347	1.6
96.96006	10.7
97.02901	1.2
99.00874	1.7
99.04523	1.3
101.02435	6.4
101.44846	0.9
106.08279	0.9
109.01208	0.9
109.02962	1.4
113.02443	5.9
117.03456	13.4
119.03587	2.5
119.05015	58.0
120.05329	1.3
120.99657	1.0
121.02934	12.2
123.04528	3.3
124.99568	0.9
125.02433	1.8
127.04003	5.0
131.05037	1.7
132.05791	3.2
133.06584	18.8
137.02409	1.6
140.60736	0.9
143.03470	1.6
145.02937	63.5
146.03317	1.9
147.04523	2.2
149.06001	1.5
151.00391	1.1
159.04500	3.0
161.04604	2.5
161.06053	43.6
161.07399	2.1
161.13359	5.8
162.06447	1.1
163.03989	69.5
164.04321	2.0
167.03456	1.8
168.48788	0.9
173.06055	1.0
175.03920	1.8
177.01933	1.3
177.05545	19.9
179.05577	2.0
183.10307	1.8
185.11795	0.8
187.03976	4.3
205.05026	53.2
205.12308	10.8
206.05283	1.1
212.33807	1.0
217.05067	0.9
235.06088	51.0
236.06360	1.1
249.11310	9.7
255.02840	1.3
265.07129	100.0
266.07422	3.4
269.04541	7.2
284.03485	1.0
286.62051	0.9
307.08215	1.5
325.09207	27.7
353.23413	1.2
385.18655	2.0
399.10574	1.5
413.15982	1.2
429.17520	2.0
487.16382	3.8
515.28656	4.6
531.22107	6.7
554.93298	1.3
575.20941	5.5
575.31653	2.2
600.00848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98823	100.0
69.31180	0.4
69.31612	0.5
71.01384	0.1
77.59562	0.1
78.49432	0.1
81.00367	0.1
85.28236	0.1
96.95997	0.1
101.02464	0.1
197.32002	0.1
297.86453	0.1
514.27600	0.2
515.28937	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	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16232	0.3
59.01372	1.3
61.98827	100.0
71.01386	0.9
71.31916	0.7
73.02978	0.3
85.02973	0.4
89.02449	0.9
94.74696	0.3
95.84846	0.3
96.96011	0.6
101.02447	0.8
118.98058	0.3
125.02512	0.3
137.02484	0.4
152.48944	0.3
160.01645	0.4
161.04539	0.3
172.43433	0.3
175.04042	0.5
329.79745	0.3
489.70068	0.3
515.28687	2.7
575.01733	0.3
575.29236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27700	54.0
50.42003	45.8
57.01498	52.0
61.98819	96.7
63.69785	49.8
71.62923	100.0
71.63290	59.5
71.89279	56.9
80.94660	46.6
91.62992	47.1
114.77896	50.6
124.24366	55.8
127.00342	51.9
205.50063	51.9
245.10420	61.1
267.84576	63.4
271.73001	59.1
323.56934	57.8
344.19205	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	573.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03452	4.9
59.01373	32.9
61.98830	13.4
69.03450	8.0
69.37067	7.1
71.01374	22.0
71.05010	2.0
72.99313	0.9
73.02937	7.7
75.00869	3.6
83.01380	3.3
85.02942	11.6
87.00849	1.1
89.02439	5.6
91.64835	0.7
93.03452	1.4
94.98115	0.8
95.01382	1.6
96.96011	7.9
97.02905	1.0
97.97418	0.7
99.00858	2.8
101.02425	18.2
104.20065	0.8
109.02956	0.9
111.00830	1.1
111.08167	1.2
112.39836	0.8
113.02435	9.9
113.06140	0.9
121.02983	0.9
125.02421	2.4
129.88315	1.0
135.04552	1.1
137.02477	2.0
139.10309	1.5
139.11279	18.4
143.03442	1.0
145.02948	2.2
147.04500	2.2
149.02454	0.8
150.30333	0.9
159.03015	2.1
160.01617	2.1
161.04529	11.1
163.04079	0.8
170.55348	0.7
175.04007	1.9
183.10240	100.0
184.10582	3.2
185.11775	2.9
191.05507	1.1
209.11739	1.2
228.40732	0.9
329.15759	1.2
346.20584	1.0
347.17056	79.6
348.17322	4.1
381.22916	1.1
513.27197	14.0
514.27496	1.1
573.28632	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	573.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55214	0.8
51.90604	0.7
55.01871	1.8
57.19673	0.7
58.00572	1.1
59.01374	37.1
60.01699	0.7
60.74794	0.7
61.98825	17.7
64.36357	0.8
69.03452	1.9
69.38725	6.8
71.01376	36.0
72.99300	2.6
73.02942	10.1
75.00883	1.2
83.01370	4.8
85.02948	12.5
87.00862	3.3
89.02438	25.4
93.03443	1.4
95.01383	1.6
96.96009	3.9
97.02940	1.9
98.19915	1.8
99.00872	4.1
101.02439	24.4
111.00859	3.0
113.02437	10.6
115.03992	2.1
119.03498	3.3
119.05036	1.1
125.02460	4.0
128.26332	0.7
131.03494	8.9
132.02171	1.7
133.47772	0.7
134.03712	1.6
137.02414	0.9
143.03459	3.0
145.02957	1.1
149.04539	10.1
159.02917	1.2
160.01649	4.3
161.02391	1.1
161.04549	5.7
163.06085	1.1
175.03979	4.7
183.10223	1.5
191.05623	2.4
193.04991	0.8
219.17465	2.5
233.06589	2.2
293.08798	1.7
381.22736	10.3
513.26959	100.0
514.27441	9.8
516.65125	0.8
537.27234	0.9
573.26813	7.0
574.27441	1.1
600.29974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2911
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
51.98708	0.5
55.01870	0.9
59.01374	23.8
61.98827	16.5
69.03458	1.0
71.01375	31.7
71.22498	1.2
72.99297	1.7
73.02937	11.3
75.00857	2.6
78.25312	0.6
83.01392	4.0
85.02943	13.4
87.00878	2.0
89.01907	1.2
89.02432	16.1
93.03417	0.8
95.01372	2.4
96.95999	3.5
97.02925	1.6
99.00880	6.7
101.02431	21.5
111.00890	0.7
113.02441	12.2
115.03941	1.4
119.03486	2.0
121.02925	0.8
125.02427	3.1
131.03496	3.3
137.02429	1.3
143.03493	1.5
145.02927	1.3
149.04558	3.9
154.22652	0.6
159.02956	1.9
160.01646	1.0
161.04535	6.7
175.04033	1.0
177.01875	0.9
191.05579	2.0
219.17554	4.6
233.06691	1.1
285.18234	0.7
293.08832	0.9
381.22766	14.3
382.22971	1.5
452.24667	0.6
513.26959	100.0
514.27197	10.1
573.27985	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	573.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20564	0.3
59.01371	0.4
59.32124	0.3
61.98816	0.3
63.02392	0.3
65.00314	1.6
71.62800	0.4
73.83054	0.2
79.01920	0.2
79.95744	0.5
83.01400	0.3
91.01887	11.2
93.03430	0.3
95.01392	0.7
95.52083	0.2
96.96003	9.3
98.51531	0.3
101.02383	0.3
108.02144	3.0
109.03000	0.3
111.00874	1.5
116.96078	0.3
120.99622	0.3
123.00858	0.8
123.04513	33.6
124.01636	1.3
124.04809	0.7
125.02418	0.4
139.00339	0.3
152.01138	3.1
163.03966	0.6
167.03474	100.0
168.03812	2.9
177.01950	0.3
192.28886	0.3
259.17859	0.3
389.50644	0.3
573.13525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03440	0.8
59.01365	3.2
61.98820	0.6
65.00306	0.8
65.03951	0.6
67.01866	2.2
68.99815	0.8
69.03433	0.6
69.30485	1.1
69.30885	3.6
71.01377	4.8
72.99284	0.5
73.02937	1.7
81.03445	5.9
83.01385	2.1
83.05016	18.5
85.02934	3.8
89.02422	1.1
91.01886	2.7
93.03448	13.5
95.01378	3.3
96.96014	1.7
97.02934	0.6
99.00900	0.9
100.24226	0.5
101.02430	4.6
101.48769	0.5
107.01366	10.1
107.05017	0.6
108.02169	4.8
109.02947	7.0
111.00869	2.3
111.04510	38.9
113.02434	4.2
121.02946	0.7
123.00884	8.0
123.04510	14.9
124.04861	0.4
125.02432	7.7
125.09712	0.5
127.04018	0.7
133.02919	2.2
135.04539	0.8
137.02431	3.1
138.03175	0.6
141.84970	0.5
143.03496	0.6
149.02437	1.1
150.03220	0.7
151.00351	29.1
152.01144	6.3
153.05554	0.8
155.03488	20.6
161.02417	1.9
163.03893	0.6
166.02678	3.9
167.03474	45.6
168.03844	1.0
175.03949	0.9
181.05093	0.9
183.10390	0.7
187.07684	0.8
197.11758	0.5
199.04016	0.9
257.04645	0.5
265.10620	0.7
285.04019	15.1
286.04395	1.0
289.14578	0.5
296.05334	23.7
297.05838	1.0
303.49026	0.4
311.07687	100.0
312.07971	5.3
373.25693	1.3
405.11859	2.5
411.23856	17.0
412.23904	1.1
423.12949	1.4
435.12936	2.3
467.11960	0.8
529.17218	0.7
573.15564	4.3
573.29199	1.9
574.15894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01370	21.2
61.98825	12.4
69.03445	2.3
69.44373	9.7
71.01369	4.7
73.02921	2.0
75.00836	2.1
80.44945	1.2
81.03455	2.8
81.77108	1.3
83.01408	1.7
83.05014	6.2
85.02943	3.5
87.00839	1.5
88.98793	1.4
89.02429	3.9
89.03909	1.5
90.21761	1.1
93.03448	26.0
95.01368	1.2
96.95995	13.4
98.20658	2.4
101.02419	3.3
108.02153	1.4
109.02943	18.2
111.04507	18.2
113.02448	2.2
117.03434	5.0
119.05023	6.6
121.02935	4.7
123.04501	9.9
125.02447	5.7
127.07642	2.1
133.02914	10.4
135.00862	1.7
135.04492	4.9
137.02437	13.5
137.06059	1.2
138.03162	4.3
139.03984	1.7
139.11284	1.8
145.02928	35.4
147.04498	2.5
149.02438	2.7
150.03189	2.6
151.03946	4.6
159.04512	2.3
161.02429	2.4
161.04633	2.1
161.05957	2.6
163.00333	2.0
163.03995	6.4
167.03429	2.2
168.04245	2.8
174.01637	3.3
175.03947	1.5
176.01138	4.0
177.01903	92.1
178.02278	2.3
179.03520	1.7
183.10234	15.0
187.03995	4.1
189.01910	29.5
190.02609	5.2
191.03441	6.6
197.11780	2.8
201.01891	4.3
201.05452	1.3
203.03506	3.1
207.10237	1.3
209.06033	2.2
211.03828	1.4
213.05603	2.3
216.00641	6.8
217.01389	40.4
218.01974	2.7
219.02919	7.7
225.05626	2.6
225.11304	5.8
229.05022	6.5
231.02965	7.6
235.07712	1.4
237.05493	1.2
239.07109	2.3
241.04999	15.2
243.06544	3.5
251.07106	1.5
253.05029	2.3
255.06694	1.7
256.03763	1.6
265.04984	1.9
265.10788	11.1
267.06601	1.9
268.03757	1.5
269.04501	16.0
271.06088	23.9
272.06146	1.5
279.06506	1.6
281.04565	4.2
282.05069	2.0
283.06104	19.3
284.06317	1.6
285.07553	4.1
289.07074	1.5
295.06128	2.1
297.07565	1.4
305.04672	1.9
307.08075	1.7
308.03195	2.1
310.04764	3.4
311.05576	100.0
312.05884	4.8
323.05554	55.6
324.05899	4.9
329.06616	3.3
339.04980	1.6
341.06595	60.0
342.06824	3.7
347.17090	3.5
367.04425	3.2
379.11966	2.0
405.09769	11.5
411.23785	9.9
417.09729	29.8
418.10095	4.2
423.10748	5.2
427.15909	3.6
430.46912	1.6
435.10773	62.7
436.10892	6.1
461.08719	35.9
462.09061	3.2
489.07993	1.9
535.25525	1.7
537.27155	10.0
548.13306	1.1
555.12592	2.4
573.19739	7.8
573.28992	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	573.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65810	0.1
65.57913	0.1
69.91712	0.5
79.95730	3.0
85.30493	0.1
96.96001	100.0
97.95943	0.2
103.76348	0.1
184.48308	0.2
194.31476	0.1
284.03381	0.2
308.15656	0.1
410.85910	0.1
543.65845	0.2
573.18622	0.2
573.81622	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	570.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
64.12276	0.2
87.15025	0.2
97.55449	0.2
137.66393	0.2
175.54805	0.2
244.40338	0.2
275.65781	0.2
513.65448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.288
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.82830	0.4
63.01820	0.5
70.90047	0.6
70.90382	0.6
71.28392	0.4
78.95897	56.3
78.99632	0.3
89.75877	0.4
96.96952	12.9
134.98524	0.5
152.99570	53.3
153.99979	0.6
171.00626	0.4
203.35435	0.5
223.00111	1.5
241.01149	29.1
242.01591	0.4
255.23264	63.6
256.23666	3.6
259.02307	0.6
315.04819	8.1
373.47897	0.4
391.22409	4.4
400.33279	0.4
401.88223	0.5
554.56598	0.5
571.28809	100.0
572.29126	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	570.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17166	0.4
58.02971	13.8
59.01348	1.0
61.98822	1.6
70.02971	4.3
71.01350	0.6
72.00896	2.9
74.99091	0.6
77.35219	0.5
80.83443	0.5
85.02940	0.7
87.00838	0.6
89.69736	0.5
91.05521	3.5
96.96015	2.4
97.47025	0.5
98.19926	1.5
121.96827	0.5
125.02409	3.8
126.32399	0.5
137.02502	0.7
139.03966	0.5
147.00795	1.1
147.04514	19.6
148.04822	0.7
151.00336	2.0
153.01947	1.5
158.85042	0.5
164.07155	52.9
165.01958	1.1
165.07486	1.9
175.00395	2.0
178.99825	1.5
191.03625	0.9
191.05618	2.0
193.01399	9.5
200.81396	0.5
206.08202	100.0
207.08568	3.4
215.03415	0.8
250.07135	1.0
257.04449	0.8
301.03564	1.3
319.04785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2994
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
57.03425	0.4
59.01373	0.9
63.96224	0.7
64.38897	0.3
69.03454	0.7
70.68281	0.5
70.68642	0.7
71.01369	6.5
71.52212	0.3
73.02940	1.3
75.54615	0.3
78.98585	5.3
79.17024	0.3
79.95730	8.9
80.96507	58.0
81.03451	0.6
85.02946	2.0
87.00852	2.1
94.98077	13.5
95.01373	0.3
96.96015	1.1
97.02943	1.3
99.00839	0.4
99.07821	0.3
101.02451	2.1
106.98083	3.0
113.02423	0.5
122.97584	2.8
125.02434	2.8
127.04025	0.6
134.97585	4.7
136.99112	1.5
148.99129	5.5
152.98633	4.0
164.98601	11.3
167.00206	0.5
172.74933	0.3
175.43338	0.3
180.61876	0.3
206.99677	1.9
225.00706	15.8
232.46298	0.4
269.24780	2.1
299.04343	2.8
504.43271	0.4
515.98456	0.3
569.29901	100.0
570.30225	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	569.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.0
59.01371	39.9
61.98814	5.2
69.46714	6.8
71.01368	10.0
71.10296	0.8
72.99275	1.0
73.02928	5.9
74.30882	0.7
83.01383	1.6
83.05032	1.2
85.02937	2.7
87.00784	0.9
87.90488	1.0
89.02425	4.2
93.03445	49.9
95.01382	2.9
95.05072	0.8
96.95999	6.6
99.04503	8.4
101.02432	4.6
107.01385	1.2
107.04996	2.6
108.02147	2.5
109.02939	2.2
113.02457	4.2
117.03452	12.2
119.05007	10.8
120.99617	3.8
121.02958	4.5
123.04502	3.2
125.02409	4.6
133.02950	1.3
135.04503	3.9
136.01645	22.0
137.02426	91.2
138.02745	2.4
139.03960	1.0
145.02934	75.5
146.03275	1.6
147.04582	1.7
149.02466	4.5
150.03204	2.1
151.00333	3.7
151.03996	10.8
161.06062	2.0
163.00313	2.6
163.03984	13.1
165.05496	2.0
165.12833	3.0
169.05101	0.8
171.10214	2.7
175.03877	1.6
179.03474	74.3
180.03828	2.3
181.05031	2.4
193.04977	0.8
195.06442	1.6
199.04039	1.1
199.13367	1.4
201.05449	0.9
205.05054	2.5
207.13889	7.8
209.04538	12.5
209.11797	22.1
210.12276	1.0
211.03937	1.6
212.36293	0.9
213.05460	1.3
225.14984	4.5
227.03531	1.2
235.05997	1.5
239.05576	51.6
240.06070	1.2
243.02992	1.2
243.12314	6.3
251.12859	5.5
255.02852	1.9
257.04453	2.7
259.06238	1.2
265.07108	2.6
269.13892	100.0
270.14276	3.1
271.02426	10.7
283.02512	2.1
284.03220	2.9
285.03848	8.6
286.04037	6.1
287.04443	5.8
299.02023	11.2
299.07614	15.4
300.02670	9.0
301.03394	2.6
311.01892	1.1
312.02719	3.4
313.03415	5.8
325.09326	1.6
364.06223	0.9
371.24173	1.1
406.06836	3.6
407.08188	2.1
407.17029	48.4
408.17563	3.1
447.25943	1.5
449.20087	4.2
463.09006	3.1
475.08783	2.5
509.20422	2.1
521.18195	1.9
551.21265	1.6
569.12543	44.1
569.22272	92.3
570.13062	4.2
570.22632	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58332	0.4
53.29115	0.5
59.01376	3.1
61.98824	20.4
62.13059	0.4
68.12600	0.5
69.27481	2.7
69.27915	1.9
71.01370	2.4
73.02918	0.5
74.15115	0.5
75.21873	0.5
75.32014	0.4
81.03448	15.5
83.05018	100.0
84.05353	2.1
85.02938	1.1
86.86912	0.5
87.04513	4.4
88.98799	0.6
93.03452	7.1
96.95996	0.8
99.54620	0.4
101.02442	1.1
107.04992	0.5
109.02935	9.0
111.04509	15.7
113.02451	1.1
117.03451	17.3
119.05014	12.4
121.02943	12.5
123.04518	16.5
125.02457	1.4
135.04475	1.1
137.02438	5.9
145.02939	84.7
146.03253	1.8
151.00478	0.8
155.03488	35.2
156.03859	0.9
161.04576	0.4
161.06055	1.7
163.04002	13.5
175.03961	0.5
187.04065	1.1
205.05069	1.3
217.04955	0.6
235.06029	1.0
247.06087	0.9
265.07034	1.6
285.04095	1.0
287.05576	0.7
300.03015	0.7
307.08194	43.5
308.08630	1.9
325.09296	1.4
351.50687	0.5
359.14804	1.7
407.20679	3.4
413.12225	1.8
423.12881	8.2
431.13406	33.7
432.13754	2.0
485.10715	1.7
493.85532	0.5
509.26187	2.6
569.16559	23.8
570.17126	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	569.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50351	0.6
57.03435	0.6
59.01397	1.3
61.42495	0.5
61.98820	2.6
65.03958	0.7
71.01367	1.7
73.02937	0.7
81.03448	10.2
83.05016	57.5
84.05313	0.6
85.02946	1.2
87.00882	0.5
93.03447	14.0
96.95966	0.5
98.20712	1.2
101.02432	1.4
109.02937	12.3
111.04507	46.0
112.04839	1.0
117.03453	27.7
119.04210	1.1
119.05009	12.7
121.00365	0.5
121.02943	9.0
123.04504	10.6
125.02415	0.9
127.03961	1.5
133.02979	0.9
133.73405	0.5
137.02425	5.3
145.02936	100.0
146.03224	3.0
153.01883	0.6
155.03487	31.3
156.03816	0.7
157.05038	1.1
158.05331	0.7
161.06099	0.9
163.03976	13.3
173.04504	0.7
173.06198	0.6
187.03963	1.3
188.19223	0.7
205.05014	0.8
207.39293	0.5
229.60536	0.6
247.06149	0.6
251.07098	1.0
285.03918	0.7
303.05075	0.5
306.32333	0.5
307.08182	60.9
308.08441	3.7
348.28778	0.6
413.12320	3.2
423.12851	4.5
431.13379	21.0
432.13739	1.1
533.23865	1.0
542.10779	0.6
569.16431	10.0
569.24536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26799	0.2
59.01374	5.0
61.98826	2.6
65.03949	0.4
69.03421	0.2
71.01369	1.0
71.63043	0.4
77.03958	0.3
81.03449	9.0
83.01395	0.3
83.05017	43.4
84.05352	0.7
85.02934	0.4
93.03452	4.4
95.01360	0.2
96.96005	0.6
97.02933	0.4
101.02412	0.5
107.05006	0.7
107.11070	0.2
108.02215	0.3
109.02939	18.6
110.03316	0.4
111.04505	3.9
113.02486	0.3
121.02943	100.0
122.03264	1.8
123.04508	17.3
124.04861	0.6
125.02415	2.2
125.09686	0.2
127.03999	1.2
133.02921	0.5
135.04532	0.3
137.02428	28.0
138.02779	0.6
139.03951	0.2
145.02948	1.1
148.70105	0.3
151.04022	0.2
155.03482	19.5
156.03792	0.3
156.57063	0.2
163.04080	0.2
173.16338	0.2
175.02426	0.2
179.84985	0.2
180.36568	0.2
211.07616	0.3
230.15146	0.2
264.89023	0.2
279.19534	0.3
284.03214	0.5
285.04022	0.7
341.08679	0.7
351.41873	0.2
382.92807	0.2
407.20679	2.0
447.12906	18.2
448.13287	1.4
569.16608	10.9
569.26086	0.9
570.17426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1294
Annotation	cudranian 2
Peak:m/z	Relative Intensity
59.01369	2.0
61.98824	1.2
65.00317	0.7
69.51374	0.8
69.51768	3.1
70.25268	0.4
71.01364	1.0
79.29428	0.4
80.05511	0.6
83.01362	0.9
89.02440	0.6
91.80815	0.4
93.03436	2.5
95.01380	0.4
96.73192	0.4
96.95988	4.0
101.02441	0.6
107.01389	1.0
108.02117	0.7
109.02942	2.2
111.04484	0.6
117.03514	0.5
119.05015	1.1
120.99625	2.5
121.02980	1.1
123.00870	0.8
124.01614	0.6
125.02416	2.0
135.00868	1.0
137.02438	2.7
139.03906	0.4
143.04926	0.5
145.02928	3.0
147.00865	0.8
147.04471	0.9
147.33058	0.4
148.01633	2.1
149.02422	1.7
151.00362	6.1
161.02484	0.6
163.00371	6.9
163.03967	0.9
164.01056	0.8
165.01797	0.5
169.06578	0.5
171.04503	0.7
175.00381	3.1
175.03879	0.5
176.01094	2.5
178.99857	1.1
180.28429	0.4
185.06052	1.1
187.04016	0.7
190.99908	0.8
199.04001	1.8
200.04744	0.6
201.01976	0.7
211.03952	2.4
212.04805	0.7
213.05507	5.9
214.02611	0.7
215.03485	1.9
216.04185	0.4
226.02638	1.1
227.03487	2.1
228.04028	0.7
229.04971	0.7
239.03334	2.8
240.04111	0.7
241.05008	2.0
242.01994	0.5
243.03024	4.1
253.04880	0.7
254.02119	1.2
255.02942	4.6
256.03714	2.4
257.04562	5.8
265.07034	0.6
267.02972	3.4
269.04492	1.4
270.01544	0.6
271.02429	36.6
272.02948	2.4
283.02423	9.2
284.03146	2.3
285.03943	4.6
295.02353	0.7
299.01929	37.6
300.02689	27.9
301.03427	11.2
311.01938	3.1
311.07642	0.6
312.02725	11.0
313.03482	16.4
313.07156	0.9
314.03870	1.1
355.06580	1.6
406.06818	10.7
407.07458	5.2
433.11224	1.2
447.26035	0.5
463.08768	12.8
475.08743	10.6
476.09198	0.9
533.23462	0.6
546.85468	0.5
569.12903	100.0
570.13336	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	569.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.5
59.01368	1.4
61.98838	2.0
62.04344	0.5
63.02370	0.4
65.00314	0.6
69.70507	0.6
69.70788	2.3
70.41812	0.3
71.01357	1.3
81.03448	0.8
83.01385	1.9
83.05013	0.9
85.02940	0.4
87.39191	0.3
88.98813	0.5
89.02451	0.7
89.21443	0.3
93.03442	3.4
95.01376	1.2
96.96012	5.3
107.01378	1.6
108.02142	0.6
109.02948	1.9
111.00831	0.5
111.04516	1.2
117.03451	1.3
119.04996	1.5
121.02927	2.5
123.00871	0.7
123.04509	1.0
124.01660	2.2
125.02437	25.8
126.02749	0.6
133.02948	0.5
135.04480	0.6
137.02435	2.2
138.01938	0.5
139.03996	0.5
145.02922	6.5
147.04518	0.8
149.02417	1.8
150.03197	1.1
151.00365	6.0
151.03986	1.5
152.01135	3.0
153.01965	2.1
155.03487	0.4
161.02414	0.5
161.05962	0.6
163.00372	3.0
163.03970	1.8
165.01901	0.5
171.04462	0.6
172.05275	0.4
173.06024	0.4
174.03172	0.5
175.00354	0.6
175.03999	2.3
176.01163	0.5
177.01913	0.9
178.99847	2.6
183.04456	0.5
185.06007	0.4
188.04782	1.0
189.05507	1.4
191.03467	0.6
193.05072	0.8
197.06099	0.8
199.03967	1.3
200.04721	0.4
211.03923	0.9
212.04730	0.4
213.05486	1.3
215.03406	0.5
215.07101	0.6
216.04274	0.8
217.05035	2.6
226.02710	1.0
227.03464	2.1
227.16447	0.4
228.04189	0.6
229.04977	0.5
231.06598	0.5
235.05934	0.7
239.03381	1.4
240.04099	0.7
241.05042	2.3
242.02095	0.4
243.02928	6.5
244.03574	0.5
254.02214	1.9
255.02968	5.7
256.03650	1.8
257.04669	2.3
259.06125	4.2
265.07095	0.9
267.02960	2.4
269.04642	0.7
271.02463	22.9
272.03156	4.4
275.05423	1.4
283.02533	4.0
284.03232	4.3
285.04034	13.0
286.04419	0.9
287.05496	3.8
288.05655	0.4
299.01874	4.5
300.02719	11.2
301.03476	5.5
302.04007	0.5
303.05042	1.2
307.08157	0.9
312.02722	2.9
313.03491	4.3
349.07040	1.1
360.06409	1.6
361.07138	1.5
371.24237	1.3
377.06619	10.9
378.07260	1.3
406.06870	25.8
407.07523	5.8
417.05850	0.5
463.08783	1.4
475.08405	0.4
505.17050	0.5
525.13416	0.6
531.22418	1.0
533.16388	1.2
533.23816	1.6
541.13440	4.5
551.12134	2.5
551.19409	0.5
569.12903	100.0
570.13300	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	568.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36018	0.3
61.98823	100.0
69.34880	0.3
69.35196	2.8
80.96494	0.9
109.68567	0.3
114.29771	0.3
179.40692	0.3
223.13145	0.4
332.24023	0.4
406.97217	0.4
461.36288	0.9
483.27121	0.4
505.35281	35.6
506.35416	3.9
568.35321	0.6
569.30286	1.3
569.40515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93730	0.3
52.02431	0.3
58.74848	0.3
61.98823	100.0
69.95673	0.6
69.96088	1.3
71.01379	0.5
78.98587	0.7
79.95749	0.9
80.96509	6.9
85.02959	0.6
86.16388	0.3
92.95448	0.3
93.06152	0.3
94.98093	1.7
122.97610	0.5
123.23495	0.3
125.02455	0.4
134.97549	0.4
136.24713	0.3
144.26881	0.3
144.57841	0.3
148.99168	0.4
152.98682	0.7
164.98645	1.1
225.00792	1.8
239.30946	0.3
255.54123	0.3
294.57886	0.3
299.04318	0.4
326.16626	0.3
383.33069	1.4
397.34836	1.7
413.34210	1.6
423.32370	0.4
441.33194	0.5
443.34988	2.1
459.34698	9.9
460.35229	0.7
461.36771	0.4
487.34213	5.1
488.34662	0.5
505.35281	39.7
506.35629	4.5
568.34857	0.5
569.29913	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	567.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
58.00583	0.7
59.01371	100.0
60.01694	1.2
61.66254	0.7
61.98825	4.1
68.50186	0.6
69.03455	2.8
71.01374	4.1
71.05016	1.0
71.63188	0.9
73.02975	0.8
75.00874	0.9
80.36082	0.7
85.02930	1.2
89.02428	1.7
93.07076	1.4
96.95988	1.3
101.02448	3.1
109.06582	2.0
111.08176	1.9
113.02438	3.2
119.03521	1.4
121.02943	1.0
123.00859	0.7
123.08136	1.3
125.02427	1.8
125.06064	1.0
127.07623	8.0
137.02461	0.8
137.06052	5.9
139.11292	3.6
145.02922	1.1
149.06071	0.7
155.07104	4.4
161.04555	1.5
163.04071	0.9
165.09174	1.7
183.10231	32.6
184.10606	1.0
197.11794	24.8
198.12003	0.9
207.10277	1.0
209.11688	0.8
213.51344	0.8
225.11272	38.5
226.11697	1.4
253.29408	0.7
255.12376	4.1
285.13400	5.9
405.19092	1.7
518.28912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67065	1.9
51.01456	1.9
59.01375	43.8
61.98825	40.9
65.03967	2.5
71.01365	8.2
71.63042	3.1
73.02939	2.3
81.03463	11.9
83.05022	79.7
85.02963	2.2
88.98814	3.5
93.03448	28.6
96.96000	4.5
101.02435	3.4
101.06069	56.6
109.02948	36.6
111.04513	87.6
113.02450	2.5
113.51511	1.8
117.03467	4.5
119.04987	2.4
121.02945	39.8
123.04514	100.0
125.02426	7.1
127.03976	3.8
137.02438	36.3
145.02922	11.9
151.00385	2.7
155.03494	53.7
163.03999	2.8
175.03917	3.2
189.05586	2.0
236.69086	2.1
243.96120	2.2
245.10228	4.7
276.98022	2.0
285.03329	2.3
507.18851	24.7
567.30347	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74734	0.7
59.01388	4.4
61.98824	5.2
69.73281	3.7
71.01373	3.4
72.99311	0.8
73.02930	2.5
75.00888	1.2
85.02949	3.7
87.00856	0.8
88.98814	1.2
89.02463	1.5
89.56841	0.6
93.03455	3.9
96.95996	5.4
98.95580	0.9
99.92558	1.7
101.02439	1.5
102.98582	0.9
105.01888	0.8
105.03485	0.7
108.02148	1.1
109.02938	1.3
113.02454	1.2
116.92848	17.8
117.92852	2.0
119.03493	1.0
119.04996	1.1
120.99644	3.9
121.02966	4.5
122.03738	10.5
123.04514	1.4
124.01595	0.7
125.02414	1.9
133.02953	2.2
134.03755	1.2
135.04523	1.9
136.01582	1.7
137.02414	3.3
145.02982	1.7
149.02419	12.7
150.03215	74.5
151.00430	1.1
151.03801	2.6
153.01958	1.2
161.02435	3.9
161.06107	1.1
163.04019	2.2
164.04753	2.5
164.63544	0.7
165.05554	100.0
166.05893	2.1
177.01878	1.2
178.02704	5.0
179.03479	18.2
180.04247	7.7
191.01920	1.7
191.05614	2.6
193.05035	5.1
194.05809	22.0
195.06602	94.3
196.06978	3.2
205.04950	0.9
209.08177	21.5
235.05994	0.8
265.07150	1.7
276.08804	0.7
295.10916	0.9
327.08710	2.0
342.11029	1.1
357.13287	3.7
387.23679	1.3
390.13031	1.7
405.10013	0.9
405.15454	19.9
405.24506	1.1
406.15817	1.2
505.58585	0.8
567.22351	4.3
567.30957	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	567.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47737	0.7
57.03452	1.2
58.00580	1.9
59.01371	35.5
71.01373	35.6
72.99307	2.4
73.02935	4.3
77.66180	0.8
77.92531	0.7
83.01392	2.4
85.02945	9.3
86.88064	0.6
87.00880	1.9
89.02433	34.1
90.15015	0.6
93.03459	5.1
95.01365	2.8
96.96007	1.2
97.02896	1.0
99.00872	1.9
101.02430	17.3
105.24556	0.6
108.02174	0.8
109.73325	0.6
113.02434	13.8
119.03499	12.0
121.02943	4.6
122.03734	13.6
124.01720	0.7
125.02418	1.4
131.03506	2.5
133.02902	1.5
136.01630	2.1
136.99060	0.8
137.02411	3.1
143.03461	5.0
145.02960	0.8
147.04514	1.6
149.02422	37.0
149.04475	1.7
150.03207	100.0
151.03697	2.7
159.02968	1.3
160.05249	0.7
161.04550	8.7
163.03979	1.1
164.04778	11.5
165.05547	100.0
166.05910	3.4
176.77017	0.6
177.05559	1.0
179.03384	1.1
179.05589	14.2
180.04247	6.0
191.07190	1.3
193.08687	1.1
194.05692	1.4
195.06598	66.5
196.06947	2.2
207.06651	0.8
209.08128	5.8
217.07245	0.7
313.10840	1.4
342.11084	5.6
357.13364	67.5
358.13712	5.5
375.14301	0.8
405.15393	7.1
519.18536	5.1
567.20807	22.9
567.29706	1.3
568.21234	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	567.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20532	1.5
53.87402	1.4
55.01886	1.9
58.00587	1.9
59.01375	53.5
65.75069	1.4
65.84988	1.5
67.01935	1.5
71.01376	50.4
71.62505	1.5
72.99300	4.1
73.02942	7.3
74.99118	2.1
75.00874	1.3
83.01402	3.3
85.02940	17.0
87.00872	5.1
89.02444	47.5
94.19019	1.3
95.01399	4.3
96.95997	3.0
99.00885	2.5
101.02441	24.4
109.02946	1.5
113.02438	21.0
119.03487	16.9
121.02961	7.5
125.02429	2.1
126.25273	1.7
131.03514	3.7
135.00879	2.3
136.01636	2.0
137.02438	16.2
141.10327	1.3
143.03476	5.0
147.00932	2.1
151.03995	2.6
156.01530	1.4
161.04549	12.7
163.04030	2.7
164.01083	2.0
165.01915	100.0
166.02487	2.3
177.05496	1.9
179.01144	1.8
179.03488	30.4
179.05586	27.4
179.07115	4.4
180.04262	57.4
181.04688	2.6
191.05615	4.2
191.07190	1.5
194.05925	7.3
195.02948	2.3
195.06602	71.2
196.07072	2.1
209.04576	5.4
210.05394	12.6
223.09773	2.2
225.07672	48.2
298.08545	2.2
299.09250	4.8
311.09454	2.1
313.10934	2.1
327.08698	14.5
342.11047	17.7
357.13391	98.7
358.14090	7.1
359.11343	2.4
387.14725	2.3
405.15652	12.0
519.18604	15.6
567.20947	42.8
568.20917	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02274	11.8
54.07679	12.2
59.01360	36.9
61.40718	11.2
61.75630	11.6
61.98804	35.7
64.04294	11.3
69.36666	100.0
75.14375	10.8
91.63326	11.5
93.23449	10.8
96.95985	43.4
105.20206	12.3
107.43185	11.5
116.92854	29.5
121.02946	14.7
133.44853	11.6
141.53062	12.3
156.84026	11.3
226.87587	12.2
234.49951	12.2
254.85553	26.0
255.49060	12.1
298.72977	12.6
394.66943	13.3
565.74146	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	565.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	67.1
61.98823	100.0
71.01363	22.9
71.62807	17.8
72.09273	16.5
72.27136	14.7
84.66923	14.6
84.69473	16.2
89.15371	14.6
89.81451	17.0
94.17788	15.4
96.96004	38.2
101.02418	29.1
116.92838	30.2
121.02940	23.0
126.36328	16.1
145.02917	24.9
241.00735	15.2
565.28424	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	567.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.7
59.53481	1.7
71.01383	15.2
71.62304	2.9
72.99299	4.6
73.02953	2.3
75.00848	5.0
83.01369	8.1
85.02940	3.4
87.00870	21.4
89.02452	3.6
96.95996	17.9
97.02931	2.6
99.00886	2.9
101.02446	3.8
108.02147	2.5
109.02937	18.1
111.00869	12.8
113.02441	6.3
113.99573	5.9
115.00363	47.9
119.04988	4.1
122.03681	2.9
123.04494	10.5
125.02416	7.2
127.00335	2.5
133.02907	5.0
135.04463	11.6
137.02388	4.2
139.00371	17.8
139.03938	2.9
147.04514	3.1
149.02417	5.4
149.06049	3.9
150.03192	8.1
151.04028	1.8
155.03456	3.6
156.00645	17.7
157.01418	36.7
161.02477	5.2
161.06061	2.1
163.03947	6.7
165.01857	2.5
165.05515	2.6
167.25882	2.1
174.01701	20.8
174.03177	3.3
175.02493	47.3
175.03908	4.7
177.01888	5.2
177.05472	3.6
187.03889	4.0
191.03474	9.8
191.05138	1.6
193.05038	41.4
194.05428	2.4
195.06590	4.1
201.01933	4.3
203.03540	3.5
203.07115	4.9
205.01302	2.5
205.05101	3.1
206.02167	6.9
207.06595	18.2
210.03833	1.8
218.02232	3.2
219.02873	3.3
219.06592	3.0
223.06056	6.2
231.06609	2.4
233.04475	30.5
234.05269	17.3
245.08167	4.6
247.02376	2.3
247.06013	5.3
251.05580	8.4
275.05414	5.0
279.05081	5.1
279.08615	4.4
289.07162	35.3
307.08200	100.0
308.08600	4.5
309.06046	5.8
378.07944	1.9
413.10901	4.1
437.54022	2.0
451.12323	4.7
469.13452	68.2
470.13956	2.9
471.11444	30.5
481.10080	2.2
495.11450	6.4
513.05206	3.4
513.12445	51.7
514.12567	4.7
531.13312	5.8
567.11871	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	565.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	64.4
61.98823	55.7
63.69827	26.4
77.45840	27.6
90.64512	31.4
96.95994	39.3
98.19851	70.4
98.34402	26.5
113.80326	28.9
116.01572	25.4
116.92873	72.5
126.50184	25.1
136.86548	29.9
137.09746	68.2
254.85631	100.0
269.07162	66.9
427.05585	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28001	0.9
58.00587	2.4
59.01373	43.3
68.14971	0.8
71.01376	24.8
71.63123	1.5
72.99308	3.3
73.02946	1.2
78.52718	0.7
83.01370	2.3
85.02945	4.8
87.00895	2.2
89.02436	28.5
89.02989	1.5
95.01390	2.3
96.96024	3.8
98.20631	0.8
99.04514	5.6
101.02429	13.1
107.05038	1.0
111.04514	1.0
113.02422	9.9
113.03107	0.8
119.03479	10.7
124.05283	1.3
125.02408	1.0
125.06054	0.9
133.10266	1.4
135.11778	5.2
143.03499	2.0
149.04700	1.0
149.06000	0.9
153.25746	0.8
161.04543	4.1
161.09689	6.9
165.05692	0.7
175.02518	1.0
179.05591	8.6
179.07076	1.4
179.10750	43.5
180.11087	1.4
193.12291	1.1
205.08589	1.3
223.09724	100.0
224.10031	2.9
265.10776	5.5
325.12903	0.9
352.39200	0.9
359.17090	3.2
385.15033	20.6
386.15372	1.2
403.16037	76.4
404.16412	4.6
479.06552	1.3
495.61246	0.8
565.21509	16.9
566.21448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1572
Annotation	3,6,7,2',4'-pentamethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.84425	0.5
55.01883	0.7
55.90623	0.5
56.30198	0.5
57.03435	1.7
59.01091	1.1
59.01374	14.3
61.01001	0.6
68.99783	0.6
70.08798	1.0
70.09181	0.9
71.01372	9.4
72.99284	2.3
75.00863	1.9
83.01363	2.8
85.01008	6.4
85.02943	5.8
87.00868	2.3
89.02438	5.1
95.01346	0.9
95.05022	1.8
97.02922	0.6
98.19905	0.7
99.00849	1.7
100.98805	0.7
101.02419	3.2
103.00384	1.1
111.00854	1.4
112.98801	6.0
113.02444	4.6
115.00370	0.9
115.02062	1.4
117.01916	1.4
119.03482	1.0
120.40746	0.6
125.02425	1.2
127.02029	1.3
129.01955	3.2
131.03506	0.7
136.99045	0.8
139.03975	1.1
145.01416	14.6
145.03169	0.8
147.03000	1.0
157.01434	0.8
157.03104	1.1
157.05080	0.7
169.03084	0.8
183.04767	0.6
187.04076	1.3
191.01942	1.8
205.05070	0.7
217.05318	0.6
223.04570	2.0
228.78001	0.6
263.05762	0.7
319.10242	2.2
345.09891	7.1
359.11484	1.6
360.11761	0.6
387.11047	8.1
417.12152	2.7
425.11069	0.7
473.11234	1.7
530.57019	0.7
533.13177	8.8
565.15771	100.0
566.15942	6.4
566.22302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1578
Annotation	3,6,7,2',4'-pentamethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01875	0.8
58.00584	0.7
59.01374	11.6
68.99831	0.8
70.61802	0.4
70.62115	0.8
71.01381	7.4
72.52197	0.5
72.99300	1.7
73.02939	0.8
75.00861	2.5
83.01383	1.5
84.01402	0.5
84.99337	0.5
85.01014	5.1
85.02940	2.4
87.00869	0.8
88.98802	0.9
89.02441	3.7
95.01421	0.7
95.05023	1.2
99.00884	1.2
101.02442	3.6
103.00361	1.3
112.98772	3.3
113.02452	3.7
115.00350	0.6
115.02097	0.9
117.01904	0.5
121.02921	0.9
124.98826	0.6
127.02052	0.9
128.13243	0.4
129.01886	0.9
139.02031	0.5
139.03937	0.9
142.99803	0.6
145.00365	0.6
145.01411	6.1
145.03059	0.6
157.01346	1.6
157.05037	0.5
160.91348	0.4
187.02525	0.7
187.04095	0.9
195.40208	0.5
205.05290	0.7
223.06377	0.7
263.05707	1.2
327.09268	0.5
345.09940	10.3
350.56570	0.6
359.07651	0.8
359.11484	1.4
387.11279	1.6
417.08499	1.8
429.12201	0.9
473.11035	0.9
533.13525	2.1
565.15790	100.0
566.16211	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	565.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45951	0.9
57.03447	4.4
59.01092	1.2
59.01379	22.0
61.98819	4.2
65.00317	7.4
68.99799	1.3
69.34931	3.0
69.35349	6.3
71.01376	8.9
73.02932	2.9
81.03433	2.0
82.72536	0.9
83.01381	8.5
85.02944	4.0
87.00878	3.5
87.04497	2.2
89.02451	6.5
91.01932	1.0
93.03463	3.2
94.33835	1.1
95.01378	1.6
96.96002	7.5
97.02917	1.2
99.04507	2.5
101.02441	3.7
103.00374	1.5
103.50195	0.9
107.01376	12.0
109.02931	8.2
111.04503	1.6
113.02440	4.4
113.99570	4.5
116.92844	4.9
117.03424	2.4
119.01378	1.0
119.03526	1.7
119.05021	1.9
121.02956	3.1
123.00923	1.5
123.04532	2.4
124.01655	1.4
125.02434	44.0
131.01393	1.9
131.03481	1.5
133.05066	28.0
133.06581	1.3
135.04530	8.1
136.99123	1.0
137.02455	14.1
139.03993	4.9
140.56143	1.0
145.02934	5.5
147.00882	10.2
149.02390	2.6
151.00357	52.9
151.03960	1.8
152.00842	1.9
152.49005	1.0
153.01921	24.9
161.02408	2.5
161.04536	1.4
161.05949	1.4
163.03986	3.0
165.01906	6.4
167.03485	2.5
169.01367	1.4
175.00343	40.9
176.00938	1.0
177.01915	4.0
178.99844	17.4
179.03473	4.1
181.01360	11.7
189.05704	1.1
191.03497	8.7
191.05357	1.7
193.01395	100.0
194.01701	3.2
195.03011	2.0
197.94315	0.9
205.01410	1.8
205.04996	2.3
207.13890	3.1
209.04417	1.4
209.11859	8.0
211.04051	1.0
215.03554	6.9
219.74132	0.9
229.01445	2.3
229.04970	2.1
233.04613	1.5
235.06009	1.2
239.05611	3.5
241.08643	2.4
243.02940	1.5
251.12999	1.7
255.02866	1.3
257.04495	4.1
269.13919	32.4
277.12531	1.0
283.02438	1.8
284.03302	1.5
285.04068	1.6
291.05182	1.9
299.07568	1.9
301.03555	17.2
302.03967	1.4
319.04568	37.1
320.04807	1.3
341.23257	1.0
343.21429	1.3
397.11380	4.4
403.14001	1.8
403.23410	2.0
406.94775	0.9
425.10846	19.5
426.11282	1.2
427.12311	4.8
467.22546	1.8
469.20770	3.2
505.21552	1.1
547.14490	19.4
565.15784	4.1
565.24585	27.1
566.24994	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68397	0.2
59.01374	1.9
61.98837	0.3
70.93755	0.5
70.94109	0.2
71.01377	1.8
73.02946	0.4
78.45324	0.2
85.02949	1.1
89.02433	0.7
96.95972	0.3
99.00867	0.2
101.02415	1.2
113.02461	0.5
117.03455	28.1
118.03801	0.6
119.05015	9.1
120.05325	0.5
121.02967	0.3
121.37536	0.2
124.78017	0.2
133.02852	0.3
136.08948	0.2
142.45898	0.2
145.02937	100.0
146.03291	2.6
161.02538	0.5
161.06070	0.5
163.03987	12.3
164.04347	0.5
205.05023	0.5
262.59119	0.2
287.26288	0.3
351.28384	0.2
423.89926	0.3
439.05188	0.2
563.28503	68.4
564.28833	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	563.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96992	0.2
59.01366	2.3
61.98833	0.5
67.94563	0.2
69.51380	1.6
71.01377	2.1
73.02959	0.5
83.01366	0.3
85.02947	1.2
89.02457	0.4
93.03453	0.8
98.80611	0.2
99.00855	0.3
101.02428	1.5
109.02945	0.2
113.00517	0.2
113.02431	1.0
113.09868	0.3
113.11321	0.2
117.03449	28.6
118.03810	0.7
119.05013	9.8
121.02962	0.8
135.04434	0.4
145.02931	100.0
146.03250	3.1
160.56609	0.2
161.06104	0.3
163.03983	13.0
164.04340	0.4
191.05577	1.2
205.05173	0.3
263.59988	0.2
275.10654	0.2
275.93491	0.3
284.10959	0.3
306.93393	0.2
308.99518	0.2
503.32233	1.3
563.28503	65.0
564.28864	6.5
589.44171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	19.8
57.03731	0.9
58.98805	0.5
59.01371	6.9
61.98819	1.8
63.02399	3.4
65.00311	5.4
67.01885	1.2
69.70925	2.7
71.01382	2.4
73.02939	1.5
80.01434	0.6
81.03455	1.7
83.01382	7.7
85.02943	1.9
87.00883	1.6
88.98777	0.9
89.02464	1.4
90.81195	0.6
93.03452	2.1
95.01383	3.2
96.00322	0.6
96.95997	13.2
96.96936	0.8
101.02437	1.3
101.06082	2.9
101.16664	0.6
107.01375	10.3
109.02924	7.6
111.00867	1.3
111.04497	0.8
115.07641	2.6
119.05019	1.0
121.02956	4.0
123.00874	7.4
123.04527	1.3
124.01650	7.3
125.02431	100.0
126.02768	1.8
134.03732	0.7
135.04526	3.6
136.05296	0.6
137.02429	16.8
137.03470	0.8
139.04004	8.0
145.02931	2.2
147.00807	1.0
147.04517	1.2
149.02419	3.4
149.06030	1.0
150.03214	0.9
151.00352	36.0
151.04002	1.9
152.01164	8.9
153.01926	18.6
155.03490	2.5
159.04526	3.1
160.01645	1.2
161.02386	2.2
162.03185	0.8
163.00380	2.1
163.04018	2.3
163.11301	2.5
164.01146	2.2
164.04665	0.6
165.01913	21.7
166.02657	1.7
167.03487	19.0
169.01424	1.6
171.04451	0.8
171.10228	0.7
173.02411	1.3
175.00349	6.0
175.02585	0.8
175.03987	3.3
176.01109	1.1
176.04646	0.8
177.01932	4.0
177.05513	1.3
178.99843	29.9
179.03378	0.9
181.01411	2.8
183.04485	1.9
185.92851	0.6
187.03978	3.3
188.04831	0.9
189.01952	2.6
189.05545	1.7
190.02727	3.0
190.99834	1.2
191.03491	14.6
191.05368	1.2
192.00667	3.1
193.01393	99.7
194.01703	3.6
195.06653	3.2
199.03990	1.0
201.05496	1.7
203.03519	1.4
204.04161	1.0
205.05025	4.1
207.02948	1.0
207.06567	1.5
208.05859	0.6
209.04517	1.5
209.08067	0.6
211.03951	2.8
213.01846	1.3
213.05502	1.5
214.02660	2.0
215.03476	6.4
217.01451	1.2
218.18697	0.7
227.03439	3.4
229.04993	1.7
231.02939	2.4
231.06551	0.8
232.03886	3.7
233.04506	9.4
235.02377	1.4
237.07704	1.2
239.03438	2.5
247.06068	2.1
249.05962	0.9
255.02933	10.3
255.05336	1.0
255.14160	0.7
256.03793	3.0
257.04501	5.7
265.07135	0.9
272.03320	1.0
273.03989	1.4
274.04492	1.0
275.05545	8.7
283.02435	40.9
284.02875	1.4
291.05145	1.0
300.02716	2.7
301.03485	10.0
302.03836	0.8
319.04562	2.8
389.18027	0.9
411.12817	2.1
413.14664	1.6
421.05951	0.8
421.11417	2.1
437.14572	1.2
439.12387	32.3
440.12827	3.4
479.15262	1.1
503.15390	1.5
521.16394	4.3
537.15930	6.4
547.05402	0.9
547.14465	55.4
548.14832	4.5
565.15454	65.2
565.23175	7.3
566.15759	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	563.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84026	0.1
55.01878	0.2
57.03442	0.3
59.01374	1.4
61.98821	0.3
69.03455	0.2
69.28001	0.7
69.28431	0.8
71.01376	1.9
73.02945	0.6
74.77983	0.2
75.00867	0.5
83.01393	0.4
85.02952	1.2
85.45017	0.1
87.00878	0.4
87.04478	0.2
89.02439	0.3
93.03474	0.4
95.01411	0.2
96.95966	0.3
97.02963	0.2
99.00859	0.3
101.02427	1.0
111.04533	0.2
113.02442	0.6
117.03454	28.5
118.03769	0.7
119.05014	13.7
120.05371	0.3
121.02977	0.6
122.80519	0.2
129.01903	0.4
145.02937	100.0
146.03276	2.9
147.04529	0.3
159.02980	0.5
161.06061	0.3
163.03992	16.4
164.04391	0.4
177.04079	1.3
177.98044	0.2
191.05548	0.5
323.07651	0.7
450.88037	0.2
563.28522	69.0
564.28851	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	563.2854
Annotation	Daechuine S10
Peak:m/z	Relative Intensity
51.85744	0.3
57.03451	0.3
59.01368	1.7
61.98824	2.0
69.03436	0.3
70.47876	1.0
71.01366	1.7
73.02931	0.4
82.40112	0.4
85.02941	1.1
89.02461	0.6
99.00858	0.5
100.70622	0.3
101.02441	1.1
109.84451	0.3
113.02451	0.4
117.03455	26.1
118.03784	0.7
119.05019	13.9
121.02964	0.6
121.60551	0.3
129.01918	0.4
139.91484	0.3
145.02945	100.0
146.03282	3.2
159.02982	0.5
161.06023	0.5
163.03999	17.0
164.04268	0.4
177.04024	1.2
191.05563	1.0
196.72676	0.3
209.11612	0.3
265.07272	0.3
381.76566	0.3
495.32980	0.3
563.28522	68.2
564.28839	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	563.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
56.25578	0.1
57.03428	0.2
59.01374	1.9
61.47380	0.1
61.98823	0.3
64.25769	0.1
67.73643	0.1
68.99797	0.2
69.28162	1.2
71.01376	1.8
73.02938	0.4
83.01369	0.3
85.02945	0.8
87.00862	0.3
87.04480	0.1
89.02440	0.5
89.03966	0.1
93.03445	0.5
95.01395	0.3
98.20686	0.2
101.02438	1.1
113.02439	0.6
116.02631	0.1
117.03455	28.7
118.03765	0.7
119.05012	9.3
121.02995	0.3
133.06583	0.1
135.04506	0.3
145.02937	100.0
146.03278	2.5
146.25656	0.1
147.04518	0.2
161.04704	0.1
161.06038	0.6
163.03993	11.9
164.04291	0.2
187.03943	0.2
187.07625	0.6
189.05627	0.2
191.05641	0.8
205.05061	0.4
211.69658	0.1
215.07034	0.2
255.19637	0.1
257.08133	0.6
265.07144	0.2
277.80203	0.1
307.08301	0.2
355.41620	0.1
371.15195	0.2
409.47653	0.1
483.16644	0.3
527.19214	0.3
535.56256	0.1
563.28503	60.3
564.28851	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	563.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96427	3.1
59.01373	16.4
61.98826	45.7
68.85697	2.9
71.01367	5.7
71.14774	2.6
71.62741	4.5
72.22175	2.6
81.03443	3.1
83.05041	7.2
89.02428	2.8
93.03428	3.0
96.45552	2.5
96.96016	5.8
101.06085	5.1
109.06577	15.2
117.03445	3.7
121.02940	6.9
133.02940	4.8
145.02950	17.2
163.11311	14.1
181.12355	4.5
191.05702	4.0
207.10248	39.1
209.11803	100.0
225.11362	18.7
227.12854	9.2
250.51109	2.7
260.51700	3.3
292.15775	3.4
299.14713	4.0
347.26071	3.4
398.32300	3.1
430.12604	4.9
473.25412	3.8
510.28806	3.6
563.27423	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	563.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.4
61.98824	2.8
68.02176	1.3
71.62607	1.5
71.63002	1.9
78.95894	40.3
78.96360	2.5
96.96967	3.6
127.47064	1.5
136.94949	2.2
152.98329	2.7
152.99568	49.2
167.69818	1.6
171.00621	13.8
199.47383	1.5
227.03191	4.4
245.04286	78.6
246.04562	1.9
253.21695	39.0
267.01263	6.9
327.03329	1.8
382.44733	1.6
384.59619	1.5
481.25659	100.0
482.25980	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	563.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
57.03435	1.9
58.00590	0.9
59.01374	100.0
60.01693	1.0
61.98819	2.7
69.03450	1.8
71.01376	50.6
71.63158	0.8
71.63557	1.4
72.01711	1.1
72.99305	4.0
73.02941	54.6
75.00848	1.5
83.01383	18.4
84.02143	1.0
85.02948	11.9
87.00876	4.0
89.02434	18.2
93.03455	2.3
95.01367	3.7
96.95989	8.1
97.02956	1.1
98.95614	1.2
99.00874	2.0
101.02434	56.6
107.91267	1.0
108.02154	3.0
109.02914	6.3
113.02438	29.5
115.85107	1.1
117.03441	1.0
119.03498	9.0
121.02947	5.6
122.03719	2.7
123.04520	4.5
125.02458	4.9
131.03505	4.7
135.04532	1.7
137.02388	1.1
143.03455	5.3
145.02917	3.4
149.04520	5.8
149.05980	1.7
155.03471	1.4
159.04474	3.4
160.05283	9.3
161.02437	1.3
161.04536	16.5
161.06024	4.6
163.03993	1.5
167.03464	1.0
171.04501	1.0
172.05295	5.5
173.04718	1.0
173.05971	4.6
174.01677	1.5
175.04053	1.0
175.07704	4.4
179.03474	1.3
179.05635	4.3
185.06076	1.0
187.07552	1.8
189.01901	1.3
189.05550	11.5
190.06355	12.2
191.05614	6.7
203.05490	1.7
205.08669	13.0
217.01421	0.9
221.06496	1.2
264.07809	1.5
281.08197	2.9
285.03851	1.2
291.48151	1.1
296.10403	5.9
301.03433	1.1
311.12817	7.6
326.11609	2.5
329.13858	3.1
341.13889	60.5
342.14182	2.8
401.15952	2.7
503.19223	24.3
503.26111	1.9
504.19821	1.6
521.20172	4.8
563.13812	3.3
563.21838	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	563.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.0
58.52124	0.6
59.01087	1.6
59.01373	23.9
61.98818	4.1
67.01891	0.8
69.03481	0.9
71.01370	8.8
71.62968	1.0
72.99306	1.2
73.02945	2.4
79.95745	0.8
83.01369	1.5
83.05030	1.4
85.02946	16.0
87.00861	4.4
89.02431	6.8
93.03446	5.5
95.01384	2.4
96.96009	6.7
97.06589	0.9
99.04491	0.9
101.02434	6.0
108.02169	0.7
109.02951	1.4
111.00838	1.1
111.04500	1.4
113.02412	5.0
117.03476	1.7
119.03483	3.3
119.04975	1.2
120.99686	4.5
123.04491	1.1
125.02425	5.7
127.03992	2.9
132.02119	4.6
133.02922	1.2
134.03729	8.4
135.04517	1.8
137.02467	2.1
139.03979	1.0
145.02902	4.8
146.08247	0.8
147.04463	1.0
149.06067	1.5
155.10776	1.6
160.01639	17.1
161.02440	4.6
161.04523	1.9
163.04001	1.8
163.11296	8.2
171.02924	1.2
171.10243	4.0
172.05292	3.6
173.04515	2.1
173.05984	0.8
175.03986	16.5
176.04602	2.4
177.01910	1.1
178.02664	1.5
179.03522	1.0
181.12245	0.9
183.13898	1.1
187.03839	0.9
189.01723	0.8
191.05589	100.0
192.05923	1.8
193.05037	6.3
197.06032	1.8
199.03938	4.0
200.04700	2.3
207.06673	0.9
207.10228	1.7
211.03899	1.2
211.13287	3.7
221.11743	1.0
227.03477	18.2
228.04222	10.8
229.04672	0.8
229.14397	2.7
235.06006	6.2
253.09247	9.1
265.07092	1.1
274.56894	0.9
283.13354	18.6
284.13470	0.9
287.09174	1.8
295.08072	2.2
301.14380	4.4
309.14935	7.5
311.12817	4.2
317.10275	2.4
325.14404	2.1
327.12564	1.5
327.16016	5.0
327.21686	23.4
328.21786	1.1
329.13852	2.4
345.17078	1.0
353.13873	8.0
371.14941	92.3
372.15256	5.9
387.16547	32.1
388.17047	1.9
482.70074	0.9
563.20483	19.7
564.21405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89394	0.6
57.03436	1.8
59.01375	40.5
61.11113	0.6
67.74481	0.6
68.99814	0.6
71.01376	18.5
71.62138	1.4
72.99316	3.9
73.02929	1.9
74.02787	0.7
75.00867	10.6
83.01369	1.8
85.02942	15.7
87.00880	4.7
89.02438	9.3
95.01369	2.2
95.20544	0.6
96.95977	2.6
97.02944	0.6
99.00867	4.9
101.02439	6.6
103.00345	1.1
113.02437	18.5
115.00352	1.1
117.01912	1.2
119.03488	1.9
125.02397	1.2
131.03477	2.3
152.99367	0.7
157.01376	0.9
161.45036	0.7
163.11247	2.7
173.04521	2.1
175.02390	2.9
207.10229	5.2
284.77499	0.6
313.63583	0.6
387.16541	21.6
388.17078	1.7
501.19778	0.9
545.18805	1.1
563.19727	100.0
564.20087	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	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61695	0.8
57.03432	1.6
59.01376	45.2
61.98829	4.9
69.97092	0.8
71.01382	11.4
71.63141	1.2
72.99296	1.8
73.02921	2.1
79.95722	3.0
83.01374	1.1
85.02945	6.4
87.00868	4.3
88.98775	0.9
89.02438	11.1
93.03442	3.5
96.96001	66.9
98.95576	1.6
99.00903	1.5
101.02428	8.9
109.02919	1.8
111.00872	8.0
111.04500	0.9
113.02445	5.4
117.03441	2.6
119.03463	4.0
119.04999	2.0
121.02927	2.9
123.04500	1.6
125.02431	6.3
127.03983	1.0
132.02145	6.8
133.02945	4.6
134.02759	0.6
134.03725	15.0
135.04506	2.2
136.01590	0.9
137.02417	2.0
145.02919	5.6
147.04497	2.5
148.05276	1.2
149.06026	3.6
151.03966	1.2
160.01637	28.7
161.02414	10.5
163.03999	1.8
163.11270	32.9
164.11569	1.1
171.10071	0.9
171.52699	0.7
173.00894	1.2
175.03978	32.9
176.04680	3.6
177.01921	4.4
178.02666	1.6
179.03450	2.4
179.05574	0.8
189.01811	1.0
191.05585	21.4
191.07120	3.5
193.05045	13.6
205.05095	0.8
207.06613	1.5
217.01401	1.7
235.06097	6.7
283.12985	1.0
284.03201	1.0
285.03894	1.3
295.08212	1.9
299.05423	1.6
327.15729	1.0
327.21875	1.1
353.13766	2.0
354.91190	0.8
369.15424	1.3
371.14917	5.2
387.16553	100.0
388.16913	6.4
401.15833	2.2
449.20297	2.2
489.17786	1.1
503.19293	1.2
531.18689	1.1
563.21161	50.6
564.21680	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52210	0.5
59.01371	100.0
59.97549	0.5
61.98814	1.0
69.58228	4.0
81.95950	0.5
96.96030	0.7
109.27132	0.5
151.38599	0.5
190.74686	0.6
209.11862	1.9
237.54608	0.7
303.53030	0.5
530.33276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96687	0.3
51.06252	0.4
53.69603	0.4
54.11936	0.4
57.58721	0.4
58.49518	0.4
59.01374	100.0
60.01714	0.5
61.98824	1.1
71.28828	0.6
81.10040	0.4
96.96012	0.5
111.29991	0.4
120.33175	0.4
155.92412	0.4
313.25308	0.4
350.30972	0.4
377.62561	0.4
457.28802	0.4
476.94452	0.4
477.03183	0.4
529.28394	0.5
561.31299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89462	0.3
59.01375	3.8
60.01686	0.2
61.04838	0.2
61.98823	4.8
70.47704	0.9
71.01380	3.0
73.02938	1.1
75.00867	0.2
83.01384	0.5
83.34179	0.2
85.02943	1.6
85.06589	0.4
87.00906	0.3
89.02447	1.2
93.03451	0.3
95.01379	0.4
96.96004	1.3
97.15764	0.3
99.00944	0.3
101.02421	1.6
113.01717	0.3
113.02412	1.8
117.03454	29.8
118.03790	0.7
119.05011	11.4
120.05376	0.2
121.02947	0.7
123.04509	0.5
125.02418	0.4
133.02942	1.0
133.06572	0.6
137.02370	0.4
145.02934	100.0
146.03284	2.5
147.04492	0.5
161.02403	1.7
161.04579	0.6
161.06052	1.1
163.03990	11.8
164.04289	0.3
171.10222	0.6
177.05550	0.6
187.04002	0.3
189.05661	0.2
205.04991	2.1
209.11890	0.3
224.12177	0.2
235.06169	0.7
265.07153	1.0
391.60010	0.3
417.11551	0.3
457.24841	0.2
475.19638	8.4
476.20047	0.8
491.22943	0.6
543.25916	6.4
544.26453	0.4
561.26935	58.3
562.27203	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	561.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45520	0.2
57.03439	0.5
58.00590	0.2
59.01372	8.1
61.98834	2.7
70.37985	0.9
70.46754	0.2
71.01373	4.7
72.99310	0.5
73.02934	1.2
75.00861	0.6
77.82002	0.3
83.01387	0.6
85.02923	1.9
87.00887	0.4
89.02438	2.7
93.03432	0.4
95.01388	0.6
96.91888	0.2
96.96001	1.1
97.02943	0.4
98.95601	0.5
99.00892	0.7
100.27773	0.3
101.02433	3.7
105.12512	0.3
108.43271	0.2
109.02930	1.6
113.02430	2.6
117.03458	30.2
118.03802	0.7
119.03522	1.0
119.05016	11.9
121.02968	1.2
123.04527	0.5
125.02448	0.5
129.01900	0.3
133.02954	0.8
133.06578	0.7
145.02939	100.0
146.03256	2.9
159.03006	0.4
159.67300	0.3
161.02428	1.1
161.04547	2.8
161.06062	2.9
162.03220	0.4
163.03993	12.8
164.04315	0.3
171.10208	0.4
175.03996	0.4
177.04019	0.8
177.05559	1.0
179.03502	0.3
179.05679	0.5
191.05659	0.3
205.05034	4.7
223.08170	5.2
235.05975	1.5
262.44122	0.3
265.07138	3.3
271.08173	0.6
293.17664	0.6
323.07816	0.7
325.23749	1.0
337.23892	0.3
355.24902	5.2
363.07156	0.3
399.23798	0.4
471.58740	0.3
481.31537	0.5
501.30719	1.3
502.31046	0.3
507.45517	0.3
561.26965	66.1
562.27295	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01377	21.2
60.99290	1.4
61.98834	0.6
62.61050	0.5
65.03955	0.5
67.01878	2.9
69.03432	1.2
71.01379	10.1
71.05006	0.6
71.62913	0.9
72.74318	0.4
72.99303	0.5
73.02945	8.5
79.95731	1.0
81.03476	0.9
83.01375	3.0
83.05017	1.8
85.02941	9.9
87.00874	7.2
88.98820	2.4
89.02457	2.6
93.03453	25.2
95.01379	0.8
96.96008	21.0
98.95580	2.2
99.00880	1.1
99.04533	1.0
101.02440	8.7
105.03473	1.2
108.02129	0.5
109.02942	3.3
111.00877	0.5
111.04513	3.6
113.02430	3.9
117.03449	1.6
119.03480	1.0
119.04987	0.8
119.96124	0.5
121.02972	1.1
123.04482	1.8
125.02417	1.7
127.03993	2.1
131.03528	1.2
131.07100	1.2
132.02171	3.2
133.02950	11.1
134.03699	1.9
135.04524	5.5
137.02434	2.7
143.03465	0.9
145.02943	4.8
149.04544	1.5
151.03957	0.6
155.03435	1.3
157.08650	0.5
160.01665	7.4
161.02452	11.2
161.04530	2.9
161.05925	0.6
163.03989	1.3
171.02953	0.8
173.04538	9.1
173.53809	0.6
174.03082	0.6
175.03992	0.9
177.01942	5.5
178.02649	1.4
178.99843	0.9
179.03499	3.1
179.07039	0.5
191.05598	100.0
192.05908	1.7
195.06598	1.2
215.03769	0.7
215.05563	3.4
221.06410	0.7
227.12830	0.6
235.07672	0.5
261.14713	0.6
263.07147	1.6
281.08292	3.4
285.04111	0.8
291.06656	1.2
293.08188	0.7
308.10153	0.7
309.07678	9.4
309.11142	1.0
311.90366	0.5
323.09183	1.2
324.09970	5.0
339.12354	12.9
340.12564	0.7
351.07169	12.0
352.07797	0.9
369.09735	24.1
370.09912	1.9
387.10925	1.0
525.24500	0.7
527.22168	0.5
561.15179	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
69.33743	0.9
71.01352	0.1
73.76778	0.1
79.95731	3.1
79.96186	0.2
80.96535	0.1
82.96068	0.1
96.96001	100.0
139.29111	0.1
182.40669	0.1
271.02576	0.1
300.02750	0.4
396.39282	0.1
456.74969	0.1
463.08942	0.4
561.20795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.3
61.98827	6.3
71.01376	2.6
71.62621	0.9
73.02951	1.3
78.95879	1.5
81.35147	0.6
89.02426	2.5
96.96001	5.1
101.02423	3.1
104.90820	0.6
106.17515	0.6
113.02441	1.8
161.04538	0.8
184.13507	0.7
235.08215	1.8
253.09280	15.3
254.09619	1.0
263.20117	100.0
264.20456	4.9
277.21692	2.0
452.40945	0.7
474.26135	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	559.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96596	0.6
57.03461	1.0
61.98822	1.5
71.01379	13.3
71.62943	0.8
71.80447	0.5
74.34673	0.6
80.19733	0.5
81.07085	4.2
83.05015	1.2
87.48530	0.6
88.57616	0.5
96.95971	2.1
107.72320	0.5
117.55244	0.5
134.85400	0.6
145.02837	1.1
147.60999	0.7
191.05539	0.7
203.14366	4.7
215.14340	1.5
219.17520	16.7
231.17514	16.3
232.17812	0.8
245.19151	1.6
285.22244	0.6
287.23975	0.9
297.22220	1.2
307.79843	0.6
313.25327	21.8
314.25592	1.3
355.26266	2.5
365.28711	1.2
367.26410	4.8
379.26395	1.6
381.27905	3.7
383.29504	70.7
384.29892	6.4
395.25476	2.9
395.30106	0.9
409.27515	2.2
411.28976	19.6
412.29205	1.6
439.28653	4.2
455.27963	100.0
456.28271	9.1
483.27371	3.0
499.26996	2.3
527.26440	63.0
528.26752	7.6
559.28949	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	559.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.1
59.01374	14.9
61.98817	2.9
65.00334	0.5
67.25230	0.5
69.03451	0.5
70.37204	1.0
70.37560	1.4
71.01379	4.7
72.99278	0.8
73.02950	1.2
75.00883	0.7
81.03451	6.8
83.01378	12.5
83.05029	1.0
85.02946	1.4
87.00876	0.8
88.98785	1.1
89.02444	4.5
96.96001	10.7
97.02946	0.5
97.06561	1.1
99.04488	1.1
101.02435	3.1
101.06075	1.3
107.01371	0.9
107.05026	0.7
109.02950	0.6
113.02430	1.9
115.00370	1.0
117.03448	0.9
119.03500	1.3
120.99638	0.8
121.02938	1.7
123.00915	0.5
123.04474	0.6
123.77161	0.5
124.01662	0.6
125.02431	100.0
125.09716	0.6
126.02781	1.9
131.30959	0.4
133.02937	1.0
134.03737	0.6
135.02994	1.8
135.04523	0.8
137.02414	1.2
137.09775	0.4
138.78455	0.5
139.04004	1.1
139.07730	0.5
145.02937	2.1
146.08105	0.5
149.02402	3.5
150.03169	0.8
151.00378	2.6
151.03920	0.5
153.09204	0.8
160.01640	0.7
161.02403	1.4
161.04510	0.7
163.03969	0.8
165.05579	0.6
167.03487	0.8
169.12321	5.2
171.10204	1.3
175.02489	2.0
175.03905	0.7
177.01921	2.2
178.99886	1.2
179.05646	0.7
179.07112	1.0
182.23006	0.6
187.07655	1.6
189.05554	0.6
191.03546	0.6
191.05548	1.1
195.06729	0.6
209.15460	2.9
211.13188	1.0
215.07054	0.7
223.16992	0.5
227.16560	5.5
231.06514	1.0
233.04457	0.6
233.15421	0.7
235.13361	1.3
249.18567	0.5
251.16464	10.1
253.14528	0.9
257.08090	0.8
267.19733	1.0
269.04520	0.8
269.17496	5.6
293.17581	4.3
309.20749	2.5
311.18680	0.7
335.18454	1.5
337.16510	11.5
337.20294	1.0
338.17029	0.6
353.06525	2.0
361.16415	2.0
379.08344	0.7
379.17432	3.4
397.18582	76.4
398.19025	4.1
421.18750	1.7
439.19699	4.6
486.12360	0.5
499.21957	0.6
515.15356	1.9
523.21814	1.4
559.14606	3.2
559.23749	47.5
560.23907	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	559.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	12.0
59.01371	21.4
61.98834	3.3
65.00318	0.9
69.03451	0.8
71.01377	8.4
71.05036	0.7
72.99303	1.3
73.02948	1.8
75.00890	1.0
81.03448	6.3
83.01383	14.0
83.05035	2.3
84.31495	0.5
85.02953	2.7
87.00871	1.7
88.57912	0.6
88.98800	0.7
89.02438	7.5
93.03460	1.3
95.01381	0.8
96.95998	12.3
97.06577	1.4
99.00877	0.6
99.04528	1.9
101.02439	5.5
101.06075	0.8
101.38509	0.6
103.77929	0.5
109.02943	0.7
111.08132	0.9
113.02451	3.2
115.00372	1.4
117.03456	0.9
119.03464	3.4
121.02953	2.2
121.06532	0.6
123.04452	0.6
125.02437	100.0
126.02781	2.3
133.02968	1.0
135.02972	1.7
135.04500	0.9
137.02444	1.6
145.02939	2.4
149.02463	3.5
151.00333	2.7
151.03958	0.9
151.11389	0.7
153.01936	0.8
153.09186	1.1
161.02426	1.7
161.04588	1.2
165.05550	1.7
167.03493	1.5
169.12341	5.8
171.10229	1.4
175.02490	1.9
175.03978	1.2
177.01871	2.3
179.03442	0.9
179.05592	1.6
179.07048	0.9
187.07660	1.3
189.05676	0.7
191.05598	1.0
209.15474	3.6
211.13327	1.3
227.03612	0.7
227.16505	6.1
231.06468	0.6
233.15477	0.6
235.13297	1.2
243.02692	0.6
251.16513	9.2
257.08130	1.1
267.19574	1.3
269.17477	4.7
285.04010	0.8
291.19647	0.8
293.17529	4.7
309.20694	2.0
335.18573	1.9
337.16486	11.0
339.07257	0.6
353.06613	2.5
361.07086	0.6
361.16589	2.6
379.08240	1.1
379.17538	5.0
397.18591	78.7
398.18930	3.9
403.35760	0.6
421.18356	1.5
439.19870	3.3
515.15631	0.9
523.21857	2.4
541.22321	0.8
559.14459	5.1
559.23669	46.4
560.24042	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	559.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	12.0
59.01371	21.4
61.98834	3.3
65.00318	0.9
69.03451	0.8
71.01377	8.4
71.05036	0.7
72.99303	1.3
73.02948	1.8
75.00890	1.0
81.03448	6.3
83.01383	14.0
83.05035	2.3
84.31495	0.5
85.02953	2.7
87.00871	1.7
88.57912	0.6
88.98800	0.7
89.02438	7.5
93.03460	1.3
95.01381	0.8
96.95998	12.3
97.06577	1.4
99.00877	0.6
99.04528	1.9
101.02439	5.5
101.06075	0.8
101.38509	0.6
103.77929	0.5
109.02943	0.7
111.08132	0.9
113.02451	3.2
115.00372	1.4
117.03456	0.9
119.03464	3.4
121.02953	2.2
121.06532	0.6
123.04452	0.6
125.02437	100.0
126.02781	2.3
133.02968	1.0
135.02972	1.7
135.04500	0.9
137.02444	1.6
145.02939	2.4
149.02463	3.5
151.00333	2.7
151.03958	0.9
151.11389	0.7
153.01936	0.8
153.09186	1.1
161.02426	1.7
161.04588	1.2
165.05550	1.7
167.03493	1.5
169.12341	5.8
171.10229	1.4
175.02490	1.9
175.03978	1.2
177.01871	2.3
179.03442	0.9
179.05592	1.6
179.07048	0.9
187.07660	1.3
189.05676	0.7
191.05598	1.0
209.15474	3.6
211.13327	1.3
227.03612	0.7
227.16505	6.1
231.06468	0.6
233.15477	0.6
235.13297	1.2
243.02692	0.6
251.16513	9.2
257.08130	1.1
267.19574	1.3
269.17477	4.7
285.04010	0.8
291.19647	0.8
293.17529	4.7
309.20694	2.0
335.18573	1.9
337.16486	11.0
339.07257	0.6
353.06613	2.5
361.07086	0.6
361.16589	2.6
379.08240	1.1
379.17538	5.0
397.18591	78.7
398.18930	3.9
403.35760	0.6
421.18356	1.5
439.19870	3.3
515.15631	0.9
523.21857	2.4
541.22321	0.8
559.14459	5.1
559.23669	46.4
560.24042	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	559.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89968	0.4
57.03434	0.6
58.00132	0.3
58.74652	0.3
59.01373	9.3
61.98814	0.5
63.81711	0.3
63.96227	0.6
69.03453	0.4
69.72157	2.1
71.01376	12.6
72.99305	0.8
73.02937	1.6
78.98579	4.3
79.95731	8.2
79.96181	0.6
80.96508	53.9
81.03478	0.4
83.01395	0.8
83.65947	0.4
85.02953	3.1
87.00867	2.6
89.02437	8.1
93.03439	0.5
94.98079	12.5
95.01385	0.7
96.60368	0.3
96.96000	8.9
97.02954	1.1
98.20666	0.3
99.00867	0.5
101.02429	5.3
106.98067	2.6
109.02959	0.4
111.00826	0.5
113.02451	2.6
115.00372	0.8
119.03495	3.0
120.99611	1.1
122.97568	2.2
125.02434	3.6
125.33688	0.4
127.03984	0.5
131.03526	0.4
133.85463	0.3
134.97569	4.3
135.02979	0.4
136.99120	1.2
143.03473	0.4
148.99106	4.8
151.04053	0.5
152.98596	4.9
161.04518	0.8
164.98602	9.7
167.00200	0.5
167.03522	0.4
171.99052	0.3
175.02467	1.3
179.05624	1.5
188.98706	0.4
191.05688	0.4
206.99698	2.0
209.11804	2.9
225.00708	16.0
237.02206	0.4
285.04080	0.9
291.91565	0.3
299.04324	3.1
312.88004	0.4
339.04498	0.4
410.39471	0.3
527.17999	2.9
559.20557	100.0
560.20947	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	559.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.1
59.01370	11.5
61.98824	23.9
63.59761	1.3
69.03448	1.9
71.01370	8.3
71.63201	1.7
73.02927	2.8
81.03445	2.6
83.01376	7.7
83.05013	4.3
85.02930	2.6
87.00865	5.2
89.02418	3.1
93.03466	8.5
96.95996	16.3
97.02941	2.6
99.04502	1.4
99.33089	1.2
99.76880	1.4
101.02421	4.6
107.05037	2.6
109.02936	7.7
111.04507	11.2
113.02439	2.4
115.00354	4.4
117.03416	2.3
119.03586	1.8
119.05042	1.4
120.73733	1.2
121.02905	4.6
122.03738	1.4
124.01646	2.6
125.02434	58.0
125.81646	1.4
127.30036	1.3
133.02924	5.6
135.02942	1.9
135.04504	1.8
137.02431	100.0
138.02748	3.1
139.03989	3.2
145.02890	7.3
146.03677	5.9
149.02397	5.3
150.03146	1.8
151.00395	1.8
151.03992	9.1
151.77740	1.2
159.04491	3.4
160.01631	1.7
161.02426	7.4
162.12828	1.2
163.03999	2.4
164.01132	4.9
165.01932	16.1
167.03485	4.1
171.06645	1.6
172.05295	2.2
173.06023	3.9
174.06741	1.6
175.02437	11.6
175.03931	3.3
175.07619	10.1
176.04588	1.4
177.01874	3.8
179.03481	2.4
179.05472	1.4
183.04507	3.3
183.10161	3.6
185.06039	4.3
185.09618	2.0
186.06677	1.4
187.07668	10.3
187.09326	1.8
188.04749	2.2
191.03569	2.1
192.04228	4.9
197.56654	1.3
199.07648	1.4
200.04756	6.4
201.05577	7.6
201.09238	3.2
202.06363	7.0
203.07123	4.5
205.08699	1.6
211.07487	1.7
213.05505	5.3
214.06346	2.3
215.07066	4.5
217.08646	4.3
223.07565	1.9
227.03447	4.0
229.04976	1.9
229.08655	20.0
231.06540	1.5
231.10268	2.4
231.80647	1.6
239.03416	3.1
240.04297	1.6
241.04961	2.5
241.08633	17.9
242.02168	1.8
242.09419	1.8
243.06364	3.3
243.90308	1.3
245.08261	1.9
247.09660	3.0
251.07079	1.9
251.82208	1.4
259.05969	1.5
263.10803	1.4
266.02295	3.1
267.02771	2.9
269.04474	2.8
270.01675	1.3
270.05273	1.7
271.02502	1.3
281.11652	3.5
283.09747	2.7
294.09024	2.5
298.01096	1.7
299.01822	1.4
299.12750	1.9
320.06796	3.9
323.13031	2.7
324.09991	1.9
325.10709	4.9
349.10815	16.3
350.11346	2.5
367.07526	2.3
367.11826	31.9
368.12366	4.4
369.13333	2.8
376.70663	1.6
385.12796	13.1
393.09729	3.7
397.09003	1.8
399.37204	1.5
411.10867	6.1
443.15048	6.1
469.12714	6.5
487.13950	4.2
496.22729	6.2
505.15115	3.0
523.22382	2.5
550.74683	1.6
559.14276	7.7
559.25848	2.2
559.30963	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	558.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21210	0.4
56.88704	0.4
59.01368	0.9
61.43789	0.4
61.98823	100.0
71.62537	0.6
94.42924	0.4
96.96015	2.6
98.17037	0.4
175.51514	0.5
255.82706	0.5
407.72256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
71.62476	1.2
152.41199	0.7
173.59479	0.6
177.75517	0.6
334.59952	0.7
376.23822	0.7
496.23779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40525	0.2
70.41837	0.3
79.95732	2.7
80.96510	0.6
93.69544	0.1
94.98076	0.2
96.95999	100.0
97.95934	0.2
124.32551	0.1
134.90460	0.1
143.34492	0.1
211.98860	0.2
223.34396	0.1
225.00774	0.2
285.03967	1.2
302.61957	0.2
411.52322	0.2
461.07379	0.7
559.20514	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01175	0.1
57.03439	0.3
59.01086	0.3
59.01374	3.7
61.98817	1.4
71.01369	2.2
72.99285	0.3
73.02906	0.2
78.95904	0.2
79.95731	2.9
85.02930	0.6
87.00860	0.4
87.04482	0.2
88.98793	0.1
89.02435	2.6
90.84583	0.1
93.03451	0.7
95.01395	0.2
96.96001	100.0
97.95918	0.2
98.95573	0.2
101.02428	1.2
113.02462	1.3
115.00361	0.2
117.92874	0.1
118.98079	0.2
119.03497	0.8
125.02421	0.8
126.28301	0.1
131.62535	0.1
135.02951	0.4
135.04495	0.3
137.02460	0.9
143.03467	0.3
145.02853	0.2
149.02429	0.2
151.00397	0.4
151.03934	0.2
152.04855	0.2
161.02429	0.3
161.04498	0.3
163.03952	0.2
167.03542	0.2
175.02437	0.4
175.03951	0.2
176.01230	0.2
177.01909	0.2
179.05576	0.7
191.03729	0.1
191.05635	0.4
200.43800	0.2
203.03406	0.2
208.43991	0.1
266.66150	0.1
271.02707	0.3
271.06052	0.3
287.05936	0.2
325.06940	0.2
353.06555	0.6
397.09183	0.5
415.19989	1.1
457.20773	0.3
461.10873	0.4
523.21545	0.2
531.14899	0.3
559.14612	1.5
559.25818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81431	0.2
59.01366	1.1
61.28944	0.2
61.98825	100.0
68.00802	0.2
68.42267	0.2
70.39796	0.2
71.46210	0.3
78.95885	1.2
80.96330	0.2
96.41650	0.2
99.08167	0.4
106.75933	0.2
125.09731	0.3
140.43048	0.2
141.12790	0.4
152.99600	0.4
224.06946	0.2
241.21584	0.3
255.23268	2.6
256.23608	2.3
257.23880	1.1
258.24133	0.7
269.21106	1.0
285.20642	0.3
287.22235	19.0
288.22473	0.4
409.23499	0.2
466.75189	0.2
480.31018	1.1
481.31448	0.5
482.31631	0.6
483.31805	2.3
557.44177	14.6
558.44208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58838	0.3
52.60566	0.3
53.15849	0.3
57.72315	0.3
59.01354	1.0
59.01630	0.3
61.98819	0.7
64.30854	0.3
71.19402	0.5
79.15852	0.3
93.80128	0.3
96.96021	0.4
97.06558	0.3
97.33701	0.3
99.08165	1.8
111.08136	0.4
129.09195	0.6
139.11305	0.4
141.12848	2.4
155.14391	0.9
210.68765	0.4
211.20486	0.4
241.21709	0.9
260.45148	0.3
269.21194	5.8
280.23578	0.4
285.20697	2.5
287.22235	100.0
288.22565	4.6
540.89417	0.3
557.44141	76.3
558.44434	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	557.296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53551	0.3
57.03431	0.5
59.01374	100.0
60.01718	0.8
61.98828	4.3
69.03454	1.2
69.95975	1.2
71.01376	2.8
73.02949	1.2
75.24835	0.3
85.02979	0.5
89.02433	4.3
95.05013	0.4
101.02444	2.1
111.08168	0.3
113.02420	1.6
119.03477	2.1
125.02462	0.4
139.11276	3.9
143.03503	0.6
145.03018	0.5
161.02422	0.3
161.04573	1.1
173.29106	0.3
179.05621	2.7
181.12341	0.4
183.10243	22.3
184.10583	0.7
225.11496	0.4
331.17560	2.3
380.21335	0.3
557.29871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01375	100.0
59.74918	0.3
60.01705	0.5
61.98827	8.8
69.03454	1.4
69.48660	1.7
69.49063	0.4
71.01377	2.6
71.05032	0.4
73.02943	0.9
83.01369	0.4
85.02950	1.5
89.02460	0.5
93.03477	0.3
96.96008	0.7
97.31605	0.3
98.20643	0.3
99.00881	0.4
101.02428	2.3
109.03023	0.3
113.02477	1.5
117.03454	0.3
119.03542	0.3
121.02943	0.4
123.04510	0.4
125.02379	0.5
137.02472	1.0
139.11282	4.4
143.03500	0.5
145.02991	0.4
156.65401	0.3
161.04552	5.1
179.05547	0.3
183.10245	25.1
184.10606	0.7
265.10867	1.4
267.40982	0.3
302.87451	0.3
331.13599	0.4
331.17560	11.2
332.17981	0.6
395.24301	1.3
519.26013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65036	0.3
56.72297	0.3
57.03439	1.1
57.41432	0.3
59.01374	100.0
60.01696	0.8
61.98822	8.7
63.83911	0.3
69.03452	2.1
71.01385	3.9
71.05020	0.5
71.22859	0.9
73.02957	0.5
81.03448	0.9
85.02943	0.8
87.00925	0.4
89.02438	7.2
93.03482	0.4
94.25722	0.4
95.05036	0.7
96.96010	1.1
97.02905	0.4
101.02437	2.1
113.02453	1.9
117.95361	0.3
119.03481	3.3
121.02957	0.5
123.04551	0.4
125.02455	1.2
137.02534	0.4
139.11269	6.6
143.03513	0.9
145.02956	1.1
146.03349	0.3
161.04576	1.0
163.04088	0.4
165.09120	0.6
167.03552	1.4
169.62990	0.3
179.05592	3.5
183.10243	42.2
184.10590	1.1
197.11880	1.2
225.11371	1.3
255.03006	0.7
303.09351	0.4
331.17636	3.4
381.09772	0.9
387.37915	0.3
395.24332	0.6
437.25446	3.9
463.52414	0.4
465.95493	0.4
467.26355	0.6
557.30060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03221	0.2
57.03444	1.6
59.01372	5.0
61.98844	0.8
63.02398	0.2
65.00319	0.8
69.03448	0.2
69.36031	1.4
71.01379	0.3
71.05021	0.2
73.02942	0.2
80.02665	0.2
81.03447	5.0
81.03917	0.3
83.01379	1.5
83.05016	1.1
85.06594	0.2
89.02388	0.2
93.03436	0.2
95.01365	0.2
95.05015	0.5
96.96035	0.4
97.06570	0.4
98.20557	0.3
99.08159	0.5
107.01348	0.6
108.02150	0.2
109.02903	0.2
109.06539	0.2
111.08205	0.2
113.09707	0.3
115.07586	0.1
121.02937	0.3
122.03720	1.3
123.04485	0.2
125.02436	10.8
126.02785	0.3
129.09200	0.6
135.04466	0.2
137.02438	0.2
139.03889	0.2
143.10718	0.6
145.02914	0.2
149.02390	0.9
151.00372	0.8
162.03206	0.3
167.03433	0.2
168.04282	0.3
183.10239	0.7
265.11017	0.2
269.21146	1.0
283.22800	0.2
289.21793	0.2
291.23459	0.2
307.22675	0.2
309.24350	0.8
311.22311	0.8
333.24310	1.1
334.24463	0.2
349.23816	0.3
351.25342	5.2
352.25604	0.2
353.23047	0.2
377.23260	0.6
395.24313	100.0
396.24649	7.0
401.17734	0.2
419.24310	0.5
437.25198	0.2
557.29816	1.7
558.30170	0.3
574.16687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49121	0.8
53.94781	0.8
59.01374	13.7
61.98822	36.9
69.45388	5.8
71.01375	32.4
71.05007	4.3
71.28012	0.7
73.02940	1.9
75.00874	0.8
83.01370	0.8
84.49178	1.1
85.02944	3.1
87.00855	1.4
88.04040	4.5
89.02434	6.5
89.03951	0.8
93.03448	1.5
95.01364	0.9
96.95995	9.4
99.04505	1.6
101.02447	9.0
108.02194	1.1
109.02954	2.2
113.02434	3.6
116.07172	1.2
116.92841	1.4
117.03431	2.4
119.03485	2.5
120.99618	2.0
121.02972	1.2
122.99177	1.6
123.04489	1.0
125.02417	1.8
128.07156	2.2
132.02138	4.1
133.02931	2.7
134.03726	21.5
134.04697	1.7
135.04515	1.9
137.02422	1.7
145.02901	1.5
146.08215	56.2
147.08664	0.9
149.06085	1.8
160.01634	25.6
161.02454	12.8
161.04510	1.9
163.29187	0.8
174.01962	0.9
175.03975	25.1
176.04495	1.4
191.05545	1.5
192.02936	0.8
193.05046	16.6
200.09216	1.5
263.11453	1.0
289.07138	1.5
298.11557	0.9
303.76184	0.7
308.13376	6.0
331.12949	1.3
362.14429	3.1
380.15564	100.0
381.15891	4.7
451.42145	1.0
470.16223	1.3
484.18286	2.9
531.75049	0.9
556.20331	76.9
557.20410	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33110	0.7
57.03424	0.9
59.01376	7.8
61.98827	11.1
65.00309	1.8
69.67289	5.0
71.01366	3.8
71.79166	0.8
73.02908	0.9
74.02492	0.9
75.00859	1.3
80.91679	0.8
81.57353	0.7
82.27361	0.7
83.01363	0.8
83.18596	0.7
85.02956	3.3
87.00865	1.0
93.03445	7.0
95.01389	0.8
95.05029	1.3
96.95424	1.4
96.95998	14.2
98.95577	2.5
99.00843	1.5
101.02451	0.9
107.01369	2.2
107.81766	0.8
108.02158	3.2
109.02942	7.3
113.02414	5.2
117.01917	0.8
119.04995	1.9
121.02940	23.0
122.03740	20.8
123.04543	5.8
124.01645	1.9
125.02444	5.6
129.03423	1.0
132.02142	3.4
133.02943	17.9
134.03720	10.8
135.04474	2.9
136.01643	1.9
136.05299	1.1
137.02396	2.9
145.02933	9.6
146.03740	4.0
147.04506	13.4
148.04070	1.0
148.05148	1.2
149.02423	33.0
149.06065	15.4
150.03206	71.1
151.00320	5.5
151.03857	2.5
151.47449	0.8
153.39320	0.7
154.02733	1.5
160.05280	0.9
161.02415	2.5
161.06009	5.3
162.03174	3.4
163.03960	2.2
164.04802	9.3
165.05547	82.8
166.05923	2.2
167.03537	1.4
175.02510	1.5
175.07518	1.1
177.05508	3.7
178.06200	1.1
179.07097	10.5
180.04277	2.1
181.05072	1.7
185.06149	0.8
192.02937	0.7
195.06593	24.0
196.06995	1.1
209.08044	1.0
211.07616	1.7
223.09811	1.3
229.08725	2.3
254.98105	1.5
255.06668	1.4
256.97913	3.0
297.11386	1.2
298.11908	0.9
299.12967	1.0
309.03882	1.9
313.10767	1.5
315.12143	2.2
316.13065	1.1
329.14005	3.8
338.35236	0.8
346.14096	7.0
347.14954	11.4
351.13391	0.9
360.15408	1.2
361.16510	59.0
362.16797	4.2
363.08746	2.1
381.09717	30.7
382.09909	2.4
395.16916	2.4
415.17596	10.3
463.17242	1.0
509.21735	100.0
510.22025	9.7
511.76364	0.9
521.21722	12.3
522.22388	1.3
539.14758	1.1
539.22760	10.2
540.23566	0.8
557.14044	5.4
557.23712	11.5
558.24286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2803
Annotation	Viteoside A
Peak:m/z	Relative Intensity
50.43963	0.5
51.08053	0.7
57.03439	2.8
58.00613	0.7
59.01374	35.0
61.98828	9.9
63.60998	0.5
69.03458	0.7
70.69915	0.6
71.01379	10.0
71.04999	0.7
71.63296	0.6
73.02941	1.8
76.96958	0.5
81.03449	6.0
81.47503	0.6
83.01383	2.1
83.05011	2.4
85.02959	1.7
88.98838	1.0
89.02432	2.5
93.03452	5.7
95.01417	0.7
95.05007	1.8
96.61222	0.5
96.95994	1.6
99.00842	0.8
101.02428	2.6
107.05001	1.2
108.32758	0.5
109.02961	1.0
113.02444	1.3
117.03452	27.7
118.03799	0.8
119.03547	0.7
119.05011	12.5
121.02951	2.5
122.03748	1.5
123.04507	0.8
125.02434	17.6
125.09680	1.8
127.07608	1.0
132.05823	0.7
133.02956	0.8
133.06566	1.7
134.03789	1.0
137.02425	2.6
137.06111	0.8
139.11256	1.2
145.02934	86.6
146.03258	2.6
147.04436	0.6
149.02359	1.2
151.00362	1.4
151.03947	0.7
157.05035	3.9
160.01602	1.5
161.04700	1.2
161.06049	6.0
163.03978	17.3
163.07651	1.2
165.01883	0.7
169.12357	1.0
175.03894	1.8
177.05537	2.2
181.08664	1.1
183.10243	4.7
187.07588	0.7
191.07097	0.9
193.04974	1.2
197.11746	3.1
205.05034	7.6
211.06076	2.7
225.11327	3.9
235.06036	4.2
253.08824	0.9
257.08243	1.1
265.07147	5.9
283.10516	0.6
283.22876	0.8
295.08334	0.8
303.09521	0.6
307.08063	0.7
309.20734	0.8
331.22610	0.9
349.23788	5.6
350.24338	0.8
375.21536	0.6
393.22760	100.0
394.23093	5.9
409.06531	0.6
419.13409	31.6
420.13660	1.7
447.12918	12.2
448.13525	0.9
475.19687	0.9
517.20581	1.0
519.22577	0.9
537.18713	0.7
555.18658	19.3
555.27777	3.8
556.19159	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.7
59.26145	0.6
61.98798	0.9
69.53563	4.2
71.01358	1.9
73.02944	0.6
74.57404	0.6
88.98798	0.7
91.05506	0.7
93.03433	3.0
94.03654	0.6
96.95998	10.6
105.03439	1.0
108.02129	1.4
109.02943	0.7
111.37925	0.5
113.02396	0.7
115.00361	0.7
119.05013	1.6
121.02943	6.1
122.03722	7.3
123.00912	1.0
123.04505	2.3
124.01591	0.6
125.02419	2.3
131.04962	1.3
132.02150	2.0
133.02940	7.7
134.03691	2.3
135.04504	1.7
136.01669	0.8
136.05299	0.6
137.02432	3.9
145.02937	4.0
146.03702	1.2
147.04507	13.7
148.05254	2.4
149.02434	19.7
149.06068	3.7
149.74733	0.6
150.03206	58.0
151.03821	1.9
158.03729	3.0
159.04478	4.6
160.05275	11.5
161.06070	6.7
162.03181	1.7
163.03975	3.7
164.03445	0.8
164.04773	9.8
164.40096	0.5
165.05551	45.1
166.05940	1.3
173.06030	4.8
174.06813	1.1
175.02530	1.3
175.03987	1.9
175.07622	13.6
176.04733	5.7
177.05545	8.3
178.06335	4.9
179.03471	0.9
179.07080	0.9
180.04326	3.3
191.07130	1.1
192.07950	1.7
193.08614	1.7
195.06599	21.5
227.07111	1.0
231.06654	0.7
254.98123	6.5
256.78107	0.6
259.06067	0.8
267.06580	0.6
269.04669	0.6
270.08963	2.2
285.11267	1.9
296.10370	1.0
297.11133	0.7
315.12222	2.2
329.13907	28.6
330.14252	2.0
341.13794	0.7
393.15433	1.7
432.15668	1.9
447.18011	6.1
459.18262	2.5
462.16739	0.8
477.19116	100.0
478.19467	7.9
489.19116	1.1
507.20181	4.8
525.21271	17.8
526.21216	1.6
555.14990	4.2
555.22437	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	555.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67374	0.5
59.01376	2.0
60.99286	0.6
61.98815	0.9
68.14784	0.5
70.36881	1.0
71.01389	0.8
73.02954	1.2
79.95738	0.8
87.00851	0.7
88.98779	3.0
89.02408	0.6
93.03455	4.8
95.05054	0.4
96.96001	6.8
101.02451	0.6
105.03456	0.9
108.02190	0.6
109.02974	1.1
113.02477	0.5
117.03486	0.5
119.04993	1.0
121.02941	8.6
122.03732	13.2
123.04513	5.4
124.01667	0.6
125.02419	1.4
132.02171	0.6
133.02953	3.8
134.03732	0.8
135.04506	1.5
136.01630	1.3
137.02461	3.3
145.02931	1.2
146.03664	0.5
147.04506	3.3
148.05313	0.7
149.02428	18.0
149.05986	1.2
150.03206	97.2
151.03714	2.9
154.02710	0.4
158.03706	1.2
159.04449	2.7
160.05263	7.5
161.02480	0.5
161.06042	3.2
163.04021	2.6
164.04799	5.8
165.05547	100.0
166.05934	2.4
173.06032	1.6
175.04024	1.0
175.07611	8.1
176.04753	0.8
177.05539	3.9
178.06340	2.9
179.03539	0.5
180.04242	6.3
181.04993	2.2
191.05553	0.7
193.08727	0.7
195.06599	65.7
196.06876	1.8
253.14436	0.8
254.98068	0.8
263.88553	0.6
285.11252	0.4
290.21121	0.4
295.15372	0.6
297.11380	0.9
315.12387	1.4
316.22299	0.5
329.13901	25.8
330.14224	1.3
341.13712	0.5
375.14395	0.6
379.07556	0.5
383.15100	0.5
384.21030	0.5
393.15826	0.6
393.39880	0.4
447.18091	1.5
459.18451	0.5
472.07550	0.5
475.12613	2.5
477.19125	23.4
478.19574	2.2
507.20084	1.7
508.20383	0.5
525.21185	10.2
526.21637	1.1
555.07959	1.3
555.23077	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	555.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42192	0.7
55.01864	1.4
58.00585	1.9
59.01377	51.1
60.99297	5.3
61.98810	0.9
71.01378	38.3
71.62424	0.8
72.99306	4.4
73.02940	4.1
79.95729	1.6
83.01373	3.4
85.02956	9.5
85.33046	0.7
87.00851	2.9
88.98802	42.5
89.02435	42.9
93.03443	2.5
95.01395	3.2
96.96003	29.9
99.00893	1.9
101.02441	25.2
108.02191	0.9
109.02902	2.1
111.00883	1.2
113.02441	16.5
119.03491	14.2
121.02962	3.5
122.03717	6.8
123.00837	1.3
123.04512	0.9
124.01674	1.6
125.02425	2.7
131.03520	1.4
132.02138	0.8
133.02934	2.2
134.03708	1.3
135.04539	1.4
136.01660	1.6
137.02411	1.2
143.03497	4.2
145.02916	1.0
147.04541	1.1
149.02431	24.9
149.04393	1.4
149.06044	2.2
150.03221	48.6
151.03830	1.4
161.02452	1.2
161.04538	5.9
164.04797	5.3
165.05548	43.4
175.09729	0.8
177.05592	1.6
179.05595	17.7
180.04268	2.8
195.06607	19.1
197.28435	0.7
207.57814	0.8
212.60835	0.8
213.05554	0.9
215.07159	0.9
229.88977	0.7
271.09549	0.8
285.07550	1.0
303.05124	1.7
312.09796	0.9
327.12323	2.1
330.11139	3.9
331.11722	1.0
345.13373	16.0
346.13864	1.1
359.13602	1.7
369.26242	0.9
393.12073	1.0
507.18661	100.0
508.19028	10.3
523.77014	0.8
555.20990	37.5
556.20447	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	555.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.7
61.23844	0.7
71.01362	0.9
71.28857	1.8
75.27653	0.8
85.02911	0.8
93.03452	3.3
95.01366	0.7
95.05023	1.0
96.95990	3.1
101.02450	1.4
102.02907	0.7
108.02177	2.5
109.02962	10.6
119.04998	1.7
120.99648	4.8
121.02977	4.7
122.03737	9.5
122.99239	4.0
122.99997	1.0
123.04509	6.0
125.02433	1.5
132.02147	1.5
133.02971	6.8
134.03719	1.1
135.04524	3.7
136.01662	0.9
137.02380	1.8
137.34888	0.8
147.04504	1.9
149.02425	19.5
149.05989	0.8
150.03212	85.6
151.04008	11.1
152.04300	0.8
158.03778	0.7
159.04491	3.2
160.51749	0.7
161.04504	1.1
162.03194	0.9
163.03987	1.6
164.04778	5.4
165.05550	64.0
166.05859	1.5
173.06039	2.7
180.04243	3.9
180.91789	0.7
181.05081	9.3
189.05531	2.6
191.05615	0.8
191.07149	1.3
195.06598	39.0
203.07144	1.5
209.11804	12.5
210.17992	0.7
227.12877	1.8
240.04314	2.0
241.05026	5.6
253.09116	1.6
255.06593	3.4
267.06506	2.4
267.33932	0.7
269.08273	1.3
281.08139	1.3
295.09674	1.4
297.07724	5.0
298.08456	0.8
299.09073	4.1
311.09286	1.1
313.10773	7.3
327.12173	1.0
329.10284	1.9
340.95779	0.7
343.12024	1.3
344.12604	13.0
345.13260	2.9
347.86478	0.9
358.14102	1.0
359.14935	31.1
360.15247	1.4
401.15897	1.4
431.14740	1.3
443.14954	0.9
447.14471	2.2
461.16064	8.5
477.15543	3.7
492.17419	1.1
495.24435	1.8
507.20163	100.0
508.20508	7.3
514.23383	0.8
555.22473	16.9
556.22546	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03447	1.6
58.00582	1.7
59.01375	45.8
60.99306	12.6
61.98833	0.9
71.01380	38.4
71.62437	1.1
72.99310	5.3
73.02953	3.3
75.00871	0.7
78.95899	0.8
83.01393	3.3
85.02948	11.2
87.00887	3.1
88.98801	94.6
89.02435	41.1
93.03453	2.2
95.01402	3.2
96.96004	25.1
99.00916	1.6
101.02438	20.9
101.03069	1.3
101.85371	0.9
109.02971	3.1
113.02426	14.3
113.03127	1.2
119.03497	14.8
121.02931	5.9
122.03725	6.9
123.00871	1.7
123.04575	1.0
124.01670	1.6
125.02454	3.1
131.03519	1.7
131.09184	0.8
133.02936	1.9
134.03749	1.4
135.04506	1.9
136.01663	1.7
137.02435	1.3
143.03484	3.2
149.02429	24.8
149.03580	1.4
149.04518	1.1
149.06097	1.5
150.03212	51.2
151.03917	1.4
159.03082	1.0
161.02538	1.0
161.04553	4.3
162.03166	1.0
163.03979	1.0
164.04785	5.3
165.05548	41.4
179.05586	18.2
180.04260	4.1
195.06610	17.9
213.05583	1.6
215.07166	2.1
271.09845	1.0
285.07544	0.8
303.05020	2.0
312.10266	1.0
327.12463	2.0
330.11072	4.3
345.13419	15.3
345.17502	1.3
346.13742	1.0
353.76678	0.8
359.14194	1.3
393.11880	1.0
440.22351	0.8
507.18661	100.0
508.18900	7.7
515.34082	0.9
537.20795	0.9
555.20996	32.0
556.21490	3.0
567.76172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04924	0.4
59.01361	0.9
61.98814	1.5
63.47377	0.3
70.05355	0.4
71.22560	0.8
78.95897	22.4
80.96514	0.5
91.79759	0.5
96.96973	0.4
108.01827	0.4
108.04076	0.3
152.99583	3.0
168.04311	3.6
191.78482	0.3
224.06900	9.8
242.07907	1.4
258.60635	0.4
262.40192	0.4
279.23251	100.0
280.23627	5.8
283.96899	0.4
311.46063	0.4
434.90439	0.4
491.33615	0.9
504.30902	79.3
505.31174	6.8
541.71967	0.5
554.27295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	22.8
61.98826	0.4
69.36960	1.1
69.37370	0.5
78.95899	18.1
80.96514	0.8
96.96984	0.3
98.19920	0.4
122.98535	0.3
152.99573	2.6
168.04312	3.1
195.98576	0.2
206.36330	0.2
224.06905	7.9
242.07936	1.7
255.23270	100.0
256.23618	5.1
324.91791	0.2
385.67392	0.2
480.30890	68.2
481.31244	5.0
554.27020	0.7
564.08557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04498	0.5
57.03428	2.2
59.01373	35.1
61.98820	8.3
65.00312	0.9
69.03446	1.2
70.99007	0.6
71.01373	10.0
71.05017	1.0
72.41089	0.6
72.99285	0.9
73.02933	2.0
75.00887	0.8
79.70811	0.6
81.03448	5.0
83.01391	1.7
83.05012	2.3
85.02948	1.0
87.00878	0.8
89.02402	3.6
93.03443	6.1
95.01366	0.8
95.05012	2.5
96.95999	1.3
97.06591	0.6
101.02435	2.4
107.05014	1.5
109.02944	0.7
109.06550	0.7
111.04468	1.3
113.02434	2.2
117.03454	31.2
118.03673	0.9
119.03625	1.0
119.05015	16.3
121.02926	2.7
122.03743	0.8
123.04485	0.7
125.02433	14.8
125.09714	1.5
127.07647	1.3
133.06554	2.6
134.03745	1.1
136.27930	0.6
137.02463	1.5
139.11255	1.0
145.02934	100.0
146.03288	2.9
147.04541	1.3
149.02383	0.9
151.00328	1.4
155.07111	1.0
157.05060	3.9
159.11685	0.6
160.01672	2.1
161.04639	0.9
161.06055	6.2
163.02698	1.2
163.03995	19.8
164.04370	0.7
165.12865	0.7
168.00623	0.7
169.01410	0.7
169.12306	2.6
173.84528	0.6
175.03969	1.9
176.04808	1.1
177.05539	2.4
181.08662	0.9
183.10252	4.5
187.04095	0.9
187.07558	1.6
191.05461	0.8
193.05157	0.9
197.11801	2.8
204.56474	0.6
205.05061	8.8
211.06119	3.2
225.11281	3.9
227.09662	0.6
235.06094	4.7
253.08821	1.2
257.08078	1.9
265.07162	5.1
306.95425	0.7
307.08023	1.0
309.20636	0.6
349.23779	4.6
393.22760	85.3
394.22983	4.3
419.13397	35.0
420.13770	1.9
447.12845	15.0
448.13120	1.3
517.20557	1.5
555.18732	20.8
555.27917	2.5
556.18958	2.6
557.12195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.98819	1.0
71.46138	0.4
78.95904	6.3
85.36801	0.2
98.20487	0.2
115.98487	0.2
123.58441	0.2
146.45998	0.2
152.99568	0.7
157.18179	0.2
168.04265	1.5
209.11784	0.4
224.06886	0.9
231.18092	0.2
242.07961	2.8
261.22269	0.3
279.23264	100.0
280.23608	6.0
495.16635	0.3
504.30930	40.2
505.31229	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
58.00579	1.4
59.01374	56.6
59.42873	0.3
60.01725	0.5
61.98825	4.8
63.64131	0.4
66.36606	0.4
69.03451	3.4
69.26445	4.5
71.01373	8.7
71.04998	0.6
72.99306	0.9
73.02949	1.5
81.03429	0.4
83.01382	0.9
83.67976	0.4
84.52677	0.4
85.02930	3.0
87.00883	1.3
89.02435	5.9
92.70602	0.4
93.03468	0.8
93.07104	0.9
95.01379	0.7
95.05067	0.4
96.96014	0.8
98.20719	0.8
99.00865	0.5
101.02442	6.2
108.02160	0.6
109.02967	0.7
109.06563	1.4
111.08146	1.1
113.02442	3.1
119.03511	2.2
119.05027	0.5
121.02966	0.5
122.03697	0.4
123.08122	1.2
125.02422	1.5
125.06068	0.8
127.07665	2.9
133.02925	0.8
135.04553	0.8
137.02412	0.8
137.06055	2.8
139.04039	0.4
139.11272	6.1
145.02907	0.9
149.02415	1.0
150.03247	1.4
153.05644	0.4
155.07167	2.0
161.02475	1.0
163.04031	0.6
163.11266	6.1
165.05566	1.1
165.09233	0.5
183.10223	10.0
195.06522	0.8
197.11830	1.4
207.10243	11.0
208.01791	0.4
208.10452	0.5
225.11295	3.9
229.05086	0.5
253.04753	0.5
285.04001	0.9
297.04047	0.9
362.98093	0.5
369.15509	3.7
387.16541	24.0
388.16867	1.4
391.07904	0.8
505.18408	2.2
553.26483	100.0
554.26862	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	553.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
58.00576	1.0
59.01374	50.2
60.01727	0.5
61.98824	5.7
69.03452	3.4
69.53059	2.1
69.53470	1.1
71.01380	7.7
72.99289	0.9
73.02928	1.7
75.00868	0.7
83.01356	0.7
85.02942	1.8
87.00865	1.7
87.04514	0.6
88.98772	0.6
89.02443	4.9
93.07095	0.7
95.05032	0.7
96.95989	1.1
101.02440	4.8
109.06594	1.2
111.08157	1.3
113.02431	2.1
113.06117	0.6
119.03480	1.5
121.02935	1.4
122.03758	0.9
123.04453	0.8
123.08092	0.8
125.02402	2.1
127.07639	4.0
133.02888	1.1
135.04550	1.1
136.01633	1.2
137.02444	2.6
137.06061	3.3
137.87012	0.5
139.11261	4.9
143.99466	0.5
145.02901	0.8
147.08138	1.2
149.02437	2.0
150.03220	2.8
151.04001	1.6
155.07121	2.3
161.02454	3.3
161.04535	0.8
163.04013	0.7
163.11269	36.4
164.04730	1.0
164.11612	1.3
165.05545	3.4
165.09222	0.8
179.07191	0.6
183.10262	11.0
184.10704	0.6
190.06386	0.7
191.07076	0.6
195.06616	1.4
197.11705	2.7
207.10245	0.8
209.08154	0.8
215.80356	0.6
225.11249	3.3
240.04280	0.9
240.07976	0.6
271.09625	0.6
283.10199	0.8
287.22241	1.8
298.08353	0.5
303.12158	0.8
313.10712	1.1
343.11990	1.0
369.15372	3.7
387.16559	27.4
388.17114	1.1
424.96140	0.5
455.31747	0.5
505.18573	4.3
553.26508	100.0
554.26874	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	553.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87905	0.3
59.01376	2.0
61.98822	5.4
62.16961	0.3
65.03941	0.9
69.03437	0.4
71.01374	0.9
71.63033	0.3
81.03450	18.8
82.19796	0.3
83.05017	100.0
84.05336	1.5
93.03448	12.7
96.95998	0.8
97.02927	0.3
107.05019	1.3
109.02943	23.8
110.03307	0.5
111.04514	9.7
121.02945	38.7
122.03276	0.7
123.04513	74.5
124.04881	1.5
125.02405	0.5
127.04038	1.7
133.02950	1.0
135.04498	0.6
137.02432	32.8
138.02780	0.6
141.92662	0.3
144.93491	0.3
147.04509	8.8
149.02377	0.4
155.03487	40.9
156.03831	0.8
173.04558	0.4
209.11801	0.7
211.13376	0.8
215.07280	0.4
227.70798	0.3
270.92233	0.3
276.41034	0.3
293.08667	0.3
316.82056	0.3
317.17368	0.4
384.98196	0.3
447.12781	0.7
553.17194	14.0
553.26227	1.3
554.17328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1924
Annotation	Osthenol-7-O-beta-D-gentiobioside
Peak:m/z	Relative Intensity
57.03444	0.3
57.69901	0.2
59.01382	2.2
59.88856	0.2
60.86975	0.2
71.01377	1.9
71.62731	0.2
72.99315	0.4
73.02937	0.5
74.99109	0.2
81.58144	0.2
83.01409	0.3
85.02930	0.7
87.00848	0.5
89.02446	1.5
93.03448	5.4
95.01398	0.2
96.95996	2.4
101.02435	1.8
108.02139	0.2
109.02956	0.2
109.47440	0.2
113.02455	0.9
117.88078	0.2
119.03519	0.3
119.04997	0.4
119.57448	0.2
121.02949	29.8
122.03309	0.5
123.04514	100.0
124.04850	2.1
131.07155	0.3
136.99063	0.2
142.00418	0.2
147.04546	0.5
151.03973	0.3
161.04536	0.8
161.05835	0.2
163.04007	0.2
165.05598	1.0
166.05873	0.2
179.05563	0.7
187.85683	0.2
191.05553	0.3
195.06618	0.3
196.05301	0.3
199.07655	0.6
209.06227	0.4
211.07620	15.8
212.08008	0.7
220.16199	0.2
221.06691	0.3
225.09213	0.2
229.08664	96.6
230.08974	4.0
250.52715	0.2
263.07697	0.3
300.02478	0.2
301.03403	0.5
349.18649	0.3
353.11923	0.2
373.12796	0.8
391.13864	5.4
392.14502	0.3
393.21317	0.2
433.11398	0.5
463.08685	0.9
493.22806	1.8
553.15375	0.3
553.24091	0.3
553.31921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
60.99299	0.4
61.98825	1.8
70.04694	1.3
71.01364	2.3
71.20386	0.3
72.99305	0.6
73.02930	1.0
74.99100	0.4
75.00880	0.9
82.23004	0.3
83.05034	0.6
85.02918	1.4
87.00874	0.8
88.98795	2.1
89.02451	2.1
89.99193	0.3
91.25716	0.3
93.03468	0.9
96.96017	2.8
97.02937	0.4
97.06584	0.3
99.00943	0.4
101.02434	2.3
108.02177	0.3
109.02961	0.7
113.02438	1.3
117.03455	1.0
119.03603	0.6
119.05016	11.7
120.99644	100.0
121.99943	1.0
123.04520	0.5
125.02411	1.0
135.04529	0.5
137.02448	1.4
145.02937	5.4
146.03358	0.9
147.04672	0.4
149.02443	0.9
150.03203	1.0
151.03999	0.5
152.01151	0.3
153.05524	0.5
161.02362	0.8
161.04549	0.4
161.13335	0.5
163.03990	6.6
164.04424	0.6
165.05508	1.2
175.03966	0.3
176.04837	0.4
177.05609	0.4
179.03465	1.3
179.05585	0.7
179.07072	0.5
181.04999	0.4
187.07591	1.2
189.05560	0.4
191.05632	0.3
194.05783	0.7
195.06485	0.6
201.11284	0.9
202.11575	0.5
205.12294	1.0
209.08160	1.2
215.07109	0.5
231.06601	0.5
241.31215	0.3
249.11148	0.6
257.08154	0.4
272.01761	0.3
285.03867	0.5
295.10211	0.4
296.11789	0.3
297.03882	0.3
307.08081	0.7
325.09070	1.0
343.11624	0.4
373.25717	0.5
391.08282	0.9
391.13611	0.6
391.19092	0.5
391.26852	0.7
429.17847	0.6
431.13422	5.3
465.11932	1.3
493.22595	0.8
505.18134	0.4
509.15927	0.4
535.18762	0.4
552.23914	0.6
552.30865	1.3
553.13538	12.3
553.24072	0.9
553.31543	3.3
554.13702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	0.8
59.01374	14.7
61.98830	3.8
61.99089	0.6
69.60212	0.5
71.01379	2.8
81.19997	0.6
85.02940	0.6
89.02432	2.2
101.02437	1.9
112.39233	0.6
113.02445	1.1
119.03503	0.8
161.04494	1.6
215.02235	0.6
220.15561	0.5
235.08124	3.0
243.07126	0.6
253.09261	14.2
255.23267	100.0
256.23593	4.7
267.47266	0.6
491.32077	0.8
512.92859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45176	0.2
59.01378	1.4
61.98820	0.7
64.40423	0.2
70.74322	0.3
70.74654	0.5
71.01365	0.3
72.48147	0.2
78.95896	7.3
83.05019	0.3
111.09560	0.2
152.99527	1.3
168.04292	1.9
187.27737	0.3
224.06789	1.4
233.22667	0.6
242.07979	3.2
259.20691	0.5
275.20056	0.4
277.21680	100.0
278.22061	5.7
306.98410	0.3
353.22751	0.3
502.29346	46.9
503.29657	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	552.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52665	0.3
59.01381	1.6
59.22881	0.3
61.98822	1.7
71.01369	0.4
71.42001	0.4
78.95894	28.4
82.40515	0.4
96.96938	0.6
110.59858	0.3
118.17844	0.3
134.98483	0.4
141.13214	0.4
152.99579	3.6
168.04283	4.9
175.37878	0.4
194.05739	0.5
207.89348	0.4
224.06886	11.7
233.22762	1.0
242.07881	2.9
253.21733	0.7
259.20593	0.6
275.20331	0.5
277.21677	100.0
278.22003	5.6
373.20139	0.6
384.00433	0.4
502.29337	96.7
503.29575	7.5
552.25629	0.5
553.25763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
71.31631	0.5
87.97771	0.2
97.92167	0.2
102.83336	0.2
129.27022	0.2
147.66345	0.2
207.17084	0.3
237.40399	0.2
289.51785	0.2
313.22421	0.2
489.35706	3.3
490.36111	0.3
552.35736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69996	0.7
52.77291	0.7
59.01374	4.5
60.99304	13.8
61.98818	1.0
71.01366	2.7
71.63391	0.8
73.02944	2.0
74.99080	1.1
83.01397	0.9
85.02962	2.2
86.26575	0.8
87.00853	1.3
88.98796	71.5
89.02424	2.7
93.03445	1.7
96.95988	2.8
98.95572	1.3
101.02414	2.3
113.02425	1.8
121.02938	3.0
123.04511	5.5
125.02458	1.0
143.40363	0.8
145.02962	0.9
148.01691	1.1
151.00351	8.6
163.00345	1.4
172.29062	0.8
178.99898	4.2
185.03693	0.9
202.36662	0.8
215.03412	1.2
226.02579	1.1
229.08592	0.9
237.07651	1.6
243.02979	7.1
254.02084	1.5
255.02942	15.6
271.02441	33.7
271.05368	1.7
271.33533	1.0
271.36823	0.9
272.02911	2.4
273.03821	0.8
285.09631	1.2
300.02710	73.1
301.03476	36.1
380.36154	0.8
391.13773	1.2
426.50491	0.8
463.08740	100.0
464.08966	6.1
493.22736	2.0
509.15964	1.1
553.31769	3.4
579.82904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24628	12.3
59.01380	36.9
59.81096	14.6
61.23546	14.9
61.98818	39.8
62.79061	13.5
63.88382	12.6
67.22414	18.4
69.58423	100.0
74.71281	15.0
74.93679	14.8
81.79371	12.6
96.95984	52.6
118.14334	14.3
279.23279	32.6
287.76212	18.1
374.53384	14.6
396.47610	17.4
415.18124	18.1
432.52930	16.0
551.29889	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57404	0.2
55.01870	0.3
58.00572	0.2
59.01374	9.9
61.98817	1.6
62.42998	0.2
69.95931	0.7
71.01376	2.0
71.07615	0.2
73.02938	0.6
85.02943	0.5
87.00854	0.4
87.50845	0.2
89.02432	1.9
89.96839	0.2
92.57899	0.2
95.01428	0.3
98.19926	0.2
101.02429	2.3
103.03996	0.2
113.02439	0.9
119.03500	0.5
125.02343	0.2
128.83098	0.2
130.97914	0.2
133.05034	0.4
143.03526	0.3
161.04524	0.6
172.62529	0.2
179.05472	0.3
191.05246	0.2
197.20845	0.2
235.08221	2.4
253.09253	11.8
254.09610	0.3
255.23254	100.0
256.23599	5.0
472.33545	0.2
491.32150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95777	38.3
59.01362	47.6
61.98831	100.0
71.62848	72.4
73.17303	41.5
73.33036	34.4
81.02456	38.4
83.27393	37.4
92.05817	41.4
110.57677	38.2
114.48695	36.9
117.27969	35.1
140.37787	34.4
160.98611	43.5
219.59331	39.4
263.73322	36.1
279.23218	91.4
355.62866	46.4
389.15063	41.0
447.22678	40.3
537.11310	49.8
551.30219	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
57.03435	1.9
58.00583	2.6
59.01374	100.0
61.98821	3.3
69.03439	1.4
69.55165	5.6
69.55582	3.1
71.01376	62.3
71.05014	1.3
72.01674	1.2
72.99307	5.9
73.02946	17.9
75.00845	1.2
83.01383	4.7
84.44045	1.0
85.02940	15.0
85.05521	1.1
85.31121	1.1
87.00867	5.5
88.98798	2.7
89.02437	90.6
92.00812	1.2
93.03477	1.4
95.01369	4.1
96.96017	5.4
98.19865	2.4
99.00893	2.4
101.02435	43.0
102.98553	1.7
105.09576	1.2
108.02142	2.6
109.02920	2.1
113.02443	25.8
116.92840	2.0
117.03452	4.1
119.03488	41.8
119.04997	2.2
120.99674	1.7
121.02924	10.3
125.02438	3.1
131.03481	2.8
137.02441	3.3
138.03140	1.4
143.03461	8.4
145.02965	14.9
149.04504	3.9
151.03992	1.9
152.01118	3.2
155.10811	1.2
159.02864	1.4
159.04451	2.5
161.04587	7.1
161.05797	1.6
163.03981	3.2
165.05542	1.5
173.06104	2.2
175.03976	6.7
177.05487	1.7
179.05589	21.3
187.04025	3.4
189.05608	1.5
190.06305	2.3
191.05556	1.4
191.07101	1.7
193.05080	2.1
195.06577	1.1
202.06386	1.8
205.05153	5.5
219.06628	2.1
220.07384	5.2
223.37651	1.3
235.09709	3.6
243.06503	1.2
274.77411	1.1
283.09937	1.4
285.04041	2.7
311.09259	5.7
311.12650	1.4
326.11530	3.9
341.13998	2.1
343.62537	1.2
359.14798	2.1
371.14941	30.5
371.24167	1.4
372.15005	2.4
377.68958	1.3
387.16510	4.5
389.25543	5.5
429.17511	2.0
458.66168	1.2
491.21524	7.0
533.20081	4.8
533.28772	2.0
551.21594	9.1
551.30188	41.6
552.30542	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.2
59.01363	18.9
60.35607	1.3
61.98824	16.0
71.01367	12.4
71.63687	1.6
73.02950	7.9
73.81320	1.2
74.61451	1.3
75.00843	1.4
79.95803	1.4
83.01401	1.5
85.02946	5.2
88.98815	2.6
89.02425	6.9
93.03456	5.0
95.05047	1.7
96.96007	12.1
101.02448	7.6
113.02461	5.6
115.02637	1.5
117.03455	12.0
119.05013	71.7
120.05338	1.3
121.02945	13.7
123.04528	3.2
125.02454	7.3
132.05792	5.4
133.06595	19.8
135.04536	2.2
137.02438	4.8
145.02933	82.4
145.06667	1.6
146.03284	2.9
147.04509	3.2
149.02402	8.1
149.06018	2.0
150.03185	9.5
161.02431	2.5
161.06049	51.2
162.03133	2.3
162.06390	1.8
163.03993	84.1
163.11230	3.4
164.04442	3.0
165.05507	13.8
177.01927	2.9
177.05551	23.0
178.06140	1.5
181.12314	28.7
183.10260	2.0
187.03976	2.8
195.06589	10.7
196.06853	1.6
205.05034	53.2
206.05388	2.7
217.05070	1.5
225.11284	100.0
226.11668	4.0
235.06084	40.2
236.06555	2.2
265.07126	85.1
266.07532	3.5
289.07278	1.8
325.09229	34.0
325.12933	2.5
326.09604	2.1
341.13983	6.4
389.25549	2.3
405.17566	36.8
493.20609	3.2
523.17255	1.6
551.21417	70.8
551.30627	3.8
552.21637	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03463	1.6
59.01377	25.9
61.98825	15.8
71.01382	11.8
73.02924	5.8
85.02968	3.2
89.02424	7.3
93.03423	5.5
96.95993	4.9
101.02407	6.7
107.04988	1.7
109.02923	2.2
112.98576	1.8
113.02396	3.9
117.03437	15.0
119.05022	71.5
121.02961	8.6
123.04504	2.3
125.02383	2.1
131.04956	3.4
132.05789	4.8
133.02945	1.9
133.06583	21.5
135.04491	5.0
137.02405	3.3
145.02946	83.3
146.03293	2.7
147.04518	21.3
149.05966	3.0
159.04431	3.7
161.02420	2.5
161.06062	63.2
162.03300	2.1
162.06424	2.8
163.03996	81.4
163.11209	4.7
164.04350	2.5
167.07027	2.6
177.05559	19.7
181.12344	29.9
187.03912	5.6
189.05481	4.1
205.05038	54.4
207.10204	1.7
219.06676	10.4
225.11295	100.0
226.11510	4.8
229.45439	1.5
235.06091	40.9
241.10823	7.5
265.07129	75.0
265.41229	1.8
266.07492	2.7
325.09268	28.3
378.62415	1.6
405.17575	33.8
414.41498	2.1
417.01819	1.5
453.30551	1.9
473.98349	1.7
515.23273	2.0
551.21155	82.7
552.21667	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	551.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
58.19326	0.4
59.01374	13.9
61.00997	1.2
68.99816	0.8
69.03437	0.7
70.43851	0.4
71.01375	12.4
72.99285	1.4
73.02940	0.7
74.94332	0.4
75.00876	0.6
83.01385	2.1
84.01384	1.8
85.01019	39.3
85.02950	10.1
87.00870	2.5
89.02436	9.1
95.01373	3.0
95.04997	2.1
96.96037	2.2
97.02950	0.8
99.00852	1.1
101.00502	0.6
101.02436	6.1
103.00369	0.6
103.02142	0.4
111.00873	0.6
112.98801	3.6
113.02439	15.5
115.00349	0.8
115.02066	4.3
117.01920	1.0
119.03496	3.6
125.02431	2.2
127.02068	4.1
128.63171	0.4
129.01912	0.8
132.78577	0.4
133.97229	0.5
139.02039	0.6
139.04095	0.5
143.03465	1.0
145.01424	6.4
145.03119	6.4
157.03107	1.8
157.05058	1.3
169.03088	1.5
169.11627	0.4
175.02356	0.6
183.04648	0.8
187.04181	1.4
187.69568	0.4
191.01962	0.6
205.05153	3.4
209.06599	0.5
319.10291	27.4
320.10617	2.3
344.10333	2.1
345.09943	100.0
346.10294	3.3
363.10910	0.6
372.41415	0.5
387.11130	2.5
405.36533	0.6
427.38998	0.4
447.13303	0.8
454.58026	0.4
473.03769	0.4
473.11133	0.7
480.18860	0.5
491.12021	1.6
507.15268	0.8
533.13214	5.7
551.14246	63.0
552.14587	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	551.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79544	0.8
57.03445	20.2
59.01373	11.5
59.60941	0.7
60.99293	1.2
61.98828	4.1
63.02389	2.9
65.00328	5.2
67.38906	0.8
68.99814	1.0
69.39089	7.6
71.01382	7.7
72.01736	0.8
72.81330	0.8
73.02921	2.3
75.00851	0.9
81.03439	2.3
81.37485	0.8
83.01373	9.8
85.02925	3.0
87.04491	3.8
88.98798	7.8
89.02430	4.9
93.03436	2.6
95.01353	3.8
95.23449	1.0
96.95986	4.1
101.02455	5.2
101.06056	1.9
107.01396	9.7
109.02946	7.3
111.00829	1.1
113.02430	3.7
117.03416	2.6
119.03466	1.2
119.05014	2.0
120.04570	1.0
121.02958	8.2
123.00887	6.4
123.04495	2.3
124.01661	5.9
125.02441	97.7
133.02913	3.3
133.06529	1.0
134.03680	0.8
135.00848	1.7
135.04489	2.7
137.02431	17.5
138.03171	1.4
139.04019	7.7
145.02951	7.8
147.00874	1.1
147.04456	1.1
149.02380	3.6
149.06009	0.9
150.03201	1.2
150.99144	1.6
151.00363	32.3
151.04027	1.6
152.01158	8.4
153.01924	21.2
155.03435	3.4
157.08662	1.7
159.04480	2.4
161.02444	8.8
161.04575	1.2
161.06046	2.3
162.02766	2.5
163.00331	2.8
163.04056	5.8
164.01070	1.5
164.03569	0.9
165.01932	21.4
165.05528	1.1
166.02737	1.6
167.02132	1.2
167.03491	20.4
169.01367	1.8
171.10249	1.2
175.00337	5.2
175.03940	2.4
176.01111	2.2
177.01897	6.7
177.05467	1.0
178.99844	32.2
179.03439	2.1
180.00351	0.9
181.01373	2.7
181.05037	0.9
183.04480	1.5
185.02338	1.7
185.06001	1.0
187.04048	4.5
189.01855	2.3
190.02644	4.5
191.03506	11.7
191.05434	1.5
192.00601	3.9
192.02995	3.5
193.01401	100.0
194.01665	3.9
200.82686	0.8
201.05582	1.7
201.11276	3.5
203.03407	2.9
204.04094	0.9
205.05038	7.5
207.02942	1.1
207.06511	1.3
209.04597	1.6
211.03966	2.1
213.01878	1.4
213.05533	2.4
214.02567	1.7
215.03525	7.3
227.03441	3.3
229.04977	3.4
231.02884	2.7
232.03661	3.9
233.04517	10.2
235.02551	1.5
239.03450	2.7
246.05231	0.9
247.06117	1.4
249.03958	1.6
255.02917	10.8
256.03662	3.0
257.04492	7.0
273.03967	1.3
274.04810	1.6
275.05597	11.0
283.02451	40.3
284.02905	2.2
285.04175	1.8
291.05075	6.5
300.02594	3.1
301.03452	11.6
319.04498	2.6
358.30304	1.0
371.24350	2.4
388.16702	1.1
389.17654	1.6
389.25323	6.0
397.11411	1.3
399.12817	1.4
407.09619	1.5
423.12891	1.9
425.10825	32.4
426.11224	2.7
439.25366	0.9
469.81409	0.8
489.13834	1.9
507.14911	4.3
523.14429	8.9
533.12946	58.7
533.29584	1.8
534.13531	4.3
550.29248	2.2
551.13873	79.2
551.21375	5.7
551.30865	31.0
552.14325	7.2
552.31146	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	550.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
71.17090	0.5
78.80636	0.3
98.06352	0.3
105.42065	0.3
112.50530	0.4
117.51617	0.3
118.68217	0.3
119.78597	0.3
129.33029	0.3
147.67566	0.3
192.88779	0.3
203.78264	0.3
221.40907	0.3
278.14920	0.4
320.64069	0.3
425.34155	0.7
459.45090	0.4
469.33163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1189
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
57.03429	0.6
58.80716	0.3
59.01118	0.4
59.01372	3.7
61.98830	3.1
63.02373	1.6
65.00319	1.6
65.00627	0.3
67.99286	0.3
69.81599	1.9
71.05022	0.3
72.99282	0.8
73.02944	0.4
83.01373	1.6
83.05010	0.6
85.02962	0.5
88.73434	0.3
89.02430	0.5
93.03461	0.7
95.01367	0.4
95.05046	0.5
96.96023	1.4
98.20613	0.4
99.93018	0.3
101.02425	0.7
101.98663	0.4
105.03448	0.4
107.01361	3.4
107.05044	0.6
109.02934	1.2
113.02413	0.6
113.43962	0.3
117.03473	1.0
119.03544	0.4
119.04991	1.4
121.01024	0.3
121.02937	1.9
123.04523	3.4
124.01629	0.4
125.02445	0.8
126.41399	0.3
127.03976	0.8
132.02141	0.7
133.02939	8.6
133.06520	0.3
134.03769	1.8
135.04501	1.1
137.02451	0.5
139.04030	0.3
139.07626	0.5
145.02945	2.4
147.04514	0.6
148.01656	0.4
149.02419	1.8
151.00368	6.0
151.02864	0.3
151.03992	4.9
159.04570	0.4
160.01730	0.3
161.02402	0.9
161.04422	0.4
161.06064	0.5
163.03970	1.1
163.07652	0.4
165.05525	0.4
167.03407	0.5
169.01402	0.5
171.04419	0.3
174.03087	0.3
175.03960	2.5
177.01898	1.1
179.03462	0.5
183.04478	0.8
183.10229	0.4
184.05112	0.4
185.06041	0.4
187.03897	0.6
189.05573	0.4
193.05101	0.4
197.06065	0.4
199.04019	2.4
200.04720	0.7
201.01859	0.7
205.05034	0.5
209.11873	0.4
209.15495	0.3
211.04018	1.6
212.04666	0.5
213.05519	0.7
215.03458	0.6
217.05049	1.2
219.06578	1.1
227.03453	2.5
227.51373	0.4
228.04225	0.6
235.06134	0.5
239.03551	0.7
241.05029	0.6
243.02930	0.9
246.48885	0.3
255.02821	1.8
255.06480	0.7
256.03717	5.7
257.04416	0.9
265.07166	0.8
267.02841	0.4
283.02460	1.0
284.03226	71.9
285.03995	100.0
286.04370	3.8
297.04208	0.7
299.05664	0.4
327.05051	1.3
353.23260	1.8
417.24823	0.9
429.08154	0.4
447.61197	0.3
515.32184	0.9
522.84167	0.3
551.11884	92.1
552.12177	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3064
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
57.03439	0.7
59.01383	2.0
61.98815	0.5
70.94140	0.5
71.01367	0.4
72.99310	2.8
75.00887	0.4
76.75980	0.3
87.04504	1.6
89.03411	0.3
96.96041	0.5
98.95581	0.3
117.03437	0.4
121.02957	0.6
165.42186	0.3
189.12845	0.3
271.20551	0.3
339.23190	0.4
355.26413	0.8
381.27936	0.6
385.31021	0.7
397.31015	1.2
415.31967	0.7
425.31055	0.4
427.28433	0.5
441.30273	1.7
443.31729	1.8
457.29831	0.4
459.31076	1.8
460.31653	0.4
469.29477	2.3
487.30634	3.5
505.31689	0.8
531.29633	6.3
532.29938	0.4
549.30652	100.0
550.31000	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	550.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
66.64632	0.4
71.90614	0.5
98.17046	0.4
109.99001	0.4
121.69002	0.4
129.46141	0.4
240.85875	0.4
247.05322	0.5
277.00516	0.5
417.68991	0.4
487.34180	3.4
510.98590	0.5
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
51.53885	0.1
57.03423	0.2
59.01373	0.6
61.98805	0.2
66.44913	0.1
67.65614	0.1
71.01378	0.2
71.62367	0.1
72.99310	0.2
74.99118	0.1
78.95885	0.2
79.52716	0.1
79.95731	2.6
82.95375	0.1
84.95125	0.7
85.02940	0.2
87.00867	0.2
89.02442	0.3
89.40884	0.1
93.03437	0.2
94.45341	0.1
96.96002	100.0
97.95927	0.2
101.02418	0.8
104.22970	0.1
108.26767	0.1
115.31472	0.1
119.96868	0.1
125.02397	0.2
131.42256	0.1
135.04529	0.6
135.98323	0.2
137.02454	0.1
145.01389	0.8
149.02463	0.1
151.00308	0.2
159.10242	0.6
179.00150	0.3
183.10229	0.2
191.05569	0.2
216.04182	0.1
219.17578	0.1
227.03508	0.1
241.04903	0.1
255.10300	0.5
272.03290	0.2
285.04086	0.2
300.02686	2.5
301.03467	1.8
302.03738	0.1
307.15485	0.2
455.99091	0.1
487.21979	0.2
505.09854	3.6
506.10272	0.3
549.21484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
58.00572	0.4
59.01375	7.4
61.98833	0.9
69.81499	1.9
70.74305	0.3
71.01379	4.3
72.99309	0.5
73.02938	1.8
75.00848	0.6
75.58913	0.3
81.03445	0.4
83.01408	0.8
85.02950	1.2
87.00848	0.5
89.02450	2.3
93.03462	0.7
95.01335	0.5
96.96004	3.8
98.19952	0.7
99.00898	0.5
101.02434	2.5
109.02933	0.5
109.06602	0.4
113.02449	1.6
116.92841	1.7
117.03458	24.7
118.03841	0.4
119.03647	0.6
119.05015	19.3
120.05373	0.7
121.02967	0.7
123.04517	0.8
123.08166	0.8
124.05296	1.0
125.02448	0.7
133.02992	0.5
133.06577	0.9
135.04524	0.9
139.07639	2.9
145.02940	100.0
146.03242	3.1
151.00336	0.7
151.07652	1.7
161.02461	2.8
161.04825	0.5
161.06047	2.7
163.03993	30.7
163.11252	0.6
164.04330	1.0
171.10289	0.6
177.01828	0.4
177.05544	1.0
179.03401	0.4
179.10809	1.2
191.05550	0.4
193.12283	0.7
205.05052	2.4
211.13434	0.4
216.82397	0.4
223.13455	0.6
225.11330	0.3
235.06071	0.5
241.14439	1.4
265.07172	1.2
269.13840	0.5
271.28223	0.4
281.17889	0.4
287.05530	0.6
307.08264	0.8
327.21695	0.6
371.25128	0.4
387.23782	1.1
445.24554	0.4
463.25345	1.3
468.99307	0.4
505.26401	3.1
517.14709	0.8
549.23242	74.7
550.23627	7.7
567.34052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	19.2
61.98822	100.0
69.51494	7.8
69.51909	3.0
69.61172	1.7
69.71807	1.4
71.01380	11.7
73.02924	3.4
85.02938	5.4
85.63503	1.5
89.02419	4.7
93.03415	1.5
96.95976	5.7
101.02411	6.9
109.02915	1.7
113.02401	6.5
121.02899	2.9
123.04485	6.8
133.02888	1.8
137.02434	1.8
142.23047	1.5
145.02925	3.4
147.04446	2.7
150.03107	2.2
153.05547	5.0
156.42339	1.7
161.02260	1.9
161.04521	2.2
167.03529	1.6
212.99023	1.7
489.34097	2.9
513.26917	41.5
514.27338	3.3
546.51196	2.0
549.24603	60.6
550.24750	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43627	0.7
57.03442	1.3
58.00584	1.0
59.01376	51.0
59.51469	0.7
61.98824	1.2
67.11288	0.7
69.51230	5.1
71.01377	14.6
72.99303	2.4
73.02930	4.5
79.44171	0.7
81.03463	0.7
83.01376	1.5
83.04981	0.7
85.02954	3.7
87.00874	1.0
88.98808	0.8
89.02443	13.5
95.01400	1.0
96.96004	11.5
97.06545	0.7
98.87627	0.6
98.95560	1.1
99.00872	1.5
101.02434	11.4
103.16755	0.6
109.02966	1.2
112.15435	0.7
113.02437	5.7
117.03472	3.8
119.03499	5.4
119.05006	1.0
123.04565	0.8
125.02417	2.7
132.02165	0.9
133.02943	30.3
134.03728	1.3
135.04521	5.4
137.02481	1.0
145.02957	6.6
149.06065	0.9
160.01587	0.9
161.02428	100.0
161.04579	2.6
162.02798	2.4
163.03995	1.7
163.11259	5.3
171.10219	1.6
179.03529	5.0
181.12503	0.7
195.06554	0.9
200.28548	0.7
207.10242	8.3
211.13141	0.7
215.12898	0.7
225.11334	1.6
281.06653	1.2
351.21744	0.9
354.85675	0.8
369.22656	3.3
371.24417	1.0
387.16559	77.6
387.24231	2.6
388.17114	3.4
417.24893	1.3
455.17017	0.7
463.25381	1.9
489.17453	1.0
489.23431	1.1
505.26459	3.3
533.63885	0.8
549.19843	59.8
549.29138	28.9
550.20221	4.9
550.29169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19128	0.7
54.88040	0.7
55.01860	0.9
59.01091	1.2
59.01373	21.8
59.62155	0.8
60.29580	0.8
61.88002	0.8
61.98824	17.9
71.01377	9.7
71.62919	1.1
72.99297	1.2
73.02936	2.1
74.99095	1.5
75.30422	0.9
79.95736	1.5
83.01379	1.2
85.02934	2.7
85.56551	0.9
86.54746	0.8
87.00864	1.5
88.98804	1.2
89.02425	5.3
93.03455	1.3
96.96004	26.7
101.02431	5.9
109.02946	1.2
113.02470	4.0
117.03477	6.1
119.03513	1.7
119.05022	14.6
121.02939	3.4
123.00840	1.0
123.04536	1.7
125.02420	1.7
127.04020	1.3
132.02147	11.7
133.02953	12.5
133.06567	3.5
134.03735	23.3
135.04535	5.8
137.02437	3.4
139.07634	1.1
145.02939	17.1
147.04463	3.0
148.05302	1.0
149.06049	3.0
151.03972	1.3
160.01643	66.5
161.02435	42.6
161.04639	1.6
161.06044	11.6
163.04001	14.8
167.03410	1.6
171.10301	1.5
175.03990	87.5
176.04712	6.9
177.01938	1.4
177.05545	5.2
177.68700	0.8
178.02676	2.9
179.03424	3.1
179.05721	1.0
179.07155	1.5
187.03946	1.0
191.07091	9.1
193.05031	18.6
205.05020	10.9
207.06606	3.0
209.08205	1.8
220.03761	1.0
221.08176	1.8
223.13368	1.1
229.08650	0.9
235.06097	24.8
249.11209	1.4
265.07144	22.1
272.79269	0.8
295.08145	2.5
325.09436	4.7
331.08072	1.0
334.18674	0.8
373.18488	0.9
373.59045	0.9
413.61505	0.8
429.15475	1.9
459.16626	1.1
510.02240	0.9
513.30585	2.1
517.20831	6.0
549.23364	100.0
550.23688	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	549.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26242	0.4
56.58069	0.3
57.03442	1.1
57.38657	0.3
59.01378	6.7
61.98806	0.4
69.29989	0.8
69.30391	3.2
71.01379	3.5
72.99328	0.5
73.02943	0.5
77.40240	0.3
81.03468	0.5
85.02940	1.2
87.00878	0.7
89.02423	1.8
96.96014	2.1
98.19910	0.8
101.02437	1.8
107.01335	0.4
110.70245	0.4
113.02428	1.8
117.03455	27.2
118.03745	0.6
119.03545	0.8
119.05013	21.6
120.05375	0.5
120.60772	0.3
121.03002	0.4
123.04474	0.5
123.08134	0.6
124.05311	1.0
125.02488	0.5
133.06592	1.2
134.03693	0.5
134.36006	0.4
135.04556	0.6
139.07637	3.4
145.02939	100.0
146.03276	2.2
151.07623	1.4
161.02394	0.9
161.06100	2.2
163.03989	33.1
164.04333	1.4
177.01849	0.6
177.05518	1.1
179.10783	1.0
193.05005	1.1
193.12354	0.8
205.05060	2.6
205.12360	0.6
209.27318	0.3
223.13336	0.9
225.11423	0.5
241.14490	1.3
246.06934	0.4
265.07123	0.9
307.08121	1.0
317.10458	0.4
325.59058	0.4
387.16586	3.2
387.23730	1.1
505.10861	0.4
549.23230	69.1
550.23608	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68960	0.2
57.03178	0.3
57.03441	4.7
59.01371	0.4
69.97589	0.6
69.98000	0.3
71.01364	0.5
72.01033	0.2
77.90325	0.2
78.38400	0.2
80.27278	0.2
81.03450	1.3
83.01378	5.0
85.02953	0.4
93.03429	0.2
95.04985	0.3
96.95982	1.2
97.02936	1.6
98.20583	0.3
99.00861	0.6
109.02898	0.3
113.02431	0.5
119.05026	1.3
121.02952	0.7
123.04556	0.3
124.01669	0.4
125.02431	100.0
126.02779	1.6
135.04572	0.3
137.02417	0.5
137.06042	2.1
139.03973	1.8
147.04572	0.2
149.02425	10.2
161.04514	0.6
163.03995	2.4
165.05542	1.2
167.03505	2.4
177.05476	0.3
179.03391	0.9
181.05038	2.9
187.04004	0.5
191.03445	0.4
205.05064	0.6
207.03008	0.6
209.04576	0.2
223.06113	0.3
225.04015	3.3
249.04028	1.4
267.05075	0.4
287.07684	11.5
288.07834	0.3
387.09274	43.6
388.09579	2.4
399.90805	0.2
449.12930	0.5
461.05597	0.2
549.14575	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	549.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16235	0.4
57.03438	8.8
59.01368	2.3
63.02391	0.9
65.00326	3.6
67.01896	0.5
68.39884	0.5
68.99809	0.6
69.52681	3.7
71.01376	1.7
71.98138	0.4
73.02937	0.7
81.03436	0.8
83.01374	5.8
85.02934	0.6
87.00882	0.7
87.04517	0.5
93.03443	1.1
95.01363	0.8
96.96014	1.3
97.02953	0.9
101.02425	0.6
101.06070	0.8
107.01369	6.9
108.02131	0.5
109.02940	4.8
116.92864	0.6
121.02969	2.3
123.04501	5.2
124.01671	2.5
125.02429	100.0
126.02779	1.9
131.01376	0.9
133.02899	0.6
135.04520	0.7
137.02438	4.2
139.04004	4.3
145.02965	1.2
146.03714	0.5
147.04529	1.2
149.02417	13.5
150.03210	1.0
151.00354	31.0
151.03931	3.1
152.01144	3.7
153.01920	24.2
161.02412	1.4
161.06026	0.6
163.00340	0.7
163.03934	1.2
164.85403	0.5
165.01921	1.3
166.02716	0.6
167.03436	3.0
169.01491	0.9
171.04510	0.9
173.06006	0.9
174.03175	2.2
175.00336	4.8
175.03990	10.0
176.01170	0.9
177.01910	18.1
178.02197	0.5
178.99837	16.4
179.03432	0.9
181.01395	12.6
183.04375	0.5
187.03957	0.7
188.04785	2.5
189.01872	0.6
189.05569	3.4
191.03456	1.9
193.01302	0.9
193.04941	0.7
195.02966	2.2
199.03975	5.6
201.01892	2.1
202.99777	0.7
205.01363	1.0
211.13219	0.6
213.05557	1.2
214.02512	0.6
215.06934	0.5
216.04292	1.0
217.01376	0.5
217.04971	5.4
228.72180	0.5
231.06665	1.3
241.04973	4.3
243.02878	0.8
256.03674	0.7
257.04395	1.2
259.06100	2.9
275.05576	20.6
276.05994	1.0
284.03152	0.8
285.04001	56.5
286.04364	3.4
293.01077	0.5
299.05536	8.1
303.05054	86.1
304.05362	4.4
309.03857	1.0
317.06625	0.9
327.04959	2.6
341.06683	1.2
342.02887	0.5
342.06665	0.8
397.11392	1.5
399.13348	0.6
420.18381	0.5
425.10831	7.1
426.11383	0.6
427.12399	7.4
428.13058	0.6
521.16815	3.0
531.15112	4.5
549.15961	2.5
549.29395	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	547.2907
Annotation	20-Hydroxyganoderic acid G
Peak:m/z	Relative Intensity
55.86976	0.3
57.03451	0.5
59.01378	1.4
60.99336	0.3
61.98817	0.6
66.61346	0.2
67.45898	0.3
71.01387	0.3
71.19151	0.5
71.19501	0.3
72.99297	5.2
75.00877	0.5
83.05017	0.3
84.02155	0.3
87.04492	1.6
95.05054	0.6
96.96059	0.3
97.06561	0.2
121.02988	0.3
125.06076	0.3
130.46939	0.3
132.20705	0.3
160.82014	0.3
188.35814	0.2
192.78682	0.3
203.14323	1.2
219.17499	7.7
231.17514	0.6
277.21710	0.5
305.56699	0.3
339.26974	0.4
345.36948	0.3
355.26337	0.6
355.30249	0.4
361.25055	0.4
363.26981	0.8
367.26221	0.7
369.23322	0.3
369.27966	5.0
379.26218	1.6
383.29575	1.1
385.26913	0.4
385.31305	2.0
393.28000	0.7
395.25055	0.6
395.29562	5.8
396.29715	0.5
407.25876	0.6
411.28940	0.3
413.30554	3.7
414.30933	0.3
423.28946	5.8
424.29230	0.7
441.29962	7.1
442.30405	0.8
452.60016	0.3
457.29453	4.2
458.29501	0.4
459.30954	1.2
485.28995	11.6
486.29593	1.3
503.30084	56.7
504.30457	6.1
529.27838	1.3
547.29047	100.0
548.29474	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	547.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
59.01378	10.0
61.98814	1.4
66.23465	0.5
67.01869	0.8
69.03450	1.6
71.01378	8.4
71.05008	1.6
71.62914	0.7
72.01686	0.6
73.02943	2.7
81.03449	11.3
83.01373	6.5
85.02937	2.6
87.00873	6.8
88.04033	1.1
89.02438	2.3
93.03455	3.0
95.01379	1.8
95.05012	8.6
96.96008	9.7
97.02944	4.3
97.06577	0.7
99.04514	5.3
101.02428	3.5
101.06038	1.1
105.03431	0.7
107.05032	0.6
108.02197	2.7
109.02963	2.9
109.06615	0.5
111.04528	1.3
113.02421	2.0
117.03440	1.3
119.05007	0.8
121.02939	2.3
122.03709	1.2
123.00803	0.6
123.04517	16.5
124.01643	0.8
125.02435	26.2
125.05997	0.6
133.02908	0.6
133.06612	0.6
134.03659	0.5
135.04494	3.8
137.02422	9.2
137.06061	6.7
138.03201	1.1
139.04025	3.7
139.11264	1.1
141.05522	1.1
145.02942	4.4
146.08208	5.7
147.04501	0.9
147.08551	1.4
149.02449	1.4
149.06059	0.8
150.03181	1.0
151.00352	2.0
151.03979	1.2
152.01114	1.0
153.01855	0.6
155.03444	0.9
161.02452	3.2
161.04503	2.0
161.05988	1.0
163.03940	2.7
164.01144	0.6
165.01917	4.9
165.05559	3.2
165.12903	0.5
166.02713	3.1
167.03477	63.6
168.03891	0.9
175.03957	1.7
175.07643	0.8
176.04765	4.6
177.01897	2.0
177.05548	0.9
179.03462	13.1
179.10808	0.7
180.04266	9.1
181.05132	1.2
182.10481	0.6
183.10229	2.0
187.07619	2.2
191.03577	1.1
191.05611	1.7
193.05058	1.6
194.02124	0.7
195.06570	4.5
197.04521	5.8
202.06332	1.3
205.05109	0.7
205.08670	3.3
207.02966	1.1
207.06502	0.5
208.03728	4.5
209.04526	31.9
210.04834	0.9
212.03227	2.1
221.04512	8.6
227.12842	1.3
231.10234	1.8
233.04430	0.8
239.05536	4.4
241.08577	1.5
251.05554	1.2
257.11844	0.9
259.09760	0.8
277.12854	6.3
284.03305	3.0
287.05420	0.6
288.06320	1.0
299.05490	4.7
301.06796	0.6
302.07980	1.7
323.13058	0.7
330.07376	4.8
365.14114	0.7
380.15543	2.2
381.15784	1.7
385.12671	2.0
409.12778	3.4
427.13910	100.0
428.14243	8.0
439.14059	1.0
457.15005	22.1
458.15207	1.8
469.15155	0.7
529.17566	1.7
546.25568	2.5
547.26331	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99149	0.4
59.01374	35.0
60.14500	0.5
61.98816	2.1
62.60386	0.5
71.01370	2.4
71.62504	0.7
74.48354	0.5
74.99065	0.5
81.03461	0.6
83.01355	0.6
85.02946	1.6
85.06583	9.6
87.00887	0.8
89.02462	2.6
96.96004	4.8
101.02423	1.4
113.02450	1.7
113.06076	10.3
115.00375	1.1
119.03507	1.2
120.99645	1.3
123.04514	4.3
125.02452	2.6
131.07129	100.0
132.07463	2.0
137.02502	0.7
138.03242	0.5
139.02164	0.5
145.02960	0.5
149.02544	0.6
151.03944	0.6
161.04469	0.5
167.03479	12.4
168.03903	0.6
173.08170	50.2
174.08545	1.0
179.05560	0.9
181.04951	0.6
191.03482	4.3
191.05568	1.9
202.31966	0.5
208.87483	0.6
209.04518	1.3
221.04442	0.6
329.08682	5.1
387.07574	0.8
547.18085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.01376	2.2
61.55784	0.4
61.98819	1.3
65.00330	0.4
68.91747	0.4
69.29258	3.4
70.44888	0.5
71.01377	1.3
73.02947	0.7
77.19593	0.5
81.03436	1.7
83.01374	3.3
84.56372	0.4
85.02942	0.5
89.02428	0.7
89.03944	0.4
91.01917	0.4
93.03442	1.1
95.01369	0.5
95.05015	1.7
96.96000	6.9
97.06918	0.4
98.95580	3.8
98.96249	0.7
98.96352	0.6
101.02402	0.7
103.05532	0.7
108.02176	0.8
109.02947	12.0
109.21617	0.4
117.03449	3.0
119.03455	0.4
119.05013	2.2
121.02964	2.3
122.03764	0.7
123.04510	18.7
124.04852	0.6
125.02428	18.1
126.02739	0.6
131.07190	0.5
133.02063	0.5
133.02925	2.8
135.04524	4.2
137.02455	1.4
145.02934	8.5
146.03619	0.4
147.04497	3.6
148.53407	0.5
149.02405	1.2
150.03192	1.2
151.00368	1.2
151.03973	4.4
159.04468	1.2
161.02432	3.5
161.06029	0.8
163.03954	2.2
166.02670	1.3
167.03471	21.0
168.03806	0.6
175.03922	2.1
175.07690	0.5
176.01106	1.2
176.04755	5.7
177.01904	21.2
178.02226	0.7
179.03479	4.7
187.03993	1.1
187.07658	0.8
189.01904	44.7
190.02690	7.8
191.03481	8.8
191.05421	0.9
192.03850	0.5
195.69191	0.5
201.01895	1.0
203.03479	5.5
205.04970	0.5
205.08685	5.2
215.06961	0.5
216.00613	10.0
216.02490	0.3
217.01381	30.1
218.01993	2.1
219.02934	10.2
229.01390	1.5
231.02948	7.9
232.03654	0.8
233.04407	1.1
285.04111	0.8
287.05594	1.0
297.10968	0.7
299.05566	0.6
323.05420	1.1
323.12726	0.7
327.05118	0.6
341.06601	100.0
342.07013	5.7
367.11981	0.8
385.12860	15.4
386.13132	1.0
395.11261	0.6
401.10406	0.5
419.11322	7.1
420.11398	0.7
425.14374	2.2
427.14020	1.2
437.12186	0.8
529.15173	1.1
547.15930	6.3
547.27045	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	547.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67974	0.7
55.61678	0.6
57.03421	1.5
59.01369	20.3
62.00809	0.8
65.75853	0.8
70.59450	0.6
71.01375	19.8
71.62932	0.6
72.99285	2.5
73.02947	1.9
83.01392	4.5
85.02937	5.0
85.06564	1.2
87.00864	35.1
89.02433	3.1
93.03469	1.2
96.96004	14.6
98.95569	2.6
99.00856	1.4
99.04472	0.8
101.02435	3.3
111.00868	8.6
113.02424	2.9
113.06067	1.5
115.00361	58.3
119.03488	1.5
119.04981	1.1
122.06141	0.7
125.02428	12.5
125.06077	1.2
127.00370	1.6
131.07120	14.7
137.02409	0.8
139.00351	16.1
139.01396	1.1
147.04524	1.5
149.02408	0.8
157.01404	28.3
161.04543	1.1
165.05511	2.7
173.08165	6.7
175.02452	100.0
176.02769	1.3
179.05569	0.8
191.05574	7.9
216.24306	0.6
253.07227	5.6
253.09525	1.2
267.11298	0.8
279.07559	0.7
280.08469	2.4
295.10886	8.2
296.11072	0.7
301.10800	0.9
309.12482	1.0
323.10162	1.0
325.11935	2.0
327.13470	3.8
338.08582	0.6
339.09842	3.8
353.11453	0.8
366.31592	0.8
369.11472	0.7
371.12460	12.0
372.12616	0.7
391.12848	1.3
397.10229	2.3
399.11865	0.9
401.13559	2.0
429.12964	4.6
431.14709	1.0
435.11737	1.4
443.14221	1.4
453.13531	0.9
467.14505	7.5
485.15491	9.3
486.15948	1.2
487.13528	4.2
499.13345	0.9
511.13446	0.9
529.14337	1.3
547.15100	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	545.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96414	0.6
55.01865	1.2
57.03439	1.5
58.00580	1.6
59.01375	30.2
61.98820	8.9
67.01879	0.7
69.03445	0.8
70.04106	3.4
71.00990	0.9
71.01375	14.7
72.99295	0.9
73.02928	3.0
73.80540	0.7
75.00852	1.0
83.01396	1.8
83.05034	0.9
85.02940	4.9
87.00845	2.0
89.02434	12.7
93.03446	2.9
93.07144	0.9
96.36033	0.6
96.96008	15.1
99.00852	0.7
101.01768	0.9
101.02438	13.9
109.02950	1.0
109.06570	0.8
111.04529	0.7
111.08141	15.4
113.02429	6.7
117.03443	9.1
119.03490	5.5
119.05009	2.9
121.02930	1.7
123.04498	0.7
125.02436	1.0
127.07600	1.4
131.03490	0.8
137.02417	1.7
137.09776	0.6
141.09213	0.7
143.03516	1.7
145.02940	34.7
146.03311	0.9
151.11186	1.0
153.12843	1.6
161.04573	6.3
163.03989	2.6
163.11217	0.8
169.12329	6.2
173.04582	1.3
179.05544	3.8
179.10709	1.0
181.12315	1.9
181.38776	0.7
183.10248	0.9
183.13870	0.9
191.05544	8.2
197.11810	74.4
198.12091	1.8
199.13405	5.4
211.13370	9.0
215.07085	3.1
227.12825	2.2
253.09261	47.4
254.09647	1.6
263.20175	4.9
265.07095	1.2
265.17972	2.4
273.18668	1.6
291.19629	26.2
292.19986	1.3
309.20679	100.0
310.21054	4.2
345.47458	0.8
468.17523	0.8
470.86807	0.8
485.31244	2.8
545.27643	22.0
546.28070	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	546.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82519	0.6
57.03444	2.9
59.01373	9.7
61.98820	2.7
69.03447	4.5
71.01376	28.8
71.05012	5.2
71.62914	1.1
72.99287	1.1
73.02953	6.6
81.03455	3.0
83.01376	2.4
85.02944	3.2
87.00868	2.3
87.04501	1.2
88.04036	4.9
89.02428	4.1
90.27525	0.7
93.03448	1.6
95.05019	2.6
96.96006	9.8
97.02916	1.3
98.95576	1.3
99.04524	2.8
101.02453	4.6
109.02921	0.8
111.04526	1.0
113.02446	2.6
113.06110	1.1
116.07165	0.9
117.03495	0.8
119.03507	2.2
121.02941	1.3
123.04501	3.9
124.12589	0.6
125.02438	9.2
125.09738	1.7
127.07601	0.8
128.07175	2.9
137.02435	2.4
137.06088	1.8
139.04001	1.0
139.11272	9.1
145.02934	2.2
146.08223	43.5
151.00359	1.9
151.03917	0.8
161.02425	1.6
161.04539	1.7
163.03996	0.9
165.01932	1.5
165.05603	1.0
167.03456	14.0
169.08604	0.8
170.09001	0.7
176.04669	0.8
177.01904	1.2
179.03479	3.7
180.04253	2.5
183.10254	12.4
189.36934	0.6
191.05563	3.1
197.04587	1.9
197.41057	0.7
208.03723	1.0
209.04556	6.4
218.10333	1.4
220.35698	0.7
221.04596	1.1
239.05568	1.3
243.12338	1.5
244.12744	1.7
277.12912	0.9
284.03214	7.2
285.04221	0.8
290.12497	1.1
299.05563	11.0
308.13458	4.0
316.14297	0.8
330.07339	1.4
362.14587	4.4
380.15561	21.9
381.15997	1.0
385.12473	1.1
409.12827	0.7
409.89639	0.8
427.13916	26.5
457.15115	5.5
526.68085	0.9
546.25537	100.0
547.26245	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	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95472	0.6
52.97596	0.5
53.13771	0.5
56.41554	0.5
57.03435	1.7
58.00576	1.1
59.01371	21.5
60.01699	0.7
60.99292	0.5
61.98822	9.2
67.01875	1.1
69.03439	1.3
71.01373	13.0
71.04941	0.6
72.99283	0.6
73.02960	2.7
78.40788	0.6
79.95737	0.8
83.01356	1.4
83.05019	1.1
85.02944	5.5
87.00889	2.7
89.02436	11.0
91.03947	0.6
93.03453	8.8
95.01377	1.2
96.96002	15.3
97.02913	0.6
99.00877	1.2
101.02436	13.4
109.02934	0.5
109.06567	0.7
111.04495	1.8
111.08141	13.5
112.98550	0.7
113.02437	5.9
117.03462	2.7
119.03487	3.0
119.05019	1.1
121.02910	1.3
125.02428	1.1
127.07664	0.7
134.03735	0.6
137.02438	1.0
137.09767	0.6
143.03421	1.3
145.02942	9.4
146.03346	0.8
151.11223	1.6
153.12831	1.4
155.03403	0.8
160.01630	1.4
161.04506	5.1
163.04007	0.8
167.10753	0.8
167.14317	0.7
169.12326	4.4
171.10252	1.2
173.04478	3.6
175.03973	2.4
179.05589	2.5
179.10815	1.1
181.12280	1.8
183.13925	0.9
191.05585	18.3
191.07320	1.0
193.12326	0.9
197.11801	67.2
198.12151	2.1
199.04060	0.8
199.13341	5.0
209.11835	0.8
209.15427	2.6
211.13353	7.8
215.07111	2.0
223.17070	0.8
227.12839	1.4
233.06464	1.1
247.20586	1.2
251.16447	2.5
253.09253	47.8
254.09656	1.2
257.08179	0.7
263.20081	6.1
265.18048	1.9
273.18549	1.0
285.04120	1.2
291.19629	29.7
292.19867	1.4
309.20682	100.0
310.20963	5.2
329.17538	2.2
507.22321	1.7
536.81403	0.7
545.27960	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2959
Annotation	Officinoside D
Peak:m/z	Relative Intensity
55.01874	8.0
55.13234	1.0
55.80216	1.0
57.03433	5.6
58.00578	4.4
58.04278	1.0
59.01375	63.6
61.98814	2.7
69.03459	1.2
69.26756	9.0
71.01376	98.2
72.22144	1.3
72.99301	5.5
73.02938	25.8
75.00856	1.5
83.00952	1.6
83.01390	18.7
83.92320	1.0
85.02941	47.6
87.00871	5.5
89.01909	1.9
89.02438	33.0
95.01385	7.3
96.96003	24.9
97.02929	3.5
99.00874	11.7
101.02435	100.0
113.02438	42.5
113.03222	2.1
117.03387	2.5
119.03500	12.2
125.02431	2.7
125.09687	2.3
129.01935	1.3
131.03444	2.0
143.03471	9.5
145.02934	7.5
149.04495	1.3
159.02936	6.6
161.04535	48.8
179.05551	6.1
187.09727	1.9
191.05507	3.1
209.27896	1.3
253.09479	1.8
291.19489	4.3
295.20612	1.1
301.20099	3.1
309.20694	1.9
383.24335	36.2
384.24765	2.0
405.29904	1.4
450.23846	1.3
545.29486	79.5
546.29706	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	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03439	1.9
58.00587	0.7
59.01372	20.8
61.98824	7.7
69.03455	2.0
69.31230	2.0
69.31650	3.2
69.44208	0.5
71.01374	13.2
72.99285	1.1
73.02934	3.4
75.00880	0.7
83.01382	1.6
83.05007	1.4
85.02937	4.4
87.00877	2.8
87.04501	0.6
89.02431	10.2
93.03447	3.1
95.01373	0.7
96.95998	13.8
97.02941	1.5
99.00877	0.9
101.02427	11.3
108.02203	0.6
109.06593	0.6
111.04501	1.9
111.08147	16.3
113.02454	5.3
117.03465	2.2
119.03504	3.1
119.04974	0.8
121.02899	0.7
123.08116	0.6
125.02454	2.5
127.07613	1.0
130.66159	0.5
134.03709	0.7
136.01701	0.5
137.02417	1.8
137.09644	1.2
143.03477	1.6
145.02924	7.2
147.04521	0.8
151.00356	1.6
153.09142	1.0
153.12840	2.0
160.01634	0.9
161.04541	6.6
163.03960	0.7
164.01132	0.9
169.12314	6.8
171.06593	0.7
171.10202	2.0
173.04491	1.6
175.03961	1.0
179.05582	1.7
179.10742	1.5
181.08772	0.7
181.12292	1.5
183.10185	1.1
183.13908	0.8
185.64555	0.6
191.05589	10.2
193.12242	0.8
193.97571	0.6
196.00119	0.8
197.11803	82.9
198.12097	2.7
199.13380	5.4
209.11664	0.7
211.13371	9.8
215.07156	0.8
225.14876	3.2
227.12816	2.9
230.11479	0.5
249.14818	1.5
253.09264	49.8
254.09387	0.7
256.07349	1.0
263.20139	3.9
265.18085	2.5
273.18469	2.1
285.03952	2.3
286.04846	3.0
291.19623	27.6
292.19852	1.0
309.20673	100.0
310.20999	6.3
383.11121	2.0
433.20966	0.7
448.09937	0.9
485.23779	0.7
485.30978	1.8
507.22147	0.8
545.19983	0.8
545.27594	6.8
546.28912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51691	0.2
58.99596	0.3
59.01379	0.8
70.02968	1.4
70.90471	0.4
71.01373	0.5
71.05016	1.4
72.99293	0.2
79.95734	2.1
80.96505	0.2
85.02956	0.2
87.00915	0.2
87.05617	0.7
89.02470	0.2
94.98058	0.2
96.96002	100.0
97.95969	0.3
99.04512	0.4
101.02405	0.2
102.98581	0.5
113.03554	1.2
115.05090	0.2
116.07198	0.4
117.03456	9.5
118.03783	0.2
119.05020	3.2
120.99644	11.0
123.04535	0.4
125.02370	0.2
130.03305	1.4
135.04486	0.4
136.01627	0.7
145.02939	54.9
146.03296	1.3
146.08218	11.1
147.05936	0.7
147.08502	0.2
150.03232	0.3
151.04070	0.8
162.05611	0.5
163.03990	2.2
165.05519	0.4
172.06152	0.2
173.03859	1.4
177.01852	0.2
184.79535	0.2
189.37111	0.2
191.05563	0.4
195.06552	0.2
217.11916	2.8
222.05861	1.7
267.03342	0.3
271.02692	0.2
276.06989	0.3
277.12225	9.3
278.12247	0.3
284.03091	0.3
285.03873	0.5
300.02756	0.6
301.03592	0.2
345.13159	0.2
349.86267	0.2
423.15906	26.0
424.16153	1.5
447.08972	0.4
463.08731	0.6
527.17450	0.3
545.19879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
58.00595	1.0
59.01373	18.2
60.16922	0.9
61.98833	2.1
63.16993	0.8
70.33064	0.8
71.01378	21.8
71.62492	1.0
72.01669	0.9
72.99297	2.4
73.02942	2.0
80.96501	2.3
81.03466	0.8
83.01369	3.5
85.02930	2.7
87.00869	31.6
88.98767	0.9
89.02412	4.8
93.03436	0.8
96.96004	9.4
98.11123	0.8
99.00880	4.1
99.05676	0.8
101.02409	3.2
111.00866	4.1
112.98773	1.2
113.02431	3.1
115.00364	67.7
119.03479	1.2
121.02951	1.0
123.04517	1.8
125.02396	2.0
127.00394	1.8
129.01921	1.1
131.07066	1.2
137.02429	1.1
139.00403	5.1
150.03236	1.1
151.03967	1.3
152.99483	0.8
157.01408	7.2
157.08649	2.4
165.05469	1.0
165.61734	0.9
167.82222	0.8
174.01625	1.2
175.02461	100.0
176.02681	1.6
179.05521	2.3
191.05592	2.6
200.62274	1.0
204.90651	0.8
209.04483	1.4
259.13251	0.9
265.14319	2.1
317.19397	1.1
329.09824	1.0
330.82404	0.8
427.19540	1.7
436.77487	1.0
445.20599	1.0
485.20340	1.1
527.18207	1.2
545.18085	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	543.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20821	0.2
58.08809	0.2
59.01374	100.0
60.01714	0.7
61.98828	0.2
63.30330	0.2
65.24533	0.2
69.55505	1.3
70.44533	0.2
73.27439	0.2
74.57384	0.2
330.44855	0.2
505.35779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53292	0.2
55.58643	0.2
59.01375	2.2
61.98820	0.4
69.32713	1.2
69.33138	0.5
72.99293	1.0
74.21588	0.2
75.65253	0.2
78.95874	0.3
80.96571	0.2
86.96958	0.2
87.00890	0.2
87.41119	0.2
87.76659	0.2
96.96010	0.4
109.06573	0.6
112.98547	0.4
215.01445	0.2
233.19028	0.2
235.78679	0.2
241.14388	1.6
277.21701	1.9
277.28592	0.2
285.22095	0.2
306.33310	0.2
355.30054	0.5
381.27740	0.4
391.25043	0.3
405.27496	0.8
407.29361	1.4
408.30109	0.2
413.30545	0.3
415.32175	0.3
435.28616	0.5
449.26297	0.4
451.28320	0.8
453.29907	0.3
461.32645	0.9
477.29770	0.3
493.29327	0.3
495.30887	0.5
497.32437	1.9
526.67297	0.2
543.32965	100.0
544.33307	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	545.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.2
61.98822	0.1
65.91630	0.1
69.59467	0.7
70.02936	0.1
71.01366	0.3
75.45999	0.1
79.95727	3.0
89.02467	0.1
93.68171	0.1
96.96001	100.0
97.95937	0.2
101.02454	0.1
117.03436	0.5
119.05013	0.2
120.99643	0.7
145.02950	2.9
146.08224	0.6
151.03963	0.1
202.42934	0.1
219.93253	0.1
277.12250	0.5
284.03214	0.3
285.03973	0.6
423.15887	1.4
447.09363	0.7
545.19800	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	0.2
59.01377	1.8
61.98832	0.2
71.01371	0.6
71.63076	0.2
73.02930	0.4
75.74957	0.1
79.95730	2.7
82.95436	0.1
85.02945	0.3
87.00873	0.6
89.02454	0.2
96.96000	100.0
97.95937	0.3
101.02441	0.6
109.02927	0.1
113.02444	0.2
117.03452	0.3
119.05045	0.1
121.02940	0.2
125.02415	0.2
126.85870	0.1
145.02922	0.7
146.03239	0.3
161.02443	0.4
161.04645	0.2
163.03967	0.2
177.01987	0.1
191.05528	0.6
260.75171	0.1
272.88696	0.1
277.12891	0.4
285.04041	1.1
342.33582	0.1
382.16068	0.2
383.16565	0.4
395.80435	0.2
447.09476	0.4
456.21313	0.1
509.20206	0.2
545.24994	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71634	0.6
54.93793	0.6
57.03442	3.0
58.00594	0.7
58.04992	0.6
58.30683	0.7
59.01376	10.2
59.43835	0.6
61.46960	0.6
61.98822	4.3
67.01898	0.7
71.01382	6.6
71.62862	0.8
73.02943	15.5
79.13120	0.7
80.91684	7.7
83.01401	0.8
83.04993	0.8
85.02954	2.2
87.00862	0.9
88.98838	0.8
89.02453	2.3
90.99196	0.7
93.03484	1.1
95.01391	0.8
96.96003	8.6
97.02142	0.7
97.02887	0.7
101.02438	4.2
104.74363	0.7
111.04555	1.1
113.02426	2.9
117.03456	19.7
119.03532	1.1
119.05006	12.6
120.99664	0.9
121.02952	1.5
121.06574	3.5
123.08209	0.8
124.07698	0.7
125.02457	2.1
125.05975	0.8
135.04504	0.8
137.02444	1.4
145.02943	100.0
146.03300	2.6
149.06027	1.9
152.01176	0.9
157.08688	1.2
161.02464	1.1
161.04466	0.7
161.09721	2.2
163.03992	11.0
163.07639	1.0
165.05612	0.9
167.03517	0.8
175.03960	0.7
179.03401	0.8
179.10788	1.0
191.05594	1.4
195.06580	0.9
197.11800	6.8
203.10728	1.7
217.05402	0.8
223.09741	0.8
241.10764	3.2
255.02794	1.0
283.02451	1.1
283.11838	1.6
293.37701	0.6
317.10565	0.8
319.10251	2.0
339.18488	0.7
343.14066	1.6
380.94040	0.9
381.15509	70.0
382.15698	4.5
461.11096	1.3
505.22604	0.9
543.20715	35.4
544.20923	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	543.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
59.01376	13.5
69.50336	3.4
69.50756	1.2
71.01378	8.2
72.37724	0.6
72.99300	1.0
73.02944	1.4
73.23053	0.6
80.96537	0.7
83.01395	0.6
85.02959	3.2
87.00906	1.5
87.85879	0.6
89.02430	7.9
95.01414	0.8
96.96004	2.8
101.02437	7.0
103.27763	0.6
113.02444	2.6
118.98056	0.6
119.03509	3.2
125.00032	0.7
247.45966	0.5
273.18637	1.2
301.18033	1.1
319.19098	14.1
337.20224	7.4
345.16986	1.6
349.51459	0.6
363.18259	2.8
499.25601	4.0
543.24432	100.0
544.17419	1.1
544.24823	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	543.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05615	18.5
59.01366	43.4
61.98826	100.0
63.62557	20.7
67.33736	17.8
69.54075	40.7
69.54488	92.8
77.41405	18.3
110.57574	19.1
125.09709	33.3
148.80171	17.8
187.09718	20.7
191.04536	18.7
322.88065	20.8
354.48770	17.8
372.45303	20.3
391.03378	18.5
452.76440	19.3
471.29221	50.9
503.35938	22.7
505.27557	22.5
562.84473	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	543.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71634	0.6
54.93793	0.6
57.03442	3.0
58.00594	0.7
58.04992	0.6
58.30683	0.7
59.01376	10.2
59.43835	0.6
61.46960	0.6
61.98822	4.3
67.01898	0.7
71.01382	6.6
71.62862	0.8
73.02943	15.5
79.13120	0.7
80.91684	7.7
83.01401	0.8
83.04993	0.8
85.02954	2.2
87.00862	0.9
88.98838	0.8
89.02453	2.3
90.99196	0.7
93.03484	1.1
95.01391	0.8
96.96003	8.6
97.02142	0.7
97.02887	0.7
101.02438	4.2
104.74363	0.7
111.04555	1.1
113.02426	2.9
117.03456	19.7
119.03532	1.1
119.05006	12.6
120.99664	0.9
121.02952	1.5
121.06574	3.5
123.08209	0.8
124.07698	0.7
125.02457	2.1
125.05975	0.8
135.04504	0.8
137.02444	1.4
145.02943	100.0
146.03300	2.6
149.06027	1.9
152.01176	0.9
157.08688	1.2
161.02464	1.1
161.04466	0.7
161.09721	2.2
163.03992	11.0
163.07639	1.0
165.05612	0.9
167.03517	0.8
175.03960	0.7
179.03401	0.8
179.10788	1.0
191.05594	1.4
195.06580	0.9
197.11800	6.8
203.10728	1.7
217.05402	0.8
223.09741	0.8
241.10764	3.2
255.02794	1.0
283.02451	1.1
283.11838	1.6
293.37701	0.6
317.10565	0.8
319.10251	2.0
339.18488	0.7
343.14066	1.6
380.94040	0.9
381.15509	70.0
382.15698	4.5
461.11096	1.3
505.22604	0.9
543.20715	35.4
544.20923	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	543.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03442	1.1
59.01375	9.4
61.98831	1.3
64.93118	0.4
67.01023	0.4
69.59292	2.1
71.01378	9.9
71.05016	0.7
72.99296	0.7
73.02940	3.1
79.95742	0.5
80.96518	1.7
83.01400	2.2
83.05043	0.7
85.02941	4.8
87.00835	0.5
88.98836	0.6
89.02449	3.1
89.45879	0.4
93.03466	1.0
94.98067	0.5
95.01378	0.7
96.96010	2.1
97.02905	0.7
98.19862	0.6
99.00883	1.0
101.02435	10.8
111.04496	0.6
111.08143	0.9
113.02419	3.9
114.35910	0.3
117.03455	17.9
119.03516	1.2
119.05009	5.4
121.02943	0.9
123.04504	0.4
125.02435	1.4
131.03488	0.3
131.77313	0.3
133.02853	0.4
135.04480	0.4
137.02429	1.1
145.02937	100.0
146.03270	2.8
157.04985	0.5
159.03053	0.5
161.04530	2.2
162.26328	0.3
163.04004	8.2
163.05371	0.5
164.98524	0.4
173.08163	0.8
191.05496	0.3
197.08101	0.4
197.11816	0.9
235.11847	4.5
241.10753	0.4
281.06641	0.7
319.10507	1.7
325.09335	0.4
380.15982	0.4
381.15530	3.2
382.16272	0.4
397.17090	6.6
398.17593	0.4
543.20752	42.9
544.20935	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	543.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01380	3.2
61.98823	4.2
65.03946	0.2
69.27734	1.7
69.28146	0.4
71.01379	1.2
71.05055	0.2
72.99311	0.4
73.02947	0.8
77.03973	0.3
81.03458	1.1
83.01407	0.4
83.05020	6.6
84.72600	0.2
85.02970	0.6
89.02441	0.6
93.03451	1.3
96.95997	0.8
98.19861	0.3
99.04494	1.2
101.02458	0.7
107.05058	0.3
108.02083	0.2
109.02955	2.4
113.02451	0.7
117.03481	0.6
121.02944	100.0
122.03278	2.0
122.67148	0.2
123.04512	9.2
125.02457	1.3
126.44346	0.2
127.03999	66.9
128.04303	0.8
131.37570	0.2
132.02147	0.4
133.02904	0.4
134.03746	0.6
135.04524	0.3
137.02434	1.3
143.03502	0.3
145.02876	1.3
150.03259	0.3
159.08153	0.4
160.01657	3.2
161.02382	0.3
161.04533	0.3
162.84299	0.2
163.03990	0.3
173.04597	0.3
175.03978	3.7
177.05598	0.3
177.09187	0.5
187.07747	0.4
192.69200	0.2
193.05019	0.5
205.08662	0.7
207.58368	0.2
209.11740	0.2
219.06528	0.6
243.13689	0.3
255.03033	0.3
268.03625	0.3
283.02530	0.3
285.03900	0.2
295.02460	1.5
296.03223	0.5
296.93192	0.2
305.33719	0.3
314.76709	0.2
323.01950	0.7
324.78073	0.2
337.24179	0.3
372.60168	0.2
377.12338	3.3
378.12592	0.3
381.22772	3.3
446.08347	0.3
505.33682	0.7
507.22290	4.7
508.22675	0.5
525.26642	0.2
542.32098	0.4
543.13031	1.4
543.25348	0.3
543.31244	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42845	0.1
57.03436	0.2
59.01377	2.7
60.53509	0.2
61.98825	6.8
65.03957	0.5
68.99568	0.2
69.03437	0.3
69.47721	0.4
69.48144	0.8
71.01373	1.0
73.02935	0.9
76.61662	0.1
81.03461	1.1
83.01384	0.2
83.05016	5.0
85.02942	0.3
87.00878	0.3
89.02433	0.7
93.03448	52.8
94.03789	1.0
95.05011	0.2
96.96017	0.3
98.20641	0.3
99.00872	0.5
101.02444	0.8
109.02937	2.0
111.04509	10.2
112.04841	0.2
112.98542	0.3
113.02441	0.4
117.03463	0.5
119.03532	0.2
119.05055	0.1
121.02941	0.6
123.04546	0.5
125.02434	0.2
125.09734	0.3
127.03996	0.3
135.08266	0.2
137.02428	100.0
138.02774	2.1
145.02927	1.2
147.04425	0.2
155.03505	2.3
157.05072	0.2
160.01628	0.5
161.02403	0.5
161.04518	0.3
175.04002	0.6
181.12347	0.4
183.10295	0.2
197.11781	0.4
199.07358	0.2
199.13399	0.2
207.10300	0.6
209.11771	0.3
225.11354	1.0
243.12372	0.6
255.02948	1.2
281.06641	3.2
283.02484	0.8
284.03278	0.2
295.02475	0.2
317.16193	0.4
387.11148	0.2
405.11862	0.7
437.11075	0.2
446.08331	1.1
483.29480	0.2
507.22342	1.3
543.14490	0.6
543.28180	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	543.1504
Annotation	Homaloside D
Peak:m/z	Relative Intensity
57.16869	0.2
59.01374	0.9
59.44356	0.2
59.58823	0.2
61.98823	3.3
65.03945	0.3
69.03451	0.4
69.30811	2.1
71.01373	0.7
76.15326	0.2
77.07960	0.2
81.03455	1.4
83.05019	9.1
85.02945	0.3
93.03451	8.3
97.02927	0.6
108.02206	0.3
109.02949	6.0
111.04510	33.1
112.04853	0.5
113.02428	0.3
121.02943	100.0
122.03275	1.5
123.04517	1.3
125.02437	0.4
127.04003	1.4
131.07077	0.4
132.02162	0.2
134.03770	0.3
135.04517	0.3
136.01601	0.3
137.02477	1.5
138.03140	0.4
139.04012	2.5
145.02946	0.7
155.03493	6.1
156.03772	0.2
160.01640	1.7
163.03952	0.3
172.53542	0.2
175.03975	2.1
181.05084	0.8
193.05101	0.5
205.05147	0.4
205.08667	0.5
215.07240	0.3
233.08105	1.9
265.07178	0.4
283.08148	1.6
421.11319	3.3
422.11459	0.3
434.30618	0.3
467.51642	0.2
507.22388	2.8
543.14819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42632	0.5
54.15065	0.4
55.01869	1.3
57.03449	1.0
58.19192	0.5
59.01094	0.6
59.01374	11.0
61.98827	3.3
68.99836	0.9
69.29142	5.3
71.01378	13.1
72.99315	0.8
73.02939	3.5
74.48418	0.5
80.81509	0.5
81.03448	10.4
82.23326	0.5
83.01376	3.7
83.05017	62.9
84.05334	0.9
84.59029	0.5
85.02926	6.1
87.00860	1.0
89.02426	3.2
93.03446	25.6
95.01362	1.5
96.95424	0.9
96.95998	10.9
96.99256	0.8
97.02918	0.5
98.19926	1.2
99.00865	1.7
101.02432	13.0
107.04994	0.9
109.02940	8.2
111.04509	25.4
112.04822	0.6
113.02447	5.6
117.03455	18.0
119.03506	0.9
119.05005	4.8
120.99614	0.6
121.02944	17.0
123.04517	11.3
125.02427	2.0
127.04021	3.4
133.02960	0.8
135.04486	0.8
136.01669	1.5
137.02428	40.8
138.02815	0.7
143.03535	0.8
145.02936	100.0
146.03304	2.1
151.03984	1.1
155.03491	28.6
156.03831	1.0
161.04517	2.2
163.03973	8.1
163.11282	1.1
168.78261	0.6
173.11752	0.7
179.03499	1.2
185.98549	0.5
224.43269	0.6
235.11772	3.8
250.48914	0.5
281.06625	52.4
282.07028	2.1
297.04239	0.7
315.52042	0.5
353.10184	1.6
363.14789	0.7
381.09995	1.0
381.15570	2.8
387.10809	2.4
397.17197	6.1
405.11838	15.0
406.12350	1.1
423.12796	1.1
433.87143	0.6
437.10287	0.7
459.09326	1.6
507.22742	0.9
543.14600	9.0
543.20966	33.3
543.27716	1.5
544.14374	1.0
544.21912	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	543.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80618	0.7
57.03432	1.4
59.01367	3.1
59.20683	0.7
61.98810	1.8
68.14204	0.6
69.03453	0.7
69.60046	3.5
69.60455	1.2
71.01372	6.1
72.07183	0.6
72.99300	0.8
73.02931	3.1
73.59534	0.6
81.03471	3.3
81.03848	0.7
83.01370	2.0
83.05013	17.4
85.02942	4.3
89.02410	1.2
93.03448	35.7
94.03810	0.7
95.01361	3.0
96.10251	0.6
96.96001	4.4
97.02937	0.8
99.00859	2.5
101.02430	7.7
107.05006	0.9
108.02158	1.4
109.02922	4.8
111.04508	33.2
113.02432	4.9
117.03489	1.6
119.05021	1.3
120.99640	56.7
121.02953	4.4
123.04494	2.4
125.02418	3.1
127.03992	1.3
136.01653	7.9
137.02435	46.9
138.02759	0.9
143.03442	1.2
145.02982	5.0
147.04526	1.7
151.00359	1.7
151.04022	1.5
155.03477	20.0
161.04561	0.7
163.03967	1.5
187.07591	1.3
191.70691	0.8
199.07726	1.1
201.09297	1.9
212.39627	0.8
237.07414	0.7
257.08054	1.5
281.06628	100.0
282.06995	4.1
363.08395	0.7
381.09814	1.6
405.11905	3.8
423.12885	1.7
437.10962	2.1
525.14258	0.9
543.14508	8.2
543.21729	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	540.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98825	100.0
62.08041	0.2
70.59316	0.4
70.59692	0.3
71.01389	0.2
79.83680	0.2
80.74118	0.2
81.17242	0.2
87.23216	0.2
95.22597	0.2
96.12471	0.2
125.02448	0.3
145.03026	0.4
147.04501	0.2
163.04050	0.3
167.79359	0.2
168.00601	0.2
174.76776	0.2
411.96716	0.2
540.20612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12556	0.3
59.01379	1.5
61.98822	0.3
65.35902	0.2
71.01382	1.4
73.02946	0.3
74.99085	0.7
75.62764	0.3
78.95894	1.8
79.95733	2.9
82.95429	0.3
84.70684	0.2
85.02953	0.7
89.02441	1.1
96.96004	100.0
101.02434	0.7
102.07301	0.2
103.77527	0.2
113.02428	0.5
119.03495	0.5
134.88394	0.2
136.99130	1.4
151.03969	0.5
156.09789	0.2
179.05650	0.4
180.26685	0.2
181.05110	0.5
212.91089	0.2
241.05049	0.3
253.05054	0.2
283.09753	0.7
314.86676	0.2
361.03912	0.2
420.46237	0.3
443.19104	2.8
481.14371	0.3
518.19617	0.3
541.15796	0.4
559.63959	0.2
561.89410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
57.56761	0.6
59.01376	6.1
59.17142	0.6
61.98824	14.5
68.99810	0.9
69.03424	0.8
69.24728	3.0
69.25165	3.2
71.01376	2.6
73.02920	1.0
81.03461	8.0
83.01411	3.6
83.05018	1.8
83.26622	0.7
85.02943	1.4
89.02454	1.7
93.03444	11.7
95.01369	0.9
95.05028	7.5
96.95996	1.1
97.02946	2.9
99.04514	3.1
99.88525	0.6
101.02422	1.6
107.05037	1.2
109.02939	3.7
111.04505	5.0
111.85882	0.6
113.02435	1.5
119.03510	1.0
119.05022	8.7
121.02914	1.4
122.03754	1.0
123.00845	0.7
123.04517	13.9
123.66573	0.6
125.02432	20.3
135.04539	3.9
137.02452	10.5
137.06053	7.3
139.04002	4.4
145.02969	1.7
147.04503	4.2
149.02351	1.2
149.06033	1.0
151.00374	0.7
151.03961	3.6
153.05556	1.1
155.03476	2.1
161.02547	0.6
161.04469	1.0
163.03955	1.1
163.07616	1.6
164.04756	0.8
165.01863	1.0
165.05563	5.0
166.02806	0.6
167.03482	41.7
168.03920	0.7
177.05510	1.4
179.03470	16.1
187.07614	2.5
189.05513	4.9
191.03479	2.5
193.05035	3.8
197.04509	6.1
201.09268	0.8
205.01413	0.9
205.04935	0.8
209.04556	12.6
221.04512	5.4
229.08623	1.2
230.27769	0.7
231.06575	2.9
239.05565	1.5
241.05048	0.9
251.05489	0.9
253.08728	0.9
271.09698	1.3
273.07651	18.3
285.07712	3.6
287.08960	0.8
303.08749	3.0
313.07025	0.8
315.08691	45.8
316.09055	2.0
327.08673	11.8
337.10953	0.7
345.09769	17.0
346.10187	1.1
357.09705	5.2
367.11948	1.3
379.11963	3.9
385.12448	0.9
391.11530	1.8
421.12894	100.0
422.13174	7.9
425.61908	0.7
433.12811	1.7
451.13934	43.4
452.14346	3.6
454.02728	0.8
481.15427	0.8
481.27866	1.5
523.16058	6.5
541.17029	12.5
541.24670	1.1
542.17371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
61.98825	100.0
71.01397	0.2
71.63349	0.2
79.11694	0.2
88.30251	0.2
93.03454	0.2
96.96030	0.2
119.04996	0.2
122.03371	0.2
125.02477	0.2
145.02966	0.4
147.04520	0.3
155.91832	0.2
164.04822	0.2
167.03438	0.2
227.83685	0.2
255.06633	0.6
361.10974	0.3
435.12601	0.2
477.20654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69816	0.5
59.01381	3.1
59.98774	0.4
61.98824	100.0
65.83219	0.4
71.01379	2.4
71.63204	0.5
75.00882	0.7
85.02941	1.1
96.95996	0.6
97.02943	0.4
99.00907	0.9
101.02438	1.2
101.61816	0.5
106.53179	0.5
109.02911	0.6
117.03453	0.9
121.02983	0.7
125.02488	0.6
129.01974	0.9
133.02945	10.4
133.03864	0.9
134.03751	0.7
135.04514	7.4
137.02422	0.5
145.03006	0.8
146.03230	0.5
152.03545	0.6
161.02428	44.3
162.02786	1.2
163.09671	0.5
177.04053	2.1
177.05515	0.4
179.03474	5.8
181.12381	0.5
182.12439	0.6
185.50478	0.5
297.66061	0.5
339.07297	0.7
477.21255	48.1
478.21579	3.4
540.28534	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	540.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98826	100.0
69.49973	0.5
69.50394	0.5
71.01389	0.2
80.47324	0.2
88.98834	0.2
93.03470	0.2
95.35207	0.1
96.96008	0.2
105.62332	0.1
121.01994	0.1
125.02467	0.4
137.02405	0.2
145.02939	0.5
146.11549	0.1
163.04001	0.2
167.03557	0.5
209.04599	0.3
217.34547	0.1
239.05672	0.2
255.06654	0.3
315.08789	0.4
435.12674	0.2
477.21140	0.3
540.21417	0.2
540.29919	0.2
541.16919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06038	0.1
59.01364	0.9
59.68749	0.1
61.98824	100.0
71.01399	0.2
85.02936	0.2
89.02468	0.1
96.41182	0.1
96.95983	0.2
97.02956	0.1
101.02464	0.2
106.63482	0.1
113.02466	0.2
118.17697	0.1
119.05023	0.2
125.02425	0.4
137.02615	0.1
138.21837	0.1
145.02954	0.6
145.24176	0.1
147.04527	0.3
161.04552	0.2
163.03966	0.2
168.00670	0.3
175.95651	0.2
188.70726	0.1
207.03043	0.2
256.97415	0.1
379.75009	0.1
505.20490	0.2
540.18994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17033	0.3
59.01376	4.1
61.98824	100.0
69.31865	2.8
69.32214	0.4
70.87280	0.3
71.01370	2.3
72.01686	0.4
73.02950	0.4
75.00851	0.5
77.26958	0.3
78.95934	0.4
85.02948	0.8
88.98794	0.5
89.02422	0.5
93.03447	2.8
94.03805	1.1
96.96015	1.2
101.02444	0.7
103.04015	1.1
113.02426	0.5
117.03465	0.4
119.03430	0.3
120.70464	0.3
121.02975	0.5
125.02457	1.0
136.34901	0.3
137.02432	5.0
138.02769	2.6
139.02925	1.1
145.02972	1.5
146.03362	0.3
147.04526	1.1
148.04900	0.3
156.11311	0.3
157.83742	0.3
160.01643	0.8
163.03967	0.6
175.03969	0.7
183.10320	0.5
204.14101	0.3
205.42563	0.3
208.21216	0.3
225.80067	0.3
247.08188	0.8
379.17453	0.4
504.19696	0.8
505.20752	0.6
539.27014	3.3
540.27484	6.6
541.26801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2855
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
57.03447	6.2
58.00588	6.1
59.01370	65.1
61.98823	47.0
69.03442	11.6
69.33302	8.9
71.01375	50.9
71.05013	2.6
72.99303	3.7
73.02933	4.9
75.00882	1.5
78.95896	1.7
81.07094	1.8
83.01371	3.4
85.02939	15.3
86.03698	1.6
87.00874	2.5
87.04508	1.3
89.02435	35.0
89.02991	2.1
93.03450	1.5
93.07093	4.4
95.01392	3.7
96.96006	3.1
97.02956	1.9
97.06581	2.3
99.00884	2.7
99.08153	1.6
100.75684	1.1
101.02430	26.6
105.26675	1.0
109.06538	5.4
111.04504	1.5
111.08120	5.4
113.02441	23.7
113.06053	2.0
119.03480	15.8
119.04967	2.2
121.02979	1.8
123.04496	2.3
123.08173	4.3
125.02402	2.5
125.06065	4.1
127.07638	28.1
127.10321	1.1
131.03583	1.4
137.02454	1.1
137.06082	16.6
139.11270	20.8
143.03445	1.8
145.02988	5.1
152.99515	2.9
153.05527	3.5
155.07127	18.6
161.04555	4.8
163.03961	1.4
163.11349	1.8
165.09192	6.8
169.12318	1.9
179.05627	2.5
179.10742	1.7
183.10236	73.6
184.10602	1.3
193.12309	13.1
197.11803	29.7
199.79939	1.4
207.10220	3.1
209.11835	1.1
211.13411	3.6
217.00256	1.5
222.78099	1.1
223.86285	1.0
225.11275	63.6
226.11755	2.3
255.12415	5.7
282.87958	1.1
285.13480	2.5
293.21335	2.1
311.22211	1.6
317.21182	5.2
349.51773	1.2
355.13644	1.0
355.17560	26.5
356.18021	1.4
373.18597	46.1
374.19034	2.8
388.72757	1.1
454.96909	1.1
539.28497	100.0
540.28918	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	539.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.4
61.94756	0.5
61.98825	0.7
63.96210	0.6
64.75934	0.6
71.01372	2.8
71.62628	0.5
71.63016	0.5
73.02931	1.0
75.00858	0.7
83.01369	0.8
85.02946	0.8
87.00841	0.8
88.98820	3.0
89.02454	1.9
89.78023	0.6
93.03474	0.7
96.95997	2.8
99.00811	0.5
101.02425	1.5
108.02166	1.2
109.02938	1.6
111.04523	0.6
113.02444	1.2
119.03481	0.6
120.99643	100.0
121.99996	0.7
123.04503	0.7
125.02399	1.3
137.02428	1.9
149.04515	0.8
152.01137	1.2
153.01918	1.0
161.02393	0.6
161.04567	0.9
165.01968	0.8
175.03981	1.0
177.01860	0.9
177.05533	0.6
191.05603	0.6
192.99629	1.4
215.07100	0.7
223.04099	0.7
224.32187	0.5
227.14781	1.1
241.05313	1.6
257.08249	0.5
271.13654	0.6
285.04007	0.9
343.09161	1.4
359.15411	1.7
383.11630	0.9
508.17258	1.1
538.33734	0.8
539.15942	0.6
539.22760	4.4
539.33630	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.342
Annotation	(+)-Milnamide A
Peak:m/z	Relative Intensity
52.18951	0.2
57.03450	0.2
58.00590	2.5
59.01373	3.1
60.07375	0.2
61.98825	0.5
70.02592	0.2
71.08965	0.2
71.58015	0.3
72.99297	0.8
73.02946	0.4
75.56755	0.2
82.21682	0.2
83.05013	0.3
85.02920	0.2
87.04488	0.6
191.05579	0.3
197.51433	0.2
233.19072	1.7
273.22299	0.3
287.23978	0.2
351.26892	0.2
353.28357	0.4
355.30008	1.0
357.31787	0.3
367.29947	1.9
369.31485	1.4
371.33130	0.6
372.33484	0.3
383.29312	0.3
385.30692	0.4
397.31012	0.3
399.32562	0.3
409.30801	0.3
413.29953	0.3
425.30408	0.3
445.33264	0.9
457.33011	0.3
473.32669	0.8
475.34201	6.6
476.34558	0.5
477.31744	0.3
491.33701	19.8
492.33957	1.7
493.35437	1.1
501.32233	1.0
519.33185	11.8
520.33112	0.9
537.34253	100.0
538.34558	9.6
555.35974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67098	0.3
53.35863	0.3
57.03433	0.3
59.01370	2.8
60.02383	0.3
61.98818	0.7
71.01378	2.0
71.62709	0.3
72.99304	0.3
73.02934	0.7
75.00848	0.4
78.83675	0.2
83.01372	0.3
85.02950	0.9
87.00879	0.7
88.98793	0.3
89.02439	1.1
90.98572	0.5
96.95998	1.9
97.04468	0.3
101.02447	1.2
102.98591	1.2
104.98164	1.1
108.02171	0.6
109.02944	1.0
113.02448	0.7
119.03502	0.5
120.99644	100.0
122.00018	0.7
125.02437	1.1
137.02414	1.0
137.84323	0.3
152.01111	0.5
153.01933	0.4
160.01617	0.5
161.02365	0.5
162.03212	0.3
175.04001	0.7
177.05438	0.3
179.03497	0.7
188.03526	0.3
192.99626	0.9
208.01956	0.4
211.04370	0.4
211.07710	0.4
213.45123	0.3
213.62859	0.3
223.04359	0.6
227.14763	2.1
241.05263	1.7
256.06100	0.4
271.13754	0.6
295.07074	0.5
299.05499	0.3
300.05881	0.5
325.08078	0.4
329.06915	0.3
341.71600	0.4
343.09366	1.8
359.15347	2.6
360.15689	0.3
375.11755	0.8
376.27765	0.5
418.32983	0.3
464.18683	0.3
538.32941	1.5
539.22034	6.5
539.33453	2.0
540.22137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3269
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01870	1.3
57.03436	1.4
58.00573	0.7
59.01374	20.9
60.46117	0.5
61.98824	3.6
68.52238	0.5
68.99570	0.7
69.03440	0.8
69.76115	0.5
69.79794	2.8
71.01378	12.5
72.13454	0.5
72.99309	1.5
73.02954	3.2
83.01371	2.3
85.02939	4.8
87.00868	2.8
88.98800	1.4
89.02446	8.3
90.35979	0.5
93.03460	1.5
95.01385	1.5
96.96007	5.2
98.20625	1.1
99.00880	0.9
101.02434	9.5
101.06087	1.1
102.98555	0.8
108.77496	0.5
109.02935	1.3
109.68311	0.5
112.98561	0.7
113.02411	4.0
117.03447	1.2
119.03485	2.9
119.05017	1.4
120.99709	0.8
121.02932	1.5
123.04509	1.6
124.01678	0.7
125.02438	4.7
126.02822	0.6
131.03456	0.7
135.04518	0.7
137.02411	2.2
139.04057	1.1
143.03479	0.5
145.02942	6.5
146.03334	1.2
147.03476	0.7
147.04533	0.9
149.02448	1.1
149.04535	1.7
149.05980	0.8
150.03293	0.6
151.00404	1.4
151.04033	0.5
161.02399	0.6
161.04489	1.0
163.03990	1.4
164.04790	0.5
165.05583	0.8
167.03490	4.3
171.10315	0.8
179.03384	0.7
179.05615	0.5
185.11731	0.9
189.05888	0.5
191.03526	0.6
191.05579	0.9
193.01392	0.7
193.04935	0.5
205.04985	0.7
276.14804	0.5
284.03320	0.7
285.03976	1.1
301.86871	0.7
307.08374	0.6
313.24011	0.5
329.23120	1.3
357.26395	6.7
373.25861	1.9
375.27426	22.6
376.27728	1.1
377.42615	0.6
384.18768	0.6
386.11951	0.5
390.18436	0.8
391.18723	2.1
447.09253	0.9
477.23285	1.2
477.29401	0.6
514.37750	0.6
519.31671	2.0
537.15845	2.1
537.23755	7.2
537.32684	100.0
538.33136	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	537.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50388	0.2
55.01871	1.0
55.65186	0.2
57.03442	0.9
58.00594	0.2
59.01371	9.2
60.49657	0.3
61.98819	2.7
68.99818	0.7
69.32983	1.3
69.33408	0.8
71.01373	7.5
72.99294	0.5
73.02937	2.2
83.01376	1.6
85.02943	3.6
86.00102	0.2
87.00887	0.3
87.04509	0.8
89.02438	2.9
93.03447	31.4
94.03785	0.5
95.01365	1.8
96.99294	0.6
99.00881	0.8
101.02435	5.0
108.02158	1.0
109.02910	0.2
113.02438	3.3
117.03458	0.3
119.02687	0.2
119.03494	0.7
119.04984	0.7
121.02930	1.4
125.02423	0.4
125.07823	0.2
135.04488	0.5
136.01633	2.3
137.02428	82.6
138.02805	1.7
144.27699	0.2
145.02936	0.9
147.04486	0.9
151.03967	0.6
159.02959	0.4
161.04518	0.3
163.03993	0.7
166.18813	0.3
179.03485	4.2
183.13977	0.2
209.04405	0.4
221.04584	0.9
239.05559	2.0
281.06604	0.9
310.58652	0.2
398.11063	0.3
537.26953	100.0
538.27264	8.4
541.18799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
57.69545	0.4
58.00583	0.7
59.01374	22.8
61.98822	6.0
63.16473	0.6
67.64339	0.5
68.99814	0.6
71.01374	7.8
71.62975	0.9
72.99303	1.1
73.02942	1.6
75.00879	0.7
76.79564	0.4
78.95924	0.9
83.01378	1.0
83.04992	0.5
85.02943	4.4
87.00871	0.6
87.04480	0.6
87.40466	0.5
88.98791	0.9
89.02432	3.8
91.01874	0.8
93.03448	30.6
93.62511	0.5
94.03799	0.5
95.01357	2.4
96.96001	2.9
98.95597	1.6
98.96481	0.5
99.00912	0.7
101.02451	5.0
107.05032	0.9
108.02171	1.8
109.02922	0.8
113.01777	0.5
113.02442	3.0
117.03452	1.3
119.03485	1.4
119.04954	1.2
121.02930	2.5
123.00868	0.8
123.04488	0.9
125.02394	0.7
135.00867	1.4
135.04521	1.1
136.01645	2.6
137.02431	84.7
138.02763	2.0
145.02931	6.0
146.03308	0.7
147.04507	8.7
149.02426	1.0
149.06046	1.9
151.04001	1.7
152.01152	1.5
152.99599	0.7
161.02431	0.8
161.04530	0.9
163.03987	1.7
163.11339	0.4
163.86226	0.5
175.04121	0.5
179.03491	10.9
179.10777	1.8
209.04633	0.7
221.04411	1.2
232.44595	0.5
239.05594	5.1
243.06572	10.0
257.23407	0.5
281.06662	0.7
285.04169	0.8
315.19553	0.9
350.83676	0.5
397.19379	0.5
537.26898	100.0
538.27271	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	537.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03437	0.6
58.00579	0.4
59.01372	10.4
60.49652	0.4
61.98836	2.6
63.71898	0.3
68.99809	0.7
69.76433	1.8
71.01374	7.3
72.99303	0.9
73.02943	2.1
77.74780	0.3
80.11606	0.3
80.47109	0.3
83.01379	1.7
83.05012	0.4
85.02948	4.1
87.00882	0.5
87.04510	0.7
88.98803	0.6
89.02438	2.6
89.94819	0.3
93.03447	29.2
94.03737	0.6
95.01399	1.1
96.99289	0.7
99.00915	0.6
101.02425	5.5
103.86435	0.4
108.02146	1.0
113.02454	3.1
117.03441	0.7
119.03498	1.2
119.05012	0.8
121.02949	2.5
125.02415	0.6
135.04500	0.5
136.01631	3.1
137.02425	79.8
138.02773	1.6
145.02956	2.0
147.04535	2.7
149.02435	0.5
151.03972	0.9
161.04547	0.4
163.03981	0.9
177.05614	0.4
179.03485	5.1
221.04520	1.2
239.05569	2.0
249.05548	0.4
263.72211	0.4
281.06693	1.6
294.85062	0.3
315.19666	1.6
418.47418	0.3
448.97937	0.3
537.26965	100.0
538.27295	7.6
559.26172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.1
61.98825	1.3
71.01366	1.8
71.25106	1.0
73.31023	0.4
78.95899	1.1
85.02941	0.5
89.02429	2.4
93.03446	0.6
96.96001	1.4
97.70421	0.4
99.53134	0.5
101.02447	1.6
113.02464	0.9
119.03493	1.4
137.02406	0.8
149.49673	0.5
152.99539	1.6
163.11221	0.8
179.05542	1.0
271.20679	5.1
272.20786	0.7
275.26080	0.5
291.19550	0.9
295.83960	0.6
304.99109	0.4
309.20502	0.6
315.19598	100.0
316.19943	5.4
441.47198	0.6
477.24863	0.8
537.24689	2.2
537.33618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2697
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
52.59787	0.2
55.01872	0.8
57.03436	1.1
58.00573	0.4
59.01379	4.8
61.98818	1.2
62.60004	0.2
63.14121	0.2
68.99800	0.4
69.03446	0.6
69.12827	0.2
69.29591	2.3
71.01373	5.3
71.66234	0.2
72.99308	1.1
73.02943	1.4
75.00867	2.5
75.76276	0.3
79.01902	0.2
79.50745	0.3
79.89224	0.2
83.01392	0.7
85.02932	4.4
87.00891	0.5
87.04495	0.3
89.02419	1.2
90.49372	0.2
92.02660	0.3
93.03446	35.8
93.98586	0.2
94.03799	0.3
95.01367	1.2
97.02918	0.8
99.00886	1.6
101.02428	3.3
108.02172	0.5
111.00914	0.5
113.02428	1.8
117.03453	1.1
119.04974	0.5
121.02961	1.4
123.00864	0.3
125.02438	0.4
129.01909	2.4
136.01649	1.7
137.02426	90.4
138.02780	1.6
140.56929	0.2
145.02942	3.5
147.04482	0.7
149.02440	0.5
151.03947	0.4
159.02966	2.8
163.03992	1.0
167.36481	0.3
177.04021	4.4
179.03479	2.1
191.03426	0.4
221.04480	0.5
239.05571	0.7
281.06552	0.6
297.06149	1.4
340.08383	0.3
475.30789	0.5
537.26837	100.0
538.27203	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	537.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40002	1.5
57.03429	3.5
59.01375	25.8
60.99278	2.1
61.98827	40.8
69.44139	5.5
69.44566	6.7
71.01375	19.6
72.99279	2.8
73.02913	6.7
75.00855	2.6
83.01358	4.7
85.02940	10.0
88.98803	16.7
89.02435	9.6
93.03456	25.5
95.01328	2.1
96.95992	2.8
99.00832	3.4
101.02447	13.8
108.02149	1.9
109.02885	1.8
113.02390	6.6
117.03413	2.8
119.03451	1.8
119.04952	2.7
121.02958	10.9
123.04475	4.1
125.02390	4.0
129.01875	1.5
135.04448	5.0
136.01657	2.3
136.42682	1.6
137.02435	66.7
145.02956	15.0
146.03564	1.4
147.04437	6.1
151.03963	1.9
159.03009	1.9
159.04404	4.3
160.05234	3.2
161.04453	6.3
161.05888	3.5
163.03897	6.3
164.04640	1.5
171.04433	1.9
172.05095	2.3
173.06024	2.5
175.07515	4.2
177.04007	2.4
177.05492	2.4
178.10963	1.5
178.99750	4.8
179.03389	2.8
192.07877	2.2
201.05414	1.6
203.06958	4.3
217.08592	2.5
220.07346	2.2
253.04784	2.1
255.06650	2.3
267.06458	3.5
269.07986	2.4
274.65302	1.4
275.06952	4.6
276.07733	2.3
277.08466	5.0
278.09436	1.6
281.07922	5.2
282.08807	3.4
285.04004	1.7
291.06686	1.7
291.10184	2.0
292.07211	3.5
293.08188	14.3
294.08820	7.7
295.09515	3.4
296.10327	4.8
304.07150	2.8
305.08124	16.4
305.11441	1.7
306.08932	12.3
307.09500	6.5
308.07578	1.5
308.10562	14.7
309.08441	1.7
309.11273	18.4
310.08405	2.3
310.11743	2.5
315.17844	2.9
319.09460	5.2
320.10458	15.1
321.11261	23.7
322.08154	2.8
322.11725	3.7
323.08936	5.5
323.12659	12.8
325.10648	3.3
326.11282	7.1
335.12576	4.4
337.10535	6.6
338.11661	9.7
340.12897	3.1
341.13797	2.0
371.14703	3.0
375.27164	4.7
382.16806	1.7
417.14746	1.7
429.13239	3.2
432.15347	2.2
443.14459	1.8
444.15332	4.1
447.17950	2.7
459.18637	2.7
474.16669	8.7
477.18646	85.5
478.19266	8.0
489.19287	45.5
490.19067	2.4
504.17413	3.5
507.19745	7.0
519.20154	100.0
520.20245	9.6
537.26624	66.1
538.26953	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	537.2008
Annotation	Tanegoside
Peak:m/z	Relative Intensity
57.03445	1.3
58.00587	0.9
58.99586	2.2
59.01376	22.5
59.49170	0.6
60.99309	5.7
61.98817	2.7
63.96230	1.6
69.34897	4.5
71.01382	16.2
71.05033	0.7
72.99298	3.4
73.01160	1.2
73.02930	2.4
73.98306	0.9
74.99081	2.3
75.00865	1.2
79.95712	1.1
83.01382	2.7
85.02953	5.2
87.00862	5.7
88.98799	35.5
89.02438	11.3
93.03445	1.3
95.01371	1.1
96.96008	13.9
101.02434	8.8
102.98595	1.1
108.02137	3.1
109.02911	2.9
113.02457	5.4
117.97272	0.8
118.98071	0.8
119.03488	2.9
119.04971	0.7
120.99628	1.8
121.02950	1.3
125.02447	1.0
133.02931	1.0
135.04494	0.6
135.11790	2.3
135.98344	2.9
136.99112	2.2
137.02444	1.6
145.02933	1.2
149.02396	1.0
149.04404	0.8
151.00360	1.1
152.01129	2.5
153.02034	1.5
159.41454	0.6
161.04581	1.1
161.13387	0.7
165.05486	0.6
167.03427	0.9
179.03300	1.0
179.05571	0.9
179.08992	1.5
191.05669	1.3
195.12128	5.3
207.12097	1.3
225.13162	37.6
226.13451	1.5
233.08540	0.8
251.10979	1.0
269.12125	0.9
284.03217	13.3
285.04019	28.0
286.04385	1.4
289.07047	0.6
313.14731	7.9
323.25314	0.7
339.12537	1.1
357.13742	23.3
358.14029	1.8
375.14865	1.6
375.27469	2.5
447.09302	36.0
448.09683	2.4
519.31262	0.9
537.20166	100.0
537.32483	12.9
538.20544	6.6
538.33093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29821	0.6
55.01869	1.3
57.03440	1.4
58.00585	1.7
58.44286	0.7
59.01375	46.1
69.03477	0.8
69.62549	3.1
69.62959	1.8
71.01378	42.5
72.79955	0.7
72.99305	1.4
73.02941	6.7
82.45290	0.7
83.01376	3.5
83.11930	0.7
85.02946	12.7
87.00873	2.4
89.02435	44.9
90.67435	0.6
93.03463	3.4
95.01393	3.9
96.96015	1.4
99.00876	2.1
101.02433	25.0
103.57098	0.7
108.02181	0.8
113.02438	16.3
113.03810	0.7
119.03495	15.7
121.02958	6.0
122.03729	10.8
123.04534	2.4
125.02474	1.4
131.03511	2.2
133.02913	1.4
135.04565	1.1
136.01628	2.4
141.63533	0.7
143.03476	5.3
147.04453	1.0
149.02432	55.6
150.03212	84.9
151.03642	1.3
159.02968	1.6
161.04553	13.0
162.03293	1.4
164.04770	16.8
165.05554	78.9
166.05911	2.0
175.03943	2.6
176.04765	5.4
179.05605	22.1
179.07080	2.3
180.04242	5.6
183.27867	0.8
191.07106	12.2
195.06602	38.7
196.06908	1.4
204.79201	0.8
232.71680	0.8
283.09702	4.5
297.07764	0.8
312.09988	15.0
327.12332	100.0
328.12662	6.4
357.13379	1.8
375.14362	7.1
489.17578	13.1
490.18198	1.6
537.19727	38.9
538.20105	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	537.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41216	1.0
54.56496	1.0
55.01869	1.5
55.17234	1.0
57.03443	1.3
57.43405	1.1
58.00602	1.9
58.28992	1.1
59.01373	42.5
61.98818	1.2
62.45235	1.1
63.25571	1.0
70.94891	2.8
71.01375	34.0
72.75435	0.9
72.99315	2.7
73.02950	2.9
83.01386	2.4
85.02960	7.3
87.00877	2.4
89.02438	41.6
91.28923	1.2
93.03436	3.3
95.01390	2.6
96.95998	2.2
99.00887	1.2
101.02439	16.9
113.02457	13.4
119.03501	16.5
121.02973	7.8
122.03738	13.3
122.90121	1.1
123.04498	1.6
131.03517	2.3
131.07140	4.6
133.02917	2.5
136.01660	2.6
143.03468	3.6
147.04533	2.3
149.02432	28.7
149.04419	1.4
150.03212	97.0
151.03656	2.6
159.02971	1.3
161.02464	1.7
161.04520	6.5
162.03246	1.1
164.04762	8.5
165.05551	100.0
166.05919	2.3
173.08156	2.5
175.03970	7.3
176.04778	23.4
177.05379	1.3
178.53960	1.1
179.05621	19.5
179.07132	3.0
180.04251	6.1
190.06328	3.9
191.07115	39.9
191.08853	2.3
192.07407	1.8
195.06604	68.3
239.09200	1.2
262.26401	1.2
283.09787	1.3
312.10074	5.4
327.12323	51.9
328.12778	2.5
329.10410	2.3
339.12347	7.4
345.13251	2.4
357.13257	2.7
360.11728	1.4
365.16110	1.2
375.14471	17.0
489.17520	6.2
505.17163	1.9
537.19757	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75673	0.5
59.01377	2.1
60.99299	15.8
69.49404	2.5
69.49837	1.9
71.86040	0.6
85.50512	0.5
88.98800	92.2
98.19772	0.9
98.32673	0.6
101.02412	0.5
102.98598	0.7
103.79582	0.7
109.02827	0.7
109.15564	0.5
111.49165	0.5
130.70671	0.6
133.02953	1.9
142.17892	0.5
149.02441	1.0
151.00359	2.0
171.70805	0.6
175.03986	1.0
199.03969	0.8
204.12206	0.5
213.65314	0.6
256.03729	1.7
284.03220	37.4
285.04004	82.2
286.04401	3.4
327.05273	0.8
447.09262	100.0
448.09708	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	535.3269
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
51.90509	0.2
51.90763	0.2
57.03439	0.5
59.01365	0.3
59.11125	0.3
62.17379	0.2
71.52088	0.3
72.99307	1.8
75.00819	0.2
87.00821	0.3
87.04507	0.3
146.14284	0.2
158.27644	0.3
160.86987	0.3
171.43991	0.2
332.02512	0.3
394.11948	0.3
411.32224	0.3
443.31125	0.3
445.33505	0.4
473.32492	0.7
489.32144	1.2
517.31689	3.2
518.31311	0.3
535.32672	100.0
536.24805	0.5
536.33026	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	535.3268
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
52.67166	0.1
55.43657	0.1
57.03434	0.2
58.00584	1.5
59.01374	2.0
61.98813	0.2
70.40199	0.1
70.52409	0.2
70.52780	0.2
71.01382	0.2
71.05009	1.5
72.99298	0.7
73.02940	0.7
73.09940	0.1
73.82523	0.1
83.04977	0.2
85.02954	0.1
87.04499	0.8
87.82896	0.1
96.96022	0.2
110.83184	0.1
129.05194	0.1
135.03647	0.1
135.04617	0.1
166.63268	0.1
175.03978	0.1
181.42244	0.1
205.79562	0.1
217.15756	0.1
231.17426	0.2
233.19064	0.3
247.17096	0.2
260.32278	0.1
264.88632	0.1
275.16013	0.1
276.88895	0.1
283.20609	0.4
289.21634	0.4
301.21695	0.1
303.23218	0.5
354.73343	0.1
367.30011	0.2
369.31766	0.3
371.29651	0.2
373.30920	0.3
383.29446	1.0
385.31030	3.3
395.29517	0.2
397.30972	0.4
401.30472	1.1
405.30115	0.1
407.29327	0.2
411.28665	0.1
413.30466	0.5
415.32285	0.2
425.30698	0.8
426.30878	0.1
427.31625	0.1
443.31686	1.7
445.33182	0.4
453.29916	0.3
461.32355	0.3
469.29166	0.1
471.31232	1.6
472.31696	0.1
489.32196	3.3
490.32501	0.3
517.31677	1.0
535.32642	100.0
536.33002	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	535.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
57.03436	3.2
58.00585	1.9
59.01373	36.9
61.98827	2.4
65.00330	0.7
69.03461	0.7
69.54402	1.7
69.54816	2.3
71.01378	28.5
71.05015	1.3
72.99294	4.1
73.02942	7.5
74.99083	0.9
75.00856	1.4
81.03456	0.7
83.01374	5.4
83.04998	0.7
85.02945	11.9
87.00861	3.8
87.04510	2.8
89.02439	22.0
93.03444	1.3
94.05000	0.6
95.01379	2.8
95.72847	0.6
96.96015	5.0
97.02936	1.1
99.00895	2.4
101.02441	24.0
101.06035	0.7
104.05090	0.6
107.01390	0.9
108.02172	0.9
109.02959	2.1
111.00890	0.8
113.02436	11.7
113.09818	0.6
114.57140	0.6
116.92818	1.0
117.03478	1.6
119.03501	9.4
119.05010	1.6
120.99645	20.9
121.02953	2.0
121.06651	0.6
123.04515	2.6
123.08148	1.5
125.02452	4.0
125.09690	1.4
129.01952	0.8
133.02924	1.5
135.04495	2.0
135.98300	0.8
137.02451	4.0
137.09653	1.2
139.03993	1.0
139.11287	1.1
143.03497	1.2
143.10739	2.3
145.02940	4.6
147.04448	0.5
148.03984	0.8
149.02428	1.4
151.00407	2.3
151.03976	1.9
151.11290	0.9
152.01114	0.7
153.09126	0.9
155.10725	1.6
159.02936	0.9
161.02419	1.0
161.04526	4.0
161.05779	0.8
162.03178	0.6
163.03989	2.7
163.11203	0.7
165.01933	1.4
167.10733	1.0
169.12347	1.1
173.11958	0.7
175.04027	1.7
177.31740	0.6
179.03436	0.7
179.05565	4.1
179.06926	0.7
181.12383	0.6
187.03896	1.0
188.04799	1.0
191.05574	0.9
199.03903	0.8
199.13341	0.9
202.12056	1.0
203.07121	1.3
205.05121	1.5
216.13586	0.7
245.08144	2.2
253.14400	0.6
256.03552	1.2
257.04123	0.7
258.04602	0.8
284.03214	13.3
285.03882	26.4
286.04050	25.7
287.04587	20.0
288.04883	0.7
289.07126	7.4
307.08011	0.8
315.07364	0.6
337.23764	1.2
355.24915	1.6
356.02252	0.7
373.13306	0.7
373.25925	20.1
374.26328	1.3
433.12125	0.6
449.09906	1.0
475.21255	1.1
489.10254	3.4
490.10733	2.4
491.10907	49.1
492.11240	2.3
517.30194	1.6
535.17572	4.0
535.22748	5.0
535.31183	100.0
536.31525	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	535.3117
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01865	0.8
57.03436	0.9
58.00569	0.7
58.86928	0.2
59.01374	12.2
61.98562	0.3
61.98825	3.5
63.69010	0.2
63.78489	0.2
66.45992	0.3
69.03445	0.3
71.01376	6.6
71.35761	0.4
72.99295	0.5
73.02944	2.1
79.33427	0.2
83.01395	1.4
85.02946	2.8
87.00851	0.9
88.98769	0.3
89.02425	3.6
93.03421	0.3
95.01373	0.5
96.95997	1.0
99.00871	0.7
101.02435	4.1
102.11396	0.2
105.99075	0.2
108.02195	0.2
111.00848	0.3
113.02450	2.6
117.03436	0.4
119.03517	1.2
119.05022	0.5
121.02963	0.2
123.08156	0.6
125.02419	0.9
125.09695	1.2
127.11275	0.5
137.02419	0.5
137.09694	0.5
141.09195	0.4
145.02917	2.1
146.03262	0.3
149.02399	0.4
152.01120	0.3
155.10704	0.6
161.04497	0.3
163.03870	0.5
167.03490	0.5
171.10248	4.1
187.07597	1.0
217.14333	0.3
229.14282	0.4
257.08124	0.8
327.21765	0.5
333.46310	0.3
343.24985	0.3
355.24881	4.2
356.25497	0.3
371.24454	0.4
373.25903	15.1
374.26193	0.9
389.17422	0.4
392.20880	0.4
437.34525	0.3
445.50076	0.2
491.10950	0.3
491.19144	0.5
517.29919	1.6
533.29871	0.4
535.31158	100.0
536.31464	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	535.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58880	0.2
57.01663	0.2
57.03436	0.3
58.00581	0.6
59.01374	7.6
60.45281	0.2
69.52925	1.2
69.53335	0.4
69.63354	0.2
71.01380	0.7
72.99300	3.7
73.02924	0.2
75.00857	1.1
83.05000	0.4
87.00916	0.2
87.04501	1.4
89.02420	0.3
96.96038	0.3
101.02430	0.5
106.63908	0.2
109.49590	0.2
119.04991	0.3
121.45672	0.2
122.17300	0.2
125.02423	0.3
130.69537	0.2
137.09718	0.8
143.58672	0.2
145.02911	0.6
155.24509	0.2
163.03993	0.4
193.08641	0.2
217.15981	1.0
235.13139	0.2
257.19131	0.2
259.27182	0.2
279.76031	0.2
285.03934	0.3
287.20163	0.5
288.13962	0.2
349.25220	0.3
355.26263	0.7
357.27628	0.5
365.24808	0.3
367.26471	1.4
373.25836	0.3
379.22864	0.2
383.25983	1.2
385.27429	3.4
386.27832	0.2
389.18057	0.7
395.25876	2.0
410.18130	0.2
413.26837	2.5
415.28433	0.5
427.28488	2.9
429.26407	0.6
455.28006	0.7
459.27225	0.3
464.67700	0.2
471.27359	0.3
473.29041	4.5
474.29349	0.5
489.28513	3.0
491.10794	0.3
491.30121	0.5
517.28027	5.4
518.28485	0.4
535.29034	100.0
536.29382	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	535.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.9
57.03444	5.8
58.00584	3.5
59.01375	94.5
59.94675	1.0
61.98829	20.0
71.01376	60.5
71.05027	1.1
71.62771	0.9
71.63206	1.6
72.99300	4.2
73.02938	15.4
77.72155	0.9
81.03442	3.3
83.01380	12.4
83.05015	7.7
85.02939	29.5
87.00883	6.0
87.04510	1.0
87.82586	1.0
88.98769	1.9
89.02435	39.4
93.03428	3.0
95.01387	5.7
96.95997	9.0
97.02973	1.6
99.00864	5.4
101.02434	60.5
102.02808	1.3
109.02934	2.8
111.00854	1.1
113.01681	1.7
113.02439	30.4
117.03451	15.6
119.03500	15.8
119.04961	6.4
121.02921	2.9
123.04516	8.1
125.02437	7.7
129.05569	3.7
131.03488	2.2
137.02423	10.1
143.03510	4.4
145.02939	72.3
146.03325	2.9
147.04517	1.1
149.04503	1.6
151.00307	1.2
151.03993	1.8
152.01064	2.0
155.03523	2.7
155.10866	1.1
159.02937	2.9
161.02470	1.3
161.04559	17.7
161.05888	2.1
163.03981	6.9
167.03456	3.2
179.03418	1.4
179.05612	5.5
179.10794	1.2
185.11868	2.0
205.04938	1.0
215.12903	1.4
232.15755	1.0
257.08295	1.3
271.06161	4.5
274.46365	1.0
285.03983	1.1
289.06857	1.4
307.08743	0.9
355.24893	2.5
371.17206	1.3
373.12466	1.3
373.22064	38.5
373.26019	7.4
374.22501	2.8
389.18115	61.4
390.18280	2.4
395.17487	1.3
401.88306	1.1
405.11804	1.3
475.20886	2.0
475.29422	1.1
489.58026	1.1
491.10431	1.6
535.21234	24.1
535.28046	100.0
536.21631	2.9
536.28143	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	535.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08573	0.4
51.48006	0.5
54.34850	0.4
56.77040	0.4
59.01373	100.0
60.01717	0.5
60.95863	0.4
61.98821	4.8
63.06698	0.4
67.87237	0.4
69.32211	2.8
69.32619	0.8
71.01373	2.8
73.02922	0.6
83.01397	0.5
85.02950	1.1
88.54064	0.4
89.02442	2.5
93.03448	1.6
96.96007	2.5
99.04527	0.4
101.02406	2.2
105.03447	0.6
108.02204	0.6
109.02974	1.1
113.02467	1.1
117.03462	1.2
119.03532	1.2
119.05013	0.8
121.02940	36.6
122.03307	0.6
123.04485	0.9
125.02445	0.6
127.04007	0.5
133.02950	2.6
135.04523	0.6
137.02467	2.2
138.12355	0.4
139.04123	0.7
145.02925	3.6
147.04520	0.9
153.01730	0.4
160.01648	0.8
161.02422	1.7
161.04663	0.9
161.06065	0.5
161.13322	0.6
163.03967	0.8
167.03516	1.4
169.12375	0.8
175.04034	0.6
177.01971	0.7
178.02658	0.4
179.03526	0.5
179.10820	0.5
250.50529	0.5
267.17505	1.0
268.03867	0.8
283.08398	0.6
355.15598	1.5
373.25873	0.6
413.08984	0.4
438.15213	3.2
449.27563	1.3
491.11145	0.9
491.28815	2.5
535.25366	5.1
535.32397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44938	0.6
61.98823	100.0
71.62683	1.0
96.15466	0.6
127.31508	0.6
285.03845	0.7
471.34677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.8
59.01374	21.6
61.98820	3.1
63.02387	1.2
65.00323	3.6
71.01374	12.3
72.99323	1.4
73.02948	6.4
74.99084	0.7
81.03458	1.6
82.95409	1.5
83.01379	8.9
85.02943	5.8
87.00877	2.1
87.04502	5.1
89.02434	8.8
93.03455	2.0
95.01376	1.8
96.96001	1.8
97.02939	1.8
99.00845	1.3
99.04494	2.0
101.02437	9.1
101.99927	0.7
103.03987	4.0
104.16401	0.8
107.01380	8.0
109.02937	5.3
111.00860	1.3
113.02428	3.4
115.04002	2.0
117.03422	1.1
118.98053	1.6
119.03490	2.4
119.04959	1.2
120.97662	0.9
121.02937	3.4
123.04519	7.7
124.01669	3.4
125.02433	100.0
126.02750	1.9
131.01385	1.4
135.04443	1.0
137.02412	5.6
139.03990	3.7
140.62788	0.8
145.02927	4.6
147.04504	1.5
149.02425	16.1
150.03145	1.6
151.00357	33.1
151.03941	4.1
152.01097	4.0
153.00659	1.5
153.01918	27.0
155.10765	1.1
160.01622	1.2
161.02419	2.2
161.04527	1.5
163.00331	0.8
163.03984	1.2
165.01894	1.9
167.03468	4.8
174.03183	1.8
175.00377	5.0
175.03964	11.1
176.01111	1.0
176.04283	0.8
177.00449	1.6
177.01906	21.2
178.99837	18.8
179.03412	1.1
179.05594	0.8
180.00151	0.8
181.01390	11.3
188.04755	2.1
189.05525	4.0
191.03506	2.3
191.05379	0.9
193.01419	1.6
193.05072	1.2
195.02933	1.6
199.03966	6.5
201.01884	1.8
207.13853	1.6
207.62048	0.7
209.11780	4.7
213.05515	1.7
216.04208	0.9
217.04979	5.0
225.15012	1.2
231.06622	2.2
241.05045	5.1
243.02950	1.3
247.63348	0.7
256.03748	0.9
257.04465	1.3
259.06125	4.0
269.13913	12.8
275.05569	25.3
284.03238	3.2
285.03989	57.8
286.04175	7.8
287.04419	3.6
289.07056	1.3
299.05515	9.0
303.05054	87.1
304.05414	5.6
309.03918	1.2
317.06580	1.2
327.05072	2.3
329.06625	0.9
373.25851	5.5
383.09872	1.3
385.11139	1.2
389.17984	3.0
411.09341	8.4
413.10852	7.7
491.10782	8.2
507.15033	3.3
517.13361	5.7
517.20361	0.8
517.29773	1.7
535.23560	12.0
535.31219	52.5
536.31360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3111
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
57.03442	1.5
58.00576	0.2
59.01379	1.0
60.66988	0.2
61.98815	0.2
64.41030	0.2
67.42091	0.2
70.66875	0.4
71.01384	0.2
71.05001	0.2
72.99297	4.3
73.70030	0.2
73.78694	0.1
75.00853	0.2
87.04057	0.2
87.04515	2.0
93.42313	0.2
95.05011	0.5
115.31481	0.2
199.13409	0.3
233.15462	1.2
279.19693	0.2
284.03259	0.3
285.03857	0.6
288.37201	0.2
315.13760	0.2
347.25919	0.2
365.26901	2.4
366.27625	0.2
383.25732	0.3
409.27249	0.6
413.30606	0.4
415.32153	0.3
425.30594	3.3
426.30948	0.4
427.32404	0.2
441.30106	0.4
443.31662	1.7
453.30026	4.4
454.30389	0.6
469.29630	0.3
471.31058	5.6
472.31409	0.6
487.30542	2.4
489.10730	0.4
489.32126	0.7
515.30060	10.5
516.30237	0.6
533.31104	100.0
534.31458	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	533.2962
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01873	0.6
57.03442	1.2
58.00589	0.6
59.01376	14.6
61.98822	2.3
68.48753	0.3
70.79325	0.5
71.01382	9.0
71.04992	0.4
72.99287	0.7
73.02938	2.4
83.01391	2.0
84.95145	0.3
85.02940	3.9
87.00854	0.5
87.04513	0.3
88.98810	0.8
89.02436	4.7
93.03436	0.5
93.09543	0.4
95.01389	0.8
96.95992	0.5
99.00856	1.1
101.02448	6.7
109.02894	0.4
113.02448	3.1
117.03445	2.4
119.03483	1.0
119.05016	1.4
122.97262	0.4
123.08143	0.5
125.02433	2.4
125.09743	2.1
133.02968	1.1
135.04498	0.6
136.99048	0.4
137.02412	0.9
143.10789	0.5
145.02945	10.9
146.03302	0.7
149.02429	0.6
151.00363	1.5
153.09183	0.5
155.10730	0.6
161.02437	1.6
161.04515	0.7
163.03993	1.4
167.03566	0.4
171.10257	4.6
173.06012	0.4
175.03952	0.4
177.01909	0.4
178.99879	0.5
179.03531	0.4
185.11789	0.6
187.07726	0.3
190.88852	0.3
215.12833	0.3
243.15877	0.4
259.06131	3.2
271.05963	0.4
281.17636	0.5
283.06052	0.4
284.03235	6.2
284.06348	0.4
285.04019	9.7
286.04343	0.7
287.05615	2.3
300.02750	0.9
301.03506	2.1
311.22443	0.6
327.21765	0.6
341.16095	0.5
341.23352	2.1
353.23309	5.4
369.22803	0.4
371.24350	14.2
372.24695	0.8
473.20230	2.3
489.10376	9.1
490.10892	1.0
495.22049	1.4
497.23163	0.4
505.17700	0.5
515.28497	1.2
533.29706	100.0
534.22797	0.6
534.30084	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
57.03443	1.4
58.00584	0.5
58.65179	0.2
59.01373	13.8
60.99279	0.2
61.98822	3.0
65.00314	0.5
69.27983	1.9
71.01373	10.0
71.05012	0.7
72.99310	0.9
73.02936	3.2
74.99119	0.4
78.65740	0.2
81.03412	0.3
83.01393	1.8
84.95136	0.2
85.02938	4.1
87.00873	0.8
87.04536	0.6
88.98805	0.5
89.02433	5.8
93.03437	0.7
95.01377	1.0
96.96018	0.6
97.02943	0.2
97.06589	0.5
98.17595	0.2
99.00870	1.1
101.02435	6.2
107.01393	0.7
108.02213	0.3
109.02908	0.4
111.00848	0.3
113.02448	2.9
116.92768	0.3
117.03457	2.2
119.03521	1.5
119.04994	1.4
121.02947	0.5
123.00947	0.2
123.04480	0.3
123.08159	0.5
124.01682	0.2
125.02428	3.3
125.09705	1.9
129.01845	0.3
131.03583	0.2
131.04895	0.2
133.02940	0.9
134.03648	0.2
135.04497	0.3
137.02448	1.5
137.09776	0.3
139.11256	0.3
141.09232	0.3
141.12839	0.2
145.02939	8.9
146.03331	0.2
149.02411	0.6
151.00354	2.0
153.01952	0.3
153.09198	0.6
155.10762	0.5
160.01622	0.3
161.02444	2.0
161.04520	0.8
161.05858	0.2
163.03990	1.4
167.03520	0.6
169.08441	0.3
169.12335	0.2
171.10245	5.0
173.06027	0.5
175.04004	0.7
177.05612	0.5
178.99844	0.6
179.03453	0.6
185.11842	0.7
186.64392	0.2
187.07672	0.4
191.10811	0.3
197.11792	0.3
199.03981	0.3
200.10452	0.4
214.12012	0.3
215.07039	0.9
215.12962	0.6
223.08171	0.4
227.03618	0.3
228.13547	0.2
241.05037	0.3
243.06476	0.3
256.03845	0.4
259.06070	4.8
265.07208	0.3
281.17639	0.5
283.06131	0.7
284.03223	6.7
285.04007	10.7
286.04358	0.7
287.05576	3.2
300.02594	1.2
301.03555	3.4
301.06870	0.5
320.12457	0.2
323.22131	0.3
327.21942	0.5
341.15964	0.9
341.23300	2.4
353.23282	5.6
355.24771	0.4
369.22998	0.3
371.24347	13.6
372.24667	0.9
373.25961	0.5
387.16498	0.3
436.09897	0.4
447.09430	0.4
473.20224	2.7
473.26294	0.4
489.10336	10.4
489.17453	0.5
490.10730	1.5
495.22000	2.0
497.23166	0.5
505.17197	0.7
515.28619	1.1
533.12933	2.8
533.29681	100.0
534.12854	0.3
534.29987	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	533.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	46.7
61.98829	34.8
71.01375	17.1
71.58878	4.6
73.02930	6.5
79.95731	5.2
81.03459	14.6
82.00045	3.7
83.01395	7.5
89.02473	5.0
93.03473	13.1
95.05012	8.3
96.95999	96.7
96.96943	6.1
97.02932	9.3
99.04491	5.4
101.02438	10.8
107.01427	5.8
109.02949	10.4
113.02451	6.0
119.04993	15.3
120.99633	5.0
121.02928	5.6
123.04516	19.8
125.02425	22.8
133.02948	5.1
135.04568	7.4
135.85025	3.5
137.02406	8.6
137.06058	9.3
139.03951	6.3
145.02943	7.9
147.04507	3.7
147.07027	3.8
150.03285	3.9
151.00323	10.1
153.01901	9.2
161.02374	5.2
165.01851	4.5
165.05518	7.1
167.03462	55.5
171.10374	3.9
177.09096	9.5
179.03442	8.1
179.07060	5.7
181.05142	4.0
183.10257	10.4
189.05559	10.6
197.04517	8.2
199.03848	4.0
209.04488	13.1
221.04633	4.7
221.08173	11.7
222.08595	3.5
258.04977	4.0
263.09186	6.2
270.06589	3.9
273.07614	16.8
284.03247	59.4
285.03986	100.0
286.04315	7.7
307.17441	6.7
315.08704	70.7
316.08948	4.7
327.12411	7.2
345.09766	18.0
369.13306	14.4
374.99084	4.3
376.70383	4.1
399.14355	10.7
413.16019	95.5
414.16309	7.6
443.17056	38.7
452.17645	4.1
489.10306	86.9
490.10846	6.6
495.12927	7.1
515.19025	7.8
533.24988	22.0
533.31158	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	533.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.8
57.39457	1.3
59.01371	12.3
61.98820	13.3
63.02404	2.0
65.00314	10.5
71.01381	6.6
71.22946	2.6
73.02915	2.3
81.03453	3.3
81.90372	1.6
83.01387	5.7
83.05009	3.0
85.02939	2.2
85.63927	1.4
89.02457	2.6
92.48185	1.3
93.03457	9.7
96.96022	3.1
97.02952	2.4
99.00880	1.3
101.02440	3.1
101.06078	2.5
107.01378	17.5
109.02924	5.6
110.86140	1.2
111.04476	6.9
113.02413	3.3
117.03459	3.1
119.04996	7.8
121.02968	5.9
123.04473	3.1
125.02432	31.3
133.02986	1.9
135.04509	78.6
137.02419	12.3
139.03963	6.0
145.02945	16.6
146.03334	1.3
147.04498	5.3
148.05298	3.2
149.02399	4.2
151.00357	100.0
152.00705	2.1
159.04559	5.9
161.02441	3.0
161.04825	1.8
161.06013	9.1
163.03986	9.0
163.07716	1.7
165.01813	2.5
167.03455	3.6
175.03979	1.2
177.01961	1.3
179.07068	1.5
179.10771	2.9
185.06068	5.4
187.03978	1.9
187.07591	1.9
187.42824	1.3
189.05464	1.4
201.05429	1.5
203.07091	1.9
207.02942	5.4
223.09712	4.5
225.05620	1.5
227.07138	2.6
229.04976	4.2
231.06638	9.8
243.06580	1.6
249.11121	1.3
269.04401	1.6
271.06009	4.8
283.06018	4.3
284.03207	16.8
285.04022	25.3
286.04294	1.5
287.05588	68.4
288.05893	2.5
315.08774	4.1
359.08875	1.2
371.24234	2.5
377.10281	20.9
395.11261	3.1
413.16132	7.4
419.81772	1.2
429.24609	2.1
443.16855	1.7
447.25934	3.0
489.10324	26.5
489.26727	9.3
490.10654	1.9
533.16479	33.1
533.23920	8.1
533.31055	12.4
534.16901	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	533.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.8
57.39457	1.3
59.01371	12.3
61.98820	13.3
63.02404	2.0
65.00314	10.5
71.01381	6.6
71.22946	2.6
73.02915	2.3
81.03453	3.3
81.90372	1.6
83.01387	5.7
83.05009	3.0
85.02939	2.2
85.63927	1.4
89.02457	2.6
92.48185	1.3
93.03457	9.7
96.96022	3.1
97.02952	2.4
99.00880	1.3
101.02440	3.1
101.06078	2.5
107.01378	17.5
109.02924	5.6
110.86140	1.2
111.04476	6.9
113.02413	3.3
117.03459	3.1
119.04996	7.8
121.02968	5.9
123.04473	3.1
125.02432	31.3
133.02986	1.9
135.04509	78.6
137.02419	12.3
139.03963	6.0
145.02945	16.6
146.03334	1.3
147.04498	5.3
148.05298	3.2
149.02399	4.2
151.00357	100.0
152.00705	2.1
159.04559	5.9
161.02441	3.0
161.04825	1.8
161.06013	9.1
163.03986	9.0
163.07716	1.7
165.01813	2.5
167.03455	3.6
175.03979	1.2
177.01961	1.3
179.07068	1.5
179.10771	2.9
185.06068	5.4
187.03978	1.9
187.07591	1.9
187.42824	1.3
189.05464	1.4
201.05429	1.5
203.07091	1.9
207.02942	5.4
223.09712	4.5
225.05620	1.5
227.07138	2.6
229.04976	4.2
231.06638	9.8
243.06580	1.6
249.11121	1.3
269.04401	1.6
271.06009	4.8
283.06018	4.3
284.03207	16.8
285.04022	25.3
286.04294	1.5
287.05588	68.4
288.05893	2.5
315.08774	4.1
359.08875	1.2
371.24234	2.5
377.10281	20.9
395.11261	3.1
413.16132	7.4
419.81772	1.2
429.24609	2.1
443.16855	1.7
447.25934	3.0
489.10324	26.5
489.26727	9.3
490.10654	1.9
533.16479	33.1
533.23920	8.1
533.31055	12.4
534.16901	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	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78764	0.7
59.01375	49.1
61.98820	2.4
69.54041	4.9
71.01374	10.5
73.02949	2.2
83.01411	0.9
85.02942	2.0
87.00880	1.3
89.02435	10.2
96.96008	1.4
101.02423	9.4
106.12811	0.7
113.02436	4.8
117.03459	26.1
119.03539	3.7
119.05016	12.7
121.02987	1.0
122.57096	0.7
125.44221	0.7
133.05626	0.7
133.06595	1.8
145.02936	100.0
146.03276	2.9
161.06029	4.5
163.03992	15.3
163.11247	4.6
177.05569	1.8
205.05020	4.3
207.10223	10.1
210.84546	0.7
265.07062	1.9
284.03186	5.5
285.03989	6.9
353.23383	1.4
369.15372	1.0
371.24277	6.6
377.88992	0.7
387.16553	99.0
388.16827	6.1
473.17947	1.1
489.10471	6.3
490.10577	1.1
533.19958	64.5
533.28931	2.8
534.20728	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.93928	0.4
57.03436	1.4
58.00582	1.3
59.01375	44.8
61.98821	2.1
63.02394	0.7
69.89058	1.6
71.01377	11.5
72.99302	0.8
73.02945	2.2
83.01379	1.7
85.02946	2.7
87.00861	1.0
88.98750	0.4
89.02435	11.3
93.03465	1.3
95.01382	1.0
95.05011	0.4
96.96003	3.8
97.02975	0.5
99.00841	0.8
101.02435	8.9
103.24096	0.4
107.01382	1.1
109.02938	0.6
109.06577	0.5
113.02432	5.9
117.03452	20.4
118.03838	0.5
118.98056	0.6
119.03539	4.6
119.05006	13.1
120.05350	0.4
120.99564	0.4
121.02950	1.4
125.02435	8.4
131.03474	0.4
132.05751	0.6
133.02979	1.5
133.06610	2.1
134.03694	0.6
137.02431	0.7
139.03951	0.6
143.03528	0.6
145.02933	84.5
146.03230	2.2
147.04535	0.5
149.02373	0.5
149.06018	0.4
151.00374	2.3
161.04671	0.8
161.06027	5.2
163.03984	14.2
163.11259	13.7
164.04385	0.5
164.11531	0.5
173.06036	0.7
175.04030	0.9
177.05519	2.6
178.99850	1.1
179.03487	0.4
179.05505	0.5
183.00117	0.4
183.10252	1.2
187.04016	0.6
191.05582	0.6
193.04964	0.5
197.11847	0.9
199.04005	0.6
200.04642	0.4
205.05005	5.1
207.02924	0.7
207.10249	5.8
209.11990	0.4
215.07082	0.8
225.03957	0.4
225.11328	1.4
235.06123	1.5
236.02916	0.4
241.05032	0.5
256.03732	1.0
259.06097	6.8
265.07132	2.8
283.05930	0.7
284.00552	0.3
284.03210	14.3
285.03983	25.0
286.04367	1.4
287.05533	3.2
327.05167	0.5
329.89282	0.4
343.32214	0.4
353.23605	0.5
357.15677	0.4
369.15576	1.3
371.24344	1.6
387.16534	100.0
388.16885	6.0
409.12878	0.4
447.09280	0.5
473.18173	1.1
489.10327	23.0
490.10809	1.8
497.21884	0.5
505.17224	1.4
533.20325	41.0
533.29639	6.6
534.20496	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01374	12.2
61.13239	1.0
61.98822	9.3
63.95409	1.1
65.00336	1.1
71.01363	2.6
71.05009	1.2
71.59200	1.7
71.67659	1.3
72.99283	1.1
73.02927	1.5
81.03456	9.0
83.01367	4.5
85.02939	1.3
87.00842	1.4
89.02422	1.3
90.27280	1.0
93.03468	6.5
95.01355	1.5
95.05006	6.1
96.96005	3.0
97.02939	4.3
97.06592	1.5
99.04489	3.4
105.03367	1.1
109.02902	1.9
111.04545	1.5
113.02441	1.9
119.05000	12.9
120.99634	2.1
121.02921	2.2
122.03680	1.8
123.04502	14.3
125.02436	21.6
133.02975	1.2
135.04498	5.0
135.08101	2.4
137.02370	4.6
137.06059	9.9
139.03944	3.8
145.02893	3.2
146.07513	1.0
147.04475	3.1
149.06172	1.2
149.09689	2.4
151.00313	1.7
151.07576	1.3
155.03424	2.0
163.03973	1.5
163.07628	2.1
165.01886	1.1
165.05566	8.7
166.02632	1.1
167.03476	54.9
175.03981	1.1
175.07585	1.6
175.11081	1.2
177.05528	1.8
177.09213	5.3
179.03493	9.3
179.07127	5.5
181.05049	1.9
183.01175	2.1
189.05548	8.3
191.03401	1.6
191.07114	1.6
191.10712	1.6
193.08734	1.4
197.04620	6.2
209.04510	16.0
217.00175	1.1
219.10179	2.8
221.04559	2.4
221.08131	12.6
229.08372	1.2
233.08102	4.8
235.09528	1.4
239.05536	1.6
254.57755	1.2
256.03894	1.6
263.09116	4.7
265.10739	1.1
271.09680	1.6
273.07623	14.0
275.09103	2.0
284.03189	14.8
285.04044	22.0
285.07474	2.8
286.04211	1.4
315.08710	76.5
316.09006	2.7
327.12268	4.0
339.12384	1.3
345.09760	21.0
369.13361	19.9
370.13733	1.5
371.14713	3.8
399.14453	7.3
413.15991	100.0
414.16217	7.7
425.15839	3.8
443.17053	48.2
444.17227	3.6
489.03540	1.6
489.10324	22.6
515.19037	6.0
533.19965	11.9
533.27734	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
57.16629	0.3
59.01376	3.4
64.48656	0.3
67.01879	0.7
70.95193	0.6
70.95542	0.6
71.01384	2.9
72.99295	0.4
73.02953	0.4
75.00845	0.5
77.86935	0.3
83.01373	0.5
85.02430	0.6
85.02947	12.6
87.00873	6.1
89.02415	0.7
93.03453	2.4
95.05039	0.3
99.00863	1.1
101.02425	1.1
103.00373	0.3
109.02937	0.4
111.00859	0.4
111.04527	1.0
112.98812	0.8
117.01925	0.6
127.04004	2.3
129.01936	6.4
142.99875	0.6
145.01421	0.6
147.02992	2.8
171.02962	0.5
173.04546	0.7
183.64728	0.4
191.02031	8.2
191.05600	100.0
192.05930	2.2
197.04599	0.6
280.23181	0.3
313.43246	0.4
533.13153	6.9
534.13538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03449	2.8
57.73280	0.4
59.01375	2.0
60.13029	0.3
67.01875	0.7
70.95065	0.6
71.01367	1.4
73.02940	0.4
85.02946	12.9
87.00874	6.2
87.01366	0.7
89.02435	0.8
93.03472	2.7
99.00843	0.8
101.02448	1.1
109.02935	0.6
111.00849	0.5
111.04488	1.0
127.03992	2.1
129.01935	7.8
147.02977	2.9
148.94917	0.7
149.03235	0.4
171.03000	0.4
173.04497	0.9
191.02002	10.6
191.05595	100.0
192.05986	2.2
211.17206	0.4
289.26242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.2
59.01373	9.4
61.98819	7.4
65.03934	1.3
66.33228	1.4
69.03456	1.7
70.17619	5.2
71.01368	6.6
73.02966	1.4
81.03437	8.4
83.01369	11.9
83.05008	9.3
85.02938	2.0
89.02435	2.2
89.77396	1.2
90.35015	1.2
93.03448	43.5
95.01419	2.5
95.05014	3.7
96.96003	17.9
97.02928	9.7
98.20531	1.5
101.02493	2.8
107.05022	2.1
109.02935	35.9
111.04506	39.8
112.04857	1.2
113.02448	3.9
117.03436	7.5
119.03451	1.3
119.05030	9.8
121.02922	6.6
122.03724	2.2
123.04509	26.4
125.02432	71.3
126.02763	1.7
131.05000	2.7
133.02931	12.2
135.04512	5.3
137.02431	54.9
137.03487	2.8
139.03986	6.7
139.07596	2.9
143.05043	1.9
145.02937	23.2
145.06590	3.8
146.03687	4.4
147.04506	100.0
149.02431	23.8
150.03175	1.9
151.03966	12.3
151.07623	1.4
157.06563	3.3
159.03209	1.6
159.04491	29.6
160.01653	2.5
161.02434	12.4
161.06046	31.4
162.03226	2.3
163.04039	6.0
163.07628	3.0
164.01117	2.4
165.01903	16.6
167.04904	1.3
169.06650	1.4
171.04488	3.5
173.06027	2.6
174.03159	3.0
175.04030	6.4
175.07649	1.6
177.01857	8.5
177.05571	3.5
178.02692	1.7
179.03464	4.2
179.10738	1.6
181.06613	2.5
183.04477	5.5
183.08089	1.6
184.05035	1.4
185.06044	29.6
186.06560	1.4
187.03995	9.1
187.07652	11.4
189.05548	4.0
191.03491	1.8
192.00665	2.4
193.15956	1.3
195.04475	2.2
196.05267	3.5
197.05991	5.9
199.03929	2.5
199.07751	1.8
201.05464	8.4
201.09303	1.9
202.06335	2.3
203.07109	18.0
205.05002	11.6
209.06081	18.0
210.06519	1.5
211.03923	7.2
211.07594	2.9
212.04752	2.9
213.01964	2.0
213.05540	11.5
215.03442	2.4
215.07045	10.9
217.05037	1.4
221.06126	1.8
221.08214	1.8
225.05565	4.8
226.06339	2.1
227.03458	5.4
227.07100	17.1
229.05029	16.1
229.26549	1.5
230.05721	4.4
231.03017	2.4
231.06573	39.5
235.06046	1.6
239.03497	12.3
239.07100	5.3
240.04216	3.5
241.05035	6.8
241.14438	4.1
243.06531	8.3
244.07243	2.0
245.08138	10.5
247.06096	4.7
253.05034	9.4
254.05194	1.6
255.06596	5.7
257.08167	1.8
259.05951	1.8
265.04944	6.3
267.02948	12.7
269.04550	2.9
270.05106	1.5
271.06091	33.8
281.04446	2.2
283.06015	19.5
284.03226	12.9
285.04037	15.7
289.07129	20.8
291.07047	1.3
291.10190	5.2
301.07083	4.2
314.04236	1.6
315.05038	3.4
315.10233	8.5
323.30142	1.5
333.11169	8.9
341.10046	2.2
347.09198	1.4
351.12161	2.6
353.10254	2.2
359.09232	6.7
365.10065	8.3
373.07114	1.6
377.10251	89.6
378.10654	9.4
383.05164	1.2
383.11102	3.1
385.18607	10.2
391.08154	50.1
392.08502	4.0
394.10413	2.1
395.11279	60.7
396.11609	4.8
403.08197	4.0
421.09106	8.5
456.78580	1.3
471.14368	11.5
472.14548	1.8
479.11316	2.9
487.13681	3.7
489.10190	16.6
489.16318	1.8
490.10733	1.8
495.21884	2.1
497.12408	35.8
498.12772	4.1
505.14871	2.2
515.13245	10.7
533.14349	8.2
533.23340	5.9
533.30304	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03442	7.3
59.01374	10.6
61.98834	5.2
65.00288	1.0
66.10193	0.7
69.03452	0.9
69.39235	4.0
71.01381	3.9
71.59087	0.7
73.02945	1.6
81.03456	5.8
82.03773	0.7
83.01379	7.0
83.05013	8.5
85.02950	1.5
89.02427	1.1
93.03444	30.9
95.01396	1.2
95.05032	0.8
96.95985	1.9
97.02929	1.7
101.02456	3.5
107.05017	0.8
109.02941	14.1
111.00880	1.4
111.04507	29.0
113.02459	1.9
115.05533	0.9
117.03477	5.0
119.05011	6.8
121.02941	2.9
121.03710	0.7
123.00858	0.7
123.04527	4.0
124.01631	0.9
125.02431	60.2
131.05006	1.5
131.65401	0.6
133.02869	1.7
133.06589	1.4
134.03728	0.8
135.04515	6.0
137.02431	37.2
138.02718	1.1
139.03975	1.1
141.07034	0.7
143.04993	1.6
145.02940	18.9
145.06584	1.6
146.03670	2.8
147.04503	7.5
149.02432	8.5
151.03976	2.3
157.06580	1.3
159.04488	23.5
161.02443	3.6
161.04733	0.9
161.06053	23.6
163.03976	3.8
163.07614	1.4
164.01103	0.9
165.01941	4.1
167.03505	1.6
167.04958	1.6
169.06563	0.8
171.04498	1.7
171.10173	0.7
174.03186	1.9
175.03973	1.6
177.01878	2.4
179.03528	1.4
181.06616	1.6
183.04501	2.3
183.10175	0.7
184.05199	1.0
185.02501	0.9
185.06042	25.4
186.06273	0.7
187.03967	8.6
187.07613	9.9
188.07875	0.7
189.05580	1.7
193.06468	0.8
195.04532	0.9
196.05341	1.8
197.06047	2.3
199.03900	0.8
199.07651	1.0
201.05524	4.2
202.06367	0.9
203.07097	6.3
205.05016	2.8
209.06050	15.8
210.06538	1.0
211.03917	5.0
211.07668	0.9
212.04729	1.5
213.01881	1.9
213.05522	3.5
215.03429	1.5
215.07133	2.3
217.05016	1.8
221.06154	1.1
225.05545	3.8
226.06288	1.3
227.03648	3.1
227.07104	14.2
228.07533	0.8
229.05023	16.3
230.02017	0.9
230.05721	1.5
231.06577	38.6
232.06889	1.6
237.05594	1.3
238.06241	0.8
239.03499	0.8
239.07161	5.7
240.04124	0.7
241.04950	2.5
243.06505	3.4
245.08145	1.6
247.06201	0.7
253.05016	7.6
255.06593	4.6
256.03772	1.2
258.58649	0.7
265.04910	5.3
269.04694	0.7
270.05151	1.1
271.06073	21.8
283.06082	13.8
284.03287	9.1
284.06302	1.4
285.03970	12.0
286.04318	1.2
289.07040	4.1
289.28424	0.8
291.10233	4.6
301.07294	1.3
315.05038	1.5
315.10138	10.2
316.10455	0.8
333.11359	6.5
333.20462	1.6
345.09940	1.0
359.09161	6.2
365.10242	2.1
371.24292	1.8
377.10236	100.0
378.10645	6.6
389.25632	0.8
391.08191	4.7
395.11264	14.7
396.11609	1.0
413.15872	2.8
421.09204	2.1
429.24710	2.8
447.26059	6.3
471.14719	1.8
489.10367	13.1
489.26910	11.2
497.12317	2.5
515.13403	1.1
533.14520	2.7
533.23682	6.1
533.30896	1.2
534.23877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14505	0.5
63.02380	0.6
65.00339	0.6
69.47913	3.9
69.48238	1.0
72.70013	0.5
83.01417	1.0
91.66714	0.6
96.48779	0.5
107.01385	1.6
132.02187	0.5
133.02875	2.5
134.03741	0.9
142.19820	0.5
149.02432	0.9
151.00357	2.3
175.03996	1.0
177.01871	0.7
199.03984	1.3
211.04015	0.7
227.03496	1.3
255.02972	1.1
256.03674	2.5
284.03229	48.4
285.04013	72.8
286.04419	2.0
344.13071	0.6
447.09149	1.5
489.10333	100.0
490.10669	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	533.0933
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.78299	0.5
59.01097	1.2
59.01376	17.1
59.19267	0.6
65.00311	0.8
69.77065	2.3
71.01393	2.6
73.02930	0.6
80.84114	0.5
83.01370	0.6
85.02932	0.9
87.00867	4.4
89.02438	3.0
93.03458	2.2
95.05029	0.7
96.95995	7.6
98.19890	0.6
101.02435	2.6
107.01366	1.4
109.02946	1.9
109.06567	0.8
113.02419	0.9
117.03456	5.2
119.03506	1.0
119.05001	5.3
121.02945	2.1
133.02951	6.2
133.06577	0.9
135.04492	2.0
137.02419	2.6
137.06062	7.4
145.02934	22.6
146.03209	0.7
149.02397	1.4
151.00349	5.1
161.04663	0.9
161.06056	2.0
163.03984	8.9
163.11267	10.1
175.03963	2.1
181.05049	12.7
199.03961	1.6
205.05028	1.8
217.05037	1.8
241.04950	1.0
243.02914	0.8
256.03729	2.6
265.07166	1.0
284.03226	13.0
285.04004	100.0
286.04285	3.9
387.16547	41.4
388.16977	2.0
436.10141	1.2
445.11374	3.0
447.09146	0.6
473.19611	0.9
489.10355	35.5
490.10843	2.7
516.88422	0.6
533.12836	9.1
533.20313	14.3
534.20709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45939	0.3
61.25497	0.2
61.98823	100.0
71.62498	0.3
115.25542	0.3
140.93488	0.3
227.67625	0.3
285.04218	0.4
425.34210	1.7
462.17062	0.4
469.33151	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	533.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
63.02378	0.8
65.00320	1.1
70.26725	2.2
74.99079	0.8
76.63327	0.5
79.29982	0.6
83.01390	0.9
96.95980	5.7
107.01372	2.1
109.02944	0.6
115.88407	0.6
120.99580	0.7
125.02372	1.1
131.85904	0.6
133.02962	5.1
134.03676	0.8
148.47253	0.7
149.02451	1.3
150.03339	0.6
151.00388	4.5
154.07243	0.6
167.03564	0.7
168.29877	0.6
175.04050	1.0
183.04619	0.6
197.04372	0.8
199.03909	1.8
201.01874	0.7
209.11653	0.7
211.03940	1.4
212.04907	0.9
215.03552	0.6
217.04987	0.7
227.03494	2.4
251.09087	0.6
255.03044	0.8
256.03738	2.8
257.04413	0.7
269.04382	1.6
284.03210	67.2
285.03995	81.5
286.04297	3.1
287.09290	1.5
293.10239	2.8
297.03931	1.1
323.11298	1.2
327.05042	2.0
371.11548	0.9
419.95590	0.6
429.08151	12.7
430.08630	0.8
447.09293	1.1
489.10294	100.0
490.10617	7.9
502.86823	0.6
533.17456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58873	0.7
50.86877	0.6
57.03437	1.1
57.68803	0.6
59.01368	6.0
61.48049	0.6
61.98831	3.1
71.01375	16.0
71.05023	1.1
71.62761	0.6
71.63225	0.8
72.99323	0.9
73.02985	0.6
80.72338	0.7
82.95394	1.3
83.05028	1.2
85.02926	0.8
85.06575	4.7
87.00909	0.6
87.04513	1.3
89.02380	1.5
96.95998	3.7
101.02458	0.8
111.04536	0.7
111.08131	2.3
112.98587	0.7
113.02452	1.5
117.03413	0.8
121.02943	0.7
121.06586	0.8
123.08121	1.1
125.09718	1.9
131.07129	24.6
131.08121	1.2
137.02458	1.0
137.09680	1.4
139.11243	1.5
145.02905	2.0
150.03198	0.9
153.12868	0.9
161.02426	1.2
163.03917	0.7
167.81573	0.6
178.02437	0.7
179.38568	0.7
185.09753	1.0
201.12817	1.1
216.11522	24.9
217.15919	1.2
219.13884	3.2
229.12331	1.6
229.16052	2.3
231.13829	2.1
233.15236	0.8
235.16989	9.2
248.10504	1.9
255.03012	2.7
278.75580	0.6
283.02701	3.6
283.05368	0.8
284.03183	2.6
285.03766	1.1
309.63358	0.7
311.05615	1.9
312.05701	0.7
355.26184	1.1
369.17413	0.8
369.24268	7.6
371.25784	2.4
381.27859	3.7
384.26575	8.2
397.27353	1.0
399.29004	47.9
400.29398	3.6
411.24948	3.1
425.26935	3.7
427.28470	100.0
428.28833	8.5
441.26355	1.3
455.27954	3.3
459.27545	2.9
471.27380	5.0
499.26971	70.9
500.27338	4.9
509.59830	0.7
531.16827	0.9
531.29620	18.6
532.29791	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	531.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62088	0.4
56.25576	0.5
57.03468	0.5
58.00605	0.6
59.01370	8.1
59.01633	0.6
61.98833	1.1
68.57470	0.4
70.04600	0.5
70.37082	1.3
71.01369	4.6
72.99306	0.7
73.02949	0.9
81.28878	0.5
85.02950	0.8
87.00900	0.5
89.02421	2.8
93.03442	1.5
95.01399	0.5
96.96015	1.8
99.04491	0.9
101.02412	2.9
103.70408	0.4
111.06081	0.4
113.02448	2.5
115.09564	0.4
117.03452	28.7
119.05013	28.6
120.05394	0.5
121.02931	1.9
123.04507	0.6
131.48346	0.5
132.05775	1.2
133.06581	5.3
137.02414	1.3
137.09712	0.4
143.44632	0.5
145.02937	100.0
146.03267	2.5
147.04492	1.1
153.09167	0.8
159.04520	0.7
161.02415	1.7
161.04764	0.5
161.06070	14.6
163.03992	38.1
164.04324	0.5
177.05545	5.1
187.03992	2.6
191.05678	0.6
205.05029	24.5
205.12285	1.0
206.05318	0.8
217.05003	0.6
229.14458	0.5
235.06079	26.1
236.06409	1.0
253.04994	0.9
265.07129	51.8
266.07437	1.9
307.08191	3.0
325.09210	10.8
354.76456	0.5
487.19296	0.8
493.20557	1.0
495.22073	3.0
531.22058	29.8
532.22626	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32365	0.4
57.03443	0.5
59.01091	0.6
59.01376	8.1
61.98817	1.3
69.51490	2.6
69.51830	0.5
71.01376	4.2
73.02972	0.7
83.01389	0.4
85.02946	1.4
87.00868	1.0
88.67018	0.4
89.02436	5.3
93.03453	1.1
94.42146	0.3
96.96004	0.5
97.06572	0.4
98.19875	0.5
101.02438	6.3
107.81857	0.3
111.08131	0.6
113.02426	2.3
115.37832	0.3
119.03494	1.5
143.03482	0.4
161.04530	3.0
165.23581	0.3
167.10727	0.3
171.10248	1.5
173.04553	0.6
177.12901	0.4
179.05600	1.0
191.05606	1.4
195.13867	8.7
196.14473	0.7
205.12334	0.5
205.15950	0.7
211.13274	0.4
223.13382	4.8
228.13623	0.5
231.21086	0.5
235.08215	0.4
238.35036	0.4
253.09247	29.1
254.09660	0.7
256.13126	1.1
265.21518	0.4
275.20093	6.9
285.03821	0.5
291.19604	1.2
292.19925	1.2
293.21182	100.0
294.21469	6.0
306.90857	0.3
447.09146	0.5
450.13190	0.4
492.22021	0.7
529.29810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38269	0.2
59.01358	0.4
59.33642	0.3
61.98824	1.2
78.26626	0.2
78.95899	16.9
83.77408	0.2
85.38384	0.3
94.21093	0.2
98.19829	0.5
134.98471	0.3
152.99599	2.6
168.04308	3.0
191.05563	0.4
224.06917	7.7
233.25835	0.2
237.22136	0.3
242.07977	1.9
255.23271	100.0
256.23639	5.7
312.42252	0.2
343.34085	0.3
427.85065	0.3
480.30899	68.7
481.31244	4.8
507.64996	0.3
552.00983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1497
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
55.66285	0.3
61.98837	1.7
63.02392	1.3
64.55383	0.3
65.00329	1.3
69.28680	0.8
69.29096	2.0
73.03664	0.3
83.01370	1.8
85.02917	0.3
89.02419	0.7
93.03443	0.6
96.95987	0.4
98.20737	0.4
101.02438	1.0
107.01380	2.9
109.02917	0.8
113.02448	0.3
117.03450	0.8
119.03555	0.4
119.05015	0.9
121.02946	1.1
125.02445	0.7
132.02124	0.4
133.02942	4.6
134.03737	1.4
135.04474	0.3
137.02428	0.5
141.66927	0.3
145.02954	4.0
148.01631	0.6
149.02431	1.5
149.04520	0.4
149.99521	0.6
151.00340	5.7
161.02380	0.8
163.00240	0.3
163.03932	0.9
167.03526	1.5
171.04475	0.4
173.02647	0.3
175.04002	2.0
177.01903	1.1
183.04451	0.7
184.05293	0.3
185.06088	0.5
187.03954	0.4
188.04752	0.5
189.01950	0.8
197.06073	0.4
199.03993	1.6
200.04697	0.8
201.01907	0.7
211.03963	1.4
212.04778	0.6
213.05461	0.4
214.02625	0.4
215.03464	0.7
216.00647	0.6
217.01451	0.5
217.05026	1.1
227.03503	2.6
229.01439	0.3
229.04994	0.4
239.03436	0.9
241.04993	0.8
242.02197	0.4
243.02861	0.6
255.02960	1.3
256.03714	5.3
267.02798	0.6
271.06119	0.4
283.02533	0.6
283.05914	0.3
284.03232	80.5
285.03998	96.8
286.04379	4.4
311.05579	0.6
323.05704	0.5
327.05075	1.0
411.14749	0.4
419.11508	1.5
493.20721	0.5
513.15369	0.7
531.15009	100.0
532.15369	9.5
532.21130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47356	0.4
57.21846	0.4
57.44619	0.4
59.01371	7.2
61.98829	6.6
63.11025	0.4
68.99562	7.6
71.01374	3.1
72.76720	0.4
73.02943	1.4
80.91672	0.5
83.05020	1.2
84.95084	0.4
85.02940	1.3
89.02428	1.6
92.19443	0.5
93.03426	0.6
96.95990	1.6
97.06554	0.5
99.00879	0.5
101.02451	2.8
109.02925	0.5
112.98549	6.6
113.02431	1.5
116.77587	0.5
117.03454	19.5
118.03778	0.6
119.03484	0.5
119.05016	10.8
121.02941	2.0
122.03275	0.7
123.04422	0.5
125.02402	0.7
125.09713	0.8
133.02975	0.7
133.35072	0.4
135.04620	0.5
137.02431	0.7
145.02937	100.0
146.03290	2.3
149.09705	2.5
153.09206	0.5
159.04433	0.4
161.02448	3.5
161.04535	0.6
161.06047	1.2
163.03987	16.2
177.01996	0.5
177.05519	0.7
180.49359	0.4
182.30838	0.4
185.11853	1.0
205.04941	2.1
231.50769	0.4
235.06110	0.7
265.07108	1.5
307.08136	1.0
316.23856	0.4
493.20737	94.2
494.21042	7.6
529.17975	0.5
529.27539	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	529.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01661	0.4
59.01376	6.8
61.98823	6.7
62.57981	0.4
63.29800	0.4
65.53689	0.4
68.86622	0.4
68.99563	6.0
71.01382	3.1
73.02952	1.3
80.91663	0.7
83.01379	0.4
83.05000	0.8
85.02943	1.4
89.02430	1.3
93.03407	0.5
95.05032	0.5
96.95987	1.6
99.00887	0.5
101.02441	2.2
112.98547	6.9
113.02441	1.1
116.28513	0.4
117.03452	19.7
118.03736	0.5
119.03542	0.5
119.04218	0.7
119.05013	8.9
121.02938	1.3
123.04500	1.0
125.02419	0.8
125.09720	0.6
133.02956	0.5
133.06619	0.5
135.04512	0.7
137.02440	0.6
139.04024	0.5
145.02934	100.0
146.03288	2.7
149.09702	1.6
155.10721	0.7
161.02419	3.7
161.04581	0.7
161.06059	1.1
163.03993	16.4
163.05386	0.8
164.04379	0.6
167.10713	0.7
177.05617	0.6
185.11800	0.8
205.04971	1.3
235.06149	0.6
265.07104	1.3
307.08029	1.1
384.58960	0.4
409.12979	1.0
475.19070	0.5
493.20731	82.8
494.21060	6.2
529.16986	0.9
529.26660	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	529.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30793	0.7
59.01373	11.1
61.77053	0.7
61.98824	0.8
65.65876	0.6
69.46845	0.7
69.78660	1.4
69.79069	2.6
71.01379	7.4
72.99303	1.3
73.02926	0.9
77.56728	0.6
79.17664	0.7
80.11723	0.7
80.91697	0.8
81.52843	0.7
83.01379	2.1
85.02959	2.9
85.83294	0.6
87.00872	0.9
89.02435	7.3
96.96011	2.7
97.02930	0.8
99.00890	3.9
100.01659	1.1
101.02434	4.8
111.00877	4.0
112.57378	0.7
113.02432	2.4
113.99580	16.5
115.00389	6.7
119.03493	3.8
119.05039	0.6
123.04562	0.9
124.01622	1.6
125.02423	2.6
128.01109	1.5
139.00334	0.9
143.03487	0.7
145.02995	0.8
149.99570	1.6
156.00630	32.4
157.01422	2.1
161.04599	1.2
163.72227	0.8
168.00587	1.6
174.01675	100.0
175.02304	3.1
179.05630	1.7
187.11430	0.7
284.03293	3.0
285.04050	6.0
287.16541	1.3
367.21188	0.8
429.21207	2.2
447.09256	6.5
448.10199	1.1
469.20657	7.3
511.21780	1.9
529.15778	2.9
529.22638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03453	0.3
58.00605	0.4
59.01375	6.7
60.46065	0.2
61.98842	0.9
69.03461	0.2
71.01376	4.7
71.01748	0.3
71.62811	0.3
72.99304	0.4
73.02950	0.7
79.10994	0.2
83.01387	0.5
83.05018	0.3
85.02951	1.4
87.00892	1.0
87.36053	0.2
89.02441	5.2
89.02978	0.3
95.01411	0.4
96.96026	0.4
97.06591	0.3
101.02435	6.1
101.03067	0.4
111.08181	0.4
113.02439	2.6
113.09759	0.3
119.03496	1.9
121.82571	0.2
143.03519	0.8
161.04532	2.8
174.23209	0.2
177.12854	0.4
179.05583	0.8
179.14392	1.0
181.12355	0.3
191.05594	0.3
195.13878	8.8
196.14494	0.5
203.17860	0.3
205.12416	0.5
205.15970	0.4
211.13390	0.7
223.13370	5.6
228.13608	0.9
231.21190	0.3
235.08110	0.5
235.17012	0.6
247.77753	0.2
253.09264	31.7
254.09625	0.9
256.13031	1.4
265.21521	0.4
275.20139	6.5
285.04147	0.3
293.21194	100.0
294.21524	6.2
362.58572	0.2
373.83417	0.3
432.12958	0.3
442.29358	0.3
447.09259	0.3
492.22070	0.9
529.07428	0.5
529.29919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1555
Annotation	Pikuroside
Peak:m/z	Relative Intensity
52.49268	0.5
57.03441	1.0
59.01373	2.0
60.99310	3.7
61.98814	0.7
65.03951	0.9
67.01884	9.5
69.03431	1.7
69.79652	2.5
71.01387	2.9
73.02940	0.5
77.43540	0.5
81.03452	2.2
83.05017	1.5
85.02945	5.0
87.00869	12.6
93.03452	64.5
94.03785	0.7
95.01355	0.6
96.96004	3.1
99.00871	1.2
99.04514	0.5
105.10622	0.5
109.02938	1.3
111.00895	0.5
111.04506	7.8
113.02442	0.5
115.03987	0.6
120.85719	0.5
121.02952	0.6
125.02420	1.2
127.04005	1.3
129.01917	1.9
134.03734	16.1
137.02431	2.4
139.04100	0.7
149.06068	5.1
155.03534	2.5
160.01610	0.6
171.94670	0.6
173.04530	17.8
174.04904	0.7
175.04015	1.2
177.01894	0.9
178.02699	10.5
179.03346	1.0
191.05591	100.0
192.05943	1.6
193.05035	24.7
367.10294	20.9
368.10626	1.2
409.11359	2.3
529.15570	91.0
530.16064	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	529.1556
Annotation	Pikuroside
Peak:m/z	Relative Intensity
55.09266	0.5
56.65736	0.5
57.03440	2.2
57.54480	0.6
59.01375	2.4
60.99305	4.8
61.98816	3.4
62.77328	0.6
65.03954	0.7
67.01886	14.2
69.03458	4.1
70.27338	0.6
71.01378	5.3
71.61964	0.9
74.17219	0.6
74.99084	0.6
81.03455	2.8
83.05010	2.3
85.02933	2.3
87.00869	18.9
89.02423	0.7
93.03450	100.0
93.89693	0.6
94.03780	1.5
96.96001	16.2
97.02929	0.6
98.95575	2.5
99.00867	1.8
99.04515	1.2
109.02925	1.1
111.04516	12.0
113.02424	1.6
115.04012	1.2
121.02961	0.8
123.04496	0.7
125.02427	2.1
126.83438	0.6
129.01909	2.6
134.03722	16.1
136.99080	1.1
137.02399	1.7
141.90302	0.6
143.03445	1.1
149.06081	4.7
151.03899	0.7
155.03487	2.6
165.05524	1.3
167.03479	0.8
173.04529	58.1
174.04869	1.5
177.01894	1.4
178.02678	4.4
191.05589	18.8
193.05025	13.1
203.18484	0.5
213.14581	0.7
337.09238	0.9
367.10309	6.3
481.08008	0.6
529.15649	75.5
530.16071	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	529.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38055	0.1
58.58797	0.1
59.01369	0.2
60.20245	0.1
61.08677	0.1
61.98840	0.2
65.65202	0.1
70.62985	0.1
71.46975	0.2
77.03967	0.2
83.05019	0.8
86.89668	0.1
93.03459	2.3
95.05018	10.5
96.05369	0.1
111.04518	0.2
113.06081	0.4
117.03468	0.2
121.02944	100.0
122.03281	2.2
123.04510	16.8
124.04848	0.2
137.02345	0.1
139.03984	1.0
145.02953	0.2
157.05042	27.7
158.05403	0.7
261.07590	2.0
262.07819	0.1
389.12067	0.2
493.20590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98825	100.0
62.49879	0.2
65.00336	0.2
69.50108	1.3
69.50466	0.1
71.01393	0.4
80.08774	0.2
83.01404	0.4
85.02940	0.2
89.02435	0.3
93.03462	0.3
95.01414	0.2
96.96006	2.0
107.59845	0.2
109.03006	0.2
120.99704	0.3
123.04554	0.4
125.02436	6.0
126.02778	0.3
149.02406	1.1
150.03168	0.2
151.00354	1.5
151.03922	0.2
153.01924	1.6
167.03557	0.4
169.94119	0.2
175.00485	0.3
175.02637	0.2
175.04015	0.8
177.01924	1.9
178.99861	1.4
181.01451	0.5
182.92790	0.2
189.05638	0.2
191.05679	0.6
195.03079	0.3
199.04042	0.3
205.01408	0.2
217.05113	0.4
241.05081	0.3
259.06110	0.4
275.05588	1.6
285.03979	4.0
299.05624	0.6
303.05075	16.4
304.05389	0.9
307.85349	0.2
330.97217	0.2
341.05161	0.9
343.06625	0.3
437.11249	0.2
447.09760	0.3
465.10355	3.0
466.10474	0.3
529.15857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00502	49.7
61.98800	69.0
71.46652	100.0
93.62620	57.3
97.27357	41.4
100.57687	46.6
109.08515	46.6
111.36693	38.5
128.89224	39.6
255.23199	81.6
287.38522	44.6
439.43716	51.1
527.29669	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	0.6
61.98832	0.7
63.74751	0.6
63.96234	0.7
63.98503	0.5
68.54025	0.5
69.84578	0.5
71.01368	6.2
71.58337	1.1
71.96647	0.5
72.52177	0.5
73.02932	1.3
78.98589	4.7
79.95735	7.7
80.96510	56.8
81.03452	1.0
85.02942	3.1
87.00862	3.2
94.98084	13.2
95.01353	0.7
95.38063	0.6
96.95998	1.7
97.02934	1.8
101.02434	2.3
106.98074	2.3
113.39675	0.6
122.97588	2.6
125.02415	2.8
127.03978	0.8
134.97552	4.7
136.99138	1.9
148.99132	4.9
152.98640	4.7
164.98627	10.4
206.99582	2.0
224.98598	1.1
225.00711	13.6
227.20067	2.2
299.04431	3.6
372.95386	0.6
527.25226	100.0
528.25543	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	527.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58068	0.9
59.01360	1.7
69.32307	4.1
69.32733	5.7
71.01375	6.5
75.77026	0.9
78.98579	5.5
79.95718	7.7
80.96510	48.6
85.02940	2.6
87.00872	2.4
94.98076	10.6
96.95998	8.1
97.02924	1.1
100.42716	1.0
101.02417	2.4
101.38132	0.9
106.09903	1.1
106.98083	2.7
120.99648	2.0
122.97617	2.6
125.02399	2.4
127.04079	1.3
134.97574	3.8
138.05727	0.9
148.99120	4.5
152.98640	5.8
164.98631	10.7
206.99693	2.5
209.11819	1.6
225.00745	16.1
225.02693	1.8
241.00136	2.5
285.04056	2.2
299.04425	4.0
321.20850	1.1
442.99747	1.1
483.26099	2.8
521.84357	1.0
527.04956	5.2
527.18024	100.0
527.25092	15.0
528.18280	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	527.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82574	0.5
59.01372	9.0
61.98822	7.7
68.99815	9.6
71.01379	4.7
71.63773	0.8
72.99270	0.5
73.02950	1.4
75.63970	0.5
80.69454	0.5
81.03442	2.8
83.01408	0.8
83.05016	16.1
85.02959	2.2
87.00866	0.7
88.98815	1.8
89.02431	1.7
89.84840	0.5
93.03465	1.7
95.01399	1.1
96.95994	1.2
97.02967	0.5
99.00883	0.5
100.86568	0.5
101.02412	3.1
103.09787	0.5
107.01371	0.6
107.05048	1.1
109.02954	5.4
111.04514	1.1
113.02448	1.6
117.03463	0.7
121.02946	28.7
122.71513	0.5
123.04530	7.6
123.96241	0.5
125.02438	1.3
128.17775	0.5
133.02933	1.0
135.04497	1.3
137.02422	9.4
142.48450	0.5
145.02937	2.9
149.06061	0.6
155.03499	6.7
158.03723	0.8
159.04485	4.9
161.02414	1.6
161.04544	1.2
161.05946	0.5
165.01950	0.7
171.04431	0.7
171.10272	1.8
172.03819	0.9
172.05284	14.5
173.06039	3.7
174.03156	0.6
174.06715	0.6
175.03967	3.2
183.04465	3.4
185.06100	0.9
186.03262	1.0
186.06860	0.7
187.04170	4.1
187.07619	94.0
188.04909	0.6
188.08023	2.8
189.02031	2.4
189.05547	20.0
190.06065	0.8
197.06041	1.1
199.03984	6.2
200.04773	5.0
201.05493	2.8
202.06299	1.2
203.03300	0.8
203.07257	0.6
204.04245	2.7
209.11794	3.0
211.03920	1.5
211.07629	1.7
213.05701	1.0
213.09171	10.8
214.06296	0.9
215.07098	18.8
216.07462	1.0
225.11281	0.9
227.03488	9.0
227.12857	0.6
228.04253	6.3
229.08632	5.1
231.06596	14.9
231.10191	2.0
232.03702	1.0
239.07164	0.7
245.04443	1.2
255.06662	0.5
256.47379	0.5
257.08154	100.0
258.08395	4.6
275.09286	0.9
291.19699	2.4
311.94150	0.5
339.10651	1.3
375.10818	0.8
405.11826	5.1
430.12473	0.7
439.17728	0.6
449.30524	0.5
483.16553	48.0
484.16794	4.2
491.17139	0.6
527.19360	15.7
527.26703	1.1
528.19183	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1551
Annotation	Tremulacin
Peak:m/z	Relative Intensity
59.01364	0.8
60.23936	0.3
65.03957	0.5
71.01373	0.7
81.02971	0.6
81.03448	9.0
83.05016	55.2
84.05344	0.8
85.02953	0.4
93.03431	3.7
96.95973	0.5
97.26715	0.3
99.00903	0.4
107.05016	1.4
109.02941	15.8
110.03239	0.5
111.04525	2.6
113.02437	0.5
117.01941	0.3
119.85447	0.3
121.02944	100.0
122.03289	1.7
123.04513	23.4
124.04812	0.5
127.03989	1.1
133.02953	0.6
137.02429	28.5
138.02753	0.9
155.03487	27.1
156.03833	0.5
299.07663	1.0
405.11859	21.3
406.12277	1.0
509.31354	0.3
527.15485	14.3
528.15735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.6
58.00567	2.3
59.01376	100.0
61.98818	6.2
69.03431	1.2
69.73080	2.7
69.73485	3.6
71.00983	2.5
71.01377	46.6
71.29896	1.0
71.41707	1.1
72.99303	2.5
73.02940	51.7
80.96503	1.4
83.01381	16.9
85.02958	8.8
87.00857	4.5
87.68478	1.3
89.02435	16.6
92.07734	1.2
93.03453	2.0
95.01371	4.7
95.05015	1.6
96.95999	8.7
97.02911	2.5
98.20547	1.6
98.90990	1.1
99.00871	3.0
101.02439	48.5
105.22978	1.2
107.05009	2.0
108.02152	1.5
109.02968	8.1
109.58096	1.1
111.00832	1.8
111.04541	1.1
113.02444	14.8
119.03486	4.5
121.02981	1.2
122.03765	1.8
123.04510	3.2
124.05291	1.4
125.02460	5.8
131.03499	4.6
133.02983	1.2
133.06590	13.6
135.65987	1.2
136.05273	1.7
137.02452	1.7
137.06052	3.1
139.07632	12.1
143.03456	3.0
145.02939	2.9
149.04575	2.0
149.06013	3.3
151.03987	13.4
152.01085	2.0
153.01935	1.3
161.02454	2.5
161.04546	10.2
167.03535	1.2
177.18584	1.2
179.05615	2.4
191.05611	1.2
204.11469	1.5
205.12357	3.5
217.12340	5.7
235.13338	1.9
261.11343	1.9
273.07886	1.3
285.03998	11.5
286.04578	1.2
308.73300	1.2
311.10403	2.6
313.12857	12.6
314.06277	1.1
331.13919	9.0
335.20642	8.3
359.32654	1.1
372.14227	21.7
373.15067	6.6
387.11954	3.7
394.08096	1.1
397.18503	1.9
439.19598	3.3
467.24835	38.2
468.24985	3.5
483.18652	77.3
484.19009	7.6
527.04718	2.2
527.19592	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	527.1549
Annotation	Tremulacin
Peak:m/z	Relative Intensity
51.77489	0.2
65.03951	0.3
69.31779	0.3
69.31937	0.5
69.32358	1.6
71.01360	0.3
77.03961	0.2
81.03452	8.2
83.05019	51.2
84.05363	1.1
85.02954	0.4
93.03455	3.7
93.35407	0.2
107.05040	1.1
109.02946	15.9
110.03289	0.4
111.04520	3.0
113.02437	0.5
121.02945	100.0
122.03274	2.8
123.04512	22.1
123.05462	0.5
124.04843	0.5
127.03999	0.7
133.02951	0.5
137.02431	26.7
138.02763	0.9
155.03488	26.0
156.03804	0.7
173.04694	0.3
185.12326	0.2
299.07715	0.9
377.12741	0.3
405.11841	19.1
406.12119	1.5
518.36926	0.2
527.15564	11.7
528.15973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.155
Annotation	Tremulacin
Peak:m/z	Relative Intensity
52.43762	0.3
59.01368	0.4
61.98841	0.3
65.03958	0.6
69.03450	0.3
69.28709	2.3
71.01360	0.6
74.61156	0.2
76.86955	0.3
81.03451	9.4
83.05015	53.3
83.50912	0.3
84.05342	0.9
93.03448	4.2
98.20557	0.6
98.77816	0.2
107.05006	0.9
109.02940	16.4
111.04507	3.0
113.02448	0.8
121.02941	100.0
121.73228	0.2
122.03281	2.2
123.04508	23.6
124.04852	0.6
127.03986	0.9
133.02933	0.5
136.92570	0.2
137.02428	27.1
138.02744	0.6
141.28105	0.2
144.36884	0.3
155.03481	26.6
156.03835	0.7
188.29506	0.2
191.84003	0.2
203.22615	0.2
209.11819	0.3
213.01952	0.2
235.16496	0.2
248.38902	0.2
253.09245	0.4
291.19632	2.6
299.07837	0.7
405.11844	18.5
406.12161	0.9
513.85602	0.3
527.15509	14.0
528.15900	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1552
Annotation	Tremulacin
Peak:m/z	Relative Intensity
55.01887	0.4
59.01375	3.5
61.98824	4.8
65.03938	0.6
69.03445	0.4
70.66764	0.4
70.67104	0.7
71.01387	1.9
73.02944	0.3
77.03961	0.3
81.03453	8.6
83.01345	0.4
83.05017	52.7
84.05327	0.5
85.02934	0.9
89.02434	1.4
93.03427	4.1
93.03909	0.4
96.96026	0.7
101.02454	0.8
106.66639	0.3
107.04980	0.9
108.38010	0.3
109.02940	17.2
110.03271	0.5
111.04527	3.0
113.02454	0.8
121.02943	100.0
122.03309	1.5
123.04511	25.4
125.02451	1.6
127.03999	1.1
133.02956	1.2
135.04535	0.5
137.02426	25.8
138.02769	0.6
139.04086	0.3
139.51541	0.4
145.02888	0.9
149.04570	0.6
151.00354	0.5
153.01942	0.4
155.03487	24.1
156.03839	0.4
167.71370	0.4
168.13387	0.3
177.01903	0.4
192.00626	0.8
209.11819	0.5
225.11324	0.3
226.44263	0.3
233.15405	4.1
283.46820	0.3
293.08759	0.4
299.07596	0.9
315.08731	0.7
317.00885	0.3
358.10535	0.7
405.11835	17.0
406.12033	1.1
430.08514	2.6
527.15515	11.9
527.27509	1.0
528.15918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1552
Annotation	Tremulacin
Peak:m/z	Relative Intensity
55.01868	0.2
58.92185	0.2
59.01368	0.3
61.98808	0.5
63.42498	0.2
65.03951	0.4
69.03463	0.4
69.29257	1.7
71.01376	0.5
77.03984	0.2
81.03449	9.1
83.05018	55.0
84.05348	0.8
85.02950	0.4
89.78998	0.2
92.05209	0.2
93.03453	4.0
93.09209	0.2
95.04996	0.3
98.19830	0.4
101.02383	0.2
105.03487	0.3
107.05031	1.2
108.02260	0.2
109.02941	16.6
110.03308	0.4
111.04510	3.3
113.02423	0.3
117.44113	0.2
121.02944	100.0
122.03287	2.3
123.04511	23.8
123.05438	0.5
124.04828	0.6
127.03981	0.8
133.02934	2.1
137.02431	26.9
138.02766	0.8
139.04037	0.2
155.03488	25.4
156.03815	0.6
158.57823	0.2
177.01880	0.4
179.03493	0.3
203.03429	0.2
203.77826	0.2
286.99286	0.2
299.07608	0.5
405.11862	18.3
406.12128	1.3
430.12622	1.7
527.15491	13.7
528.15924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59405	0.3
59.00426	0.4
59.01381	2.9
60.00449	0.4
61.20708	0.4
61.98814	1.7
65.47498	0.3
69.50108	2.8
71.01382	3.0
73.02955	0.5
74.99086	0.4
79.95734	10.9
80.96514	0.8
83.01390	0.5
85.02939	1.7
87.00844	0.9
89.02435	1.5
93.03439	1.6
95.01366	0.7
96.96002	100.0
99.00847	0.7
101.02412	1.3
113.02458	3.2
116.92834	0.6
119.03502	0.6
120.99634	0.9
121.02943	7.2
122.97485	0.4
123.04506	8.9
123.05354	0.7
125.02400	0.9
135.03012	0.5
135.04515	0.7
136.01675	0.4
137.02437	0.9
143.03499	0.8
147.04507	0.5
149.02477	0.5
151.03984	0.5
161.04466	0.7
163.04037	0.4
165.01901	0.5
165.05487	0.5
167.03522	0.4
180.04193	0.5
191.05563	1.1
195.06712	0.5
202.27298	0.4
203.00119	1.1
241.00235	1.0
255.08482	0.4
260.95502	0.4
297.27496	0.5
307.98807	0.3
365.05344	3.0
421.06519	1.0
527.10663	88.5
528.11090	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	527.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62933	0.9
54.34849	0.7
57.03445	10.2
59.01372	12.9
60.57830	0.9
61.98825	33.8
69.03421	1.1
71.01375	12.6
71.62659	0.9
72.99275	2.4
73.02919	2.3
78.98573	0.8
79.51295	0.7
79.95692	2.3
80.96508	6.2
81.03437	0.8
83.01334	2.8
83.04984	0.8
85.02941	3.9
87.00851	1.9
87.02692	1.0
89.02441	6.5
91.05483	1.1
93.03454	3.8
94.98035	1.8
95.01340	1.5
95.05023	7.9
96.96003	34.1
97.02937	16.6
98.95532	2.1
99.00881	8.3
101.02433	6.4
108.26766	0.9
109.02895	2.8
111.04450	1.0
113.02448	7.9
115.04011	1.4
117.01878	1.9
119.03475	1.9
119.05014	11.5
121.02935	8.0
123.00818	0.9
123.04466	1.9
125.02434	95.2
126.02737	1.7
133.02885	2.5
135.04507	5.1
137.02351	1.7
137.06050	3.8
138.97011	1.8
139.04001	17.9
141.01938	4.7
143.03395	1.1
145.02887	1.9
149.06052	0.7
151.00284	1.7
151.03894	1.1
152.01045	1.6
157.04980	1.0
161.02379	1.6
161.05962	1.8
163.03996	32.3
164.04242	1.3
164.98505	0.9
165.01794	1.1
167.03389	1.1
170.23065	0.7
175.03949	0.8
177.05391	1.1
179.03346	1.5
181.05006	2.2
191.05553	1.1
195.06450	1.2
203.06987	2.2
205.03169	1.3
205.04919	3.3
207.02951	18.9
223.05952	1.3
225.00568	1.9
225.04033	8.7
241.00217	7.7
249.03825	1.6
267.04974	1.5
284.03006	1.5
285.04062	23.0
285.07062	1.8
286.04071	0.9
299.04352	1.0
319.10254	7.4
327.07019	2.4
335.20523	0.9
365.05411	1.4
369.07910	1.3
387.08917	2.9
397.39511	0.9
401.10831	3.9
447.09128	5.4
465.13776	4.0
467.24728	1.3
483.14755	2.9
489.09967	1.1
509.12463	1.9
527.05396	3.6
527.13605	100.0
528.14081	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	526.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.3
61.98823	21.2
71.62872	3.5
83.15873	2.1
91.77563	2.0
99.98291	2.0
102.83923	2.1
103.66919	2.0
125.02430	100.0
135.46066	2.2
176.86824	2.0
236.90488	2.3
455.13245	2.3
463.26984	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	527.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28609	0.3
59.01372	1.0
61.98817	1.5
70.51886	1.2
71.01382	0.7
73.02956	0.4
79.95726	12.7
80.96500	1.0
85.02905	0.5
87.00867	0.4
89.02425	0.6
93.03430	1.0
95.95253	0.9
96.95997	100.0
98.20524	0.5
101.02405	0.6
107.05034	0.5
113.02415	0.6
121.02931	3.9
123.04519	2.9
125.02431	0.7
135.02965	0.4
135.04446	0.7
138.97032	2.5
203.00143	1.8
203.08298	0.4
221.06601	0.4
241.03955	0.3
301.92188	0.3
365.05246	0.6
385.37729	0.4
403.05157	0.4
421.06595	1.7
485.17114	0.4
527.10657	81.4
528.10974	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	527.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25583	0.4
56.75544	0.4
59.01384	1.8
61.98813	1.7
65.45034	0.3
68.62055	0.4
71.01376	1.5
71.32501	0.7
75.00848	0.5
79.95731	8.3
80.96503	0.6
82.47265	0.5
82.95409	4.3
85.02928	0.5
87.00871	1.0
88.98827	0.5
89.02426	1.0
91.26352	0.3
93.03475	1.4
96.96001	100.0
101.02428	1.5
107.05001	0.5
113.02430	0.9
115.00358	0.8
119.03464	0.5
121.02950	4.0
123.04528	4.3
125.02464	2.2
135.02966	0.8
137.02469	0.8
138.97058	1.3
146.08232	0.8
151.03972	0.8
161.04552	0.4
165.05566	1.1
167.03413	0.6
175.02466	2.0
191.05539	0.5
199.39963	0.4
203.00208	1.2
209.04539	0.4
250.86664	0.4
296.91522	0.4
365.05377	0.6
403.53528	0.4
421.06570	0.8
426.45547	0.4
527.10687	68.7
528.10980	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	526.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.0
59.13731	0.4
61.98825	18.3
63.99277	1.6
65.71930	0.5
66.93535	0.4
69.74925	2.6
71.01377	23.8
71.05017	4.0
72.01774	0.6
73.02982	1.1
83.01406	0.7
85.02998	1.7
87.00897	0.6
88.04044	3.2
89.02430	5.2
90.46654	0.5
93.03476	0.9
95.01398	0.6
96.96003	9.3
96.96563	0.6
99.04573	1.0
101.02441	5.9
101.03052	0.5
110.99074	0.5
113.02447	3.8
113.72980	0.4
116.03556	1.1
116.07210	1.1
117.03458	10.9
117.04235	0.7
119.03546	2.0
119.05006	8.8
119.05773	0.7
120.05405	0.5
125.02521	0.6
128.07161	2.2
129.05583	0.5
135.04561	0.5
138.98621	0.4
143.03589	0.5
145.02945	43.1
146.03337	0.9
146.08220	53.4
147.08575	1.3
156.86040	0.5
160.01665	0.5
161.04604	1.0
161.06113	0.5
163.03989	11.7
164.04378	0.8
165.97304	0.8
166.98038	2.3
167.98431	0.8
175.04031	1.2
200.09332	1.6
218.10332	0.9
243.06671	1.1
244.06943	0.9
263.11276	1.2
308.13525	6.3
362.14578	2.7
380.15570	100.0
381.15939	4.8
406.12000	0.6
438.09384	0.9
454.17096	1.7
463.11032	0.7
491.11783	0.6
508.17648	0.8
526.19171	69.6
527.19666	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	526.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75681	0.4
59.01373	8.5
59.90147	0.4
61.98878	3.9
65.86505	0.4
69.67023	2.7
71.00995	1.2
71.01376	23.4
71.05016	3.5
72.01761	0.6
72.99335	0.5
73.02984	1.0
78.65652	0.5
79.95795	1.7
82.76743	0.4
83.01419	0.8
85.03008	1.6
87.00913	0.8
88.04031	3.0
89.02436	4.6
93.03488	0.6
95.01443	0.8
96.77683	0.5
96.96002	44.4
97.95988	1.0
98.95654	3.0
98.96467	0.5
99.04527	1.1
101.02444	5.3
109.03008	0.6
113.02423	2.4
116.03607	0.8
116.07213	0.8
117.03452	10.7
119.03597	1.9
119.05003	9.6
120.99651	0.6
125.02486	0.7
128.07272	1.6
129.05647	0.7
135.04500	0.5
137.02519	1.6
138.02849	0.5
141.31693	0.4
145.02937	43.5
146.03337	1.1
146.08214	54.2
147.04568	0.8
147.08606	0.9
159.63956	0.5
161.02544	0.5
161.04686	1.0
161.06136	1.0
163.03981	11.4
174.11395	0.6
191.05521	0.7
200.09322	1.7
205.05212	0.6
218.10515	1.2
239.75218	0.5
241.00102	0.5
263.11179	0.7
265.07358	0.6
308.13461	5.7
347.78067	0.5
362.14713	1.8
365.19550	0.5
380.15561	100.0
381.15961	6.6
454.17047	1.5
507.23352	0.6
525.80347	0.6
526.19092	49.5
527.19250	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	526.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
61.98824	21.5
65.00313	1.1
70.04685	2.2
70.05100	1.6
71.01363	1.2
77.23543	0.7
80.96509	1.5
96.96005	1.4
98.20651	1.1
107.01374	2.0
108.02151	1.7
109.02931	1.7
121.02933	1.6
148.01631	1.0
151.00354	10.5
163.00414	2.1
164.01158	0.9
178.99840	5.8
211.04016	1.1
215.03307	0.8
227.03471	2.1
243.02924	6.3
245.04446	0.7
254.02043	1.9
255.02962	17.8
256.03326	1.3
259.64185	0.8
271.02438	42.6
272.02911	2.9
281.33780	0.7
283.02472	1.1
285.04047	1.1
299.01950	1.3
300.02713	82.2
301.03467	41.7
302.03830	2.3
463.08759	100.0
464.09039	8.0
468.89941	0.8
527.18103	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	526.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00779	0.7
56.11174	0.8
59.01375	3.4
61.98820	3.9
71.01397	1.7
71.62655	1.6
74.99062	0.9
83.01389	1.5
85.02956	1.1
89.02464	1.2
96.96003	3.4
101.02454	0.9
107.01396	0.9
121.02976	1.0
125.02465	1.8
127.08768	0.7
131.07108	2.6
132.30005	0.8
149.02383	2.3
151.00319	2.0
163.04031	0.9
173.08212	0.7
181.19521	0.7
191.03644	0.8
191.05693	0.9
209.61096	0.9
255.02892	1.0
272.03281	4.0
300.02728	49.6
301.03491	48.5
302.03717	1.7
463.08771	100.0
464.09174	6.7
465.27109	1.0
525.28857	0.9
545.16406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92993	0.8
57.03429	1.8
59.01365	7.4
61.98823	100.0
68.27017	0.9
71.01374	2.8
71.63177	1.0
81.03439	4.9
83.01395	2.1
83.05019	2.6
87.87571	1.0
89.02435	1.0
93.03490	2.1
94.38461	0.8
101.02402	1.5
108.02187	1.2
109.02953	2.7
111.04529	1.0
119.05121	1.0
121.02921	4.7
122.03799	1.1
125.02431	13.9
126.02750	1.9
133.03032	1.0
137.02449	6.5
138.02776	1.1
145.02942	3.1
149.02431	1.5
153.01926	4.2
154.02277	1.6
160.75154	0.9
161.02448	1.1
162.06870	1.1
163.03989	1.8
193.15816	1.3
211.13365	1.2
233.19023	1.9
235.16933	2.1
237.14812	1.0
255.02831	1.4
265.06918	1.2
266.07474	1.1
276.20474	1.3
284.39188	0.9
301.18182	1.1
307.08258	0.9
311.82782	1.0
319.19095	3.8
320.19312	2.7
335.02472	0.9
363.18100	48.9
364.13821	1.9
364.18396	38.4
365.18427	1.5
410.54517	1.1
436.29282	0.9
488.19916	1.7
526.24274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02344	0.5
50.83063	0.6
59.01373	7.7
59.52439	0.5
59.57366	0.5
61.98829	1.4
63.02404	1.2
71.01373	6.6
71.62645	0.6
72.99297	0.9
73.02943	1.6
75.00871	0.9
75.84708	0.5
79.95644	0.5
83.01378	1.6
85.02940	4.7
87.00887	1.4
89.02431	5.0
90.02760	0.6
95.01374	1.0
95.24252	0.5
96.96002	3.6
99.00860	1.1
101.02427	3.7
107.01417	1.2
113.02435	3.4
119.03490	0.8
121.02917	0.9
131.03455	1.9
133.02934	4.4
137.02406	1.1
144.53754	0.5
149.02339	0.9
149.04533	2.6
151.00348	3.0
161.04506	1.0
175.04013	2.4
183.10217	1.0
185.06020	0.8
199.03972	2.5
201.01973	0.6
209.22778	0.6
209.25398	0.5
213.05457	0.7
217.05028	1.2
241.04958	1.1
267.03006	0.7
285.04010	100.0
286.04349	5.3
295.24112	0.5
307.71719	0.6
327.05054	1.7
357.06064	0.9
461.07184	39.8
462.07385	2.8
463.21725	1.0
464.22183	2.2
465.23526	3.9
545.66266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98825	100.0
70.15466	0.7
71.01401	0.3
71.20834	0.2
73.02918	0.2
84.03322	0.2
85.02957	0.2
88.98806	0.3
89.02445	0.5
94.91628	0.2
96.96037	0.5
109.33809	0.2
113.02471	0.2
118.30438	0.2
123.04516	0.2
125.02534	0.2
133.02968	0.2
135.04448	0.2
137.02463	0.2
139.30409	0.2
145.02942	0.2
152.07153	0.2
160.01703	0.4
166.98032	0.4
172.81007	0.2
175.04025	0.4
177.01953	0.2
255.02911	2.7
255.05377	0.2
283.02481	2.0
284.03250	0.4
285.04080	0.5
297.04077	0.4
298.04828	0.7
299.05753	0.5
405.25433	0.2
446.08505	1.2
461.10880	5.4
462.11313	0.3
463.22177	0.2
492.18079	0.4
524.22119	0.3
525.24005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01095	0.2
59.01373	2.4
59.43820	0.1
59.45247	0.2
61.98828	0.8
69.70510	0.9
71.01373	4.6
71.05012	0.6
73.02949	0.3
78.95885	0.6
79.95736	3.3
83.01408	0.2
85.02943	0.4
87.00870	0.4
88.04021	0.5
89.02439	1.3
93.03439	1.6
96.96001	100.0
97.95919	0.3
99.04502	0.3
101.02440	1.4
108.02245	0.2
109.00047	0.2
111.04520	0.2
113.02459	0.8
117.03438	1.7
119.03488	0.5
119.05011	1.2
119.19482	0.2
120.99636	1.4
121.02910	0.3
122.99211	0.2
123.04523	0.5
125.02388	0.4
128.07141	0.3
135.04517	0.3
136.01640	0.5
137.02425	3.4
145.02940	5.6
146.08212	6.5
149.02353	0.2
149.04543	0.2
150.03195	0.3
151.03989	0.3
152.07224	0.3
161.02414	0.3
161.04549	0.5
161.05933	0.3
163.04012	1.5
164.04831	0.2
165.05521	0.5
179.03467	1.4
181.73091	0.2
187.07625	0.2
191.05589	0.4
205.05016	0.3
209.46570	0.2
221.08221	0.2
223.06061	0.3
239.05630	0.9
265.07080	0.7
271.06152	0.3
285.03998	0.4
308.13504	0.6
319.10175	0.2
362.14465	0.3
380.15546	12.5
454.17056	0.2
464.21936	0.3
465.22748	0.6
489.10226	0.2
493.18491	0.2
508.20001	0.2
524.20477	0.2
525.23627	4.3
526.19128	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	523.2182
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03446	0.3
59.01376	2.2
66.28205	0.3
70.90057	0.4
70.90385	0.4
71.01372	2.6
73.02936	0.9
83.01382	0.4
85.02923	1.1
87.00928	0.3
88.98774	0.4
89.02418	1.7
93.03453	1.4
96.95991	0.6
99.00854	0.4
101.02451	1.9
108.02120	0.5
109.02939	4.6
113.02443	1.1
121.02940	12.7
122.03729	10.8
123.04572	1.6
124.01643	1.0
125.02414	0.5
129.03439	0.6
134.03702	0.7
135.04538	2.0
136.05273	1.1
137.02420	2.2
137.05966	0.3
143.68611	0.3
146.03706	0.6
147.04498	5.0
148.05240	0.6
149.06041	1.1
151.00331	0.7
154.02679	1.0
160.05254	0.6
161.04628	0.6
161.06024	1.8
162.06792	0.3
163.04016	0.6
164.04723	0.8
165.05545	23.1
166.05862	0.7
169.01395	0.7
173.05983	0.4
175.07585	0.6
177.05432	0.4
178.06262	0.7
179.07095	7.7
180.00989	0.3
191.05534	0.4
191.07094	0.6
193.08601	0.3
209.08144	1.1
223.09688	1.0
285.11179	0.5
298.12100	0.7
301.10803	0.6
313.14490	1.3
315.12347	1.6
316.12888	0.6
329.13647	0.5
331.14639	0.7
343.15457	0.4
345.13605	0.4
346.14145	9.5
347.14493	0.6
361.16507	100.0
362.16837	6.8
385.96661	0.3
388.89108	0.3
442.31238	0.3
463.21689	4.7
523.20776	0.8
523.27972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05611	0.8
59.01360	2.5
61.25232	0.8
64.86982	0.7
65.22986	0.7
78.95896	24.4
86.57057	0.7
96.96007	2.4
96.96943	2.9
113.09734	2.6
117.38678	0.8
141.79185	0.8
150.97835	0.9
152.99577	33.7
162.72719	0.8
171.00604	1.8
171.10216	1.1
179.03557	0.8
194.83702	0.9
195.13887	18.3
207.44159	0.9
227.03328	5.1
245.04332	1.7
277.21683	17.5
295.22751	73.0
296.23148	2.6
328.69604	0.8
523.26685	100.0
524.26917	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	523.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01371	11.1
61.98813	8.3
66.68664	1.4
69.03448	2.2
70.20960	1.5
70.36118	1.6
71.01373	2.4
71.62834	1.5
73.02902	1.9
77.43348	1.5
81.03448	15.0
83.01364	3.9
83.05016	92.6
93.03445	32.9
95.01381	3.5
96.96003	3.2
109.02940	16.8
111.04505	100.0
112.04801	1.8
121.02927	3.4
125.02434	11.8
133.02925	3.0
134.03775	1.9
137.01431	1.9
137.02437	24.9
145.02960	7.6
146.03720	1.8
149.02448	2.3
151.03963	2.8
151.07660	2.5
155.03476	33.8
159.04446	6.9
161.02412	3.4
165.00432	1.3
165.01894	6.3
171.04434	1.8
172.05229	3.5
179.03546	2.6
183.04430	6.9
185.02400	2.5
186.03300	1.7
195.06552	5.4
197.06018	5.1
199.03960	10.7
200.04663	4.0
201.05565	3.3
209.11932	2.8
213.05533	3.6
219.06606	2.7
225.05573	8.8
226.06210	8.6
227.03468	4.7
241.05009	11.4
242.05688	6.1
243.06454	3.2
253.05121	2.6
255.02867	3.3
269.04504	21.7
270.05270	22.5
271.05951	4.2
306.57697	1.8
339.11996	3.2
341.23517	2.1
367.11749	22.8
491.16635	2.3
523.25488	2.0
523.32599	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	523.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47878	0.6
55.01867	0.9
59.01362	1.3
61.98817	1.9
71.19012	0.8
78.95898	2.1
83.44488	0.6
85.77623	0.5
105.03443	7.9
115.40992	0.6
119.05017	20.9
120.05374	0.6
123.04513	1.7
137.06059	2.0
149.02434	9.6
152.99577	1.9
163.03992	100.0
164.04295	3.0
167.03471	8.9
181.05043	63.9
182.05357	2.5
189.88547	0.6
190.27635	0.7
190.45406	0.5
195.13884	1.0
224.59294	0.7
232.52719	0.6
277.21677	0.7
295.22842	4.0
373.12900	17.4
523.26428	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	523.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88191	0.4
57.03437	0.5
59.01362	3.2
61.98811	3.0
70.82613	0.4
70.82968	0.8
71.01380	1.1
72.99297	0.5
73.02932	0.5
81.03432	1.0
82.65509	0.4
83.05012	3.6
85.02943	0.7
87.04506	0.6
87.35051	0.4
89.02425	0.7
93.03447	2.1
95.01378	0.4
96.96008	1.2
101.02404	0.9
109.02948	1.7
111.04506	5.3
115.07626	2.0
117.03429	0.5
118.00177	0.4
119.91930	0.4
120.99641	100.0
121.02950	1.7
121.84572	0.3
121.99928	0.4
123.04541	2.5
123.05300	0.5
125.02436	0.8
137.02429	1.7
145.02855	0.7
145.52554	0.4
147.04488	0.4
155.03432	1.1
157.05006	1.3
160.01651	0.9
163.06157	0.6
165.01915	0.5
167.03540	0.6
175.04041	0.8
179.03464	0.5
185.82133	0.4
192.99535	0.5
208.02048	0.5
223.04192	0.7
241.05243	1.4
269.04553	0.8
270.05215	0.9
285.04214	0.5
287.44620	0.4
339.12341	0.8
351.95331	0.4
367.11810	1.5
374.52682	0.4
416.67880	0.4
426.15121	1.8
442.76617	0.4
459.73593	0.4
462.76819	0.4
463.25565	0.7
523.22955	0.6
523.32825	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63271	0.8
59.01368	1.1
61.98817	2.3
63.89151	0.8
65.43470	0.9
68.99588	0.9
69.12831	0.7
69.24751	7.4
82.78296	0.8
88.13109	0.9
98.19826	1.9
99.92556	11.1
104.61314	0.9
116.92847	100.0
117.01915	1.2
117.92850	2.6
179.54802	1.0
220.23051	0.9
303.61533	0.9
405.25763	0.9
449.23767	1.0
522.77679	1.0
523.37555	0.8
543.16492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
59.01371	10.0
60.99295	1.7
61.98823	3.9
69.42438	6.0
71.01374	7.9
72.99317	1.6
73.02940	3.0
75.00868	7.4
77.31635	0.6
79.95719	0.8
81.03439	0.6
83.01392	1.7
83.05009	1.0
85.02947	4.7
87.00900	1.6
88.98800	10.1
89.02438	4.3
89.03954	0.9
93.03439	1.7
95.01370	0.7
96.96001	3.4
99.00850	1.1
101.02438	6.0
103.66198	0.7
105.01923	1.6
106.04328	0.8
108.02166	2.9
109.02940	2.3
110.03246	0.9
111.04502	0.9
113.02440	2.8
117.03470	1.8
119.03506	1.4
119.05006	1.6
121.02947	1.5
123.04524	1.3
125.02436	2.1
125.09716	1.9
132.02165	15.0
133.02950	3.4
134.03728	20.5
135.04527	2.0
137.02415	4.7
145.02948	2.5
147.04552	1.3
149.02519	0.9
149.06120	3.2
149.09692	4.9
150.03200	1.3
151.03976	1.6
152.01164	2.5
153.01802	1.4
154.01622	0.8
160.01640	80.3
161.02254	3.1
161.04518	1.0
161.52708	0.8
162.03195	1.0
163.03973	1.4
165.05547	2.0
167.10818	1.1
175.03986	87.9
176.04422	3.1
176.07121	0.9
177.01912	1.3
177.05493	1.7
178.02759	0.8
179.03470	1.8
179.07031	0.8
181.05002	0.8
188.03505	2.1
191.03462	2.1
191.05556	1.5
191.07112	1.8
193.05028	25.6
194.05400	1.0
195.06595	1.1
219.06750	1.1
220.06143	1.9
235.06148	3.3
265.07095	0.9
285.04166	1.3
295.08249	1.1
337.09412	2.3
361.29199	1.1
362.11469	0.8
426.15295	4.0
479.18231	1.9
505.21024	1.1
522.33600	1.4
523.21887	100.0
523.33252	9.8
524.22180	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39395	1.1
54.29217	1.2
57.03425	1.2
59.01369	11.3
61.98829	8.9
67.84444	1.3
69.03457	1.6
71.01379	2.0
74.00900	1.2
81.03450	8.0
83.01362	2.3
83.05018	33.8
87.00848	1.5
87.64501	1.2
89.02433	1.8
93.03441	28.4
95.01379	4.4
96.76526	1.1
96.95996	2.5
97.06567	1.3
101.02431	2.5
103.16341	1.2
108.02142	3.5
109.02937	26.6
111.00855	1.6
111.04510	100.0
112.04829	2.4
117.03466	1.7
121.02926	3.9
122.03743	2.0
124.01699	3.1
125.02435	8.1
127.03951	1.6
133.02963	2.0
135.04504	1.4
137.02437	13.4
145.02930	7.4
147.04494	1.5
149.02458	2.7
151.03958	2.9
155.03493	10.7
159.04382	2.3
160.01590	1.6
161.02405	2.5
164.01065	1.6
165.01930	10.4
172.05289	2.4
175.03987	1.7
183.04480	3.8
184.05276	1.4
185.06004	1.6
186.03226	1.5
197.06033	4.0
198.06775	1.3
199.03954	4.6
200.04778	2.4
201.05508	4.1
209.05913	2.1
213.05533	3.4
225.05563	4.4
226.06378	6.2
227.03429	2.0
227.09253	1.3
241.05037	11.0
242.05788	5.1
253.04901	1.9
259.05984	2.0
269.04550	12.4
270.05304	15.7
271.05780	2.5
285.04022	1.8
288.06393	1.9
317.49506	1.3
339.12317	12.1
363.08728	1.6
367.11783	36.7
368.12149	2.1
385.12833	2.0
411.10739	3.3
481.31750	1.5
491.17813	1.5
505.31158	1.9
523.32849	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	523.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99482	1.5
53.78604	1.6
57.03443	10.8
59.01371	8.1
61.98816	17.2
71.01385	10.5
73.02930	2.0
75.00858	8.5
80.96515	19.8
81.03454	4.8
83.01391	12.8
83.05022	5.3
85.02959	4.9
89.02443	4.0
93.03442	11.1
94.98088	4.5
96.95992	4.7
97.02950	3.6
97.89266	1.5
98.20660	2.4
101.02429	3.9
105.13002	1.7
107.04986	3.9
108.02167	9.1
109.02950	14.5
111.04501	16.7
113.02445	1.7
113.55802	1.7
117.03441	13.4
119.05018	10.3
121.02957	3.4
121.41946	1.5
122.03729	1.9
122.97567	1.9
123.00826	1.5
123.04508	2.7
124.01601	2.9
125.02431	70.8
132.02147	5.5
132.05743	2.2
133.02917	9.7
134.03740	6.2
135.04524	2.9
137.02432	100.0
138.02769	2.2
139.03999	3.6
145.02946	39.1
145.04077	2.4
146.03757	7.8
147.04483	1.8
148.99161	3.1
149.02423	3.7
149.06052	2.5
150.06779	2.3
151.03998	14.4
152.01106	7.3
152.98651	2.5
153.01923	4.2
157.06668	2.0
159.04475	7.6
160.01660	20.3
160.05318	1.9
161.02400	3.0
161.06058	6.4
162.03122	2.0
163.03966	19.1
164.01131	5.3
164.98610	3.9
165.01903	26.0
167.03499	6.3
172.05280	4.9
173.06027	6.5
174.03212	3.5
174.06839	2.4
175.03986	29.3
175.07607	11.8
177.01936	4.3
177.05623	3.1
179.03484	3.9
183.04495	3.5
185.06030	5.9
185.09659	1.9
186.06783	4.4
187.04021	2.7
187.07594	12.6
189.09076	2.6
191.03456	3.4
192.04250	5.9
193.05067	8.3
199.03990	2.7
199.07578	1.8
200.04782	7.4
201.05577	9.9
201.09137	4.9
202.06288	6.6
203.07103	9.5
204.04201	2.8
205.05058	9.0
211.03932	3.3
211.07605	1.6
213.05592	8.7
213.09065	3.4
214.06230	2.5
215.07127	6.9
217.08679	6.1
225.00713	4.4
225.05563	2.3
226.06242	2.1
227.03473	5.4
227.07129	3.3
229.05234	1.7
229.08640	26.1
231.06421	1.7
231.10242	2.6
235.06070	4.0
239.03418	4.7
239.10704	2.1
240.04257	3.1
240.07739	1.6
241.05037	6.5
241.08673	26.0
243.06442	3.2
245.08086	3.9
247.09694	3.5
251.07040	2.1
255.06689	2.0
255.10220	2.2
257.08234	1.7
265.06964	4.5
266.02234	1.7
267.02878	5.7
267.06003	1.8
269.04544	2.5
270.05316	2.7
274.02734	1.8
279.03036	1.6
281.08612	1.7
281.11801	5.6
283.09698	5.1
294.08984	3.0
299.12891	3.7
320.06845	4.5
323.09485	2.3
323.12708	7.9
325.10684	3.6
349.10742	20.5
367.11850	29.0
368.12354	2.7
385.12964	10.6
387.40793	2.1
393.09662	3.0
411.10913	4.4
426.15213	2.6
443.14783	2.9
453.02765	1.8
469.12714	7.7
487.14496	2.5
487.19727	42.6
488.20422	2.4
505.15100	2.9
523.18744	39.9
523.33356	5.1
524.18854	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	521.3475
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
58.00566	0.7
59.01358	0.7
61.98809	0.3
70.76736	0.6
72.99267	0.2
108.36871	0.2
125.47977	0.2
146.28209	0.2
276.53317	0.3
371.33115	0.3
400.32483	0.2
401.34390	0.4
425.30225	0.3
459.34799	0.8
461.32867	1.0
475.34302	1.7
477.35846	2.1
478.36087	0.2
503.33630	0.6
521.34747	100.0
522.35071	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	521.3479
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
57.03481	0.2
67.70412	0.2
70.36938	0.6
71.05066	0.3
72.99341	0.6
73.02962	0.3
85.24534	0.2
92.54521	0.2
101.22390	0.2
135.11861	0.3
138.39632	0.2
146.24725	0.2
152.99619	0.2
193.94830	0.2
198.32520	0.2
231.17574	0.7
233.19112	1.8
245.51527	0.2
271.20718	0.5
273.22241	0.4
285.22226	0.4
353.28540	0.4
355.29959	2.4
357.31595	0.3
367.29904	2.0
369.31549	1.5
371.33194	0.7
383.29254	0.2
385.31186	0.2
393.32068	0.2
395.29694	0.3
409.31076	1.3
411.32764	0.5
413.34467	1.7
429.33685	2.3
431.35321	0.3
439.32120	0.2
457.33420	0.9
459.34747	8.3
460.35147	0.7
461.32626	0.3
475.34247	27.6
476.34650	2.1
477.35602	1.3
485.32587	0.4
503.33749	15.9
504.34094	1.8
521.34772	100.0
522.35126	9.2
522.43109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73193	0.3
50.89691	0.3
61.98826	100.0
70.34386	0.9
82.42373	0.3
82.56551	0.3
87.18570	0.3
98.19918	0.3
128.82298	0.3
139.41310	0.3
196.65332	0.3
272.21957	0.3
305.19656	0.3
459.38565	0.6
END